*HEADER    PROTEIN TRANSPORT                       10-JUL-07   2JSN              
*TITLE     SOLUTION STRUCTURE OF THE ATYPICAL PDZ-LIKE DOMAIN OF                 
*TITLE    2 SYNBINDIN                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 4;            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 19-106;                         
*COMPND   5 SYNONYM: SYNBINDIN, TRS23 HOMOLOG, HEMATOPOIETIC                     
*COMPND   6 STEM/PROGENITOR CELL PROTEIN 172;                                    
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: TRAPPC4, SBDN;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET28                                      
*KEYWDS    PROTEIN INTERACTION, PROTEIN TRANSPORT                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.FENG, S.FAN, W.GONG, B.XIA                                          
*REVDAT   1   15-JUL-08 2JSN    0                                                


all.rst0000744000372100000240000176070310452207062011163 0ustar  fenggames#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3=200.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA2 HA3
 &rst iat=20,25,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=29,34,32,33, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=27,42,30,31, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=46,51,49,50, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=44,59,47,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=63,68,66,67, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=61,76,64,65, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=80,85,83,84, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=78,93,81,82, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=97,102,100,101, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=95,110,98,99, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=114,119,117,118, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=112,127,115,116, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=131,136,134,135, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=133,138,142,137, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=129,146,132,133, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=150,155,153,154, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=148,158,151,152, &end
#
#  chirality for residue 11 atoms:  CA OG HB2 HB3
 &rst iat=162,167,165,166, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=160,169,163,164, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=173,178,176,177, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=171,190,174,175, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=192,200,195,196, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=212,206,210,211, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=209,203,207,208, &end
#
#  chirality for residue 14 atoms:  CG N HD2 HD3
 &rst iat=206,202,204,205, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=202,214,213,209, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=218,223,221,222, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=220,226,224,225, &end
#
#  chirality for residue 15 atoms:  CG NE HD2 HD3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=216,238,219,220, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=240,248,243,244, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=252,257,255,256, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=254,260,258,259, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=250,263,253,254, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=265,273,268,269, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=277,282,280,281, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=279,285,283,284, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=275,288,278,279, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=292,297,295,296, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=294,300,298,299, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=300,306,304,305, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=297,303,301,302, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=290,310,293,294, &end
#
#  chirality for residue 21 atoms:  CA CG2 OG1 HB
 &rst iat=314,318,322,317, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=312,324,315,316, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=328,333,331,332, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=326,344,329,330, &end
#
#  chirality for residue 23 atoms:  CA OG HB2 HB3
 &rst iat=348,353,351,352, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=346,355,349,350, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=359,364,362,363, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=357,376,360,361, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=388,382,386,387, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=385,379,383,384, &end
#
#  chirality for residue 25 atoms:  CG N HD2 HD3
 &rst iat=382,378,380,381, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=378,390,389,385, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=396,401,405,400, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=392,409,395,396, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=411,421,414,415, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=427,432,436,431, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=423,440,426,427, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=444,449,447,448, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=446,451,455,450, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=442,459,445,446, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=465,470,474,469, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=461,478,464,465, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=482,487,485,486, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=484,490,488,489, &end
#
#  chirality for residue 31 atoms:  CD NZ HE2 HE3
 &rst iat=490,496,494,495, &end
#
#  chirality for residue 31 atoms:  CG CE HD2 HD3
 &rst iat=487,493,491,492, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=480,500,483,484, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=504,509,507,508, &end
#
#  chirality for residue 32 atoms:  CB CD1 CD2 HG
 &rst iat=506,511,515,510, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=502,519,505,506, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=521,536,524,525, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=538,548,541,542, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=552,557,555,556, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=554,560,558,559, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=550,563,553,554, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=567,572,570,571, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=569,575,573,574, &end
#
#  chirality for residue 36 atoms:  CG NE HD2 HD3
 &rst iat=572,578,576,577, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=565,587,568,569, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=591,595,599,594, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=589,603,592,593, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=607,612,610,611, &end
#
#  chirality for residue 38 atoms:  CB CD1 CD2 HG
 &rst iat=609,614,618,613, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=605,622,608,609, &end
#
#  chirality for residue 39 atoms:  CA CG1 CG2 HB
 &rst iat=626,630,634,629, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=624,638,627,628, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=640,648,643,644, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=652,657,655,656, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=650,668,653,654, &end
#
#  chirality for residue 42 atoms:  N C HA2 HA3
 &rst iat=670,675,673,674, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=679,684,682,683, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=681,687,685,686, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=677,692,680,681, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=696,701,699,700, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=698,704,702,703, &end
#
#  chirality for residue 44 atoms:  CG NE HD2 HD3
 &rst iat=701,707,705,706, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=694,716,697,698, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=720,725,723,724, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=718,728,721,722, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=730,735,733,734, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=739,743,747,742, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=741,750,748,749, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=737,754,740,741, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=758,763,761,762, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=760,766,764,765, &end
#
#  chirality for residue 48 atoms:  CG NE HD2 HD3
 &rst iat=763,769,767,768, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=756,778,759,760, &end
#
#  chirality for residue 49 atoms:  CA CG1 CG2 HB
 &rst iat=782,786,790,785, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=780,794,783,784, &end
#
#  chirality for residue 50 atoms:  N C HA2 HA3
 &rst iat=796,801,799,800, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=805,810,808,809, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=803,818,806,807, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=820,828,823,824, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=832,836,840,835, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=830,844,833,834, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=848,853,851,852, &end
#
#  chirality for residue 54 atoms:  CB CD1 CD2 HG
 &rst iat=850,855,859,854, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=846,863,849,850, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=865,873,868,869, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=877,881,885,880, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=879,888,886,887, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=875,892,878,879, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=894,906,897,898, &end
#
#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=908,913,911,912, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=917,922,920,921, &end
#
#  chirality for residue 59 atoms:  CB SD HG2 HG3
 &rst iat=919,925,923,924, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=915,930,918,919, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=932,942,935,936, &end
#
#  chirality for residue 61 atoms:  CA CG1 CG2 HB
 &rst iat=946,950,954,949, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=944,958,947,948, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=962,967,965,966, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=960,972,963,964, &end
#
#  chirality for residue 63 atoms:  N C HA2 HA3
 &rst iat=974,979,977,978, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=983,988,986,987, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=985,991,989,990, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=988,994,992,993, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=981,1003,984,985, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1007,1012,1010,1011, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1005,1024,1008,1009, &end
#
#  chirality for residue 66 atoms:  CA CG2 OG1 HB
 &rst iat=1028,1032,1036,1031, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1026,1038,1029,1030, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1040,1048,1043,1044, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1052,1057,1055,1056, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1050,1060,1053,1054, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1062,1067,1065,1066, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1071,1076,1074,1075, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1073,1079,1077,1078, &end
#
#  chirality for residue 70 atoms:  CD NZ HE2 HE3
 &rst iat=1079,1085,1083,1084, &end
#
#  chirality for residue 70 atoms:  CG CE HD2 HD3
 &rst iat=1076,1082,1080,1081, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1069,1089,1072,1073, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1093,1098,1096,1097, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1095,1101,1099,1100, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1091,1104,1094,1095, &end
#
#  chirality for residue 72 atoms:  CA CG1 CG2 HB
 &rst iat=1108,1112,1116,1111, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1106,1120,1109,1110, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1124,1129,1127,1128, &end
#
#  chirality for residue 73 atoms:  CB CD1 CD2 HG
 &rst iat=1126,1131,1135,1130, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1122,1139,1125,1126, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1143,1148,1146,1147, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=1145,1151,1149,1150, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1141,1154,1144,1145, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1158,1163,1161,1162, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1156,1175,1159,1160, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1179,1184,1182,1183, &end
#
#  chirality for residue 76 atoms:  CB CD1 CD2 HG
 &rst iat=1181,1186,1190,1185, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1177,1194,1180,1181, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1196,1201,1199,1200, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1205,1210,1208,1209, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1203,1215,1206,1207, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1227,1221,1225,1226, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1224,1218,1222,1223, &end
#
#  chirality for residue 79 atoms:  CG N HD2 HD3
 &rst iat=1221,1217,1219,1220, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1217,1229,1228,1224, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1231,1239,1234,1235, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1241,1253,1244,1245, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1257,1262,1260,1261, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1255,1274,1258,1259, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1286,1280,1284,1285, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1283,1277,1281,1282, &end
#
#  chirality for residue 83 atoms:  CG N HD2 HD3
 &rst iat=1280,1276,1278,1279, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1276,1288,1287,1283, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1292,1296,1300,1295, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1290,1304,1293,1294, &end
#
#  chirality for residue 85 atoms:  CA OG HB2 HB3
 &rst iat=1308,1313,1311,1312, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1306,1315,1309,1310, &end
#
#  chirality for residue 86 atoms:  CA CG2 CG1 HB
 &rst iat=1319,1323,1327,1322, &end
#
#  chirality for residue 86 atoms:  CB CD1 HG12 HG13
 &rst iat=1321,1330,1328,1329, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1317,1334,1320,1321, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1338,1343,1341,1342, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1340,1346,1344,1345, &end
#
#  chirality for residue 87 atoms:  CG NE HD2 HD3
 &rst iat=1343,1349,1347,1348, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1336,1358,1339,1340, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1362,1367,1365,1366, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1360,1378,1363,1364, &end
#
#  chirality for residue 89 atoms:  N C HA2 HA3
 &rst iat=1380,1385,1383,1384, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1389,1394,1392,1393, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1391,1397,1395,1396, &end
#
#  chirality for residue 90 atoms:  CG NE HD2 HD3
 &rst iat=1394,1400,1398,1399, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1387,1409,1390,1391, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1421,1415,1419,1420, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1418,1412,1416,1417, &end
#
#  chirality for residue 91 atoms:  CG N HD2 HD3
 &rst iat=1415,1411,1413,1414, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1411,1423,1422,1418, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1427,1432,1430,1431, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1429,1435,1433,1434, &end
#
#  chirality for residue 92 atoms:  CG NE HD2 HD3
 &rst iat=1432,1438,1436,1437, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1425,1447,1428,1429, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1451,1456,1454,1455, &end
#
#  chirality for residue 93 atoms:  CB CD1 CD2 HG
 &rst iat=1453,1458,1462,1457, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1449,1466,1452,1453, &end
#
#  chirality for residue 94 atoms:  CA CG2 OG1 HB
 &rst iat=1470,1474,1478,1473, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1468,1480,1471,1472, &end
#
#  chirality for residue 95 atoms:  CA OG HB2 HB3
 &rst iat=1484,1489,1487,1488, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1482,1491,1485,1486, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1495,1500,1498,1499, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1493,1505,1496,1497, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=29,27,25,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=46,44,42,29, &end
#
#  trans-omega constraint for residue 5
 &rst iat=63,61,59,46, &end
#
#  trans-omega constraint for residue 6
 &rst iat=80,78,76,63, &end
#
#  trans-omega constraint for residue 7
 &rst iat=97,95,93,80, &end
#
#  trans-omega constraint for residue 8
 &rst iat=114,112,110,97, &end
#
#  trans-omega constraint for residue 9
 &rst iat=131,129,127,114, &end
#
#  trans-omega constraint for residue 10
 &rst iat=150,148,146,131, &end
#
#  trans-omega constraint for residue 11
 &rst iat=162,160,158,150, &end
#
#  trans-omega constraint for residue 12
 &rst iat=173,171,169,162, &end
#
#  trans-omega constraint for residue 13
 &rst iat=194,192,190,173, &end
#
#  trans-omega constraint for residue 14
 &rst iat=212,202,200,194, &end
#
#  trans-omega constraint for residue 15
 &rst iat=218,216,214,212, &end
#
#  trans-omega constraint for residue 16
 &rst iat=242,240,238,218, &end
#
#  trans-omega constraint for residue 17
 &rst iat=252,250,248,242, &end
#
#  trans-omega constraint for residue 18
 &rst iat=267,265,263,252, &end
#
#  trans-omega constraint for residue 19
 &rst iat=277,275,273,267, &end
#
#  trans-omega constraint for residue 20
 &rst iat=292,290,288,277, &end
#
#  trans-omega constraint for residue 21
 &rst iat=314,312,310,292, &end
#
#  trans-omega constraint for residue 22
 &rst iat=328,326,324,314, &end
#
#  trans-omega constraint for residue 23
 &rst iat=348,346,344,328, &end
#
#  trans-omega constraint for residue 24
 &rst iat=359,357,355,348, &end
#
#  trans-omega constraint for residue 26
 &rst iat=394,392,390,388, &end
#
#  trans-omega constraint for residue 27
 &rst iat=413,411,409,394, &end
#
#  trans-omega constraint for residue 28
 &rst iat=425,423,421,413, &end
#
#  trans-omega constraint for residue 29
 &rst iat=444,442,440,425, &end
#
#  trans-omega constraint for residue 30
 &rst iat=463,461,459,444, &end
#
#  trans-omega constraint for residue 31
 &rst iat=482,480,478,463, &end
#
#  trans-omega constraint for residue 32
 &rst iat=504,502,500,482, &end
#
#  trans-omega constraint for residue 33
 &rst iat=523,521,519,504, &end
#
#  trans-omega constraint for residue 34
 &rst iat=540,538,536,523, &end
#
#  trans-omega constraint for residue 35
 &rst iat=552,550,548,540, &end
#
#  trans-omega constraint for residue 36
 &rst iat=567,565,563,552, &end
#
#  trans-omega constraint for residue 37
 &rst iat=591,589,587,567, &end
#
#  trans-omega constraint for residue 38
 &rst iat=607,605,603,591, &end
#
#  trans-omega constraint for residue 39
 &rst iat=626,624,622,607, &end
#
#  trans-omega constraint for residue 40
 &rst iat=642,640,638,626, &end
#
#  trans-omega constraint for residue 41
 &rst iat=652,650,648,642, &end
#
#  trans-omega constraint for residue 42
 &rst iat=672,670,668,652, &end
#
#  trans-omega constraint for residue 43
 &rst iat=679,677,675,672, &end
#
#  trans-omega constraint for residue 44
 &rst iat=696,694,692,679, &end
#
#  trans-omega constraint for residue 45
 &rst iat=720,718,716,696, &end
#
#  trans-omega constraint for residue 46
 &rst iat=732,730,728,720, &end
#
#  trans-omega constraint for residue 47
 &rst iat=739,737,735,732, &end
#
#  trans-omega constraint for residue 48
 &rst iat=758,756,754,739, &end
#
#  trans-omega constraint for residue 49
 &rst iat=782,780,778,758, &end
#
#  trans-omega constraint for residue 50
 &rst iat=798,796,794,782, &end
#
#  trans-omega constraint for residue 51
 &rst iat=805,803,801,798, &end
#
#  trans-omega constraint for residue 52
 &rst iat=822,820,818,805, &end
#
#  trans-omega constraint for residue 53
 &rst iat=832,830,828,822, &end
#
#  trans-omega constraint for residue 54
 &rst iat=848,846,844,832, &end
#
#  trans-omega constraint for residue 55
 &rst iat=867,865,863,848, &end
#
#  trans-omega constraint for residue 56
 &rst iat=877,875,873,867, &end
#
#  trans-omega constraint for residue 57
 &rst iat=896,894,892,877, &end
#
#  trans-omega constraint for residue 58
 &rst iat=910,908,906,896, &end
#
#  trans-omega constraint for residue 59
 &rst iat=917,915,913,910, &end
#
#  trans-omega constraint for residue 60
 &rst iat=934,932,930,917, &end
#
#  trans-omega constraint for residue 61
 &rst iat=946,944,942,934, &end
#
#  trans-omega constraint for residue 62
 &rst iat=962,960,958,946, &end
#
#  trans-omega constraint for residue 63
 &rst iat=976,974,972,962, &end
#
#  trans-omega constraint for residue 64
 &rst iat=983,981,979,976, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1007,1005,1003,983, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1028,1026,1024,1007, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1042,1040,1038,1028, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1052,1050,1048,1042, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1064,1062,1060,1052, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1071,1069,1067,1064, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1093,1091,1089,1071, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1108,1106,1104,1093, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1124,1122,1120,1108, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1143,1141,1139,1124, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1158,1156,1154,1143, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1179,1177,1175,1158, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1198,1196,1194,1179, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1205,1203,1201,1198, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1227,1217,1215,1205, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1233,1231,1229,1227, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1243,1241,1239,1233, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1257,1255,1253,1243, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1286,1276,1274,1257, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1292,1290,1288,1286, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1308,1306,1304,1292, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1319,1317,1315,1308, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1338,1336,1334,1319, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1362,1360,1358,1338, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1382,1380,1378,1362, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1389,1387,1385,1382, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1421,1411,1409,1389, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1427,1425,1423,1421, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1451,1449,1447,1427, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1470,1468,1466,1451, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1484,1482,1480,1470, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1495,1493,1491,1484, &end
#  cis-omega constraint for residue 25
 &rst iat=388,378,376,359, 
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 200., rk3=200., &end
#
# 1507 atoms read from pdb file ../prm1.pdb.
# 21 THR PHI:  (20 LYS C)-(21 THR N)-(21 THR CA)-(21 THR C) -140.4 -70.0
 &rst     iat =   310,   312,   314,   324,
   r1 = -141.4, r2 = -140.4, r3 = -70.0, r4 = -69.0,
   rk2 =  100.0, rk3 = 100.0,    &end

# 21 THR PSI:  (21 THR N)-(21 THR CA)-(21 THR C)-(22 PHE N) 117.0 142.1
 &rst     iat =   312,   314,   324,   326,
   r1 = 116.0, r2 = 117.0, r3 = 142.1, r4 = 143.1,
 &end

# 22 PHE PHI:  (21 THR C)-(22 PHE N)-(22 PHE CA)-(22 PHE C) -157.5 -82.8
 &rst     iat =   324,   326,   328,   344,
   r1 = -158.5, r2 = -157.5, r3 = -82.8, r4 = -81.8,
 &end

# 22 PHE PSI:  (22 PHE N)-(22 PHE CA)-(22 PHE C)-(23 SER N) 111.3 182.8
 &rst     iat =   326,   328,   344,   346,
   r1 = 110.3, r2 = 111.3, r3 = 182.8, r4 = 183.8,
 &end

# 23 SER PHI:  (22 PHE C)-(23 SER N)-(23 SER CA)-(23 SER C) -170.8 -50.6
 &rst     iat =   344,   346,   348,   355,
   r1 = -171.8, r2 = -170.8, r3 = -50.6, r4 = -49.6,
 &end

# 23 SER PSI:  (23 SER N)-(23 SER CA)-(23 SER C)-(24 TYR N) 116.1 174.7
 &rst     iat =   346,   348,   355,   357,
   r1 = 115.1, r2 = 116.1, r3 = 174.7, r4 = 175.7,
 &end

# 24 TYR PHI:  (23 SER C)-(24 TYR N)-(24 TYR CA)-(24 TYR C) -161.3 -47.9
 &rst     iat =   355,   357,   359,   376,
   r1 = -162.3, r2 = -161.3, r3 = -47.9, r4 = -46.9,
 &end

# 24 TYR PSI:  (24 TYR N)-(24 TYR CA)-(24 TYR C)-(25 PRO N) 113.5 181.1
 &rst     iat =   357,   359,   376,   378,
   r1 = 112.5, r2 = 113.5, r3 = 181.1, r4 = 182.1,
 &end

# 30 LEU PHI:  (29 LEU C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -143.4 -70.2
 &rst     iat =   459,   461,   463,   478,
   r1 = -144.4, r2 = -143.4, r3 = -70.2, r4 = -69.2,
 &end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 LYS N) 107.6 155.1
 &rst     iat =   461,   463,   478,   480,
   r1 = 106.6, r2 = 107.6, r3 = 155.1, r4 = 156.1,
 &end

# 31 LYS PHI:  (30 LEU C)-(31 LYS N)-(31 LYS CA)-(31 LYS C) -164.1 -117.8
 &rst     iat =   478,   480,   482,   500,
   r1 = -165.1, r2 = -164.1, r3 = -117.8, r4 = -116.8,
 &end

# 31 LYS PSI:  (31 LYS N)-(31 LYS CA)-(31 LYS C)-(32 LEU N) 139.7 172.0
 &rst     iat =   480,   482,   500,   502,
   r1 = 138.7, r2 = 139.7, r3 = 172.0, r4 = 173.0,
 &end

# 32 LEU PHI:  (31 LYS C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -118.8 -71.8
 &rst     iat =   500,   502,   504,   519,
   r1 = -119.8, r2 = -118.8, r3 = -71.8, r4 = -70.8,
 &end

# 32 LEU PSI:  (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 HIS N)  99.4 139.0
 &rst     iat =   502,   504,   519,   521,
   r1 =  98.4, r2 =  99.4, r3 = 139.0, r4 = 140.0,
 &end

# 33 HIS PHI:  (32 LEU C)-(33 HIS N)-(33 HIS CA)-(33 HIS C) -177.5 -48.1
 &rst     iat =   519,   521,   523,   536,
   r1 = -178.5, r2 = -177.5, r3 = -48.1, r4 = -47.1,
 &end

# 33 HIS PSI:  (33 HIS N)-(33 HIS CA)-(33 HIS C)-(34 ASP N) 104.3 144.0
 &rst     iat =   521,   523,   536,   538,
   r1 = 103.3, r2 = 104.3, r3 = 144.0, r4 = 145.0,
 &end

# 34 ASP PHI:  (33 HIS C)-(34 ASP N)-(34 ASP CA)-(34 ASP C)  42.2  62.2
 &rst     iat =   536,   538,   540,   548,
   r1 =  41.2, r2 =  42.2, r3 =  62.2, r4 =  63.2,
 &end

# 34 ASP PSI:  (34 ASP N)-(34 ASP CA)-(34 ASP C)-(35 GLU N)  33.0  56.5
 &rst     iat =   538,   540,   548,   550,
   r1 =  32.0, r2 =  33.0, r3 =  56.5, r4 =  57.5,
 &end

# 38 LEU PHI:  (37 VAL C)-(38 LEU N)-(38 LEU CA)-(38 LEU C) -159.5 -82.5
 &rst     iat =   603,   605,   607,   622,
   r1 = -160.5, r2 = -159.5, r3 = -82.5, r4 = -81.5,
 &end

# 38 LEU PSI:  (38 LEU N)-(38 LEU CA)-(38 LEU C)-(39 VAL N) 141.1 178.6
 &rst     iat =   605,   607,   622,   624,
   r1 = 140.1, r2 = 141.1, r3 = 178.6, r4 = 179.6,
 &end

# 50 GLY PHI:  (49 VAL C)-(50 GLY N)-(50 GLY CA)-(50 GLY C)  85.1 105.1
 &rst     iat =   794,   796,   798,   801,
   r1 =  84.1, r2 =  85.1, r3 = 105.1, r4 = 106.1,
 &end

# 50 GLY PSI:  (50 GLY N)-(50 GLY CA)-(50 GLY C)-(51 HIS N) -27.9   0.4
 &rst     iat =   796,   798,   801,   803,
   r1 = -28.9, r2 = -27.9, r3 =   0.4, r4 =   1.4,
 &end

# 52 ALA PHI:  (51 HIS C)-(52 ALA N)-(52 ALA CA)-(52 ALA C) -158.3 -85.1
 &rst     iat =   818,   820,   822,   828,
   r1 = -159.3, r2 = -158.3, r3 = -85.1, r4 = -84.1,
 &end

# 52 ALA PSI:  (52 ALA N)-(52 ALA CA)-(52 ALA C)-(53 VAL N) 113.3 188.2
 &rst     iat =   820,   822,   828,   830,
   r1 = 112.3, r2 = 113.3, r3 = 188.2, r4 = 189.2,
 &end

# 55 ALA PHI:  (54 LEU C)-(55 ALA N)-(55 ALA CA)-(55 ALA C) -211.3 -69.5
 &rst     iat =   863,   865,   867,   873,
   r1 = -212.3, r2 = -211.3, r3 = -69.5, r4 = -68.5,
 &end

# 55 ALA PSI:  (55 ALA N)-(55 ALA CA)-(55 ALA C)-(56 ILE N) 133.2 168.6
 &rst     iat =   865,   867,   873,   875,
   r1 = 132.2, r2 = 133.2, r3 = 168.6, r4 = 169.6,
 &end

# 56 ILE PHI:  (55 ALA C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -144.8 -93.0
 &rst     iat =   873,   875,   877,   892,
   r1 = -145.8, r2 = -144.8, r3 = -93.0, r4 = -92.0,
 &end

# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 ASN N) 100.1 162.4
 &rst     iat =   875,   877,   892,   894,
   r1 =  99.1, r2 = 100.1, r3 = 162.4, r4 = 163.4,
 &end

# 58 GLY PHI:  (57 ASN C)-(58 GLY N)-(58 GLY CA)-(58 GLY C)  63.0 101.3
 &rst     iat =   906,   908,   910,   913,
   r1 =  62.0, r2 =  63.0, r3 = 101.3, r4 = 102.3,
 &end

# 58 GLY PSI:  (58 GLY N)-(58 GLY CA)-(58 GLY C)-(59 MET N) -35.1  30.0
 &rst     iat =   908,   910,   913,   915,
   r1 = -36.1, r2 = -35.1, r3 =  30.0, r4 =  31.0,
 &end

# 59 MET PHI:  (58 GLY C)-(59 MET N)-(59 MET CA)-(59 MET C) -129.7 -66.6
 &rst     iat =   913,   915,   917,   930,
   r1 = -130.7, r2 = -129.7, r3 = -66.6, r4 = -65.6,
 &end

# 59 MET PSI:  (59 MET N)-(59 MET CA)-(59 MET C)-(60 ASP N)  98.3 175.0
 &rst     iat =   915,   917,   930,   932,
   r1 =  97.3, r2 =  98.3, r3 = 175.0, r4 = 176.0,
 &end

# 65 TYR PHI:  (64 ARG C)-(65 TYR N)-(65 TYR CA)-(65 TYR C) -153.6 -87.3
 &rst     iat =  1003,  1005,  1007,  1024,
   r1 = -154.6, r2 = -153.6, r3 = -87.3, r4 = -86.3,
 &end

# 65 TYR PSI:  (65 TYR N)-(65 TYR CA)-(65 TYR C)-(66 THR N) 118.2 188.9
 &rst     iat =  1005,  1007,  1024,  1026,
   r1 = 117.2, r2 = 118.2, r3 = 188.9, r4 = 189.9,
 &end

# 66 THR PHI:  (65 TYR C)-(66 THR N)-(66 THR CA)-(66 THR C) -112.1 -55.3
 &rst     iat =  1024,  1026,  1028,  1038,
   r1 = -113.1, r2 = -112.1, r3 = -55.3, r4 = -54.3,
 &end

# 66 THR PSI:  (66 THR N)-(66 THR CA)-(66 THR C)-(67 ALA N) 153.5 183.9
 &rst     iat =  1026,  1028,  1038,  1040,
   r1 = 152.5, r2 = 153.5, r3 = 183.9, r4 = 184.9,
 &end

# 67 ALA PHI:  (66 THR C)-(67 ALA N)-(67 ALA CA)-(67 ALA C) -73.8 -49.6
 &rst     iat =  1038,  1040,  1042,  1048,
   r1 = -74.8, r2 = -73.8, r3 = -49.6, r4 = -48.6,
 &end

# 67 ALA PSI:  (67 ALA N)-(67 ALA CA)-(67 ALA C)-(68 ASP N) -43.7   0.1
 &rst     iat =  1040,  1042,  1048,  1050,
   r1 = -44.7, r2 = -43.7, r3 =   0.1, r4 =   1.1,
 &end

# 71 GLU PHI:  (70 LYS C)-(71 GLU N)-(71 GLU CA)-(71 GLU C) -145.1 -30.3
 &rst     iat =  1089,  1091,  1093,  1104,
   r1 = -146.1, r2 = -145.1, r3 = -30.3, r4 = -29.3,
 &end

# 71 GLU PSI:  (71 GLU N)-(71 GLU CA)-(71 GLU C)-(72 VAL N)  97.6 185.2
 &rst     iat =  1091,  1093,  1104,  1106,
   r1 =  96.6, r2 =  97.6, r3 = 185.2, r4 = 186.2,
 &end

# 72 VAL PHI:  (71 GLU C)-(72 VAL N)-(72 VAL CA)-(72 VAL C) -72.9 -52.9
 &rst     iat =  1104,  1106,  1108,  1120,
   r1 = -73.9, r2 = -72.9, r3 = -52.9, r4 = -51.9,
 &end

# 72 VAL PSI:  (72 VAL N)-(72 VAL CA)-(72 VAL C)-(73 LEU N) -53.7 -33.7
 &rst     iat =  1106,  1108,  1120,  1122,
   r1 = -54.7, r2 = -53.7, r3 = -33.7, r4 = -32.7,
 &end

# 73 LEU PHI:  (72 VAL C)-(73 LEU N)-(73 LEU CA)-(73 LEU C) -73.4 -48.2
 &rst     iat =  1120,  1122,  1124,  1139,
   r1 = -74.4, r2 = -73.4, r3 = -48.2, r4 = -47.2,
 &end

# 73 LEU PSI:  (73 LEU N)-(73 LEU CA)-(73 LEU C)-(74 GLU N) -48.3 -28.3
 &rst     iat =  1122,  1124,  1139,  1141,
   r1 = -49.3, r2 = -48.3, r3 = -28.3, r4 = -27.3,
 &end

# 74 GLU PHI:  (73 LEU C)-(74 GLU N)-(74 GLU CA)-(74 GLU C) -74.3 -54.3
 &rst     iat =  1139,  1141,  1143,  1154,
   r1 = -75.3, r2 = -74.3, r3 = -54.3, r4 = -53.3,
 &end

# 74 GLU PSI:  (74 GLU N)-(74 GLU CA)-(74 GLU C)-(75 TYR N) -52.6 -23.4
 &rst     iat =  1141,  1143,  1154,  1156,
   r1 = -53.6, r2 = -52.6, r3 = -23.4, r4 = -22.4,
 &end

# 75 TYR PHI:  (74 GLU C)-(75 TYR N)-(75 TYR CA)-(75 TYR C) -84.2 -43.5
 &rst     iat =  1154,  1156,  1158,  1175,
   r1 = -85.2, r2 = -84.2, r3 = -43.5, r4 = -42.5,
 &end

# 75 TYR PSI:  (75 TYR N)-(75 TYR CA)-(75 TYR C)-(76 LEU N) -64.7 -21.1
 &rst     iat =  1156,  1158,  1175,  1177,
   r1 = -65.7, r2 = -64.7, r3 = -21.1, r4 = -20.1,
 &end

# 76 LEU PHI:  (75 TYR C)-(76 LEU N)-(76 LEU CA)-(76 LEU C) -110.2 -48.7
 &rst     iat =  1175,  1177,  1179,  1194,
   r1 = -111.2, r2 = -110.2, r3 = -48.7, r4 = -47.7,
 &end

# 76 LEU PSI:  (76 LEU N)-(76 LEU CA)-(76 LEU C)-(77 GLY N) -46.1  33.0
 &rst     iat =  1177,  1179,  1194,  1196,
   r1 = -47.1, r2 = -46.1, r3 =  33.0, r4 =  34.0,
 &end

# 80 ALA PHI:  (79 PRO C)-(80 ALA N)-(80 ALA CA)-(80 ALA C) -81.6 -53.5
 &rst     iat =  1229,  1231,  1233,  1239,
   r1 = -82.6, r2 = -81.6, r3 = -53.5, r4 = -52.5,
 &end

# 80 ALA PSI:  (80 ALA N)-(80 ALA CA)-(80 ALA C)-(81 ASN N) -51.4  -4.1
 &rst     iat =  1231,  1233,  1239,  1241,
   r1 = -52.4, r2 = -51.4, r3 =  -4.1, r4 =  -3.1,
 &end

# 84 VAL PHI:  (83 PRO C)-(84 VAL N)-(84 VAL CA)-(84 VAL C) -150.9 -107.4
 &rst     iat =  1288,  1290,  1292,  1304,
   r1 = -151.9, r2 = -150.9, r3 = -107.4, r4 = -106.4,
 &end

# 84 VAL PSI:  (84 VAL N)-(84 VAL CA)-(84 VAL C)-(85 SER N) 131.4 170.8
 &rst     iat =  1290,  1292,  1304,  1306,
   r1 = 130.4, r2 = 131.4, r3 = 170.8, r4 = 171.8,
 &end

# 85 SER PHI:  (84 VAL C)-(85 SER N)-(85 SER CA)-(85 SER C) -125.6 -84.9
 &rst     iat =  1304,  1306,  1308,  1315,
   r1 = -126.6, r2 = -125.6, r3 = -84.9, r4 = -83.9,
 &end

# 85 SER PSI:  (85 SER N)-(85 SER CA)-(85 SER C)-(86 ILE N)  92.7 158.6
 &rst     iat =  1306,  1308,  1315,  1317,
   r1 =  91.7, r2 =  92.7, r3 = 158.6, r4 = 159.6,
 &end

# 86 ILE PHI:  (85 SER C)-(86 ILE N)-(86 ILE CA)-(86 ILE C) -140.2 -105.0
 &rst     iat =  1315,  1317,  1319,  1334,
   r1 = -141.2, r2 = -140.2, r3 = -105.0, r4 = -104.0,
 &end

# 86 ILE PSI:  (86 ILE N)-(86 ILE CA)-(86 ILE C)-(87 ARG N)  91.3 163.6
 &rst     iat =  1317,  1319,  1334,  1336,
   r1 =  90.3, r2 =  91.3, r3 = 163.6, r4 = 164.6,
 &end

# 88 PHE PHI:  (87 ARG C)-(88 PHE N)-(88 PHE CA)-(88 PHE C) -165.0 -107.2
 &rst     iat =  1358,  1360,  1362,  1378,
   r1 = -166.0, r2 = -165.0, r3 = -107.2, r4 = -106.2,
 &end

# 88 PHE PSI:  (88 PHE N)-(88 PHE CA)-(88 PHE C)-(89 GLY N) 134.3 183.8
 &rst     iat =  1360,  1362,  1378,  1380,
   r1 = 133.3, r2 = 134.3, r3 = 183.8, r4 = 184.8,
 &end

# 90 ARG PHI:  (89 GLY C)-(90 ARG N)-(90 ARG CA)-(90 ARG C) -131.8 -58.9
 &rst     iat =  1385,  1387,  1389,  1409,
   r1 = -132.8, r2 = -131.8, r3 = -58.9, r4 = -57.9,
 &end

# 90 ARG PSI:  (90 ARG N)-(90 ARG CA)-(90 ARG C)-(91 PRO N)  67.3 186.7
 &rst     iat =  1387,  1389,  1409,  1411,
   r1 =  66.3, r2 =  67.3, r3 = 186.7, r4 = 187.7,
 &end

#
#  71 GLU- O      75 TYR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1157, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
#  71 GLU- O      75 TYR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1156, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 VAL  O      76 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1178, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  72 VAL  O      76 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  73 LEU  O      77 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1197, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  73 LEU  O      77 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 HIS  O      36 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 566, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  33 HIS  O      36 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 565, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 HIS  HN     36 ARG+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 588, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  33 HIS  N      36 ARG+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 LYS+ O      38 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 606, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31 LYS+ O      38 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 LYS+ HN     38 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 623, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31 LYS+ N      38 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 623, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62 ASN  O      65 TYR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1006, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  62 ASN  O      65 TYR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1005, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62 ASN  HN     65 TYR  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 961,1025, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  62 ASN  N      65 TYR  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 960,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57 ASN  HN     85 SER  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 895,1316, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  57 ASN  N      85 SER  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 894,1316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  55 ALA  O      87 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 874,1337, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  55 ALA  O      87 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 874,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  55 ALA  HN     87 ARG+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 866,1359, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  55 ALA  N      87 ARG+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 865,1359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  52 ALA  O      89 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 829,1381, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  52 ALA  O      89 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 829,1380, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  52 ALA  HN     89 GLY  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 821,1386, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  52 ALA  N      89 GLY  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 820,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56 ILE  O      59 MET  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 916, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56 ILE  O      59 MET  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 915, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56 ILE  HN     59 MET  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 931, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56 ILE  N      59 MET  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 931, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  54 LEU  O      61 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 945, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  54 LEU  O      61 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 944, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 PHE  HN     84 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 327,1305, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 PHE  N      84 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 326,1305, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 PHE  O      84 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1291, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 PHE  O      84 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64 ARG+ O      72 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1107, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  64 ARG+ O      72 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1106, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 ALA  HN           66 THR  HB          3.50    (#      0:25  Unique         2.15, 2.20 A)
 &rst
  ixpk= 0, nxpk= 25, iat=1041,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   68 ASP  HN           66 THR  HB          4.50    (#      1:25  Unique         2.57, 2.63 A)
 &rst
  ixpk= 1, nxpk= 25, iat=1051,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  MB           66 THR  HB          3.50    (#      2:25  Unique         3.78, 4.54 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1045,1046,1047,
 &end
#
#   66 THR  MG2          66 THR  HB          2.50    (#      3:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1033,1034,1035,
 &end
#
#    0 AMB  25-2:4       94 THR  HB          4.50    (#      4:25  Single Ambig)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,1473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1494,1469,
 &end
#
#   94 THR  MG2          94 THR  HB          2.50    (#      5:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,1473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1475,1476,1477,
 &end
#
#   95 SER  HN           94 THR  HB          4.50    (#      6:25  Unique         2.31, 3.52 A)
 &rst
  ixpk= 6, nxpk= 25, iat=1483,1473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 THR  HA           21 THR  HB          4.50    (#      9:25  Unique         2.57, 2.67 A)
 &rst
  ixpk= 9, nxpk= 25, iat= 315, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 THR  MG2          21 THR  HB          2.50    (#     11:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 319, 320, 321,
 &end
#
#   72 VAL  HN           72 VAL  HA          3.50    (#     12:25  Unique         2.77, 2.79 A)
 &rst
  ixpk= 12, nxpk= 25, iat=1107,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HN           72 VAL  HA          4.50    (#     13:25  Unique         3.12, 3.34 A)
 &rst
  ixpk= 13, nxpk= 25, iat=1157,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 TYR  HB-          72 VAL  HA          3.50    (#     14:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   72 VAL  HB           72 VAL  HA          3.50    (#     15:25  Unique         2.41, 2.97 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1111,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:16      72 VAL  HA          2.50    (#     16:25  Single Ambig)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,1033,1034,1035,
 &end
#
#   24 TYR  HN           23 SER  QB          2.50    (#     21:25  Unique         2.15, 2.86 A)
 &rst
  ixpk= 21, nxpk= 25, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 351, 352,
 &end
#
#   82 TYR  HD           79 PRO  HA          4.50    (#     25:25  Unique         2.15, 3.41 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1264,1273,
 &end
#
#    0 AMB  25-2:26      79 PRO  HA          3.50    (#     26:25  Single Ambig)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1266,1271, 368, 373,1251,1252,
 &end
#
#   24 TYR  HD           79 PRO  HA          5.50    (#     27:25  Unique         3.71, 6.61 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 366, 375,
 &end
#
#   79 PRO  HG+          79 PRO  HA          4.50    (#     28:25  Unique         3.81, 3.94 A)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1222,1223,
 &end
#
#   79 PRO  HB+          79 PRO  HA          3.50    (#     29:25  Unique         2.25, 2.49 A)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1225,1226,
 &end
#
#   79 PRO  HG-          79 PRO  HA          4.50    (#     30:25  Unique         3.81, 3.94 A)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1222,1223,
 &end
#
#   79 PRO  HB-          79 PRO  HA          2.50    (#     31:25  Unique         2.25, 2.49 A)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1225,1226,
 &end
#
#   50 GLY  HN           49 VAL  HA          2.50    (#     32:25  Unique         2.13, 2.35 A)
 &rst
  ixpk= 32, nxpk= 25, iat= 797, 783, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:33      49 VAL  HA          3.50    (#     33:25  Single Ambig)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 629, 685, 686,
 &end
#
#   49 VAL  HB           49 VAL  HA          3.50    (#     34:25  Unique         2.37, 2.59 A)
 &rst
  ixpk= 34, nxpk= 25, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  MGY          49 VAL  HA          3.50    (#     35:25  Unique         2.14, 4.00 A)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:36      49 VAL  HA          2.50    (#     36:25  Single Ambig)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   95 SER  HN           95 SER  QB          3.50    (#     38:25  Unique         2.46, 3.14 A)
 &rst
  ixpk= 38, nxpk= 25, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1487,1488,
 &end
#
#   57 ASN  HN           85 SER  HB+         4.50    (#     39:25  Unique         2.90, 3.78 A)
 &rst
  ixpk= 39, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   86 ILE  HN           85 SER  HB+         4.50    (#     40:25  Unique         2.91, 3.56 A)
 &rst
  ixpk= 40, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   57 ASN  HN           85 SER  HB-         4.50    (#     42:25  Unique         2.90, 3.78 A)
 &rst
  ixpk= 42, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   86 ILE  HN           85 SER  HB-         4.50    (#     43:25  Unique         2.91, 3.56 A)
 &rst
  ixpk= 43, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   85 SER  HN           85 SER  HB-         3.50    (#     44:25  Unique         2.47, 3.15 A)
 &rst
  ixpk= 44, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#   85 SER  HA           85 SER  HB-         3.50    (#     45:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 45, nxpk= 25, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#   57 ASN  HA           85 SER  HB-         3.50    (#     46:25  Unique         2.30, 3.44 A)
 &rst
  ixpk= 46, nxpk= 25, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#    0 AMB  25-2:49      85 SER  HB-         4.50    (#     49:25  Single Ambig)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 882, 883, 884,1331,1332,1333,
 igr2=1311,1312,
 &end
#
#   54 LEU  HN           53 VAL  HA          2.50    (#     51:25  Unique         2.18, 2.23 A)
 &rst
  ixpk= 51, nxpk= 25, iat= 847, 833, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   88 PHE  HA           53 VAL  HA          4.50    (#     52:25  Unique         2.14, 2.43 A)
 &rst
  ixpk= 52, nxpk= 25, iat=1363, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:53      53 VAL  HA          2.50    (#     53:25  Single Ambig)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
       861, 862,
 &end
#
#   53 VAL  MGY          53 VAL  HA          3.50    (#     54:25  Unique         2.45, 3.24 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 837, 838, 839, 841, 842, 843,
 &end
#
#   40 ALA  HN           39 VAL  HA          3.50    (#     55:25  Unique         2.10, 2.15 A)
 &rst
  ixpk= 55, nxpk= 25, iat= 641, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:56      39 VAL  HA          2.50    (#     56:25  Single Ambig)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 471, 472, 473, 475, 476, 477, 469, 631, 632, 633,
       635, 636, 637,
 &end
#
#    0 AMB  25-2:57      11 SER  QB          2.50    (#     57:25  Single Ambig)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 172, 161,
 igr2= 165, 166,
 &end
#
#   11 SER  HA           11 SER  QB          2.50    (#     59:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 59, nxpk= 25, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 165, 166,
 &end
#
#    0 AMB  25-2:61       0 AMB  25-1:61     3.50    (#     61:25  Double Ambig)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1426, 217,
 igr2=1422, 213,
 &end
#
#    0 AMB  25-2:62      83 PRO  HA          4.50    (#     62:25  Single Ambig)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 351, 352,1278,1279,
 &end
#
#   83 PRO  HD+          83 PRO  HA          4.50    (#     63:25  Unique         3.50, 3.82 A)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1278,1279,
 &end
#
#    0 AMB  25-2:64       0 AMB  25-1:64     3.50    (#     64:25  Double Ambig)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1413,1414,1413,1414, 204, 205, 204, 205,
 igr2=1422, 213,
 &end
#
#   14 PRO  HB+          14 PRO  HA          3.50    (#     66:25  Unique         2.27, 2.62 A)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 210, 211,
 &end
#
#    0 AMB  25-2:67       0 AMB  25-1:67     2.50    (#     67:25  Double Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1419,1420, 210, 211,1284,1285,
 igr2=1422, 213,1287,
 &end
#
#    0 AMB  25-2:68       0 AMB  25-1:68     3.50    (#     68:25  Double Ambig)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1419,1420,1284,1285,
 igr2=1422,1287,
 &end
#
#    0 AMB  25-2:69       0 AMB  25-1:69     4.50    (#     69:25  Double Ambig)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 613, 507, 508, 570, 571, 466, 467, 491, 492, 986,
       987,1454,1455,
 igr2= 592,1422,
 &end
#
#   52 ALA  MB           91 PRO  HA          3.50    (#     70:25  Unique         2.11, 3.10 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 825, 826, 827,
 &end
#
#    0 AMB  25-2:72      37 VAL  HA          3.50    (#     72:25  Single Ambig)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 481,
 &end
#
#   38 LEU  HN           37 VAL  HA          2.50    (#     73:25  Unique         2.07, 2.15 A)
 &rst
  ixpk= 73, nxpk= 25, iat= 606, 592, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   37 VAL  HN           37 VAL  HA          4.50    (#     74:25  Unique         2.92, 2.96 A)
 &rst
  ixpk= 74, nxpk= 25, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 LEU  HA           37 VAL  HA          5.50    (#     75:25  Unique         2.21, 2.36 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 505, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:76      37 VAL  HA          2.50    (#     76:25  Single Ambig)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602, 615, 616, 617, 619, 620, 621, 512, 513,
       514, 516, 517, 518,
 &end
#
#   75 TYR  HN           75 TYR  HA          3.50    (#     77:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 77, nxpk= 25, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HD2+         75 TYR  HA          4.50    (#     78:25  Unique         2.78, 3.89 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1251,1252,
 &end
#
#   75 TYR  HD           75 TYR  HA          3.50    (#     79:25  Unique         2.40, 3.48 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1165,1174,
 &end
#
#   81 ASN  HD2-         75 TYR  HA          4.50    (#     80:25  Unique         2.78, 3.89 A)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1251,1252,
 &end
#
#   75 TYR  HB+          75 TYR  HA          3.50    (#     81:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   75 TYR  HB-          75 TYR  HA          3.50    (#     82:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#    0 AMB  25-2:83      75 TYR  HA          4.50    (#     83:25  Single Ambig)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1149,1150,1146,1147,1246,1247,
 &end
#
#    0 AMB  25-2:84      75 TYR  HA          5.50    (#     84:25  Single Ambig)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#   24 TYR  HA           25 PRO  HA          3.50    (#     86:25  Unique         2.23, 2.61 A)
 &rst
  ixpk= 86, nxpk= 25, iat= 360, 389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:87      25 PRO  HA          3.50    (#     87:25  Single Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 386, 387, 383, 384,
 &end
#
#   95 SER  HN           94 THR  HA          3.50    (#     88:25  Unique         2.31, 3.03 A)
 &rst
  ixpk= 88, nxpk= 25, iat=1483,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  HN           94 THR  HA          3.50    (#     89:25  Unique         2.24, 2.84 A)
 &rst
  ixpk= 89, nxpk= 25, iat=1469,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  MG2          94 THR  HA          3.50    (#     90:25  Unique         2.35, 3.00 A)
 &rst
  ixpk= 90, nxpk= 25, iat=  -1,1471, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1475,1476,1477,
 &end
#
#   66 THR  HN           66 THR  HA          4.50    (#     92:25  Unique         2.89, 2.90 A)
 &rst
  ixpk= 92, nxpk= 25, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HN           66 THR  HA          3.50    (#     93:25  Unique         2.47, 2.51 A)
 &rst
  ixpk= 93, nxpk= 25, iat=1041,1029, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  HN           66 THR  HA          4.50    (#     94:25  Unique         3.10, 3.38 A)
 &rst
  ixpk= 94, nxpk= 25, iat= 961,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  MB           66 THR  HA          4.50    (#     95:25  Unique         4.71, 5.20 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045,1046,1047,
 &end
#
#    0 AMB  25-2:96      66 THR  HA          2.50    (#     96:25  Single Ambig)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
      1114,1115,1117,1118,1119,
 &end
#
#   61 VAL  HN           61 VAL  HA          3.50    (#     97:25  Unique         2.91, 2.95 A)
 &rst
  ixpk= 97, nxpk= 25, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HA           61 VAL  HA          3.50    (#     98:25  Unique         2.52, 2.60 A)
 &rst
  ixpk= 98, nxpk= 25, iat=1029, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  HN           61 VAL  HA          2.50    (#     99:25  Unique         2.07, 2.18 A)
 &rst
  ixpk= 99, nxpk= 25, iat= 961, 947, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   61 VAL  HB           61 VAL  HA          3.50    (#    100:25  Unique         2.40, 2.42 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 949, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:101     61 VAL  HA          2.50    (#    101:25  Single Ambig)
 &rst
  ixpk= 101, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   57 ASN  HN           56 ILE  HA          2.50    (#    102:25  Unique         2.15, 2.20 A)
 &rst
  ixpk= 102, nxpk= 25, iat= 895, 878, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   56 ILE  HG1+         56 ILE  HA          3.50    (#    103:25  Unique         2.53, 2.87 A)
 &rst
  ixpk= 103, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 886, 887,
 &end
#
#    0 AMB  25-2:104     56 ILE  HA          2.50    (#    104:25  Single Ambig)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr1= 882, 883, 884,1328,1329,
 &end
#
#   56 ILE  HN           56 ILE  HA          4.50    (#    105:25  Unique         2.94, 2.96 A)
 &rst
  ixpk= 105, nxpk= 25, iat= 876, 878, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 PHE  HD           41 PHE  HA          3.50    (#    106:25  Unique         2.42, 3.45 A)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 659, 667,
 &end
#
#    0 AMB  25-2:107     41 PHE  HA          2.50    (#    107:25  Single Ambig)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 671, 651,
 &end
#
#   41 PHE  HB+          41 PHE  HA          2.50    (#    108:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 655, 656,
 &end
#
#   41 PHE  HB-          41 PHE  HA          3.50    (#    109:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 655, 656,
 &end
#
#    0 AMB  25-2:110     41 PHE  HA          2.50    (#    110:25  Single Ambig)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   75 TYR  HN           74 GLU  HA          4.50    (#    111:25  Unique         3.57, 3.58 A)
 &rst
  ixpk= 111, nxpk= 25, iat=1157,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 GLY  HN           74 GLU  HA          4.50    (#    112:25  Unique         3.17, 3.36 A)
 &rst
  ixpk= 112, nxpk= 25, iat=1197,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 GLU  HN           74 GLU  HA          3.50    (#    113:25  Unique         2.84, 2.91 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1142,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 GLU  HG+          74 GLU  HA          3.50    (#    114:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1149,1150,
 &end
#
#    0 AMB  25-2:115     74 GLU  HA          3.50    (#    115:25  Single Ambig)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,1146,1147,
 &end
#
#    0 AMB  25-2:116     74 GLU  HA          5.50    (#    116:25  Single Ambig)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,1099,1100,
 &end
#
#    0 AMB  25-2:117     11 SER  HA          3.50    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 172, 161,
 &end
#
#   11 SER  QB           11 SER  HA          2.50    (#    118:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 165, 166,
 &end
#
#   12 TYR  HB+          11 SER  HA          5.50    (#    123:25  Unique         4.28, 5.41 A)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 176, 177,
 &end
#
#    0 AMB  25-2:124     73 LEU  HA          3.50    (#    124:25  Single Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1130,1182,1183,
 &end
#
#   73 LEU  HN           73 LEU  HA          3.50    (#    125:25  Unique         2.77, 2.87 A)
 &rst
  ixpk= 125, nxpk= 25, iat=1123,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:126     73 LEU  HA          3.50    (#    126:25  Single Ambig)
 &rst
  ixpk= 126, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1127,1128,1182,1183,
 &end
#
#   73 LEU  HB-          73 LEU  HA          3.50    (#    127:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1127,1128,
 &end
#
#    0 AMB  25-2:128     73 LEU  HA          2.50    (#    128:25  Single Ambig)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#   96 ASN  HN           95 SER  HA          3.50    (#    129:25  Unique         2.20, 2.97 A)
 &rst
  ixpk= 129, nxpk= 25, iat=1494,1485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 SER  QB           95 SER  HA          2.50    (#    130:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1487,1488,
 &end
#
#   95 SER  HN           95 SER  HA          4.50    (#    131:25  Unique         2.22, 2.83 A)
 &rst
  ixpk= 131, nxpk= 25, iat=1483,1485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLU  HN           71 GLU  HA          3.50    (#    132:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 132, nxpk= 25, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 VAL  HN           71 GLU  HA          2.50    (#    133:25  Unique         2.14, 2.18 A)
 &rst
  ixpk= 133, nxpk= 25, iat=1107,1094, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   65 TYR  HA           71 GLU  HA          3.50    (#    134:25  Unique         2.26, 2.40 A)
 &rst
  ixpk= 134, nxpk= 25, iat=1008,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HG+          71 GLU  HA          3.50    (#    135:25  Unique         2.29, 2.80 A)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1099,1100,
 &end
#
#   71 GLU  HB+          71 GLU  HA          3.50    (#    136:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1096,1097,
 &end
#
#    0 AMB  25-2:137     71 GLU  HA          4.50    (#    137:25  Single Ambig)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1111,1074,1075,
 &end
#
#    0 AMB  25-2:138     71 GLU  HA          3.50    (#    138:25  Single Ambig)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,1033,1034,1035, 512, 513, 514, 516, 517,
       518,
 &end
#
#   12 TYR  HN           12 TYR  HA          3.50    (#    139:25  Unique         2.21, 2.86 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TYR  HB+          12 TYR  HA          2.50    (#    140:25  Unique         2.28, 2.50 A)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 176, 177,
 &end
#
#   13 ALA  HN           12 TYR  HA          3.50    (#    142:25  Unique         2.20, 2.87 A)
 &rst
  ixpk= 142, nxpk= 25, iat= 193, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TYR  HD           12 TYR  HA          4.50    (#    143:25  Unique         2.68, 4.13 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 180, 189,
 &end
#
#   65 TYR  HD           71 GLU  HA          3.50    (#    144:25  Unique         2.10, 4.04 A)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1014,1023,
 &end
#
#    0 AMB  25-2:145     71 GLU  HA          3.50    (#    145:25  Single Ambig)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1099,1100,1096,1097,
 &end
#
#   35 GLU  HN           35 GLU  HA          2.50    (#    147:25  Unique         2.19, 2.23 A)
 &rst
  ixpk= 147, nxpk= 25, iat= 551, 553, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   36 ARG  HN           35 GLU  HA          4.50    (#    148:25  Unique         2.81, 3.02 A)
 &rst
  ixpk= 148, nxpk= 25, iat= 566, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:149     35 GLU  HA          3.50    (#    149:25  Single Ambig)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#   32 LEU  MDX          35 GLU  HA          3.50    (#    150:25  Unique         2.21, 4.07 A)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:151     35 GLU  HA          3.50    (#    151:25  Single Ambig)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#   52 ALA  HN           51 HIS  HA          3.50    (#    152:25  Unique         2.22, 2.36 A)
 &rst
  ixpk= 152, nxpk= 25, iat= 821, 806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:153     82 TYR  HA          3.50    (#    153:25  Single Ambig)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1264,1273,1256,
 &end
#
#   82 TYR  HB-          82 TYR  HA          3.50    (#    155:25  Unique         2.57, 2.85 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1260,1261,
 &end
#
#   84 VAL  MGY          82 TYR  HA          3.50    (#    156:25  Unique         3.40, 5.14 A)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   33 HIS  HN           33 HIS  HA          3.50    (#    157:25  Unique         2.88, 2.92 A)
 &rst
  ixpk= 157, nxpk= 25, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 ASP  HN           33 HIS  HA          2.50    (#    158:25  Unique         2.19, 2.27 A)
 &rst
  ixpk= 158, nxpk= 25, iat= 539, 524, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   33 HIS  HB-          33 HIS  HA          3.50    (#    159:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#   17 GLU  HN           17 GLU  HA          3.50    (#    161:25  Unique         2.20, 2.76 A)
 &rst
  ixpk= 161, nxpk= 25, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  QG           17 GLU  HA          3.50    (#    162:25  Unique         2.28, 3.13 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#   17 GLU  HB+          17 GLU  HA          3.50    (#    164:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 255, 256,
 &end
#
#   17 GLU  HB-          17 GLU  HA          3.50    (#    165:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 165, nxpk= 25, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 255, 256,
 &end
#
#    8 HIS  HN            7 HIS  HA          2.50    (#    166:25  Unique         2.15, 2.38 A)
 &rst
  ixpk= 166, nxpk= 25, iat= 113,  98, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:167      0 AMB  25-1:167    4.50    (#    167:25  Double Ambig)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1436,1437, 227, 228,
 igr2=1428, 219,
 &end
#
#   92 ARG  HB+          92 ARG  HA          3.50    (#    168:25  Unique         2.25, 2.74 A)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1430,1431,
 &end
#
#    0 AMB  25-2:169     92 ARG  HA          3.50    (#    169:25  Single Ambig)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1450,1426,
 &end
#
#   61 VAL  HN           60 ASP  HA          2.50    (#    174:25  Unique         2.21, 2.26 A)
 &rst
  ixpk= 174, nxpk= 25, iat= 945, 935, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   60 ASP  HN           60 ASP  HA          3.50    (#    175:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASP  HB+          60 ASP  HA          3.50    (#    176:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#   60 ASP  HB-          60 ASP  HA          3.50    (#    177:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#    0 AMB  25-2:180      0 AMB  25-1:180    2.50    (#    180:25  Double Ambig)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 100, 101,  83,  84,
 igr2=  98,  81,
 &end
#
#    9 LEU  HN            8 HIS  HA          3.50    (#    182:25  Unique         2.23, 2.82 A)
 &rst
  ixpk= 182, nxpk= 25, iat= 130, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:184      0 AMB  25-1:184    2.50    (#    184:25  Double Ambig)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 117, 118,1185,
 igr2= 115,1180,
 &end
#
#   34 ASP  HN           34 ASP  HA          2.50    (#    189:25  Unique         2.24, 2.26 A)
 &rst
  ixpk= 189, nxpk= 25, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:190      0 AMB  25-1:190    3.50    (#    190:25  Double Ambig)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 551, 982,
 igr2= 541, 984,
 &end
#
#   33 HIS  HA           34 ASP  HA          4.50    (#    191:25  Unique         4.36, 4.40 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 ASP  HB+          34 ASP  HA          3.50    (#    192:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 192, nxpk= 25, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 543, 544,
 &end
#
#    0 AMB  25-2:193     34 ASP  HA          3.50    (#    193:25  Single Ambig)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 543, 544, 558, 559,
 &end
#
#    0 AMB  25-2:194     34 ASP  HA          4.50    (#    194:25  Single Ambig)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 558, 559, 555, 556,
 &end
#
#   25 PRO  HA           24 TYR  HA          3.50    (#    195:25  Unique         2.23, 2.61 A)
 &rst
  ixpk= 195, nxpk= 25, iat= 389, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ALA  MB           60 ASP  HA          2.50    (#    196:25  Unique         2.22, 3.09 A)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  25-2:198      0 AMB  25-1:198    2.50    (#    198:25  Double Ambig)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1395,1396, 134, 135,
 igr2= 219, 132,
 &end
#
#   35 GLU  HA            0 AMB  25-1:200    5.50    (#    200:25  Single Ambig)
 &rst
  ixpk= 200, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 541, 984,
 &end
#
#   64 ARG  HB+          64 ARG  HA          2.50    (#    201:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 986, 987,
 &end
#
#   64 ARG  HB-          64 ARG  HA          3.50    (#    202:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 986, 987,
 &end
#
#    0 AMB  25-2:203     64 ARG  HA          3.50    (#    203:25  Single Ambig)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:204     54 LEU  HA          2.50    (#    204:25  Single Ambig)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 856, 857, 858, 860, 861, 862, 951, 952, 953, 955,
       956, 957, 951, 952, 953, 955, 956, 957,
 &end
#
#   94 THR  HN           93 LEU  HA          3.50    (#    205:25  Unique         2.15, 2.93 A)
 &rst
  ixpk= 205, nxpk= 25, iat=1469,1452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HD           76 LEU  HA          4.50    (#    206:25  Unique         3.30, 5.14 A)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   93 LEU  QB           93 LEU  HA          2.50    (#    207:25  Unique         2.31, 2.74 A)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1454,1455,
 &end
#
#   76 LEU  MDX          76 LEU  HA          3.50    (#    208:25  Unique         2.17, 3.84 A)
 &rst
  ixpk= 208, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:210     76 LEU  HA          3.50    (#    210:25  Single Ambig)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252, 368, 373,
 &end
#
#   10 ASP  HN            9 LEU  HA          2.50    (#    211:25  Unique         2.13, 2.32 A)
 &rst
  ixpk= 211, nxpk= 25, iat= 149, 132, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:212      0 AMB  25-1:212    3.50    (#    212:25  Double Ambig)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
       144, 145, 787, 788, 789, 791, 792, 793, 787, 788,
       789, 791, 792, 793,
 igr2= 132, 680,
 &end
#
#   67 ALA  HN           67 ALA  HA          3.50    (#    213:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 213, nxpk= 25, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 ASP  HN           67 ALA  HA          3.50    (#    214:25  Unique         3.56, 3.56 A)
 &rst
  ixpk= 214, nxpk= 25, iat=1051,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  MB           67 ALA  HA          2.50    (#    215:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1045,1046,1047,
 &end
#
#   96 ASN  QB           96 ASN  HA          3.50    (#    217:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1499,
 &end
#
#   71 GLU  HN           70 LYS  HA          2.50    (#    218:25  Unique         2.28, 2.32 A)
 &rst
  ixpk= 218, nxpk= 25, iat=1092,1072, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   70 LYS  HN           70 LYS  HA          3.50    (#    219:25  Unique         2.85, 2.90 A)
 &rst
  ixpk= 219, nxpk= 25, iat=1070,1072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GLY  HN           70 LYS  HA          5.50    (#    220:25  Unique         4.80, 4.85 A)
 &rst
  ixpk= 220, nxpk= 25, iat=1063,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:222      0 AMB  25-1:222    2.50    (#    222:25  Double Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 462, 503,
 igr2= 445, 483,
 &end
#
#   30 LEU  HA            0 AMB  25-1:223    4.50    (#    223:25  Single Ambig)
 &rst
  ixpk= 223, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 483,
 &end
#
#    0 AMB  25-2:224      0 AMB  25-1:224    2.50    (#    224:25  Double Ambig)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1080,1081, 485, 486, 447, 448,
 igr2=1072, 483, 445,
 &end
#
#   73 LEU  MDX          31 LYS  HA          4.50    (#    225:25  Unique         2.60, 4.06 A)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  25-2:226      0 AMB  25-1:226    3.50    (#    226:25  Double Ambig)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1392,1393,1074,1075, 447, 448,
 igr2=1390,1072, 445,
 &end
#
#   10 ASP  HN           10 ASP  HA          3.50    (#    228:25  Unique         2.24, 2.85 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 149, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  HN           10 ASP  HA          3.50    (#    229:25  Unique         2.18, 2.92 A)
 &rst
  ixpk= 229, nxpk= 25, iat= 161, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASP  QB           10 ASP  HA          2.50    (#    230:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 153, 154,
 &end
#
#   90 ARG  HN           90 ARG  HA          3.50    (#    232:25  Unique         2.83, 2.90 A)
 &rst
  ixpk= 232, nxpk= 25, iat=1388,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 ARG  QD           90 ARG  HA          4.50    (#    235:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1398,1399,
 &end
#
#   58 GLY  HN           57 ASN  HA          3.50    (#    238:25  Unique         2.78, 2.90 A)
 &rst
  ixpk= 238, nxpk= 25, iat= 909, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:239      0 AMB  25-1:239    3.50    (#    239:25  Double Ambig)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 566, 904, 905,
 igr2= 568, 897,
 &end
#
#    0 AMB  25-2:240     57 ASN  HA          3.50    (#    240:25  Single Ambig)
 &rst
  ixpk= 240, nxpk= 25, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   57 ASN  HB+          57 ASN  HA          3.50    (#    241:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   57 ASN  HB-          57 ASN  HA          3.50    (#    242:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 242, nxpk= 25, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   36 ARG  HB+          36 ARG  HA          3.50    (#    243:25  Unique         2.24, 2.80 A)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 570, 571,
 &end
#
#    0 AMB  25-2:244     36 ARG  HA          3.50    (#    244:25  Single Ambig)
 &rst
  ixpk= 244, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 570, 571, 986, 987,
 &end
#
#    0 AMB  25-2:245      0 AMB  25-1:245    3.50    (#    245:25  Double Ambig)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 512, 513, 514, 516, 517, 518, 596, 597, 598, 600,
       601, 602, 596, 597, 598, 600, 601, 602,1297,1298,
      1299,1301,1302,1303, 510, 615, 616, 617, 619, 620,
       621,
 igr2= 568, 897,
 &end
#
#   37 VAL  HN           36 ARG  HA          3.50    (#    246:25  Unique         2.21, 2.41 A)
 &rst
  ixpk= 246, nxpk= 25, iat= 590, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 HIS  HD2          90 ARG  HA          4.50    (#    247:25  Unique         2.25, 3.43 A)
 &rst
  ixpk= 247, nxpk= 25, iat= 817,1390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASN  HN           57 ASN  HA          2.50    (#    249:25  Unique         2.23, 2.25 A)
 &rst
  ixpk= 249, nxpk= 25, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   80 ALA  HN           80 ALA  HA          3.50    (#    251:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 251, nxpk= 25, iat=1232,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HN           80 ALA  HA          3.50    (#    252:25  Unique         3.41, 3.44 A)
 &rst
  ixpk= 252, nxpk= 25, iat=1242,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:253     80 ALA  HA          4.50    (#    253:25  Single Ambig)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1256,1264,1273,
 &end
#
#   79 PRO  HB+          80 ALA  HA          5.50    (#    254:25  Unique         4.46, 5.26 A)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1225,1226,
 &end
#
#   80 ALA  MB           80 ALA  HA          2.50    (#    255:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1236,1237,1238,
 &end
#
#   81 ASN  HN           81 ASN  HA          3.50    (#    256:25  Unique         2.94, 2.97 A)
 &rst
  ixpk= 256, nxpk= 25, iat=1242,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:257     81 ASN  HA          5.50    (#    257:25  Single Ambig)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1251,1252,1167,1172,
 &end
#
#   81 ASN  HB+          81 ASN  HA          3.50    (#    258:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 258, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   82 TYR  HN           81 ASN  HA          3.50    (#    259:25  Unique         2.71, 3.04 A)
 &rst
  ixpk= 259, nxpk= 25, iat=1256,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:261     68 ASP  HA          3.50    (#    261:25  Single Ambig)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1051,1063,
 &end
#
#   68 ASP  HB+          68 ASP  HA          3.50    (#    263:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   68 ASP  HB-          68 ASP  HA          3.50    (#    264:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   41 PHE  HN           40 ALA  HA          4.50    (#    265:25  Unique         3.56, 3.57 A)
 &rst
  ixpk= 265, nxpk= 25, iat= 651, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:267     16 ALA  HA          3.50    (#    267:25  Single Ambig)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 251, 241,
 &end
#
#    0 AMB  25-2:268     16 ALA  HA          4.50    (#    268:25  Single Ambig)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 255, 256, 221, 222, 210, 211,
 &end
#
#   16 ALA  MB           16 ALA  HA          2.50    (#    269:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 245, 246, 247,
 &end
#
#   40 ALA  HN           40 ALA  HA          4.50    (#    271:25  Unique         2.88, 2.95 A)
 &rst
  ixpk= 271, nxpk= 25, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:272     40 ALA  HA          2.50    (#    272:25  Single Ambig)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr1= 645, 646, 647, 488, 489,
 &end
#
#    0 AMB  25-2:273     40 ALA  HA          3.50    (#    273:25  Single Ambig)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   80 ALA  HN           79 PRO  HD+         4.50    (#    276:25  Unique         2.86, 3.52 A)
 &rst
  ixpk= 276, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1219,1220,
 &end
#
#   78 ASN  HA           79 PRO  HD+         2.50    (#    277:25  Unique         2.20, 2.40 A)
 &rst
  ixpk= 277, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1219,1220,
 &end
#
#   79 PRO  HG+          79 PRO  HD+         3.50    (#    279:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1219,1220,
 &end
#
#   79 PRO  HG-          79 PRO  HD+         3.50    (#    280:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1219,1220,
 &end
#
#   79 PRO  HB+          79 PRO  HD+         4.50    (#    281:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1225,1226,
 igr2=1219,1220,
 &end
#
#   78 ASN  HA           79 PRO  HD-         2.50    (#    284:25  Unique         2.20, 2.40 A)
 &rst
  ixpk= 284, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1219,1220,
 &end
#
#    0 AMB  25-2:286     83 PRO  HD-         3.50    (#    286:25  Single Ambig)
 &rst
  ixpk= 286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1281,1282,1284,1285,
 igr2=1278,1279,
 &end
#
#    0 AMB  25-2:287      0 AMB  25-1:287    3.50    (#    287:25  Double Ambig)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1281,1282,1284,1285,
 igr2=1278,1279,1278,1279,
 &end
#
#   14 PRO  QG           14 PRO  HD+         2.50    (#    289:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 207, 208,
 igr2= 204, 205,
 &end
#
#   13 ALA  HN           13 ALA  HA          3.50    (#    291:25  Unique         2.21, 2.87 A)
 &rst
  ixpk= 291, nxpk= 25, iat= 193, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:292     13 ALA  HA          3.50    (#    292:25  Single Ambig)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 204, 205, 204, 205,
 &end
#
#   13 ALA  MB           13 ALA  HA          2.50    (#    294:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 197, 198, 199,
 &end
#
#    0 AMB  25-2:295     83 PRO  HD-         3.50    (#    295:25  Single Ambig)
 &rst
  ixpk= 295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1281,1282,1284,1285,
 igr2=1278,1279,
 &end
#
#   14 PRO  HA           14 PRO  HD+         4.50    (#    297:25  Unique         3.36, 3.75 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 204, 205,
 &end
#
#   14 PRO  HB+          14 PRO  HD+         4.50    (#    298:25  Unique         2.79, 3.69 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 210, 211,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:301      0 AMB  25-1:301    4.50    (#    301:25  Double Ambig)
 &rst
  ixpk= 301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1422, 213,
 igr2=1413,1414, 204, 205,
 &end
#
#   14 PRO  HB+          14 PRO  HD-         4.50    (#    302:25  Unique         2.79, 3.69 A)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 210, 211,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:303      0 AMB  25-1:303    2.50    (#    303:25  Double Ambig)
 &rst
  ixpk= 303, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 207, 208,1416,1417,
 igr2= 204, 205,1413,1414,
 &end
#
#   13 ALA  MB           14 PRO  HD-         3.50    (#    304:25  Unique         2.15, 3.78 A)
 &rst
  ixpk= 304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 197, 198, 199,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:305      0 AMB  25-1:305    2.50    (#    305:25  Double Ambig)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 383, 384, 386, 387,
 igr2= 380, 381, 380, 381,
 &end
#
#    0 AMB  25-2:308     25 PRO  HD-         2.50    (#    308:25  Single Ambig)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 383, 384, 386, 387,
 igr2= 380, 381,
 &end
#
#   64 ARG  HN           63 GLY  HA+         3.50    (#    309:25  Unique         2.20, 2.98 A)
 &rst
  ixpk= 309, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   63 GLY  HN           63 GLY  HA-         3.50    (#    311:25  Unique         2.24, 2.55 A)
 &rst
  ixpk= 311, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   69 GLY  HN           69 GLY  HA+         2.50    (#    315:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 315, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1065,1066,
 &end
#
#   69 GLY  HN           69 GLY  HA-         3.50    (#    317:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 317, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1065,1066,
 &end
#
#   70 LYS  HN           69 GLY  HA-         4.50    (#    318:25  Unique         3.21, 3.36 A)
 &rst
  ixpk= 318, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#   38 LEU  HN           38 LEU  HB+         3.50    (#    320:25  Unique         2.36, 3.13 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-2:322      0 AMB  25-1:322    2.50    (#    322:25  Double Ambig)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 610, 611, 610, 611,
 &end
#
#    0 AMB  25-2:323     38 LEU  HB-         3.50    (#    323:25  Single Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 606, 625,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-2:325     38 LEU  HB-         2.50    (#    325:25  Single Ambig)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-2:326     89 GLY  QA          3.50    (#    326:25  Single Ambig)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1388,1381,
 igr2=1383,1384,
 &end
#
#   54 LEU  MDY          89 GLY  QA          3.50    (#    327:25  Unique         2.23, 4.76 A)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=1383,1384,
 &end
#
#   77 GLY  HN           77 GLY  HA+         3.50    (#    328:25  Unique         2.26, 2.55 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1199,1200,
 &end
#
#   58 GLY  HN           58 GLY  HA+         2.50    (#    331:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 331, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 911, 912,
 &end
#
#   59 MET  HN           58 GLY  HA+         4.50    (#    332:25  Unique         3.16, 3.36 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 911, 912,
 &end
#
#   58 GLY  HN           58 GLY  HA-         3.50    (#    335:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 911, 912,
 &end
#
#    2 GLY  HN            2 GLY  HA-         4.50    (#    339:25  Unique         2.28, 2.78 A)
 &rst
  ixpk= 339, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  23,  24,
 &end
#
#   77 GLY  HN           77 GLY  HA-         3.50    (#    340:25  Unique         2.26, 2.55 A)
 &rst
  ixpk= 340, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1199,1200,
 &end
#
#   78 ASN  HN           77 GLY  HA-         4.50    (#    341:25  Unique         2.87, 3.27 A)
 &rst
  ixpk= 341, nxpk= 25, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:343      0 AMB  25-1:343    3.50    (#    343:25  Double Ambig)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 615, 616, 617, 619, 620, 621, 787, 788, 789, 791,
       792, 793,
 igr2= 799, 800, 799, 800,
 &end
#
#   50 GLY  HN           50 GLY  HA+         3.50    (#    344:25  Unique         2.27, 2.61 A)
 &rst
  ixpk= 344, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-2:347     50 GLY  HA-         3.50    (#    347:25  Single Ambig)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 615, 616, 617, 619, 620, 621, 787, 788, 789, 791,
       792, 793,
 igr2= 799, 800,
 &end
#
#   50 GLY  HN           50 GLY  HA-         3.50    (#    348:25  Unique         2.27, 2.61 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 799, 800,
 &end
#
#   64 ARG  HB+          64 ARG  QD          2.50    (#    354:25  Unique         2.19, 3.14 A)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 986, 987,
 igr2= 992, 993,
 &end
#
#   64 ARG  HE           64 ARG  QD          3.50    (#    355:25  Unique         2.33, 2.81 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 992, 993,
 &end
#
#   65 TYR  HE           64 ARG  QD          4.50    (#    356:25  Unique         2.57, 4.68 A)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1016,1021,
 igr2= 992, 993,
 &end
#
#   71 GLU  HG-          64 ARG  QD          5.50    (#    357:25  Unique         2.48, 5.85 A)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:358     64 ARG  QD          2.50    (#    358:25  Single Ambig)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 986, 987, 989, 990,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:359     64 ARG  QD          3.50    (#    359:25  Single Ambig)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 510,
 igr2= 992, 993,
 &end
#
#   88 PHE  HD           88 PHE  HB-         4.50    (#    360:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1369,1377,
 igr2=1365,1366,
 &end
#
#    0 AMB  25-2:361      0 AMB  25-1:361    4.50    (#    361:25  Double Ambig)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 837, 838, 839, 841, 842, 843, 631, 632, 633, 635,
       636, 637,
 igr2=1365,1366,1365,1366,
 &end
#
#   88 PHE  HD           88 PHE  HB+         3.50    (#    362:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1369,1377,
 igr2=1365,1366,
 &end
#
#   51 HIS  HD2          88 PHE  HB+         5.50    (#    363:25  Unique         3.00, 5.23 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#    0 AMB  25-2:367     30 LEU  HB-         3.50    (#    367:25  Single Ambig)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 596, 597, 598, 600, 601, 602,1132,1133,1134,1136,
      1137,1138,
 igr2= 466, 467,
 &end
#
#   90 ARG  HN           90 ARG  QD          4.50    (#    368:25  Unique         2.00, 3.76 A)
 &rst
  ixpk= 368, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1398,1399,
 &end
#
#    0 AMB  25-2:369     36 ARG  HD-         5.50    (#    369:25  Single Ambig)
 &rst
  ixpk= 369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 975, 551,
 igr2= 576, 577,
 &end
#
#    0 AMB  25-2:370      0 AMB  25-1:370    4.50    (#    370:25  Double Ambig)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 241, 217,1426,
 igr2=1398,1399, 227, 228, 576, 577,
 &end
#
#   36 ARG  HN           36 ARG  HD-         4.50    (#    371:25  Unique         3.10, 4.60 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 576, 577,
 &end
#
#   51 HIS  HD2          90 ARG  QD          3.50    (#    373:25  Unique         2.31, 3.79 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1398,1399,
 &end
#
#   36 ARG  HA           36 ARG  HD-         4.50    (#    376:25  Unique         2.12, 3.32 A)
 &rst
  ixpk= 376, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 576, 577,
 &end
#
#    0 AMB  25-2:377      0 AMB  25-1:377    3.50    (#    377:25  Double Ambig)
 &rst
  ixpk= 377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1428, 219, 243,
 igr2=1436,1437, 227, 228,1398,1399,
 &end
#
#   63 GLY  HA-          36 ARG  HD-         4.50    (#    379:25  Unique         2.10, 3.71 A)
 &rst
  ixpk= 379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 977, 978,
 igr2= 576, 577,
 &end
#
#    0 AMB  25-2:382      0 AMB  25-1:382    2.50    (#    382:25  Double Ambig)
 &rst
  ixpk= 382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1395,1396, 570, 571,1392,1393,
 igr2=1398,1399, 576, 577,
 &end
#
#   54 LEU  HA           54 LEU  HB+         3.50    (#    390:25  Unique         2.45, 2.80 A)
 &rst
  ixpk= 390, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 851, 852,
 &end
#
#   54 LEU  MDY          54 LEU  HB-         3.50    (#    391:25  Unique         2.38, 3.37 A)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 851, 852,
 &end
#
#   32 LEU  HA           32 LEU  HB-         3.50    (#    397:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 397, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 507, 508,
 &end
#
#    0 AMB  25-2:398     32 LEU  HB-         2.50    (#    398:25  Single Ambig)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
       517, 518, 512, 513, 514, 516, 517, 518, 510, 596,
       597, 598, 600, 601, 602,
 igr2= 507, 508,
 &end
#
#   22 PHE  HD           22 PHE  HB-         5.50    (#    401:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:403     22 PHE  HB-         4.50    (#    403:25  Single Ambig)
 &rst
  ixpk= 403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 igr2= 331, 332,
 &end
#
#   41 PHE  HB-          29 LEU  HB+         3.50    (#    404:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   30 LEU  HN           29 LEU  HB+         4.50    (#    405:25  Unique         2.41, 3.74 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 447, 448,
 &end
#
#   29 LEU  HA           29 LEU  HB+         3.50    (#    406:25  Unique         2.52, 2.80 A)
 &rst
  ixpk= 406, nxpk= 25, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 447, 448,
 &end
#
#   40 ALA  MB           29 LEU  HB+         3.50    (#    408:25  Unique         2.34, 4.36 A)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647,
 igr2= 447, 448,
 &end
#
#    0 AMB  25-2:410      0 AMB  25-1:410    2.50    (#    410:25  Double Ambig)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 503, 462,
 igr2= 507, 508, 447, 448,
 &end
#
#   32 LEU  HA           32 LEU  HB+         3.50    (#    411:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 411, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 507, 508,
 &end
#
#   41 PHE  HN           29 LEU  HB-         4.50    (#    413:25  Unique         2.17, 3.36 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 447, 448,
 &end
#
#   29 LEU  HA           29 LEU  HB-         3.50    (#    414:25  Unique         2.52, 2.80 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 447, 448,
 &end
#
#   41 PHE  HB-          29 LEU  HB-         3.50    (#    415:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   32 LEU  HN           32 LEU  HB-         3.50    (#    416:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 507, 508,
 &end
#
#    0 AMB  25-2:418      0 AMB  25-1:418    3.50    (#    418:25  Double Ambig)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 671, 651,
 igr2= 655, 656, 655, 656,
 &end
#
#    0 AMB  25-2:420     70 LYS  QE          4.50    (#    420:25  Single Ambig)
 &rst
  ixpk= 420, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1070,1251,1252,
 igr2=1083,1084,
 &end
#
#   86 ILE  HG1-         22 PHE  HB-         4.50    (#    423:25  Unique         2.60, 4.59 A)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1328,1329,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:424     41 PHE  HB-         3.50    (#    424:25  Single Ambig)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 671, 651,
 igr2= 655, 656,
 &end
#
#   41 PHE  HD           41 PHE  HB-         3.50    (#    425:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 659, 667,
 igr2= 655, 656,
 &end
#
#   41 PHE  HA           41 PHE  HB-         4.50    (#    426:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 426, nxpk= 25, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 655, 656,
 &end
#
#   41 PHE  HB+          29 LEU  HB-         5.50    (#    428:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   93 LEU  HN           93 LEU  QB          3.50    (#    429:25  Unique         2.29, 2.92 A)
 &rst
  ixpk= 429, nxpk= 25, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1454,1455,
 &end
#
#   66 THR  HN           65 TYR  HB+         4.50    (#    431:25  Unique         2.68, 3.35 A)
 &rst
  ixpk= 431, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1010,1011,
 &end
#
#   65 TYR  HD           65 TYR  HB+         3.50    (#    432:25  Unique         2.34, 3.09 A)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1014,1023,
 igr2=1010,1011,
 &end
#
#   65 TYR  HN           65 TYR  HB+         3.50    (#    433:25  Unique         2.59, 3.23 A)
 &rst
  ixpk= 433, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   65 TYR  HA           65 TYR  HB+         3.50    (#    434:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 434, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   75 TYR  HD           70 LYS  QE          4.50    (#    435:25  Unique         2.86, 6.28 A)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1083,1084,
 &end
#
#    0 AMB  25-2:436     70 LYS  QE          5.50    (#    436:25  Single Ambig)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1167,1172,1251,1252,
 igr2=1083,1084,
 &end
#
#   70 LYS  HA           70 LYS  QE          4.50    (#    437:25  Unique         2.51, 4.40 A)
 &rst
  ixpk= 437, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1083,1084,
 &end
#
#   70 LYS  HB-          70 LYS  QE          5.50    (#    438:25  Unique         2.11, 4.27 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1074,1075,
 igr2=1083,1084,
 &end
#
#   70 LYS  QD           70 LYS  QE          2.50    (#    439:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1080,1081,
 igr2=1083,1084,
 &end
#
#   70 LYS  QG           70 LYS  QE          2.50    (#    440:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1083,1084,
 &end
#
#   65 TYR  HN           65 TYR  HB-         3.50    (#    441:25  Unique         2.59, 3.23 A)
 &rst
  ixpk= 441, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   65 TYR  HA           65 TYR  HB-         3.50    (#    442:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 442, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   38 LEU  MDX          31 LYS  QE          2.50    (#    443:25  Unique         2.16, 4.78 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 494, 495,
 &end
#
#   37 VAL  HA           31 LYS  QE          5.50    (#    444:25  Unique         5.47, 6.14 A)
 &rst
  ixpk= 444, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
#    0 AMB  25-2:445     41 PHE  HB-         3.50    (#    445:25  Single Ambig)
 &rst
  ixpk= 445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 655, 656,
 &end
#
#   94 THR  HN           93 LEU  QB          3.50    (#    452:25  Unique         2.05, 3.35 A)
 &rst
  ixpk= 452, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1454,1455,
 &end
#
#    9 LEU  HN            9 LEU  QB          2.50    (#    453:25  Unique         2.36, 2.75 A)
 &rst
  ixpk= 453, nxpk= 25, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 134, 135,
 &end
#
#    9 LEU  HA            9 LEU  QB          2.50    (#    454:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 454, nxpk= 25, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 134, 135,
 &end
#
#   65 TYR  HD           65 TYR  HB-         3.50    (#    456:25  Unique         2.34, 3.09 A)
 &rst
  ixpk= 456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1014,1023,
 igr2=1010,1011,
 &end
#
#    0 AMB  25-2:457     31 LYS  QE          4.50    (#    457:25  Single Ambig)
 &rst
  ixpk= 457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 524, 483,
 igr2= 494, 495,
 &end
#
#    0 AMB  25-2:458     31 LYS  QE          2.50    (#    458:25  Single Ambig)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 610, 611, 488, 489,
 igr2= 494, 495,
 &end
#
#   40 ALA  HA           31 LYS  QE          4.50    (#    460:25  Unique         3.14, 4.60 A)
 &rst
  ixpk= 460, nxpk= 25, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 494, 495,
 &end
#
#    0 AMB  25-2:461     31 LYS  QE          2.50    (#    461:25  Single Ambig)
 &rst
  ixpk= 461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 610, 611, 491, 492,
 igr2= 494, 495,
 &end
#
#   10 ASP  HN           10 ASP  QB          2.50    (#    464:25  Unique         2.23, 2.71 A)
 &rst
  ixpk= 464, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 153, 154,
 &end
#
#    0 AMB  25-2:465     10 ASP  QB          4.50    (#    465:25  Single Ambig)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 161, 172,
 igr2= 153, 154,
 &end
#
#   10 ASP  HA           10 ASP  QB          2.50    (#    466:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 153, 154,
 &end
#
#   76 LEU  HN           76 LEU  HB+         3.50    (#    467:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 467, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1182,1183,
 &end
#
#    0 AMB  25-2:469     76 LEU  HB-         2.50    (#    469:25  Single Ambig)
 &rst
  ixpk= 469, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 igr2=1182,1183,
 &end
#
#   76 LEU  HN           76 LEU  HB-         4.50    (#    470:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 470, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1182,1183,
 &end
#
#   76 LEU  HA           76 LEU  HB-         4.50    (#    471:25  Unique         2.53, 2.80 A)
 &rst
  ixpk= 471, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1182,1183,
 &end
#
#    0 AMB  25-2:473      0 AMB  25-1:473    2.50    (#    473:25  Double Ambig)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 igr2=1182,1183,1182,1183,
 &end
#
#   56 ILE  HN           56 ILE  HB          3.50    (#    474:25  Unique         2.75, 2.83 A)
 &rst
  ixpk= 474, nxpk= 25, iat= 876, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 ILE  HA           56 ILE  HB          4.50    (#    475:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 475, nxpk= 25, iat= 878, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HG1+         56 ILE  HB          3.50    (#    476:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 886, 887,
 &end
#
#    0 AMB  25-2:477     56 ILE  HB          2.50    (#    477:25  Single Ambig)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 882, 883, 884, 951, 952, 953, 955, 956, 957, 951,
       952, 953, 955, 956, 957,
 &end
#
#   60 ASP  HN           60 ASP  HB+         3.50    (#    478:25  Unique         2.27, 2.47 A)
 &rst
  ixpk= 478, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   61 VAL  HN           60 ASP  HB+         4.50    (#    479:25  Unique         4.11, 4.31 A)
 &rst
  ixpk= 479, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   60 ASP  HN           60 ASP  HB-         3.50    (#    480:25  Unique         2.27, 2.47 A)
 &rst
  ixpk= 480, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   61 VAL  HN           60 ASP  HB-         4.50    (#    481:25  Unique         4.11, 4.31 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   67 ALA  MB           60 ASP  HB+         4.50    (#    484:25  Unique         3.59, 5.80 A)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 937, 938,
 &end
#
#   73 LEU  HN           73 LEU  HB+         3.50    (#    485:25  Unique         2.35, 3.06 A)
 &rst
  ixpk= 485, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  HA           73 LEU  HB+         3.50    (#    486:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 486, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  MDX          73 LEU  HB+         2.50    (#    488:25  Unique         2.42, 3.35 A)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1132,1133,1134,1136,1137,1138,
 igr2=1127,1128,
 &end
#
#   73 LEU  HN           73 LEU  HB-         4.50    (#    489:25  Unique         2.35, 3.06 A)
 &rst
  ixpk= 489, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1127,1128,
 &end
#
#   73 LEU  HA           73 LEU  HB-         3.50    (#    490:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 490, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  HG           73 LEU  HB-         3.50    (#    492:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 492, nxpk= 25, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  MDX          73 LEU  HB-         2.50    (#    493:25  Unique         2.42, 3.35 A)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1132,1133,1134,1136,1137,1138,
 igr2=1127,1128,
 &end
#
#   81 ASN  HD2+         78 ASN  HB+         3.50    (#    496:25  Unique         2.35, 4.57 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252,
 igr2=1208,1209,
 &end
#
#   81 ASN  HD2-         78 ASN  HB+         3.50    (#    497:25  Unique         2.35, 4.57 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252,
 igr2=1208,1209,
 &end
#
#   78 ASN  HA           78 ASN  HB+         3.50    (#    498:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 498, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1208,1209,
 &end
#
#   78 ASN  HD2+         78 ASN  HB+         3.50    (#    499:25  Unique         2.22, 3.15 A)
 &rst
  ixpk= 499, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1213,1214,
 igr2=1208,1209,
 &end
#
#    0 AMB  25-2:500      0 AMB  25-1:500    3.50    (#    500:25  Double Ambig)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1213,1214,1204,
 igr2=1208,1209,1208,1209,
 &end
#
#   68 ASP  HN           68 ASP  HB+         4.50    (#    502:25  Unique         2.40, 2.54 A)
 &rst
  ixpk= 502, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1055,1056,
 &end
#
#   68 ASP  HA           68 ASP  HB+         3.50    (#    503:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 503, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1055,1056,
 &end
#
#   81 ASN  HD2-         78 ASN  HB-         3.50    (#    509:25  Unique         2.35, 4.57 A)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252,
 igr2=1208,1209,
 &end
#
#   68 ASP  HN           68 ASP  HB-         3.50    (#    512:25  Unique         2.40, 2.54 A)
 &rst
  ixpk= 512, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1055,1056,
 &end
#
#   68 ASP  HA           68 ASP  HB-         3.50    (#    513:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 513, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1055,1056,
 &end
#
#   75 TYR  HD           75 TYR  HB+         4.50    (#    514:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1161,1162,
 &end
#
#   75 TYR  HN           75 TYR  HB+         3.50    (#    515:25  Unique         2.30, 2.47 A)
 &rst
  ixpk= 515, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#   75 TYR  HA           75 TYR  HB-         3.50    (#    521:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 521, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#   70 LYS  HB+          75 TYR  HB-         4.50    (#    522:25  Unique         2.26, 3.39 A)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1075,
 igr2=1161,1162,
 &end
#
#   75 TYR  HN           75 TYR  HB-         3.50    (#    523:25  Unique         2.30, 2.47 A)
 &rst
  ixpk= 523, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#   76 LEU  HN           75 TYR  HB-         4.50    (#    524:25  Unique         2.36, 3.12 A)
 &rst
  ixpk= 524, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   75 TYR  HD           75 TYR  HB-         3.50    (#    526:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1165,1174,
 igr2=1161,1162,
 &end
#
#    0 AMB  25-2:527     75 TYR  HB-         3.50    (#    527:25  Single Ambig)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
      1114,1115,1117,1118,1119,
 igr2=1161,1162,
 &end
#
#    0 AMB  25-2:530      0 AMB  25-1:530    4.50    (#    530:25  Double Ambig)
 &rst
  ixpk= 530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 551, 975,
 igr2= 543, 544, 965, 966,
 &end
#
#    0 AMB  25-2:532      0 AMB  25-1:532    3.50    (#    532:25  Double Ambig)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 541,1043,
 igr2= 543, 544, 965, 966,
 &end
#
#   62 ASN  HN           62 ASN  HB+         3.50    (#    533:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 533, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   62 ASN  HD2+         62 ASN  HB+         3.50    (#    534:25  Unique         2.28, 3.18 A)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 970, 971,
 igr2= 965, 966,
 &end
#
#    0 AMB  25-2:535      0 AMB  25-1:535    4.50    (#    535:25  Double Ambig)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 970, 971,1014,1023,
 igr2= 965, 966, 965, 966,
 &end
#
#   62 ASN  HA           62 ASN  HB+         3.50    (#    536:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 536, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   62 ASN  HN           62 ASN  HB-         3.50    (#    538:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 538, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   63 GLY  HN           62 ASN  HB-         4.50    (#    539:25  Unique         4.45, 4.55 A)
 &rst
  ixpk= 539, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 965, 966,
 &end
#
#   62 ASN  HD2+         62 ASN  HB-         3.50    (#    540:25  Unique         2.28, 3.18 A)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 970, 971,
 igr2= 965, 966,
 &end
#
#   62 ASN  HA           62 ASN  HB-         3.50    (#    541:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 541, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   24 TYR  HD           24 TYR  QB          3.50    (#    542:25  Unique         2.30, 3.08 A)
 &rst
  ixpk= 542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 366, 375,
 igr2= 362, 363,
 &end
#
#   24 TYR  HN           24 TYR  QB          4.50    (#    544:25  Unique         2.14, 3.25 A)
 &rst
  ixpk= 544, nxpk= 25, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 362, 363,
 &end
#
#   35 GLU  HN           34 ASP  HB-         4.50    (#    545:25  Unique         4.27, 4.49 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 543, 544,
 &end
#
#   34 ASP  HA           34 ASP  HB-         3.50    (#    546:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 546, nxpk= 25, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   12 TYR  HN           12 TYR  HB+         3.50    (#    549:25  Unique         2.27, 3.35 A)
 &rst
  ixpk= 549, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#   13 ALA  HN           12 TYR  HB+         4.50    (#    550:25  Unique         2.22, 3.49 A)
 &rst
  ixpk= 550, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   12 TYR  HD           12 TYR  HB+         2.50    (#    551:25  Unique         2.32, 3.09 A)
 &rst
  ixpk= 551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 180, 189,
 igr2= 176, 177,
 &end
#
#   12 TYR  HE           12 TYR  HB+         4.50    (#    552:25  Unique         4.64, 5.10 A)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 187,
 igr2= 176, 177,
 &end
#
#   12 TYR  HA           12 TYR  HB+         2.50    (#    553:25  Unique         2.28, 2.50 A)
 &rst
  ixpk= 553, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 176, 177,
 &end
#
#   12 TYR  HN           12 TYR  HB-         3.50    (#    554:25  Unique         2.27, 3.35 A)
 &rst
  ixpk= 554, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#   12 TYR  HD           12 TYR  HB-         2.50    (#    555:25  Unique         2.32, 3.09 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 180, 189,
 igr2= 176, 177,
 &end
#
#   12 TYR  HA           12 TYR  HB-         3.50    (#    556:25  Unique         2.28, 2.50 A)
 &rst
  ixpk= 556, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#   13 ALA  HN           12 TYR  HB-         4.50    (#    557:25  Unique         2.22, 3.49 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:558      0 AMB  25-1:558    4.50    (#    558:25  Double Ambig)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1242, 904, 905,
 igr2=1246,1247,1246,1247,
 &end
#
#    0 AMB  25-2:559      0 AMB  25-1:559    4.50    (#    559:25  Double Ambig)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1251,1252,1167,1172,
 igr2=1246,1247,1246,1247,
 &end
#
#   81 ASN  HA           81 ASN  HB+         3.50    (#    560:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 560, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#    0 AMB  25-2:561     81 ASN  HB-         4.50    (#    561:25  Single Ambig)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1251,1252,1167,1172,
 igr2=1246,1247,
 &end
#
#   71 GLU  HN           71 GLU  HG+         4.50    (#    562:25  Unique         2.87, 4.36 A)
 &rst
  ixpk= 562, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   65 TYR  HE           71 GLU  HG+         3.50    (#    563:25  Unique         2.54, 5.47 A)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1016,1021,
 igr2=1099,1100,
 &end
#
#   71 GLU  HA           71 GLU  HG+         3.50    (#    564:25  Unique         2.29, 2.80 A)
 &rst
  ixpk= 564, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1099,1100,
 &end
#
#   81 ASN  HA           81 ASN  HB-         3.50    (#    566:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 566, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#    0 AMB  25-2:567     81 ASN  HB-         4.50    (#    567:25  Single Ambig)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1242, 904, 905,
 igr2=1246,1247,
 &end
#
#   71 GLU  HN           71 GLU  HG-         4.50    (#    568:25  Unique         2.87, 4.36 A)
 &rst
  ixpk= 568, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   65 TYR  HE           71 GLU  HG-         4.50    (#    569:25  Unique         2.54, 5.47 A)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1016,1021,
 igr2=1099,1100,
 &end
#
#   71 GLU  HA           71 GLU  HG-         3.50    (#    570:25  Unique         2.29, 2.80 A)
 &rst
  ixpk= 570, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1099,1100,
 &end
#
#   71 GLU  HB+          71 GLU  HG-         3.50    (#    572:25  Unique         2.27, 2.75 A)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,
 igr2=1099,1100,
 &end
#
#   31 LYS  HN           31 LYS  QB          3.50    (#    573:25  Unique         3.15, 3.67 A)
 &rst
  ixpk= 573, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 485, 486,
 &end
#
#   32 LEU  HN           31 LYS  QB          3.50    (#    574:25  Unique         2.32, 3.26 A)
 &rst
  ixpk= 574, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 485, 486,
 &end
#
#   31 LYS  HA           31 LYS  QB          2.50    (#    575:25  Unique         2.27, 2.43 A)
 &rst
  ixpk= 575, nxpk= 25, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 485, 486,
 &end
#
#    0 AMB  25-2:576     31 LYS  QB          4.50    (#    576:25  Single Ambig)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 494, 495, 526, 527,
 igr2= 485, 486,
 &end
#
#    0 AMB  25-2:577     31 LYS  QB          2.50    (#    577:25  Single Ambig)
 &rst
  ixpk= 577, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 488, 489, 645, 646, 647,
 igr2= 485, 486,
 &end
#
#   57 ASN  HD2-         57 ASN  HB+         3.50    (#    579:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   57 ASN  HA           57 ASN  HB+         3.50    (#    580:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   57 ASN  HD2-         57 ASN  HB-         3.50    (#    582:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   57 ASN  HA           57 ASN  HB-         3.50    (#    583:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 583, nxpk= 25, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   35 GLU  HN           35 GLU  HG+         4.50    (#    585:25  Unique         2.77, 3.40 A)
 &rst
  ixpk= 585, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 558, 559,
 &end
#
#   17 GLU  HN           17 GLU  QG          3.50    (#    587:25  Unique         2.22, 3.48 A)
 &rst
  ixpk= 587, nxpk= 25, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 258, 259,
 &end
#
#   17 GLU  HA           17 GLU  QG          3.50    (#    588:25  Unique         2.28, 3.13 A)
 &rst
  ixpk= 588, nxpk= 25, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 258, 259,
 &end
#
#   74 GLU  HA           74 GLU  HG+         3.50    (#    594:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 594, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1149,1150,
 &end
#
#   35 GLU  HA           35 GLU  HG+         3.50    (#    596:25  Unique         2.20, 3.17 A)
 &rst
  ixpk= 596, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 558, 559,
 &end
#
#   34 ASP  HB+          35 GLU  HG+         7.00    (#    598:25  Unique         5.26, 6.60 A)
 &rst
  ixpk= 598, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 543, 544,
 igr2= 558, 559,
 &end
#
#   17 GLU  HB-          17 GLU  QG          2.50    (#    601:25  Unique         2.27, 2.68 A)
 &rst
  ixpk= 601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 255, 256,
 igr2= 258, 259,
 &end
#
#   16 ALA  MB           17 GLU  QG          5.50    (#    602:25  Unique         2.54, 5.57 A)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 245, 246, 247,
 igr2= 258, 259,
 &end
#
#   74 GLU  HA           74 GLU  HG-         3.50    (#    603:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 603, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1149,1150,
 &end
#
#   35 GLU  HN           35 GLU  HG-         3.50    (#    604:25  Unique         2.77, 3.40 A)
 &rst
  ixpk= 604, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 558, 559,
 &end
#
#   35 GLU  HA           35 GLU  HG-         3.50    (#    605:25  Unique         2.20, 3.17 A)
 &rst
  ixpk= 605, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 558, 559,
 &end
#
#   85 SER  HN           84 VAL  HB          3.50    (#    619:25  Unique         2.16, 2.50 A)
 &rst
  ixpk= 619, nxpk= 25, iat=1307,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 VAL  HA           84 VAL  HB          3.50    (#    620:25  Unique         2.45, 2.52 A)
 &rst
  ixpk= 620, nxpk= 25, iat=1293,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 VAL  MGX          84 VAL  HB          2.50    (#    622:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:623     84 VAL  HB          2.50    (#    623:25  Single Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 &end
#
#    0 AMB  25-2:629      0 AMB  25-1:629    3.50    (#    629:25  Double Ambig)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 389, 380, 381,
 igr2= 386, 387, 386, 387,
 &end
#
#   59 MET  HN           59 MET  HB+         4.50    (#    631:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 631, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 920, 921,
 &end
#
#   59 MET  HA           59 MET  HB+         3.50    (#    632:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 632, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   59 MET  HG-          59 MET  HB+         2.50    (#    633:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 923, 924,
 igr2= 920, 921,
 &end
#
#   67 ALA  MB           59 MET  HB+         4.50    (#    635:25  Unique         2.32, 3.76 A)
 &rst
  ixpk= 635, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 920, 921,
 &end
#
#   59 MET  HG-          59 MET  HB-         3.50    (#    636:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 924,
 igr2= 920, 921,
 &end
#
#   67 ALA  MB           59 MET  HB-         3.50    (#    638:25  Unique         2.32, 3.76 A)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1045,1046,1047,
 igr2= 920, 921,
 &end
#
#   60 ASP  HN           59 MET  HB-         3.50    (#    639:25  Unique         3.28, 4.02 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   59 MET  HA           59 MET  HB-         3.50    (#    640:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   36 ARG  HD-          36 ARG  HB+         3.50    (#    642:25  Unique         2.32, 3.42 A)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 576, 577,
 igr2= 570, 571,
 &end
#
#   36 ARG  HN           36 ARG  HB+         3.50    (#    643:25  Unique         2.52, 3.17 A)
 &rst
  ixpk= 643, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#   36 ARG  HN           36 ARG  HB-         3.50    (#    644:25  Unique         2.52, 3.17 A)
 &rst
  ixpk= 644, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#   36 ARG  HA           36 ARG  HB-         3.50    (#    645:25  Unique         2.24, 2.80 A)
 &rst
  ixpk= 645, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#   36 ARG  HD-          36 ARG  HB-         4.50    (#    646:25  Unique         2.32, 3.42 A)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 576, 577,
 igr2= 570, 571,
 &end
#
#   38 LEU  MDY          36 ARG  HB-         3.50    (#    647:25  Unique         2.37, 4.43 A)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 570, 571,
 &end
#
#   43 GLN  HE2+         43 GLN  QG          3.50    (#    648:25  Unique         2.23, 3.33 A)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 690, 691,
 igr2= 685, 686,
 &end
#
#   43 GLN  QB           43 GLN  QG          2.50    (#    650:25  Unique         2.25, 2.70 A)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 682, 683,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:651     43 GLN  QG          4.50    (#    651:25  Single Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 685, 686,
 &end
#
#   71 GLU  HN           70 LYS  HB+         4.50    (#    657:25  Unique         2.81, 3.63 A)
 &rst
  ixpk= 657, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1074,1075,
 &end
#
#   70 LYS  HN           70 LYS  HB+         3.50    (#    658:25  Unique         2.26, 3.03 A)
 &rst
  ixpk= 658, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   70 LYS  QG           70 LYS  HB+         2.50    (#    659:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   71 GLU  HN           70 LYS  HB-         4.50    (#    660:25  Unique         2.81, 3.63 A)
 &rst
  ixpk= 660, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1074,1075,
 &end
#
#   70 LYS  HN           70 LYS  HB-         3.50    (#    661:25  Unique         2.26, 3.03 A)
 &rst
  ixpk= 661, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   70 LYS  QG           70 LYS  HB-         2.50    (#    662:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   33 HIS  HA           33 HIS  HB+         3.50    (#    663:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:665      0 AMB  25-1:665    4.50    (#    665:25  Double Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 491, 492, 613,
 igr2= 526, 527, 526, 527,
 &end
#
#   38 LEU  MDX          33 HIS  HB+         3.50    (#    666:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 526, 527,
 &end
#
#   33 HIS  HA           33 HIS  HB-         3.50    (#    667:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 667, nxpk= 25, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:669     33 HIS  HB-         4.50    (#    669:25  Single Ambig)
 &rst
  ixpk= 669, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 491, 492, 613,
 igr2= 526, 527,
 &end
#
#   38 LEU  MDX          33 HIS  HB-         3.50    (#    670:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:673      0 AMB  25-1:673    3.50    (#    673:25  Double Ambig)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 217, 241,
 igr2= 210, 211, 210, 211,
 &end
#
#   14 PRO  HA           14 PRO  HB+         3.50    (#    674:25  Unique         2.27, 2.62 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 210, 211,
 &end
#
#    0 AMB  25-2:675      0 AMB  25-1:675    3.50    (#    675:25  Double Ambig)
 &rst
  ixpk= 675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 204, 205, 204, 205,
 igr2= 210, 211, 210, 211,
 &end
#
#   14 PRO  QG           14 PRO  HB+         2.50    (#    676:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 207, 208,
 igr2= 210, 211,
 &end
#
#    0 AMB  25-2:682     14 PRO  HB-         3.50    (#    682:25  Single Ambig)
 &rst
  ixpk= 682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 204, 205, 204, 205,
 igr2= 210, 211,
 &end
#
#    0 AMB  25-2:687     39 VAL  HB          3.50    (#    687:25  Single Ambig)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 783, 808, 809,
 &end
#
#   83 PRO  HD+          83 PRO  HB-         4.50    (#    688:25  Unique         2.89, 3.70 A)
 &rst
  ixpk= 688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1278,1279,
 igr2=1284,1285,
 &end
#
#    0 AMB  25-2:689      0 AMB  25-1:689    3.50    (#    689:25  Double Ambig)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1422,1287,
 igr2=1419,1420,1284,1285,
 &end
#
#    0 AMB  25-2:693      0 AMB  25-1:693    2.50    (#    693:25  Double Ambig)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602, 837, 838, 839, 841, 842, 843, 951, 952,
       953, 955, 956, 957,1113,1114,1115,1117,1118,1119,
      1113,1114,1115,1117,1118,1119,
 igr2= 835, 949,
 &end
#
#    0 AMB  25-2:694      0 AMB  25-1:694    3.50    (#    694:25  Double Ambig)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 961, 847,
 igr2= 949, 835,
 &end
#
#   61 VAL  HA           61 VAL  HB          4.50    (#    695:25  Unique         2.40, 2.42 A)
 &rst
  ixpk= 695, nxpk= 25, iat= 947, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:699      0 AMB  25-1:699    3.50    (#    699:25  Double Ambig)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 797,1107,
 igr2= 785,1111,
 &end
#
#   73 LEU  HN           72 VAL  HB          4.50    (#    700:25  Unique         2.79, 3.03 A)
 &rst
  ixpk= 700, nxpk= 25, iat=1123,1111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:701     72 VAL  HB          2.50    (#    701:25  Single Ambig)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,1132,1133,1134,1136,1137,1138,
      
 &end
#
#   59 MET  HN           59 MET  HG+         4.50    (#    702:25  Unique         2.35, 3.16 A)
 &rst
  ixpk= 702, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   59 MET  HA           59 MET  HG+         3.50    (#    703:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 703, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   59 MET  HB+          59 MET  HG+         3.50    (#    705:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   59 MET  HB-          59 MET  HG+         3.50    (#    706:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   67 ALA  MB           59 MET  HG+         4.50    (#    707:25  Unique         2.53, 4.54 A)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 923, 924,
 &end
#
#   59 MET  HN           59 MET  HG-         3.50    (#    708:25  Unique         2.35, 3.16 A)
 &rst
  ixpk= 708, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   59 MET  HA           59 MET  HG-         3.50    (#    709:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 709, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   59 MET  HB+          59 MET  HG-         2.50    (#    711:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   59 MET  HB-          59 MET  HG-         3.50    (#    712:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   67 ALA  MB           59 MET  HG-         4.50    (#    713:25  Unique         2.53, 4.54 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 923, 924,
 &end
#
#   39 VAL  HN           39 VAL  HB          3.50    (#    714:25  Unique         2.38, 2.46 A)
 &rst
  ixpk= 714, nxpk= 25, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  MGX          39 VAL  HB          2.50    (#    715:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  MGY          39 VAL  HB          3.50    (#    716:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:717      0 AMB  25-1:717    3.50    (#    717:25  Double Ambig)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1426,1450,
 igr2=1419,1420,1419,1420,
 &end
#
#   37 VAL  HN           37 VAL  HB          4.50    (#    718:25  Unique         2.40, 3.02 A)
 &rst
  ixpk= 718, nxpk= 25, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:719      0 AMB  25-1:719    4.50    (#    719:25  Double Ambig)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 995,1006,
 igr2= 986, 987, 986, 987,
 &end
#
#   64 ARG  HA           64 ARG  HB+         3.50    (#    720:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 720, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 986, 987,
 &end
#
#   64 ARG  QD           64 ARG  HB+         3.50    (#    721:25  Unique         2.19, 3.14 A)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 992, 993,
 igr2= 986, 987,
 &end
#
#   64 ARG  HA           64 ARG  HB-         3.50    (#    723:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 723, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 986, 987,
 &end
#
#   64 ARG  QD           64 ARG  HB-         4.50    (#    724:25  Unique         2.19, 3.14 A)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 992, 993,
 igr2= 986, 987,
 &end
#
#    0 AMB  25-2:726     64 ARG  HB-         3.50    (#    726:25  Single Ambig)
 &rst
  ixpk= 726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 596, 597, 598, 600, 601, 602, 596, 597,
       598, 600, 601, 602, 510,1132,1133,1134,1136,1137,
      1138,
 igr2= 986, 987,
 &end
#
#   17 GLU  HA           17 GLU  HB+         3.50    (#    727:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 727, nxpk= 25, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 255, 256,
 &end
#
#   17 GLU  QG           17 GLU  HB+         2.50    (#    728:25  Unique         2.27, 2.68 A)
 &rst
  ixpk= 728, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 258, 259,
 igr2= 255, 256,
 &end
#
#   49 VAL  HA           49 VAL  HB          3.50    (#    730:25  Unique         2.37, 2.59 A)
 &rst
  ixpk= 730, nxpk= 25, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:731      0 AMB  25-1:731    2.50    (#    731:25  Double Ambig)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,1132,1133,1134,1136,1137,1138,
 igr2= 785,1111,
 &end
#
#    0 AMB  25-2:732      0 AMB  25-1:732    3.50    (#    732:25  Double Ambig)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 241, 217, 251,
 igr2= 221, 222, 221, 222, 221, 222,
 &end
#
#   15 ARG  HA           15 ARG  HB+         3.50    (#    733:25  Unique         2.39, 2.70 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 221, 222,
 &end
#
#   15 ARG  HA           15 ARG  HB-         3.50    (#    734:25  Unique         2.39, 2.70 A)
 &rst
  ixpk= 734, nxpk= 25, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 221, 222,
 &end
#
#   15 ARG  HD-          15 ARG  HB-         3.50    (#    735:25  Unique         2.32, 3.10 A)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 221, 222,
 &end
#
#   92 ARG  HD-          92 ARG  HB+         3.50    (#    738:25  Unique         2.30, 3.16 A)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1436,1437,
 igr2=1430,1431,
 &end
#
#    0 AMB  25-2:739     15 ARG  HB-         3.50    (#    739:25  Single Ambig)
 &rst
  ixpk= 739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 241, 217, 251,
 igr2= 221, 222,
 &end
#
#   80 ALA  HN           79 PRO  HB+         4.50    (#    740:25  Unique         3.75, 4.22 A)
 &rst
  ixpk= 740, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1225,1226,
 &end
#
#    0 AMB  25-2:741      0 AMB  25-1:741    3.50    (#    741:25  Double Ambig)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1228,1219,1220,
 igr2=1225,1226,1225,1226,
 &end
#
#   79 PRO  HD+          79 PRO  HB+         4.50    (#    743:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 743, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1219,1220,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG+          79 PRO  HB+         2.50    (#    744:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG-          79 PRO  HB+         3.50    (#    745:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#    0 AMB  25-2:746     79 PRO  HB-         2.50    (#    746:25  Single Ambig)
 &rst
  ixpk= 746, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1228,1219,1220,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG+          79 PRO  HB-         3.50    (#    747:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG-          79 PRO  HB-         2.50    (#    749:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#   43 GLN  QG           43 GLN  QB          2.50    (#    752:25  Unique         2.25, 2.70 A)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 685, 686,
 igr2= 682, 683,
 &end
#
#   90 ARG  HN           90 ARG  HB+         3.50    (#    754:25  Unique         2.17, 3.07 A)
 &rst
  ixpk= 754, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   90 ARG  HA           90 ARG  HB+         3.50    (#    755:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 755, nxpk= 25, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   90 ARG  HN           90 ARG  HB-         3.50    (#    756:25  Unique         2.17, 3.07 A)
 &rst
  ixpk= 756, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   90 ARG  HA           90 ARG  HB-         3.50    (#    757:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 757, nxpk= 25, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   74 GLU  HN           74 GLU  HB-         4.50    (#    767:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 767, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1146,1147,
 &end
#
#   74 GLU  HG+          74 GLU  HB-         2.50    (#    768:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1149,1150,
 igr2=1146,1147,
 &end
#
#   75 TYR  HN           74 GLU  HB-         3.50    (#    769:25  Unique         2.57, 3.23 A)
 &rst
  ixpk= 769, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1146,1147,
 &end
#
#   74 GLU  HA           74 GLU  HB-         3.50    (#    770:25  Unique         2.47, 2.78 A)
 &rst
  ixpk= 770, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1146,1147,
 &end
#
#   74 GLU  HN           74 GLU  HB+         4.50    (#    771:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 771, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1146,1147,
 &end
#
#   74 GLU  HA           74 GLU  HB+         3.50    (#    772:25  Unique         2.47, 2.78 A)
 &rst
  ixpk= 772, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1146,1147,
 &end
#
#   74 GLU  HG+          74 GLU  HB+         3.50    (#    773:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,
 igr2=1146,1147,
 &end
#
#   71 GLU  HN           71 GLU  HB+         3.50    (#    777:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 777, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   71 GLU  HA           71 GLU  HB+         3.50    (#    778:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 778, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#    0 AMB  25-2:779      0 AMB  25-1:779    3.50    (#    779:25  Double Ambig)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1099,1100,1149,1150,
 igr2=1096,1097,1096,1097,
 &end
#
#   71 GLU  HN           71 GLU  HB-         3.50    (#    780:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 780, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   71 GLU  HA           71 GLU  HB-         3.50    (#    781:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 781, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   71 GLU  HG+          71 GLU  HB-         3.50    (#    782:25  Unique         2.27, 2.75 A)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#    0 AMB  25-2:783     31 LYS  QD          2.50    (#    783:25  Single Ambig)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 645, 646, 647, 610, 611, 488, 489,
 igr2= 491, 492,
 &end
#
#    0 AMB  25-2:784     31 LYS  QD          3.50    (#    784:25  Single Ambig)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 491, 492,
 &end
#
#   70 LYS  HN           70 LYS  QD          4.50    (#    785:25  Unique         2.51, 4.10 A)
 &rst
  ixpk= 785, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1080,1081,
 &end
#
#   75 TYR  HD           70 LYS  QD          4.50    (#    786:25  Unique         3.06, 6.16 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1080,1081,
 &end
#
#   70 LYS  QE           70 LYS  QD          2.50    (#    787:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1083,1084,
 igr2=1080,1081,
 &end
#
#   70 LYS  QG           70 LYS  QD          2.50    (#    789:25  Unique         2.34, 2.71 A)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1080,1081,
 &end
#
#   70 LYS  HA           70 LYS  QD          2.50    (#    790:25  Unique         2.26, 2.96 A)
 &rst
  ixpk= 790, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1080,1081,
 &end
#
#    0 AMB  25-2:792     31 LYS  QD          2.50    (#    792:25  Single Ambig)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 494, 495, 526, 527,
 igr2= 491, 492,
 &end
#
#   56 ILE  HA           56 ILE  HG1-        4.50    (#    800:25  Unique         2.53, 2.87 A)
 &rst
  ixpk= 800, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 886, 887,
 &end
#
#    0 AMB  25-2:803      0 AMB  25-1:803    4.50    (#    803:25  Double Ambig)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 551, 982,
 igr2= 555, 556, 555, 556,
 &end
#
#   35 GLU  HA           35 GLU  HB+         3.50    (#    804:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 555, 556,
 &end
#
#   35 GLU  HN           35 GLU  HB-         4.50    (#    806:25  Unique         2.89, 3.75 A)
 &rst
  ixpk= 806, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 555, 556,
 &end
#
#   83 PRO  HD+          83 PRO  HG-         3.50    (#    809:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#   83 PRO  HD-          83 PRO  HG-         3.50    (#    810:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#    0 AMB  25-2:812      0 AMB  25-1:812    5.50    (#    812:25  Double Ambig)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1426, 217,
 igr2=1416,1417, 207, 208,
 &end
#
#    0 AMB  25-2:814      0 AMB  25-1:814    3.50    (#    814:25  Double Ambig)
 &rst
  ixpk= 814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 213,1422,
 igr2= 207, 208,1416,1417,
 &end
#
#    0 AMB  25-2:815      0 AMB  25-1:815    2.50    (#    815:25  Double Ambig)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 204, 205, 204, 205,1413,1414,1413,1414,
 igr2= 207, 208,1416,1417,
 &end
#
#   14 PRO  HB+          14 PRO  QG          2.50    (#    816:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 210, 211,
 igr2= 207, 208,
 &end
#
#   83 PRO  HD-          83 PRO  HG+         3.50    (#    818:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#   83 PRO  HD+          83 PRO  HG+         3.50    (#    819:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#   84 VAL  MGX          83 PRO  HG+         4.50    (#    822:25  Unique         4.54, 6.99 A)
 &rst
  ixpk= 822, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2=1281,1282,
 &end
#
#   86 ILE  MG2          56 ILE  HG1-        3.50    (#    826:25  Unique         2.21, 3.81 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1324,1325,1326,
 igr2= 886, 887,
 &end
#
#   52 ALA  MB           91 PRO  QG          5.50    (#    828:25  Unique         2.26, 4.96 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 825, 826, 827,
 igr2=1416,1417,
 &end
#
#   73 LEU  HN           73 LEU  HG          3.50    (#    831:25  Unique         2.29, 2.51 A)
 &rst
  ixpk= 831, nxpk= 25, iat=1123,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 LEU  HA           73 LEU  HG          4.50    (#    832:25  Unique         2.40, 3.15 A)
 &rst
  ixpk= 832, nxpk= 25, iat=1125,1130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:833     38 LEU  HG          4.50    (#    833:25  Single Ambig)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527, 494, 495,
 &end
#
#   38 LEU  MDY          38 LEU  HG          2.50    (#    834:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 615, 616, 617, 619, 620, 621,
 &end
#
#   39 VAL  HN           38 LEU  HG          5.50    (#    835:25  Unique         2.55, 4.47 A)
 &rst
  ixpk= 835, nxpk= 25, iat= 625, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLY  HA+          38 LEU  HG          5.50    (#    836:25  Unique         2.84, 5.34 A)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 799, 800,
 &end
#
#   76 LEU  MDX          76 LEU  HG          3.50    (#    849:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:850     76 LEU  HG          2.50    (#    850:25  Single Ambig)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#   39 VAL  HA           38 LEU  HG          7.00    (#    851:25  Unique         5.03, 6.62 A)
 &rst
  ixpk= 851, nxpk= 25, iat= 627, 613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   90 ARG  HN           90 ARG  QG          3.50    (#    854:25  Unique         1.99, 3.24 A)
 &rst
  ixpk= 854, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#    0 AMB  25-2:855     90 ARG  QG          3.50    (#    855:25  Single Ambig)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390, 806,
 igr2=1395,1396,
 &end
#
#   76 LEU  HN           76 LEU  MDY         3.50    (#    862:25  Unique         3.71, 4.51 A)
 &rst
  ixpk= 862, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   75 TYR  HD           76 LEU  MDY         4.50    (#    863:25  Unique         2.66, 6.55 A)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1165,1174,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HA           76 LEU  MDY         3.50    (#    864:25  Unique         2.17, 3.84 A)
 &rst
  ixpk= 864, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HG           76 LEU  MDY         2.50    (#    865:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 865, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   86 ILE  MG2          76 LEU  MDY         3.50    (#    866:25  Unique         3.91, 6.01 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1324,1325,1326,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:868     38 LEU  MDX         3.50    (#    868:25  Single Ambig)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 606, 625,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   38 LEU  HA           38 LEU  MDX         5.50    (#    870:25  Unique         2.19, 3.90 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   37 VAL  HA            0 AMB  25-1:871    5.50    (#    871:25  Single Ambig)
 &rst
  ixpk= 871, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 615, 616, 617, 619, 620, 621,1132,1133,1134,1136,
      1137,1138,
 &end
#
#   33 HIS  HB+          38 LEU  MDX         3.50    (#    872:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 526, 527,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:873     38 LEU  MDX         3.50    (#    873:25  Single Ambig)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 494, 495, 526, 527,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:874     38 LEU  MDX         2.50    (#    874:25  Single Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 825, 826, 827, 610, 611,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:875      0 AMB  25-1:875    2.50    (#    875:25  Double Ambig)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 466, 467,1182,1183,
 igr2= 469,1187,1188,1189,1191,1192,1193,
 &end
#
#   30 LEU  HB-          30 LEU  HG          3.50    (#    876:25  Unique         2.28, 2.69 A)
 &rst
  ixpk= 876, nxpk= 25, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 466, 467,
 &end
#
#   80 ALA  HN           79 PRO  HG+         3.50    (#    877:25  Unique         2.79, 3.74 A)
 &rst
  ixpk= 877, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1222,1223,
 &end
#
#   78 ASN  HA           79 PRO  HG+         5.50    (#    878:25  Unique         4.42, 4.55 A)
 &rst
  ixpk= 878, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD+          79 PRO  HG+         3.50    (#    879:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD-          79 PRO  HG+         3.50    (#    880:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD+          79 PRO  HG-         3.50    (#    882:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD-          79 PRO  HG-         3.50    (#    883:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 883, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   73 LEU  HN           73 LEU  MDX         3.50    (#    885:25  Unique         1.88, 4.33 A)
 &rst
  ixpk= 885, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   73 LEU  HA           73 LEU  MDX         3.50    (#    886:25  Unique         2.18, 3.82 A)
 &rst
  ixpk= 886, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   31 LYS  HA           73 LEU  MDX         4.50    (#    887:25  Unique         2.60, 4.06 A)
 &rst
  ixpk= 887, nxpk= 25, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   73 LEU  HB+          73 LEU  MDX         2.50    (#    888:25  Unique         2.42, 3.35 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1127,1128,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  25-2:889     73 LEU  MDX         2.50    (#    889:25  Single Ambig)
 &rst
  ixpk= 889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 507, 508,1130, 986, 987,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   32 LEU  HA            0 AMB  25-1:890    5.50    (#    890:25  Single Ambig)
 &rst
  ixpk= 890, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=1132,1133,1134,1136,1137,1138, 615, 616, 617, 619,
       620, 621,
 &end
#
#   50 GLY  HA+          38 LEU  MDX         4.50    (#    891:25  Unique         2.39, 5.50 A)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 799, 800,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   50 GLY  HA-          38 LEU  MDX         4.50    (#    892:25  Unique         2.39, 5.50 A)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 799, 800,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   36 ARG  HD-          38 LEU  MDX         7.00    (#    893:25  Unique         3.02, 6.95 A)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 576, 577,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:899     73 LEU  MDX         2.50    (#    899:25  Single Ambig)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 507, 508,1127,1128,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   32 LEU  HN           73 LEU  MDX         4.50    (#    900:25  Unique         2.36, 4.50 A)
 &rst
  ixpk= 900, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   64 ARG  HE           32 LEU  MDY         5.50    (#    911:25  Unique         2.38, 4.36 A)
 &rst
  ixpk= 911, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   65 TYR  HE           32 LEU  MDY         4.50    (#    912:25  Unique         5.32, 7.39 A)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1016,1021,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HA           32 LEU  MDY         3.50    (#    913:25  Unique         2.34, 3.93 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   37 VAL  HA           32 LEU  MDY         4.50    (#    914:25  Unique         3.24, 5.50 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HA           32 LEU  MDY         4.50    (#    916:25  Unique         2.21, 4.07 A)
 &rst
  ixpk= 916, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  QD           32 LEU  MDY         3.50    (#    917:25  Unique         2.19, 4.23 A)
 &rst
  ixpk= 917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 992, 993,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:918     32 LEU  MDY         4.50    (#    918:25  Single Ambig)
 &rst
  ixpk= 918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 558, 559, 555, 556,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:919     32 LEU  MDY         2.50    (#    919:25  Single Ambig)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 986, 987, 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HB-          32 LEU  MDY         2.50    (#    920:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   70 LYS  HN           70 LYS  QG          5.50    (#    929:25  Unique         2.06, 2.94 A)
 &rst
  ixpk= 929, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1077,1078,
 &end
#
#   70 LYS  HA           70 LYS  QG          3.50    (#    930:25  Unique         2.62, 3.52 A)
 &rst
  ixpk= 930, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1077,1078,
 &end
#
#   70 LYS  QE           70 LYS  QG          3.50    (#    931:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1083,1084,
 igr2=1077,1078,
 &end
#
#   70 LYS  HB-          70 LYS  QG          3.50    (#    932:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1074,1075,
 igr2=1077,1078,
 &end
#
#   70 LYS  QD           70 LYS  QG          2.50    (#    933:25  Unique         2.34, 2.71 A)
 &rst
  ixpk= 933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1080,1081,
 igr2=1077,1078,
 &end
#
#   66 THR  MG2          70 LYS  QG          5.50    (#    934:25  Unique         3.75, 5.01 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1033,1034,1035,
 igr2=1077,1078,
 &end
#
#    0 AMB  25-2:935      0 AMB  25-1:935    4.50    (#    935:25  Double Ambig)
 &rst
  ixpk= 935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 995,1006,
 igr2= 989, 990, 989, 990,
 &end
#
#   64 ARG  HN           64 ARG  HG+         4.50    (#    937:25  Unique         2.02, 3.14 A)
 &rst
  ixpk= 937, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-2:938      0 AMB  25-1:938    2.50    (#    938:25  Double Ambig)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 507, 508, 134, 135, 137, 466, 467,
 igr2=1132,1133,1134,1136,1137,1138, 139, 140, 141, 143,
       144, 145,
 &end
#
#   33 HIS  HN           32 LEU  MDY         4.50    (#    942:25  Unique         2.22, 4.56 A)
 &rst
  ixpk= 942, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HN           32 LEU  MDY         4.50    (#    943:25  Unique         2.91, 4.95 A)
 &rst
  ixpk= 943, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  QD           64 ARG  HG-         3.50    (#    945:25  Unique         2.24, 2.70 A)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 992, 993,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-2:947     31 LYS  HG-         2.50    (#    947:25  Single Ambig)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 494, 495, 526, 527,
 igr2= 488, 489,
 &end
#
#   10 ASP  HN            9 LEU  MDY         4.50    (#    950:25  Unique         2.08, 4.71 A)
 &rst
  ixpk= 950, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#   31 LYS  HN           31 LYS  HG-         4.50    (#    954:25  Unique         2.36, 3.65 A)
 &rst
  ixpk= 954, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:955     31 LYS  HG-         4.50    (#    955:25  Single Ambig)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 483, 524,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:956     31 LYS  HG-         2.50    (#    956:25  Single Ambig)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 485, 486, 491, 492, 610, 611,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:957      0 AMB  25-1:957    2.50    (#    957:25  Double Ambig)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 485, 486, 491, 492, 610, 611,
 igr2= 488, 489, 488, 489, 488, 489,
 &end
#
#    0 AMB  25-2:958      0 AMB  25-1:958    4.50    (#    958:25  Double Ambig)
 &rst
  ixpk= 958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 483, 524,
 igr2= 488, 489, 488, 489,
 &end
#
#    9 LEU  HA            9 LEU  MDY         3.50    (#    959:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 959, nxpk= 25, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#    0 AMB  25-2:962      9 LEU  MDY         2.50    (#    962:25  Single Ambig)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 134, 135, 137,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#   32 LEU  HA           37 VAL  MGY         4.50    (#    966:25  Unique         2.22, 4.52 A)
 &rst
  ixpk= 966, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   33 HIS  HN           32 LEU  MDX         3.50    (#    967:25  Unique         2.22, 4.56 A)
 &rst
  ixpk= 967, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HN           32 LEU  MDX         3.50    (#    968:25  Unique         2.91, 4.95 A)
 &rst
  ixpk= 968, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  HE           32 LEU  MDX         5.50    (#    970:25  Unique         2.38, 4.36 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   36 ARG  HN           32 LEU  MDX         4.50    (#    971:25  Unique         2.45, 5.03 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   65 TYR  HE           32 LEU  MDX         4.50    (#    973:25  Unique         5.32, 7.39 A)
 &rst
  ixpk= 973, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1016,1021,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HA           32 LEU  MDX         3.50    (#    975:25  Unique         2.34, 3.93 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HA           32 LEU  MDX         3.50    (#    977:25  Unique         2.21, 4.07 A)
 &rst
  ixpk= 977, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  QD           32 LEU  MDX         3.50    (#    978:25  Unique         2.19, 4.23 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 992, 993,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:979     32 LEU  MDX         4.50    (#    979:25  Single Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 558, 559, 555, 556,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:980     32 LEU  MDX         2.50    (#    980:25  Single Ambig)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 986, 987, 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HB-          32 LEU  MDX         2.50    (#    981:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   25 PRO  HD+          25 PRO  QG          2.50    (#    987:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 380, 381,
 igr2= 383, 384,
 &end
#
#    0 AMB  25-2:988     25 PRO  QG          2.50    (#    988:25  Single Ambig)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 380, 381, 389,
 igr2= 383, 384,
 &end
#
#   25 PRO  HB+          25 PRO  QG          2.50    (#    989:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 386, 387,
 igr2= 383, 384,
 &end
#
#   32 LEU  HN           73 LEU  MDY         3.50    (#   1000:25  Unique         2.36, 4.50 A)
 &rst
  ixpk= 1000, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   37 VAL  HA           37 VAL  MGY         2.50    (#   1001:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1001, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  25-2:1002    37 VAL  MGY         2.50    (#   1002:25  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 835, 594,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   61 VAL  HN           72 VAL  MGX         5.50    (#   1004:25  Unique         5.82, 7.42 A)
 &rst
  ixpk= 1004, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1012    38 LEU  MDY         2.50    (#   1012:25  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 823, 608,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   50 GLY  HA-          38 LEU  MDY         4.50    (#   1013:25  Unique         2.39, 5.50 A)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 799, 800,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   33 HIS  HB+          38 LEU  MDY         5.50    (#   1014:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 526, 527,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:1015    38 LEU  MDY         2.50    (#   1015:25  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 825, 826, 827, 610, 611,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   31 LYS  HA           73 LEU  MDY         4.50    (#   1017:25  Unique         2.60, 4.06 A)
 &rst
  ixpk= 1017, nxpk= 25, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   66 THR  HN           72 VAL  MGX         4.50    (#   1019:25  Unique         3.18, 5.43 A)
 &rst
  ixpk= 1019, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1020     0 AMB  25-1:1020   3.50    (#   1020:25  Double Ambig)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1123, 481,
 igr2=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119, 596, 597, 598, 600, 601, 602,
 &end
#
#   72 VAL  HN           72 VAL  MGX         2.50    (#   1021:25  Unique         2.11, 3.74 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   65 TYR  HN           72 VAL  MGX         4.50    (#   1022:25  Unique         3.58, 5.67 A)
 &rst
  ixpk= 1022, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   75 TYR  HD           72 VAL  MGX         4.50    (#   1024:25  Unique         3.89, 6.80 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1165,1174,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   65 TYR  HA           72 VAL  MGX         3.50    (#   1025:25  Unique         2.43, 5.00 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   64 ARG  HA            0 AMB  25-1:1026   4.50    (#   1026:25  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 596, 597, 598, 600, 601, 602,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   73 LEU  HA           73 LEU  MDY         2.50    (#   1027:25  Unique         2.18, 3.82 A)
 &rst
  ixpk= 1027, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   72 VAL  HA           72 VAL  MGX         2.50    (#   1030:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 1030, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1032     0 AMB  25-1:1032   4.50    (#   1032:25  Double Ambig)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1096,1097,1096,1097,
 igr2=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,
 &end
#
#    0 AMB  25-2:1033     0 AMB  25-1:1033   2.50    (#   1033:25  Double Ambig)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1111,1130,
 igr2= 596, 597, 598, 600, 601, 602,1132,1133,1134,1136,
      1137,1138,1113,1114,1115,1117,1118,1119,
 &end
#
#   40 ALA  HN           30 LEU  MDX         4.50    (#   1034:25  Unique         2.93, 5.18 A)
 &rst
  ixpk= 1034, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   31 LYS  HN           30 LEU  MDX         4.50    (#   1035:25  Unique         3.40, 5.25 A)
 &rst
  ixpk= 1035, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   30 LEU  HN           30 LEU  MDX         3.50    (#   1036:25  Unique         3.02, 4.83 A)
 &rst
  ixpk= 1036, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   88 PHE  HD           30 LEU  MDX         4.50    (#   1037:25  Unique         4.47, 7.51 A)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1369,1377,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   29 LEU  HA           30 LEU  MDX         4.50    (#   1039:25  Unique         2.73, 5.41 A)
 &rst
  ixpk= 1039, nxpk= 25, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   39 VAL  HA           30 LEU  MDX         2.50    (#   1040:25  Unique         2.09, 4.11 A)
 &rst
  ixpk= 1040, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   39 VAL  HB           30 LEU  MDX         4.50    (#   1041:25  Unique         4.60, 6.58 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   30 LEU  HB+          30 LEU  MDX         2.50    (#   1042:25  Unique         2.37, 3.37 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 466, 467,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#    0 AMB  25-2:1043    30 LEU  MDX         4.50    (#   1043:25  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 645, 646, 647, 610, 611,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   30 LEU  HB-          30 LEU  MDX         2.50    (#   1044:25  Unique         2.37, 3.37 A)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 466, 467,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   86 ILE  MG2          30 LEU  MDX         5.50    (#   1045:25  Unique         3.30, 6.25 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1324,1325,1326,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   10 ASP  HN            9 LEU  MDX         4.50    (#   1049:25  Unique         2.08, 4.71 A)
 &rst
  ixpk= 1049, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#    0 AMB  25-2:1052     9 LEU  MDX         2.50    (#   1052:25  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 134, 135, 137,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#    9 LEU  HA            9 LEU  MDX         3.50    (#   1056:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1056, nxpk= 25, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#   32 LEU  HA           38 LEU  MDY         5.50    (#   1061:25  Unique         3.98, 6.55 A)
 &rst
  ixpk= 1061, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   30 LEU  HA           30 LEU  MDX         3.50    (#   1063:25  Unique         2.19, 3.91 A)
 &rst
  ixpk= 1063, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   76 LEU  HN           76 LEU  MDX         3.50    (#   1069:25  Unique         3.71, 4.51 A)
 &rst
  ixpk= 1069, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:1071    76 LEU  MDX         3.50    (#   1071:25  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 368, 373,1251,1252,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HA           76 LEU  MDX         3.50    (#   1072:25  Unique         2.17, 3.84 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HG           76 LEU  MDX         2.50    (#   1074:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   86 ILE  MG2          76 LEU  MDX         3.50    (#   1075:25  Unique         3.91, 6.01 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1324,1325,1326,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   75 TYR  HB-          76 LEU  MDX         4.50    (#   1076:25  Unique         4.39, 6.28 A)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1161,1162,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   41 PHE  HB-          49 VAL  MGX         5.50    (#   1078:25  Unique         4.31, 6.64 A)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 655, 656,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   50 GLY  HN           49 VAL  MGX         4.50    (#   1079:25  Unique         2.63, 4.48 A)
 &rst
  ixpk= 1079, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   42 GLY  HN           49 VAL  MGX         3.50    (#   1080:25  Unique         2.31, 4.95 A)
 &rst
  ixpk= 1080, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   41 PHE  HA           49 VAL  MGX         3.50    (#   1081:25  Unique         2.16, 4.11 A)
 &rst
  ixpk= 1081, nxpk= 25, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HA           49 VAL  MGX         3.50    (#   1082:25  Unique         2.31, 3.44 A)
 &rst
  ixpk= 1082, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   43 GLN  QG           49 VAL  MGX         4.50    (#   1083:25  Unique         2.39, 5.90 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 685, 686,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   78 ASN  HN           76 LEU  MDX         5.50    (#   1085:25  Unique         5.71, 7.51 A)
 &rst
  ixpk= 1085, nxpk= 25, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   39 VAL  HA           49 VAL  MGX         5.50    (#   1091:25  Unique         4.78, 7.14 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HB           49 VAL  MGX         2.50    (#   1092:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#    0 AMB  25-2:1093    66 THR  MG2         5.50    (#   1093:25  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1107, 961,
 igr2=1033,1034,1035,
 &end
#
#   40 ALA  HN           39 VAL  MGX         5.50    (#   1094:25  Unique         2.75, 4.46 A)
 &rst
  ixpk= 1094, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1095     0 AMB  25-1:1095   3.50    (#   1095:25  Double Ambig)
 &rst
  ixpk= 1095, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1123, 821,
 igr2=1113,1114,1115,1117,1118,1119, 856, 857, 858, 860,
       861, 862,
 &end
#
#   88 PHE  HD            0 AMB  25-1:1097   3.50    (#   1097:25  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1369,1377,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#   52 ALA  HA            0 AMB  25-1:1099   4.50    (#   1099:25  Single Ambig)
 &rst
  ixpk= 1099, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#    0 AMB  25-2:1100     0 AMB  25-1:1100   2.50    (#   1100:25  Double Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 627,1125,
 igr2= 631, 632, 633, 635, 636, 637,1113,1114,1115,1117,
      1118,1119,
 &end
#
#    0 AMB  25-2:1101     0 AMB  25-1:1101   2.50    (#   1101:25  Double Ambig)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 808, 809, 833,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#    0 AMB  25-2:1102     0 AMB  25-1:1102   4.50    (#   1102:25  Double Ambig)
 &rst
  ixpk= 1102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 808, 809,1365,1366,1365,1366,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#   39 VAL  HB           39 VAL  MGX         2.50    (#   1103:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1104     0 AMB  25-1:1104   2.50    (#   1104:25  Double Ambig)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 835, 594, 949,
 igr2= 837, 838, 839, 841, 842, 843,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   86 ILE  MG2          53 VAL  MGX         2.50    (#   1105:25  Unique         2.32, 4.12 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1324,1325,1326,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  25-2:1106     0 AMB  25-1:1106   2.50    (#   1106:25  Double Ambig)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 625,1381,1388,
 igr2= 631, 632, 633, 635, 636, 637, 856, 857, 858, 860,
       861, 862,
 &end
#
#   88 PHE  HA           54 LEU  MDY         4.50    (#   1107:25  Unique         2.39, 4.85 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-2:1108     0 AMB  25-1:1108   3.50    (#   1108:25  Double Ambig)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 804, 876,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#   65 TYR  HN           61 VAL  MGX         4.50    (#   1112:25  Unique         4.93, 5.97 A)
 &rst
  ixpk= 1112, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   61 VAL  HN           61 VAL  MGX         2.50    (#   1113:25  Unique         2.18, 3.26 A)
 &rst
  ixpk= 1113, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   61 VAL  HA           61 VAL  MGX         2.50    (#   1115:25  Unique         2.38, 3.51 A)
 &rst
  ixpk= 1115, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   38 LEU  MDY          52 ALA  MB          2.50    (#   1119:25  Unique         2.24, 5.02 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:1121    52 ALA  MB          4.50    (#   1121:25  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 613, 570, 571,
 igr2= 825, 826, 827,
 &end
#
#   22 PHE  HN           21 THR  MG2         4.50    (#   1122:25  Unique         2.43, 4.33 A)
 &rst
  ixpk= 1122, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 319, 320, 321,
 &end
#
#   85 SER  HA           21 THR  MG2         4.50    (#   1124:25  Unique         2.63, 3.78 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 319, 320, 321,
 &end
#
#   21 THR  HA           21 THR  MG2         3.50    (#   1125:25  Unique         2.29, 2.94 A)
 &rst
  ixpk= 1125, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 319, 320, 321,
 &end
#
#   21 THR  HB           21 THR  MG2         2.50    (#   1126:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 319, 320, 321,
 &end
#
#   50 GLY  HA-          49 VAL  MGX         5.50    (#   1129:25  Unique         3.59, 5.94 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 799, 800,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   66 THR  HN           66 THR  MG2         3.50    (#   1131:25  Unique         2.34, 3.22 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1033,1034,1035,
 &end
#
#    0 AMB  25-2:1132    66 THR  MG2         3.50    (#   1132:25  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1041,1092,
 igr2=1033,1034,1035,
 &end
#
#    0 AMB  25-2:1134    66 THR  MG2         4.50    (#   1134:25  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1051,1006,
 igr2=1033,1034,1035,
 &end
#
#   57 ASN  HD2-         84 VAL  MGX         4.50    (#   1135:25  Unique         1.84, 5.12 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 904, 905,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   57 ASN  HD2+         84 VAL  MGX         4.50    (#   1136:25  Unique         1.84, 5.12 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 904, 905,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   75 TYR  HD            0 AMB  25-1:1137   4.50    (#   1137:25  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1165,1174,
 igr2=1033,1034,1035,1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1138    84 VAL  MGX         4.50    (#   1138:25  Single Ambig)
 &rst
  ixpk= 1138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1167,1172, 368, 373,1251,1252,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   65 TYR  HA           66 THR  MG2         4.50    (#   1140:25  Unique         3.84, 4.99 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1033,1034,1035,
 &end
#
#   84 VAL  HA           84 VAL  MGX         3.50    (#   1141:25  Unique         2.37, 3.52 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1143     0 AMB  25-1:1143   2.50    (#   1143:25  Double Ambig)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1031,1029,1180,
 igr2=1033,1034,1035,1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1144    84 VAL  MGX         5.50    (#   1144:25  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 317,1311,1312,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   72 VAL  HA           66 THR  MG2         3.50    (#   1146:25  Unique         2.90, 3.83 A)
 &rst
  ixpk= 1146, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1033,1034,1035,
 &end
#
#    0 AMB  25-2:1147     0 AMB  25-1:1147   4.50    (#   1147:25  Double Ambig)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 331, 332,1161,1162,
 igr2=1297,1298,1299,1301,1302,1303,1033,1034,1035,
 &end
#
#    0 AMB  25-2:1150     0 AMB  25-1:1150   2.50    (#   1150:25  Double Ambig)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1295,1074,1075,
 igr2=1297,1298,1299,1301,1302,1303,1033,1034,1035,
 &end
#
#    0 AMB  25-2:1151    66 THR  MG2         3.50    (#   1151:25  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 880,1077,1078,
 igr2=1033,1034,1035,
 &end
#
#   86 ILE  MG2          84 VAL  MGX         5.50    (#   1153:25  Unique         5.21, 7.72 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1324,1325,1326,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   72 VAL  HA           72 VAL  MGY         2.50    (#   1154:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 1154, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1156     0 AMB  25-1:1156   3.50    (#   1156:25  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
 igr1= 986, 987, 466, 467,1392,1393,1182,1183, 466, 467,
       613,
 igr2=1113,1114,1115,1117,1118,1119, 837, 838, 839, 841,
       842, 843, 856, 857, 858, 860, 861, 862, 631, 632,
       633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1157     0 AMB  25-1:1157   3.50    (#   1157:25  Double Ambig)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 886, 887, 870, 871, 872,
 igr2= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
       861, 862,
 &end
#
#   54 LEU  HA           54 LEU  MDY         2.50    (#   1159:25  Unique         2.14, 3.78 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-2:1160     0 AMB  25-1:1160   3.50    (#   1160:25  Double Ambig)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 680,1422,
 igr2= 631, 632, 633, 635, 636, 637, 856, 857, 858, 860,
       861, 862,
 &end
#
#    0 AMB  25-2:1161     0 AMB  25-1:1161   2.50    (#   1161:25  Double Ambig)
 &rst
  ixpk= 1161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 851, 852, 825, 826, 827, 986, 987,
 igr2= 856, 857, 858, 860, 861, 862,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   40 ALA  HN           39 VAL  MGY         4.50    (#   1164:25  Unique         2.75, 4.46 A)
 &rst
  ixpk= 1164, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  HN           39 VAL  MGY         3.50    (#   1165:25  Unique         2.12, 3.80 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   51 HIS  HN           39 VAL  MGY         4.50    (#   1166:25  Unique         3.53, 4.64 A)
 &rst
  ixpk= 1166, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   41 PHE  HN           39 VAL  MGY         3.50    (#   1167:25  Unique         2.90, 4.88 A)
 &rst
  ixpk= 1167, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  HA           39 VAL  MGY         3.50    (#   1169:25  Unique         2.47, 3.15 A)
 &rst
  ixpk= 1169, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1170    39 VAL  MGY         2.50    (#   1170:25  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 783, 808, 809,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  HB           39 VAL  MGY         2.50    (#   1171:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1171, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   52 ALA  HN           52 ALA  MB          3.50    (#   1174:25  Unique         2.35, 3.04 A)
 &rst
  ixpk= 1174, nxpk= 25, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:1175    52 ALA  MB          4.50    (#   1175:25  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1381,1388, 625,
 igr2= 825, 826, 827,
 &end
#
#   52 ALA  HA           52 ALA  MB          2.50    (#   1177:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1177, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:1178    52 ALA  MB          4.50    (#   1178:25  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1390, 806, 849,
 igr2= 825, 826, 827,
 &end
#
#   91 PRO  HA           52 ALA  MB          4.50    (#   1179:25  Unique         2.11, 3.10 A)
 &rst
  ixpk= 1179, nxpk= 25, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 825, 826, 827,
 &end
#
#   58 GLY  HN           55 ALA  MB          3.50    (#   1184:25  Unique         3.18, 4.21 A)
 &rst
  ixpk= 1184, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 870, 871, 872,
 &end
#
#   60 ASP  HN           55 ALA  MB          3.50    (#   1185:25  Unique         3.78, 4.51 A)
 &rst
  ixpk= 1185, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 870, 871, 872,
 &end
#
#   56 ILE  HN           55 ALA  MB          2.50    (#   1186:25  Unique         2.55, 3.38 A)
 &rst
  ixpk= 1186, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 870, 871, 872,
 &end
#
#    0 AMB  25-2:1187    55 ALA  MB          3.50    (#   1187:25  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 866, 945,
 igr2= 870, 871, 872,
 &end
#
#   60 ASP  HA           55 ALA  MB          2.50    (#   1190:25  Unique         2.22, 3.09 A)
 &rst
  ixpk= 1190, nxpk= 25, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 870, 871, 872,
 &end
#
#   58 GLY  HA+          55 ALA  MB          3.50    (#   1191:25  Unique         3.16, 4.95 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 911, 912,
 igr2= 870, 871, 872,
 &end
#
#   60 ASP  HB+          55 ALA  MB          4.50    (#   1194:25  Unique         3.45, 5.09 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 937, 938,
 igr2= 870, 871, 872,
 &end
#
#    0 AMB  25-2:1196    55 ALA  MB          3.50    (#   1196:25  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 856, 857, 858, 860, 861, 862, 951, 952, 953, 955,
       956, 957, 886, 887,
 igr2= 870, 871, 872,
 &end
#
#   86 ILE  MG2          55 ALA  MB          5.50    (#   1198:25  Unique         5.55, 7.04 A)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1324,1325,1326,
 igr2= 870, 871, 872,
 &end
#
#    0 AMB  25-2:1201    84 VAL  MGX         3.50    (#   1201:25  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1307, 347,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1213    94 THR  MG2         3.50    (#   1213:25  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1471,1452,
 igr2=1475,1476,1477,
 &end
#
#   94 THR  HB           94 THR  MG2         2.50    (#   1214:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=1473,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1475,1476,1477,
 &end
#
#    0 AMB  25-2:1221    37 VAL  MGX         3.50    (#   1221:25  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 606,1107,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 VAL  HN           37 VAL  MGX         3.50    (#   1222:25  Unique         2.00, 3.81 A)
 &rst
  ixpk= 1222, nxpk= 25, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 VAL  HA           37 VAL  MGX         2.50    (#   1223:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1223, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   64 ARG  HA           37 VAL  MGX         3.50    (#   1224:25  Unique         2.07, 4.07 A)
 &rst
  ixpk= 1224, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  25-2:1225     0 AMB  25-1:1225   5.50    (#   1225:25  Double Ambig)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1125,1278,1279,
 igr2= 596, 597, 598, 600, 601, 602,1297,1298,1299,1301,
      1302,1303,
 &end
#
#    0 AMB  25-2:1226    37 VAL  MGX         2.50    (#   1226:25  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 835, 594,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  25-2:1227    37 VAL  MGX         2.50    (#   1227:25  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1111,1130,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   54 LEU  HN           53 VAL  MGY         3.50    (#   1228:25  Unique         2.53, 4.10 A)
 &rst
  ixpk= 1228, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   55 ALA  HN           53 VAL  MGY         3.50    (#   1229:25  Unique         2.79, 4.84 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  25-2:1230    53 VAL  MGY         4.50    (#   1230:25  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 849, 878,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   53 VAL  HA           53 VAL  MGY         2.50    (#   1231:25  Unique         2.45, 3.24 A)
 &rst
  ixpk= 1231, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  25-2:1232    53 VAL  MGY         2.50    (#   1232:25  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 835, 594,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   56 ILE  HG1+         53 VAL  MGY         3.50    (#   1233:25  Unique         2.34, 4.35 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 886, 887,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   86 ILE  MG2          53 VAL  MGY         2.50    (#   1235:25  Unique         2.32, 4.12 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1324,1325,1326,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   41 PHE  HB+          40 ALA  MB          4.50    (#   1237:25  Unique         3.41, 5.00 A)
 &rst
  ixpk= 1237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 655, 656,
 igr2= 645, 646, 647,
 &end
#
#   88 PHE  HD           53 VAL  MGY         4.50    (#   1242:25  Unique         2.99, 6.34 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1369,1377,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   40 ALA  HN           40 ALA  MB          2.50    (#   1246:25  Unique         2.47, 2.98 A)
 &rst
  ixpk= 1246, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 645, 646, 647,
 &end
#
#   31 LYS  HN           40 ALA  MB          4.50    (#   1247:25  Unique         2.80, 4.22 A)
 &rst
  ixpk= 1247, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 645, 646, 647,
 &end
#
#   30 LEU  HN           40 ALA  MB          5.50    (#   1248:25  Unique         3.39, 4.30 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 645, 646, 647,
 &end
#
#   41 PHE  HN           40 ALA  MB          3.50    (#   1249:25  Unique         2.47, 3.41 A)
 &rst
  ixpk= 1249, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 645, 646, 647,
 &end
#
#   30 LEU  HA           40 ALA  MB          3.50    (#   1250:25  Unique         2.52, 3.72 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 645, 646, 647,
 &end
#
#   40 ALA  HA           40 ALA  MB          2.50    (#   1251:25  Unique         2.41, 2.68 A)
 &rst
  ixpk= 1251, nxpk= 25, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 645, 646, 647,
 &end
#
#   31 LYS  QE           40 ALA  MB          4.50    (#   1252:25  Unique         4.11, 5.83 A)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 494, 495,
 igr2= 645, 646, 647,
 &end
#
#    0 AMB  25-2:1253    40 ALA  MB          2.50    (#   1253:25  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 491, 492, 485, 486, 447, 448,
 igr2= 645, 646, 647,
 &end
#
#    0 AMB  25-2:1254    40 ALA  MB          4.50    (#   1254:25  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 645, 646, 647,
 &end
#
#    0 AMB  25-2:1255    40 ALA  MB          4.50    (#   1255:25  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 igr2= 645, 646, 647,
 &end
#
#   39 VAL  HA           40 ALA  MB          4.50    (#   1256:25  Unique         4.23, 4.94 A)
 &rst
  ixpk= 1256, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 645, 646, 647,
 &end
#
#   43 GLN  HA           49 VAL  MGY         4.50    (#   1257:25  Unique         2.61, 6.01 A)
 &rst
  ixpk= 1257, nxpk= 25, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   40 ALA  MB           49 VAL  MGY         4.50    (#   1259:25  Unique         4.61, 7.57 A)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 645, 646, 647,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   50 GLY  HN           49 VAL  MGY         3.50    (#   1260:25  Unique         2.63, 4.48 A)
 &rst
  ixpk= 1260, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   51 HIS  HN           49 VAL  MGY         5.50    (#   1261:25  Unique         5.07, 6.13 A)
 &rst
  ixpk= 1261, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   42 GLY  HN           49 VAL  MGY         4.50    (#   1263:25  Unique         2.31, 4.95 A)
 &rst
  ixpk= 1263, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   40 ALA  HA           49 VAL  MGY         3.50    (#   1264:25  Unique         2.30, 5.62 A)
 &rst
  ixpk= 1264, nxpk= 25, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HA           49 VAL  MGY         3.50    (#   1265:25  Unique         2.31, 3.44 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   41 PHE  HB+          49 VAL  MGY         5.50    (#   1266:25  Unique         4.31, 6.64 A)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 655, 656,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   43 GLN  QG           49 VAL  MGY         4.50    (#   1267:25  Unique         2.39, 5.90 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 685, 686,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HB           49 VAL  MGY         2.50    (#   1268:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1268, nxpk= 25, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   62 ASN  HN           61 VAL  MGY         4.50    (#   1270:25  Unique         3.62, 4.72 A)
 &rst
  ixpk= 1270, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   56 ILE  HN           61 VAL  MGY         4.50    (#   1271:25  Unique         2.78, 4.73 A)
 &rst
  ixpk= 1271, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   61 VAL  HN           61 VAL  MGY         2.50    (#   1272:25  Unique         2.18, 3.26 A)
 &rst
  ixpk= 1272, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   66 THR  HA           61 VAL  MGY         3.50    (#   1273:25  Unique         2.20, 4.49 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#    0 AMB  25-2:1274    61 VAL  MGY         3.50    (#   1274:25  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 947, 977, 978,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#    0 AMB  25-2:1275    61 VAL  MGY         2.50    (#   1275:25  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 949, 835,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   56 ILE  HG1+         61 VAL  MGY         3.50    (#   1276:25  Unique         2.42, 4.69 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 886, 887,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   75 TYR  HD           84 VAL  MGY         4.50    (#   1277:25  Unique         3.81, 7.39 A)
 &rst
  ixpk= 1277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1165,1174,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   76 LEU  HA           84 VAL  MGY         4.50    (#   1278:25  Unique         3.41, 5.20 A)
 &rst
  ixpk= 1278, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   81 ASN  HB+          84 VAL  MGY         5.50    (#   1279:25  Unique         2.42, 6.01 A)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1246,1247,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   84 VAL  HB           84 VAL  MGY         2.50    (#   1280:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 1280, nxpk= 25, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   63 GLY  HN           61 VAL  MGY         5.50    (#   1282:25  Unique         2.70, 5.24 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   54 LEU  HA           61 VAL  MGY         3.50    (#   1284:25  Unique         2.60, 4.66 A)
 &rst
  ixpk= 1284, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#    0 AMB  25-2:1285    84 VAL  MGY         3.50    (#   1285:25  Single Ambig)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1307, 347,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1287    84 VAL  MGY         2.50    (#   1287:25  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1167,1172, 368, 373,1251,1252,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   84 VAL  HA           84 VAL  MGY         3.50    (#   1289:25  Unique         2.37, 3.52 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   82 TYR  HA           84 VAL  MGY         3.50    (#   1290:25  Unique         3.40, 5.14 A)
 &rst
  ixpk= 1290, nxpk= 25, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1294    16 ALA  MB          3.50    (#   1294:25  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 251, 241,
 igr2= 245, 246, 247,
 &end
#
#    0 AMB  25-2:1295    16 ALA  MB          5.50    (#   1295:25  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 253,1390,
 igr2= 245, 246, 247,
 &end
#
#   16 ALA  HA           16 ALA  MB          2.50    (#   1296:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 1296, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 245, 246, 247,
 &end
#
#   17 GLU  QG           16 ALA  MB          4.50    (#   1299:25  Unique         2.54, 5.57 A)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 258, 259,
 igr2= 245, 246, 247,
 &end
#
#   67 ALA  HN           67 ALA  MB          2.50    (#   1308:25  Unique         2.39, 2.82 A)
 &rst
  ixpk= 1308, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1045,1046,1047,
 &end
#
#   60 ASP  HN           67 ALA  MB          4.50    (#   1309:25  Unique         3.12, 4.58 A)
 &rst
  ixpk= 1309, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1045,1046,1047,
 &end
#
#   68 ASP  HN           67 ALA  MB          3.50    (#   1311:25  Unique         2.58, 3.40 A)
 &rst
  ixpk= 1311, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1045,1046,1047,
 &end
#
#    0 AMB  25-2:1312    67 ALA  MB          4.50    (#   1312:25  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053, 935,
 igr2=1045,1046,1047,
 &end
#
#    0 AMB  25-2:1313    67 ALA  MB          3.50    (#   1313:25  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1031,1029,
 igr2=1045,1046,1047,
 &end
#
#   67 ALA  HA           67 ALA  MB          2.50    (#   1314:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1045,1046,1047,
 &end
#
#    0 AMB  25-2:1315    67 ALA  MB          3.50    (#   1315:25  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 923, 924, 937, 938,
 igr2=1045,1046,1047,
 &end
#
#   59 MET  HB-          67 ALA  MB          2.50    (#   1317:25  Unique         2.32, 3.76 A)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 920, 921,
 igr2=1045,1046,1047,
 &end
#
#   88 PHE  HD           86 ILE  MG2         3.50    (#   1321:25  Unique         2.27, 5.04 A)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1369,1377,
 igr2=1324,1325,1326,
 &end
#
#   86 ILE  HA           86 ILE  MG2         3.50    (#   1322:25  Unique         2.44, 3.08 A)
 &rst
  ixpk= 1322, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:1323    86 ILE  MG2         2.50    (#   1323:25  Single Ambig)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1322,1328,1329,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:1324    86 ILE  MG2         2.50    (#   1324:25  Single Ambig)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1331,1332,1333, 837, 838, 839, 841, 842, 843, 471,
       472, 473, 475, 476, 477,
 igr2=1324,1325,1326,
 &end
#
#   13 ALA  HN           13 ALA  MB          3.50    (#   1328:25  Unique         2.44, 3.22 A)
 &rst
  ixpk= 1328, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 197, 198, 199,
 &end
#
#   13 ALA  HA           13 ALA  MB          2.50    (#   1329:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 197, 198, 199,
 &end
#
#    0 AMB  25-2:1331    13 ALA  MB          2.50    (#   1331:25  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 204, 205, 204, 205,
 igr2= 197, 198, 199,
 &end
#
#   80 ALA  HN           80 ALA  MB          2.50    (#   1337:25  Unique         2.50, 2.89 A)
 &rst
  ixpk= 1337, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1236,1237,1238,
 &end
#
#   82 TYR  HN           80 ALA  MB          5.50    (#   1338:25  Unique         5.29, 5.68 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1236,1237,1238,
 &end
#
#   78 ASN  HD2-         80 ALA  MB          4.50    (#   1339:25  Unique         2.05, 3.98 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1213,1214,
 igr2=1236,1237,1238,
 &end
#
#   80 ALA  HA           80 ALA  MB          2.50    (#   1340:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1236,1237,1238,
 &end
#
#    0 AMB  25-2:1341    80 ALA  MB          5.50    (#   1341:25  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1219,1220,1278,1279,
 igr2=1236,1237,1238,
 &end
#
#   79 PRO  HG+          80 ALA  MB          4.50    (#   1342:25  Unique         4.05, 6.09 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1222,1223,
 igr2=1236,1237,1238,
 &end
#
#   57 ASN  HN           56 ILE  MG2         3.50    (#   1351:25  Unique         2.63, 3.31 A)
 &rst
  ixpk= 1351, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 882, 883, 884,
 &end
#
#   85 SER  HN           56 ILE  MG2         5.50    (#   1352:25  Unique         3.65, 4.79 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HN           56 ILE  MG2         4.50    (#   1353:25  Unique         4.33, 4.77 A)
 &rst
  ixpk= 1353, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HD2+         56 ILE  MG2         4.50    (#   1354:25  Unique         2.19, 4.08 A)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 904, 905,
 igr2= 882, 883, 884,
 &end
#
#   75 TYR  HD           56 ILE  MG2         3.50    (#   1355:25  Unique         2.50, 5.67 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1165,1174,
 igr2= 882, 883, 884,
 &end
#
#   75 TYR  HE           56 ILE  MG2         4.50    (#   1356:25  Unique         2.34, 5.13 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1167,1172,
 igr2= 882, 883, 884,
 &end
#
#   86 ILE  HA           56 ILE  MG2         4.50    (#   1357:25  Unique         3.59, 4.68 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HA           56 ILE  MG2         2.50    (#   1358:25  Unique         2.46, 3.12 A)
 &rst
  ixpk= 1358, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HB+          56 ILE  MG2         4.50    (#   1359:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HB-          56 ILE  MG2         3.50    (#   1360:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 899, 900,
 igr2= 882, 883, 884,
 &end
#
#   84 VAL  HB           56 ILE  MG2         3.50    (#   1361:25  Unique         2.37, 3.27 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HB           56 ILE  MG2         2.50    (#   1362:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HG1+         56 ILE  MG2         2.50    (#   1363:25  Unique         2.49, 3.53 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 886, 887,
 igr2= 882, 883, 884,
 &end
#
#   86 ILE  MG2          56 ILE  MG2         4.50    (#   1364:25  Unique         3.59, 5.87 A)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1324,1325,1326,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HD2-         56 ILE  MG2         3.50    (#   1371:25  Unique         2.19, 4.08 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 904, 905,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HN           56 ILE  MD1         4.50    (#   1400:25  Unique         4.45, 5.19 A)
 &rst
  ixpk= 1400, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 889, 890, 891,
 &end
#
#   75 TYR  HD           56 ILE  MD1         3.50    (#   1401:25  Unique         2.61, 5.61 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1165,1174,
 igr2= 889, 890, 891,
 &end
#
#    0 AMB  25-2:1402     0 AMB  25-1:1402   3.50    (#   1402:25  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 368, 373,1167,1172,
 igr2=1331,1332,1333, 889, 890, 891,
 &end
#
#   86 ILE  HA           86 ILE  MD1         4.50    (#   1403:25  Unique         2.49, 4.62 A)
 &rst
  ixpk= 1403, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1331,1332,1333,
 &end
#
#   56 ILE  HA           86 ILE  MD1         4.50    (#   1404:25  Unique         2.69, 5.51 A)
 &rst
  ixpk= 1404, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1331,1332,1333,
 &end
#
#    0 AMB  25-2:1405     0 AMB  25-1:1405   4.50    (#   1405:25  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1029,1180,1031,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   72 VAL  HA           56 ILE  MD1         3.50    (#   1406:25  Unique         3.40, 4.19 A)
 &rst
  ixpk= 1406, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 889, 890, 891,
 &end
#
#   22 PHE  HB-          86 ILE  MD1         4.50    (#   1407:25  Unique         2.62, 4.15 A)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 331, 332,
 igr2=1331,1332,1333,
 &end
#
#   76 LEU  HG           56 ILE  MD1         2.50    (#   1408:25  Unique         2.32, 3.36 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 889, 890, 891,
 &end
#
#   56 ILE  HB           56 ILE  MD1         2.50    (#   1409:25  Unique         2.40, 3.12 A)
 &rst
  ixpk= 1409, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 889, 890, 891,
 &end
#
#    0 AMB  25-2:1410     0 AMB  25-1:1410   2.50    (#   1410:25  Double Ambig)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 886, 887, 886, 887,
 igr2=1331,1332,1333, 889, 890, 891,
 &end
#
#   22 PHE  HE           86 ILE  MD1         4.50    (#   1412:25  Unique         3.13, 6.03 A)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 337, 341,
 igr2=1331,1332,1333,
 &end
#
#    0 AMB  25-2:1414     0 AMB  25-1:1414   2.50    (#   1414:25  Double Ambig)
 &rst
  ixpk= 1414, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1111,1328,1329,1322,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   86 ILE  MG2          86 ILE  MD1         2.50    (#   1415:25  Unique         2.22, 3.67 A)
 &rst
  ixpk= 1415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1324,1325,1326,
 igr2=1331,1332,1333,
 &end
#
#   21 THR  MG2          21 THR  HA          4.50    (#   1429:25  Unique         2.29, 2.94 A)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 320, 321,
 &end
#
#   22 PHE  HN           21 THR  HA          4.50    (#   1431:25  Unique         2.17, 2.26 A)
 &rst
  ixpk= 1431, nxpk= 25, iat= 327, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HN           65 TYR  HA          2.50    (#   1433:25  Unique         2.32, 2.39 A)
 &rst
  ixpk= 1433, nxpk= 25, iat=1027,1008, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   72 VAL  HN           65 TYR  HA          3.50    (#   1434:25  Unique         2.56, 2.72 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=1107,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HN           65 TYR  HA          3.50    (#   1435:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HD           65 TYR  HA          3.50    (#   1436:25  Unique         2.45, 3.57 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1014,1023,
 &end
#
#   71 GLU  HA           65 TYR  HA          3.50    (#   1437:25  Unique         2.26, 2.40 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=1094,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HB+          65 TYR  HA          3.50    (#   1438:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#    0 AMB  25-2:1439    65 TYR  HA          4.50    (#   1439:25  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   65 TYR  HB-          65 TYR  HA          3.50    (#   1440:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   84 VAL  MGX          85 SER  HA          7.00    (#   1441:25  Unique         3.95, 6.02 A)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   85 SER  HN           85 SER  HA          3.50    (#   1442:25  Unique         2.92, 2.97 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=1307,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 THR  HA           85 SER  HA          3.50    (#   1443:25  Unique         1.95, 2.06 A)
 &rst
  ixpk= 1443, nxpk= 25, iat= 315,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1444    85 SER  HA          3.50    (#   1444:25  Single Ambig)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   86 ILE  HN           85 SER  HA          2.50    (#   1445:25  Unique         2.22, 2.29 A)
 &rst
  ixpk= 1445, nxpk= 25, iat=1318,1309, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   54 LEU  HN           88 PHE  HA          3.50    (#   1447:25  Unique         2.38, 2.56 A)
 &rst
  ixpk= 1447, nxpk= 25, iat= 847,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 GLY  HN           88 PHE  HA          3.50    (#   1448:25  Unique         2.32, 2.43 A)
 &rst
  ixpk= 1448, nxpk= 25, iat=1381,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 PHE  HD           88 PHE  HA          4.50    (#   1449:25  Unique         2.69, 3.94 A)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1369,1377,
 &end
#
#   53 VAL  HA           88 PHE  HA          3.50    (#   1450:25  Unique         2.14, 2.43 A)
 &rst
  ixpk= 1450, nxpk= 25, iat= 833,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 PHE  HB+          88 PHE  HA          3.50    (#   1451:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1365,1366,
 &end
#
#   88 PHE  HB-          88 PHE  HA          3.50    (#   1452:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1365,1366,
 &end
#
#   54 LEU  MDY          88 PHE  HA          3.50    (#   1454:25  Unique         2.39, 4.85 A)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   40 ALA  MB           30 LEU  HA          4.50    (#   1459:25  Unique         2.52, 3.72 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 645, 646, 647,
 &end
#
#   31 LYS  HN           30 LEU  HA          2.50    (#   1460:25  Unique         2.28, 2.38 A)
 &rst
  ixpk= 1460, nxpk= 25, iat= 481, 464, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   30 LEU  HN           30 LEU  HA          3.50    (#   1461:25  Unique         2.92, 2.96 A)
 &rst
  ixpk= 1461, nxpk= 25, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  HA           30 LEU  HA          3.50    (#   1462:25  Unique         2.33, 2.54 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 627, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1463    30 LEU  HA          3.50    (#   1463:25  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 466, 467, 491, 492,
 &end
#
#   30 LEU  HB-          30 LEU  HA          4.50    (#   1464:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#    0 AMB  25-2:1465    30 LEU  HA          2.50    (#   1465:25  Single Ambig)
 &rst
  ixpk= 1465, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 &end
#
#   39 VAL  HN           38 LEU  HA          2.50    (#   1466:25  Unique         2.24, 2.29 A)
 &rst
  ixpk= 1466, nxpk= 25, iat= 625, 608, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   38 LEU  HB+          38 LEU  HA          4.50    (#   1467:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1467, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#    0 AMB  25-2:1468    38 LEU  HA          3.50    (#   1468:25  Single Ambig)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 610, 611, 825, 826, 827,
 &end
#
#   38 LEU  MDY          38 LEU  HA          2.50    (#   1469:25  Unique         2.19, 3.90 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 615, 616, 617, 619, 620, 621,
 &end
#
#   38 LEU  MDY          52 ALA  HA          3.50    (#   1471:25  Unique         2.14, 4.41 A)
 &rst
  ixpk= 1471, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 615, 616, 617, 619, 620, 621,
 &end
#
#   52 ALA  MB           52 ALA  HA          2.50    (#   1473:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 825, 826, 827,
 &end
#
#   79 PRO  HD+          78 ASN  HA          2.50    (#   1476:25  Unique         2.20, 2.40 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1219,1220,
 &end
#
#   78 ASN  HB+          78 ASN  HA          3.50    (#   1477:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1208,1209,
 &end
#
#   78 ASN  HB-          78 ASN  HA          3.50    (#   1478:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1478, nxpk= 25, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1208,1209,
 &end
#
#   78 ASN  HN           78 ASN  HA          3.50    (#   1479:25  Unique         2.74, 2.85 A)
 &rst
  ixpk= 1479, nxpk= 25, iat=1204,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1480    66 THR  HB          5.50    (#   1480:25  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070, 916,
 &end
#
#   59 MET  HB-          66 THR  HB          4.50    (#   1481:25  Unique         2.54, 3.75 A)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   22 PHE  HN           21 THR  HB          5.50    (#   1483:25  Unique         2.73, 3.14 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 327, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 SER  HA           21 THR  HB          5.50    (#   1485:25  Unique         4.17, 4.43 A)
 &rst
  ixpk= 1485, nxpk= 25, iat=1309, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 TYR  HD           72 VAL  HA          4.50    (#   1488:25  Unique         3.54, 4.70 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   73 LEU  HN           72 VAL  HA          5.50    (#   1489:25  Unique         3.56, 3.60 A)
 &rst
  ixpk= 1489, nxpk= 25, iat=1123,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  HN           72 VAL  HA          5.50    (#   1490:25  Unique         4.39, 4.53 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=1027,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1492    72 VAL  HA          7.00    (#   1492:25  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1167,1172,1251,1252,
 &end
#
#    0 AMB  25-2:1493    72 VAL  HA          5.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1092,1041,
 &end
#
#   74 GLU  HN           72 VAL  HA          5.50    (#   1494:25  Unique         4.16, 4.39 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=1142,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HA           72 VAL  HA          5.50    (#   1495:25  Unique         4.27, 4.53 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=1008,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1496    72 VAL  HA          4.50    (#   1496:25  Single Ambig)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1094,1029,1031,
 &end
#
#   75 TYR  HA           72 VAL  HA          5.50    (#   1497:25  Unique         4.87, 5.08 A)
 &rst
  ixpk= 1497, nxpk= 25, iat=1159,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1499    72 VAL  HA          4.50    (#   1499:25  Single Ambig)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1185,1099,1100,1096,1097,
 &end
#
#    0 AMB  25-2:1501    72 VAL  HA          5.50    (#   1501:25  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 880,1077,1078,
 &end
#
#   82 TYR  HD           23 SER  QB          4.50    (#   1503:25  Unique         2.55, 6.20 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1264,1273,
 igr2= 351, 352,
 &end
#
#   82 TYR  HE           23 SER  QB          7.00    (#   1504:25  Unique         3.21, 7.67 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1266,1271,
 igr2= 351, 352,
 &end
#
#   24 TYR  QB           23 SER  QB          4.50    (#   1505:25  Unique         4.43, 5.89 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 362, 363,
 igr2= 351, 352,
 &end
#
#   51 HIS  HN           49 VAL  HA          4.50    (#   1508:25  Unique         3.13, 3.38 A)
 &rst
  ixpk= 1508, nxpk= 25, iat= 804, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1510    79 PRO  HA          4.50    (#   1510:25  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1232,1251,1252,
 &end
#
#   81 ASN  HN           79 PRO  HA          5.50    (#   1511:25  Unique         3.16, 3.24 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=1242,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HA           79 PRO  HA          5.50    (#   1512:25  Unique         4.46, 4.49 A)
 &rst
  ixpk= 1512, nxpk= 25, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 TYR  HA           79 PRO  HA          5.50    (#   1513:25  Unique         3.54, 3.90 A)
 &rst
  ixpk= 1513, nxpk= 25, iat=1258,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1514    49 VAL  HA          4.50    (#   1514:25  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 643, 799, 800,
 &end
#
#   24 TYR  QB           79 PRO  HA          5.50    (#   1517:25  Unique         4.87, 5.86 A)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 362, 363,
 &end
#
#   96 ASN  HN           95 SER  QB          4.50    (#   1520:25  Unique         2.20, 3.69 A)
 &rst
  ixpk= 1520, nxpk= 25, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1487,1488,
 &end
#
#   55 ALA  HN           53 VAL  HA          4.50    (#   1521:25  Unique         3.87, 3.98 A)
 &rst
  ixpk= 1521, nxpk= 25, iat= 866, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 PHE  HD           53 VAL  HA          5.50    (#   1522:25  Unique         2.53, 4.53 A)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#   12 TYR  HD           11 SER  QB          5.50    (#   1524:25  Unique         2.49, 5.54 A)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 180, 189,
 igr2= 165, 166,
 &end
#
#   85 SER  HA           85 SER  HB+         3.50    (#   1525:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 1525, nxpk= 25, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#   95 SER  HA           95 SER  QB          2.50    (#   1526:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1487,1488,
 &end
#
#    0 AMB  25-2:1528     0 AMB  25-1:1528   5.50    (#   1528:25  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 176, 177, 899, 900,
 igr2= 165, 166,1311,1312,
 &end
#
#   21 THR  MG2          85 SER  HB-         5.50    (#   1530:25  Unique         3.40, 4.88 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 319, 320, 321,
 igr2=1311,1312,
 &end
#
#   21 THR  MG2          85 SER  HB+         5.50    (#   1531:25  Unique         3.40, 4.88 A)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 319, 320, 321,
 igr2=1311,1312,
 &end
#
#   86 ILE  MG2          53 VAL  HA          4.50    (#   1534:25  Unique         3.57, 4.30 A)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   53 VAL  HB           53 VAL  HA          4.50    (#   1535:25  Unique         2.22, 2.90 A)
 &rst
  ixpk= 1535, nxpk= 25, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1537    53 VAL  HA          4.50    (#   1537:25  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 851, 852, 825, 826, 827,
 &end
#
#   39 VAL  HN           39 VAL  HA          5.50    (#   1538:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HN           39 VAL  HA          4.50    (#   1539:25  Unique         3.54, 3.78 A)
 &rst
  ixpk= 1539, nxpk= 25, iat= 651, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LYS  HN           39 VAL  HA          5.50    (#   1540:25  Unique         3.85, 4.12 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 481, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HA           39 VAL  HA          4.50    (#   1542:25  Unique         2.33, 2.54 A)
 &rst
  ixpk= 1542, nxpk= 25, iat= 464, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HB           39 VAL  HA          4.50    (#   1543:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1544    39 VAL  HA          4.50    (#   1544:25  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 466, 467, 610, 611, 491, 492,
 &end
#
#    0 AMB  25-2:1545    39 VAL  HA          4.50    (#   1545:25  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 645, 646, 647, 610, 611, 488, 489,
 &end
#
#   78 ASN  HD2+         75 TYR  HA          5.50    (#   1552:25  Unique         3.68, 5.21 A)
 &rst
  ixpk= 1552, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1213,1214,
 &end
#
#    0 AMB  25-2:1555    75 TYR  HA          4.50    (#   1555:25  Single Ambig)
 &rst
  ixpk= 1555, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1204,1213,1214,
 &end
#
#   76 LEU  HN           75 TYR  HA          4.50    (#   1556:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 1556, nxpk= 25, iat=1178,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 LEU  HA           75 TYR  HA          5.50    (#   1557:25  Unique         4.75, 4.77 A)
 &rst
  ixpk= 1557, nxpk= 25, iat=1180,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HB-          75 TYR  HA          4.50    (#   1558:25  Unique         3.17, 3.71 A)
 &rst
  ixpk= 1558, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#    0 AMB  25-2:1559    75 TYR  HA          5.50    (#   1559:25  Single Ambig)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,1246,1247,
 &end
#
#    0 AMB  25-2:1560    75 TYR  HA          5.50    (#   1560:25  Single Ambig)
 &rst
  ixpk= 1560, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1185,1096,1097,
 &end
#
#    0 AMB  25-2:1561    75 TYR  HA          5.50    (#   1561:25  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1080,1081,1182,1183,
 &end
#
#   25 PRO  HB+          25 PRO  HA          4.50    (#   1562:25  Unique         2.26, 2.52 A)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 386, 387,
 &end
#
#   24 TYR  HD           25 PRO  HA          4.50    (#   1564:25  Unique         2.57, 4.45 A)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 366, 375,
 &end
#
#    0 AMB  25-2:1565    25 PRO  HA          5.50    (#   1565:25  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271, 368, 373,
 &end
#
#    0 AMB  25-2:1567    66 THR  HA          5.50    (#   1567:25  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1051,1006,
 &end
#
#   61 VAL  HN           66 THR  HA          5.50    (#   1568:25  Unique         5.02, 5.21 A)
 &rst
  ixpk= 1568, nxpk= 25, iat= 945,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL  HB           66 THR  HA          4.50    (#   1570:25  Unique         2.90, 3.36 A)
 &rst
  ixpk= 1570, nxpk= 25, iat= 949,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HN           61 VAL  HA          4.50    (#   1572:25  Unique         3.25, 3.42 A)
 &rst
  ixpk= 1572, nxpk= 25, iat=1041, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLY  HN           61 VAL  HA          5.50    (#   1573:25  Unique         4.39, 4.74 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 975, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1574    61 VAL  HA          5.50    (#   1574:25  Single Ambig)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1006,1051,
 &end
#
#   56 ILE  HN           61 VAL  HA          5.50    (#   1575:25  Unique         5.08, 5.25 A)
 &rst
  ixpk= 1575, nxpk= 25, iat= 876, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 ASN  HB+          61 VAL  HA          5.50    (#   1577:25  Unique         4.16, 4.47 A)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 966,
 &end
#
#    0 AMB  25-2:1578    61 VAL  HA          5.50    (#   1578:25  Single Ambig)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 965, 966, 937, 938,
 &end
#
#   60 ASP  HA           61 VAL  HA          4.50    (#   1579:25  Unique         4.36, 4.41 A)
 &rst
  ixpk= 1579, nxpk= 25, iat= 935, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  MB           61 VAL  HA          4.50    (#   1580:25  Unique         4.18, 5.27 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045,1046,1047,
 &end
#
#   57 ASN  HB+          56 ILE  HA          5.50    (#   1587:25  Unique         4.58, 5.35 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#   86 ILE  MG2          56 ILE  HA          5.50    (#   1588:25  Unique         3.21, 4.43 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#   76 LEU  HN           73 LEU  HA          5.50    (#   1592:25  Unique         3.40, 3.66 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=1178,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 GLU  HN           73 LEU  HA          5.50    (#   1593:25  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1593, nxpk= 25, iat=1142,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  HN           71 GLU  HA          5.50    (#   1594:25  Unique         3.83, 3.99 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=1027,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LEU  HN           71 GLU  HA          4.50    (#   1595:25  Unique         4.13, 4.25 A)
 &rst
  ixpk= 1595, nxpk= 25, iat=1123,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1597     0 AMB  25-1:1597   4.50    (#   1597:25  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1016,1021, 182, 187,
 igr2=1094, 163,
 &end
#
#   64 ARG  QD           35 GLU  HA          5.50    (#   1599:25  Unique         2.35, 3.80 A)
 &rst
  ixpk= 1599, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 992, 993,
 &end
#
#   64 ARG  HB+          35 GLU  HA          5.50    (#   1600:25  Unique         2.68, 4.67 A)
 &rst
  ixpk= 1600, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 986, 987,
 &end
#
#   32 LEU  HB-          35 GLU  HA          5.50    (#   1601:25  Unique         5.55, 6.16 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 507, 508,
 &end
#
#   64 ARG  HB-          35 GLU  HA          5.50    (#   1602:25  Unique         2.68, 4.67 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 986, 987,
 &end
#
#   81 ASN  HN           82 TYR  HA          5.50    (#   1605:25  Unique         4.23, 4.38 A)
 &rst
  ixpk= 1605, nxpk= 25, iat=1242,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 TYR  HE           82 TYR  HA          5.50    (#   1606:25  Unique         2.21, 5.11 A)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 373,
 &end
#
#   65 TYR  HE           65 TYR  HA          5.50    (#   1607:25  Unique         4.75, 5.41 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1016,1021,
 &end
#
#   84 VAL  MGX          82 TYR  HA          4.50    (#   1608:25  Unique         3.40, 5.14 A)
 &rst
  ixpk= 1608, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   72 VAL  HB           65 TYR  HA          5.50    (#   1611:25  Unique         4.11, 4.50 A)
 &rst
  ixpk= 1611, nxpk= 25, iat=1111,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1612    65 TYR  HA          5.50    (#   1612:25  Single Ambig)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,1096,1097,
 &end
#
#   71 GLU  HG+          65 TYR  HA          5.50    (#   1613:25  Unique         3.86, 4.72 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#   81 ASN  HB+          82 TYR  HA          5.50    (#   1614:25  Unique         4.51, 5.32 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1246,1247,
 &end
#
#    0 AMB  25-2:1615    85 SER  HA          4.50    (#   1615:25  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 &end
#
#   21 THR  MG2          85 SER  HA          4.50    (#   1616:25  Unique         2.63, 3.78 A)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 320, 321,
 &end
#
#    0 AMB  25-2:1617    85 SER  HA          4.50    (#   1617:25  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1328,1329,1322,
 &end
#
#   22 PHE  HE           85 SER  HA          7.00    (#   1618:25  Unique         4.63, 6.71 A)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 337, 341,
 &end
#
#   22 PHE  HD           85 SER  HA          7.00    (#   1619:25  Unique         3.27, 5.63 A)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 335, 343,
 &end
#
#   22 PHE  HN           85 SER  HA          3.50    (#   1620:25  Unique         3.23, 3.38 A)
 &rst
  ixpk= 1620, nxpk= 25, iat= 327,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 ILE  MG2          85 SER  HA          5.50    (#   1621:25  Unique         6.21, 6.62 A)
 &rst
  ixpk= 1621, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#    0 AMB  25-2:1622    35 GLU  HA          7.00    (#   1622:25  Single Ambig)
 &rst
  ixpk= 1622, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 541, 984,
 &end
#
#    0 AMB  25-2:1624    88 PHE  HA          5.50    (#   1624:25  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 849, 806,
 &end
#
#   89 GLY  QA           88 PHE  HA          5.50    (#   1625:25  Unique         4.12, 4.47 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1383,1384,
 &end
#
#   55 ALA  HN           88 PHE  HA          5.50    (#   1627:25  Unique         3.98, 4.10 A)
 &rst
  ixpk= 1627, nxpk= 25, iat= 866,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 ILE  MG2          88 PHE  HA          5.50    (#   1630:25  Unique         3.93, 5.20 A)
 &rst
  ixpk= 1630, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#   24 TYR  QB           24 TYR  HA          3.50    (#   1631:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 1631, nxpk= 25, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 362, 363,
 &end
#
#   25 PRO  HB+          24 TYR  HA          5.50    (#   1634:25  Unique         4.38, 4.74 A)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   24 TYR  HD           24 TYR  HA          3.50    (#   1636:25  Unique         2.49, 3.53 A)
 &rst
  ixpk= 1636, nxpk= 25, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 366, 375,
 &end
#
#   24 TYR  HN           24 TYR  HA          4.50    (#   1640:25  Unique         2.90, 2.95 A)
 &rst
  ixpk= 1640, nxpk= 25, iat= 358, 360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1641    67 ALA  HA          5.50    (#   1641:25  Single Ambig)
 &rst
  ixpk= 1641, nxpk= 25, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 945,
 &end
#
#   62 ASN  HD2-         67 ALA  HA          5.50    (#   1642:25  Unique         5.20, 6.40 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 970, 971,
 &end
#
#   78 ASN  HN           76 LEU  HA          5.50    (#   1643:25  Unique         3.63, 4.18 A)
 &rst
  ixpk= 1643, nxpk= 25, iat=1204,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HN           30 LEU  HA          5.50    (#   1644:25  Unique         3.79, 4.00 A)
 &rst
  ixpk= 1644, nxpk= 25, iat= 651, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HN           30 LEU  HA          4.50    (#   1645:25  Unique         1.88, 2.12 A)
 &rst
  ixpk= 1645, nxpk= 25, iat= 641, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1646    30 LEU  HA          4.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 483,
 &end
#
#   90 ARG  QG           16 ALA  HA          7.00    (#   1648:25  Unique         2.47, 4.92 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1395,1396,
 &end
#
#   17 GLU  HB+          16 ALA  HA          7.00    (#   1649:25  Unique         4.18, 5.51 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 255, 256,
 &end
#
#   90 ARG  QD           16 ALA  HA          5.50    (#   1651:25  Unique         2.37, 5.24 A)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1398,1399,
 &end
#
#    0 AMB  25-2:1654    16 ALA  HA          5.50    (#   1654:25  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1381,
 &end
#
#   62 ASN  HN           62 ASN  HA          4.50    (#   1657:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 1657, nxpk= 25, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLY  HN           62 ASN  HA          2.50    (#   1658:25  Unique         2.17, 2.40 A)
 &rst
  ixpk= 1658, nxpk= 25, iat= 975, 963, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:1659    62 ASN  HA          5.50    (#   1659:25  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 977, 978, 947,
 &end
#
#   63 GLY  HA-          62 ASN  HA          5.50    (#   1660:25  Unique         4.25, 4.41 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 977, 978,
 &end
#
#   62 ASN  HB+          62 ASN  HA          3.50    (#   1661:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1661, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 966,
 &end
#
#   62 ASN  HB-          62 ASN  HA          3.50    (#   1662:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 966,
 &end
#
#    0 AMB  25-2:1663    62 ASN  HA          7.00    (#   1663:25  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   80 ALA  HN           79 PRO  HD-         4.50    (#   1665:25  Unique         2.86, 3.52 A)
 &rst
  ixpk= 1665, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1219,1220,
 &end
#
#   82 TYR  HE           79 PRO  HD+         5.50    (#   1669:25  Unique         3.61, 5.90 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2=1219,1220,
 &end
#
#    0 AMB  25-2:1670     0 AMB  25-1:1670   5.50    (#   1670:25  Double Ambig)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1204,1213,1214,
 igr2=1219,1220,1219,1220,
 &end
#
#   78 ASN  HB-          79 PRO  HD+         5.50    (#   1673:25  Unique         4.20, 4.79 A)
 &rst
  ixpk= 1673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1208,1209,
 igr2=1219,1220,
 &end
#
#   78 ASN  HB-          79 PRO  HD-         5.50    (#   1674:25  Unique         4.20, 4.79 A)
 &rst
  ixpk= 1674, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1208,1209,
 igr2=1219,1220,
 &end
#
#   78 ASN  HB+          79 PRO  HD+         5.50    (#   1676:25  Unique         4.20, 4.79 A)
 &rst
  ixpk= 1676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1208,1209,
 igr2=1219,1220,
 &end
#
#   79 PRO  HB-          79 PRO  HD-         4.50    (#   1677:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1225,1226,
 igr2=1219,1220,
 &end
#
#   79 PRO  HB-          79 PRO  HD+         4.50    (#   1678:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1225,1226,
 igr2=1219,1220,
 &end
#
#   13 ALA  HN           14 PRO  HD+         5.50    (#   1682:25  Unique         1.61, 4.10 A)
 &rst
  ixpk= 1682, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   13 ALA  HN           14 PRO  HD-         5.50    (#   1683:25  Unique         1.61, 4.10 A)
 &rst
  ixpk= 1683, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   15 ARG  HN           14 PRO  HD+         5.50    (#   1684:25  Unique         2.74, 4.81 A)
 &rst
  ixpk= 1684, nxpk= 25, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   15 ARG  HN           14 PRO  HD-         5.50    (#   1685:25  Unique         2.74, 4.81 A)
 &rst
  ixpk= 1685, nxpk= 25, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   12 TYR  HD           14 PRO  HD+         5.50    (#   1686:25  Unique         2.12, 6.10 A)
 &rst
  ixpk= 1686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 180, 189,
 igr2= 204, 205,
 &end
#
#   12 TYR  HD           14 PRO  HD-         5.50    (#   1687:25  Unique         2.12, 6.10 A)
 &rst
  ixpk= 1687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 180, 189,
 igr2= 204, 205,
 &end
#
#   12 TYR  HE           14 PRO  HD+         5.50    (#   1688:25  Unique         3.16, 6.62 A)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 187,
 igr2= 204, 205,
 &end
#
#   12 TYR  HE           14 PRO  HD-         5.50    (#   1689:25  Unique         3.16, 6.62 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 187,
 igr2= 204, 205,
 &end
#
#   39 VAL  HN           52 ALA  HA          4.50    (#   1690:25  Unique         3.16, 3.61 A)
 &rst
  ixpk= 1690, nxpk= 25, iat= 625, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ALA  HN           52 ALA  HA          4.50    (#   1691:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 1691, nxpk= 25, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1694    52 ALA  HA          4.50    (#   1694:25  Single Ambig)
 &rst
  ixpk= 1694, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1416,1417,1419,1420, 835, 594,
 &end
#
#   82 TYR  HE           25 PRO  HD+         5.50    (#   1697:25  Unique         2.62, 5.56 A)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 380, 381,
 &end
#
#   82 TYR  HE           25 PRO  HD-         5.50    (#   1698:25  Unique         2.62, 5.56 A)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 380, 381,
 &end
#
#   24 TYR  HD           25 PRO  HD-         5.50    (#   1699:25  Unique         5.80, 6.84 A)
 &rst
  ixpk= 1699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2= 380, 381,
 &end
#
#   24 TYR  HD           25 PRO  HD+         5.50    (#   1700:25  Unique         5.80, 6.84 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2= 380, 381,
 &end
#
#   24 TYR  HA           25 PRO  HD-         5.50    (#   1701:25  Unique         4.43, 4.61 A)
 &rst
  ixpk= 1701, nxpk= 25, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 380, 381,
 &end
#
#   24 TYR  HA           25 PRO  HD+         5.50    (#   1702:25  Unique         4.43, 4.61 A)
 &rst
  ixpk= 1702, nxpk= 25, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 380, 381,
 &end
#
#   25 PRO  HB+          25 PRO  HD-         4.50    (#   1703:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 386, 387,
 igr2= 380, 381,
 &end
#
#   25 PRO  HB+          25 PRO  HD+         4.50    (#   1704:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 386, 387,
 igr2= 380, 381,
 &end
#
#   65 TYR  HN           63 GLY  HA+         5.50    (#   1711:25  Unique         3.67, 4.39 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   65 TYR  HN           63 GLY  HA-         5.50    (#   1712:25  Unique         3.67, 4.39 A)
 &rst
  ixpk= 1712, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   64 ARG  HN           63 GLY  HA-         3.50    (#   1713:25  Unique         2.20, 2.98 A)
 &rst
  ixpk= 1713, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   63 GLY  HN           63 GLY  HA+         3.50    (#   1714:25  Unique         2.24, 2.55 A)
 &rst
  ixpk= 1714, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   62 ASN  HA           63 GLY  HA-         5.50    (#   1715:25  Unique         4.25, 4.41 A)
 &rst
  ixpk= 1715, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   62 ASN  HA           63 GLY  HA+         5.50    (#   1716:25  Unique         4.25, 4.41 A)
 &rst
  ixpk= 1716, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   36 ARG  HD-          63 GLY  HA+         5.50    (#   1717:25  Unique         2.10, 3.71 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 576, 577,
 igr2= 977, 978,
 &end
#
#   36 ARG  HD-          63 GLY  HA-         5.50    (#   1719:25  Unique         2.10, 3.71 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 576, 577,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1722    63 GLY  HA-         7.00    (#   1722:25  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 555, 556, 558, 559,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1723    63 GLY  HA-         7.00    (#   1723:25  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 555, 556, 558, 559,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1724     0 AMB  25-1:1724   7.00    (#   1724:25  Double Ambig)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 555, 556, 558, 559,
 igr2= 977, 978, 977, 978,
 &end
#
#   36 ARG  HB-          63 GLY  HA+         5.50    (#   1725:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 570, 571,
 igr2= 977, 978,
 &end
#
#   36 ARG  HB-          63 GLY  HA-         5.50    (#   1726:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 1726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 570, 571,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1727    63 GLY  HA-         5.50    (#   1727:25  Single Ambig)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 989, 990, 825, 826, 827,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1728     0 AMB  25-1:1728   5.50    (#   1728:25  Double Ambig)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 989, 990, 986, 987, 825, 826, 827,
 igr2= 977, 978, 977, 978, 977, 978,
 &end
#
#    0 AMB  25-2:1729     0 AMB  25-1:1729   7.00    (#   1729:25  Double Ambig)
 &rst
  ixpk= 1729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 977, 978, 977, 978,
 &end
#
#    0 AMB  25-2:1730    63 GLY  HA-         5.50    (#   1730:25  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 977, 978,
 &end
#
#   65 TYR  HD           69 GLY  HA-         5.50    (#   1731:25  Unique         3.86, 5.49 A)
 &rst
  ixpk= 1731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1065,1066,
 &end
#
#   65 TYR  HD           69 GLY  HA+         5.50    (#   1732:25  Unique         3.86, 5.49 A)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1065,1066,
 &end
#
#   70 LYS  HN           69 GLY  HA+         3.50    (#   1733:25  Unique         3.21, 3.36 A)
 &rst
  ixpk= 1733, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1065,1066,
 &end
#
#   66 THR  HN           69 GLY  HA+         5.50    (#   1734:25  Unique         3.55, 4.28 A)
 &rst
  ixpk= 1734, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#   66 THR  HN           69 GLY  HA-         5.50    (#   1735:25  Unique         3.55, 4.28 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#    0 AMB  25-2:1736     0 AMB  25-1:1736   5.50    (#   1736:25  Double Ambig)
 &rst
  ixpk= 1736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1072,1053,
 igr2=1065,1066,1065,1066,
 &end
#
#    0 AMB  25-2:1737    69 GLY  HA-         5.50    (#   1737:25  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1072,1053,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB+          69 GLY  HA-         4.50    (#   1738:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB-          69 GLY  HA-         4.50    (#   1739:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB-          69 GLY  HA+         4.50    (#   1740:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB+          69 GLY  HA+         4.50    (#   1741:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   31 LYS  HN           38 LEU  HB+         5.50    (#   1742:25  Unique         3.63, 4.42 A)
 &rst
  ixpk= 1742, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   38 LEU  HA           38 LEU  HB+         3.50    (#   1743:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1743, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#   38 LEU  HA           38 LEU  HB-         3.50    (#   1744:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1744, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#   50 GLY  HA+          38 LEU  HB-         4.50    (#   1745:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 1745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 799, 800,
 igr2= 610, 611,
 &end
#
#   37 VAL  HA           38 LEU  HB+         5.50    (#   1746:25  Unique         4.04, 4.95 A)
 &rst
  ixpk= 1746, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   55 ALA  MB           58 GLY  HA+         4.50    (#   1747:25  Unique         3.16, 4.95 A)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 870, 871, 872,
 igr2= 911, 912,
 &end
#
#    0 AMB  25-2:1749    89 GLY  QA          4.50    (#   1749:25  Single Ambig)
 &rst
  ixpk= 1749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1395,1396,1392,1393,
 igr2=1383,1384,
 &end
#
#   17 GLU  HB+          89 GLY  QA          5.50    (#   1751:25  Unique         2.30, 4.92 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 255, 256,
 igr2=1383,1384,
 &end
#
#   17 GLU  QG           89 GLY  QA          5.50    (#   1752:25  Unique         2.18, 3.92 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 258, 259,
 igr2=1383,1384,
 &end
#
#   57 ASN  HN           58 GLY  HA+         5.50    (#   1754:25  Unique         5.17, 5.41 A)
 &rst
  ixpk= 1754, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 911, 912,
 &end
#
#   51 HIS  HN           50 GLY  HA-         4.50    (#   1755:25  Unique         3.15, 3.36 A)
 &rst
  ixpk= 1755, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-2:1756     0 AMB  25-1:1756   5.50    (#   1756:25  Double Ambig)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 876, 804,
 igr2= 911, 912,1383,1384,
 &end
#
#   78 ASN  HN           77 GLY  HA+         4.50    (#   1757:25  Unique         2.87, 3.27 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:1758     0 AMB  25-1:1758   5.50    (#   1758:25  Double Ambig)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 368, 373,1266,1271,
 igr2=1199,1200,1199,1200,
 &end
#
#   55 ALA  MB           58 GLY  HA-         4.50    (#   1759:25  Unique         3.16, 4.95 A)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 870, 871, 872,
 igr2= 911, 912,
 &end
#
#    0 AMB  25-2:1760    77 GLY  HA-         5.50    (#   1760:25  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 368, 373,1266,1271,
 igr2=1199,1200,
 &end
#
#    3 HIS  HN            2 GLY  HA-         5.50    (#   1761:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  23,  24,
 &end
#
#   38 LEU  HB+          50 GLY  HA-         5.50    (#   1764:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 1764, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611,
 igr2= 799, 800,
 &end
#
#   39 VAL  HB           50 GLY  HA-         5.50    (#   1765:25  Unique         4.12, 4.74 A)
 &rst
  ixpk= 1765, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 799, 800,
 &end
#
#   64 ARG  HN           64 ARG  QD          5.50    (#   1771:25  Unique         2.23, 4.27 A)
 &rst
  ixpk= 1771, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 992, 993,
 &end
#
#   88 PHE  HA           88 PHE  HB-         5.50    (#   1774:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   88 PHE  HA           88 PHE  HB+         4.50    (#   1775:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1775, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1365,1366,
 &end
#
#   64 ARG  HA           64 ARG  QD          4.50    (#   1776:25  Unique         4.08, 4.72 A)
 &rst
  ixpk= 1776, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 992, 993,
 &end
#
#   35 GLU  HA           64 ARG  QD          4.50    (#   1777:25  Unique         2.35, 3.80 A)
 &rst
  ixpk= 1777, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 992, 993,
 &end
#
#   31 LYS  HN           30 LEU  HB-         4.50    (#   1780:25  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1780, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 LEU  HN           30 LEU  HB-         4.50    (#   1781:25  Unique         2.55, 3.20 A)
 &rst
  ixpk= 1781, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 LEU  HA           30 LEU  HB-         4.50    (#   1782:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1782, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 LEU  HA           30 LEU  HB+         4.50    (#   1783:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   31 LYS  HN           30 LEU  HB+         4.50    (#   1784:25  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1784, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   41 PHE  HN           29 LEU  HB+         4.50    (#   1785:25  Unique         2.17, 3.36 A)
 &rst
  ixpk= 1785, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 447, 448,
 &end
#
#   41 PHE  HD           29 LEU  HB-         5.50    (#   1787:25  Unique         2.34, 5.23 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 659, 667,
 igr2= 447, 448,
 &end
#
#   41 PHE  HD           29 LEU  HB+         5.50    (#   1788:25  Unique         2.34, 5.23 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 659, 667,
 igr2= 447, 448,
 &end
#
#   33 HIS  HN           32 LEU  HB-         4.50    (#   1789:25  Unique         4.03, 4.35 A)
 &rst
  ixpk= 1789, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 507, 508,
 &end
#
#   23 SER  HN           22 PHE  HB-         5.50    (#   1790:25  Unique         2.26, 3.04 A)
 &rst
  ixpk= 1790, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   22 PHE  HN           22 PHE  HB-         4.50    (#   1791:25  Unique         2.51, 3.28 A)
 &rst
  ixpk= 1791, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 331, 332,
 &end
#
#   22 PHE  HN           22 PHE  HB+         5.50    (#   1792:25  Unique         2.51, 3.28 A)
 &rst
  ixpk= 1792, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   23 SER  HN           22 PHE  HB+         5.50    (#   1793:25  Unique         2.26, 3.04 A)
 &rst
  ixpk= 1793, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   22 PHE  HD           22 PHE  HB+         5.50    (#   1794:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#   22 PHE  HE           22 PHE  HB+         5.50    (#   1795:25  Unique         4.61, 5.09 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 337, 341,
 igr2= 331, 332,
 &end
#
#   33 HIS  HN           32 LEU  HB+         4.50    (#   1799:25  Unique         4.03, 4.35 A)
 &rst
  ixpk= 1799, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 507, 508,
 &end
#
#   41 PHE  HB+          29 LEU  HB+         5.50    (#   1800:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   38 LEU  HN           32 LEU  HB+         7.00    (#   1801:25  Unique         5.07, 5.96 A)
 &rst
  ixpk= 1801, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 507, 508,
 &end
#
#    0 AMB  25-2:1802     0 AMB  25-1:1802   5.50    (#   1802:25  Double Ambig)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 961,1107,
 igr2=1010,1011,1010,1011,
 &end
#
#   64 ARG  HN           65 TYR  HB+         7.00    (#   1803:25  Unique         3.89, 4.89 A)
 &rst
  ixpk= 1803, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1010,1011,
 &end
#
#    0 AMB  25-2:1804    65 TYR  HB-         5.50    (#   1804:25  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 961,1107,
 igr2=1010,1011,
 &end
#
#   41 PHE  HD           41 PHE  HB+         3.50    (#   1806:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 659, 667,
 igr2= 655, 656,
 &end
#
#   77 GLY  HN           76 LEU  HB-         5.50    (#   1812:25  Unique         2.70, 3.29 A)
 &rst
  ixpk= 1812, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1182,1183,
 &end
#
#   77 GLY  HN           76 LEU  HB+         5.50    (#   1813:25  Unique         2.70, 3.29 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1182,1183,
 &end
#
#   75 TYR  HD           76 LEU  HB+         5.50    (#   1815:25  Unique         4.56, 6.70 A)
 &rst
  ixpk= 1815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2=1182,1183,
 &end
#
#   24 TYR  HE           76 LEU  HB-         5.50    (#   1816:25  Unique         2.37, 4.77 A)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 368, 373,
 igr2=1182,1183,
 &end
#
#   76 LEU  HA           76 LEU  HB+         4.50    (#   1817:25  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1817, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1182,1183,
 &end
#
#   86 ILE  MG2          86 ILE  HB          4.50    (#   1819:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   57 ASN  HN           56 ILE  HB          5.50    (#   1820:25  Unique         3.97, 4.09 A)
 &rst
  ixpk= 1820, nxpk= 25, iat= 895, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1821    56 ILE  HB          5.50    (#   1821:25  Single Ambig)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 916,1251,1252,
 &end
#
#   22 PHE  HE           86 ILE  HB          5.50    (#   1823:25  Unique         2.32, 4.36 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 337, 341,
 &end
#
#   88 PHE  HD           86 ILE  HB          5.50    (#   1824:25  Unique         2.71, 5.27 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#   74 GLU  HN           73 LEU  HB+         5.50    (#   1825:25  Unique         2.56, 3.26 A)
 &rst
  ixpk= 1825, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1127,1128,
 &end
#
#   74 GLU  HN           73 LEU  HB-         5.50    (#   1826:25  Unique         2.56, 3.26 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1127,1128,
 &end
#
#   55 ALA  MB           60 ASP  HB+         5.50    (#   1828:25  Unique         3.45, 5.09 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 870, 871, 872,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-2:1829     0 AMB  25-1:1829   4.50    (#   1829:25  Double Ambig)
 &rst
  ixpk= 1829, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 937, 938, 937, 938,
 &end
#
#    0 AMB  25-2:1835    62 ASN  HB-         5.50    (#   1835:25  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 965, 966,
 &end
#
#    0 AMB  25-2:1836     0 AMB  25-1:1836   5.50    (#   1836:25  Double Ambig)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957, 510,
 igr2= 965, 966, 965, 966, 543, 544,
 &end
#
#    0 AMB  25-2:1837     0 AMB  25-1:1837   4.50    (#   1837:25  Double Ambig)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 igr2=1161,1162,1161,1162,
 &end
#
#   75 TYR  HA           78 ASN  HB+         4.50    (#   1840:25  Unique         3.17, 3.71 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1208,1209,
 &end
#
#    0 AMB  25-2:1841    24 TYR  QB          4.50    (#   1841:25  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1266,1271, 368, 373,
 igr2= 362, 363,
 &end
#
#   82 TYR  HD           24 TYR  QB          5.50    (#   1842:25  Unique         3.27, 4.31 A)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2= 362, 363,
 &end
#
#   34 ASP  HN           34 ASP  HB-         4.50    (#   1845:25  Unique         2.85, 3.21 A)
 &rst
  ixpk= 1845, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 543, 544,
 &end
#
#    0 AMB  25-2:1846    62 ASN  HB-         5.50    (#   1846:25  Single Ambig)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 947,1065,1066,
 igr2= 965, 966,
 &end
#
#   24 TYR  HA           24 TYR  QB          4.50    (#   1847:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 1847, nxpk= 25, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 362, 363,
 &end
#
#   36 ARG  HB-          34 ASP  HB-         5.50    (#   1850:25  Unique         3.09, 5.62 A)
 &rst
  ixpk= 1850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 570, 571,
 igr2= 543, 544,
 &end
#
#    0 AMB  25-2:1852    75 TYR  HB-         5.50    (#   1852:25  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1251,1252,1167,1172,
 igr2=1161,1162,
 &end
#
#   13 ALA  MB           12 TYR  HB+         5.50    (#   1853:25  Unique         4.30, 6.22 A)
 &rst
  ixpk= 1853, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 197, 198, 199,
 igr2= 176, 177,
 &end
#
#   13 ALA  MB           12 TYR  HB-         5.50    (#   1854:25  Unique         4.30, 6.22 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 197, 198, 199,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:1856    75 TYR  HB-         4.50    (#   1856:25  Single Ambig)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1080,1081,1182,1183,
 igr2=1161,1162,
 &end
#
#   82 TYR  HD           81 ASN  HB+         5.50    (#   1857:25  Unique         4.61, 7.31 A)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2=1246,1247,
 &end
#
#   82 TYR  HD           81 ASN  HB-         7.00    (#   1858:25  Unique         4.61, 7.31 A)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1264,1273,
 igr2=1246,1247,
 &end
#
#   78 ASN  HB+          81 ASN  HB-         7.00    (#   1861:25  Unique         2.35, 4.62 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1208,1209,
 igr2=1246,1247,
 &end
#
#   65 TYR  HD           71 GLU  HG-         4.50    (#   1862:25  Unique         2.62, 5.61 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1014,1023,
 igr2=1099,1100,
 &end
#
#   65 TYR  HD           71 GLU  HG+         4.50    (#   1863:25  Unique         2.62, 5.61 A)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1014,1023,
 igr2=1099,1100,
 &end
#
#   64 ARG  HE           71 GLU  HG-         5.50    (#   1864:25  Unique         2.80, 5.18 A)
 &rst
  ixpk= 1864, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   72 VAL  HN           71 GLU  HG-         4.50    (#   1865:25  Unique         2.74, 3.34 A)
 &rst
  ixpk= 1865, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   72 VAL  HN           71 GLU  HG+         5.50    (#   1866:25  Unique         2.74, 3.34 A)
 &rst
  ixpk= 1866, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   73 LEU  HN           71 GLU  HG+         5.50    (#   1867:25  Unique         2.11, 3.38 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   65 TYR  HA           71 GLU  HG-         5.50    (#   1870:25  Unique         3.86, 4.72 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  25-2:1872    71 GLU  HG-         5.50    (#   1872:25  Single Ambig)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
       517, 518,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 igr2=1099,1100,
 &end
#
#    0 AMB  25-2:1873     0 AMB  25-1:1873   5.50    (#   1873:25  Double Ambig)
 &rst
  ixpk= 1873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.21, r4=13.71,
 igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
       517, 518,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 igr2=1099,1100,1099,1100,1099,1100,1099,1100,
 &end
#
#   64 ARG  HG+          71 GLU  HG-         5.50    (#   1875:25  Unique         2.57, 5.26 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1099,1100,
 &end
#
#   64 ARG  QD           71 GLU  HG-         5.50    (#   1876:25  Unique         2.48, 5.85 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2=1099,1100,
 &end
#
#   64 ARG  QD           71 GLU  HG+         5.50    (#   1877:25  Unique         2.48, 5.85 A)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2=1099,1100,
 &end
#
#    0 AMB  25-2:1878     0 AMB  25-1:1878   5.50    (#   1878:25  Double Ambig)
 &rst
  ixpk= 1878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 984,1144,
 igr2=1099,1100,1099,1100,
 &end
#
#   38 LEU  HN           31 LYS  QB          5.50    (#   1880:25  Unique         5.19, 5.45 A)
 &rst
  ixpk= 1880, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   22 PHE  HE           20 LYS  HB-         7.00    (#   1882:25  Unique         2.32, 4.56 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 337, 341,
 igr2= 295, 296,
 &end
#
#   32 LEU  HA           31 LYS  QB          5.50    (#   1883:25  Unique         4.76, 5.47 A)
 &rst
  ixpk= 1883, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   30 LEU  HA           31 LYS  QB          4.50    (#   1884:25  Unique         4.25, 5.15 A)
 &rst
  ixpk= 1884, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   57 ASN  HD2+         57 ASN  HB+         4.50    (#   1885:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   57 ASN  HD2+         57 ASN  HB-         4.50    (#   1886:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   58 GLY  HN           57 ASN  HB+         5.50    (#   1887:25  Unique         4.21, 4.49 A)
 &rst
  ixpk= 1887, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   58 GLY  HN           57 ASN  HB-         5.50    (#   1888:25  Unique         4.21, 4.49 A)
 &rst
  ixpk= 1888, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   57 ASN  HN           57 ASN  HB+         5.50    (#   1889:25  Unique         2.75, 3.57 A)
 &rst
  ixpk= 1889, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   57 ASN  HN           57 ASN  HB-         5.50    (#   1890:25  Unique         2.75, 3.57 A)
 &rst
  ixpk= 1890, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   56 ILE  MG2          57 ASN  HB-         4.50    (#   1891:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 882, 883, 884,
 igr2= 899, 900,
 &end
#
#   56 ILE  MG2          57 ASN  HB+         5.50    (#   1892:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 882, 883, 884,
 igr2= 899, 900,
 &end
#
#    0 AMB  25-2:1893    17 GLU  QG          5.50    (#   1893:25  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1388,1381,
 igr2= 258, 259,
 &end
#
#   74 GLU  HN           74 GLU  HG+         4.50    (#   1906:25  Unique         2.41, 4.05 A)
 &rst
  ixpk= 1906, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#   74 GLU  HN           74 GLU  HG-         4.50    (#   1907:25  Unique         2.41, 4.05 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#   77 GLY  HN           74 GLU  HG+         7.00    (#   1908:25  Unique         5.26, 5.70 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1149,1150,
 &end
#
#   77 GLY  HN           74 GLU  HG-         5.50    (#   1909:25  Unique         5.26, 5.70 A)
 &rst
  ixpk= 1909, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   75 TYR  HN           74 GLU  HG+         5.50    (#   1910:25  Unique         3.85, 4.45 A)
 &rst
  ixpk= 1910, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   75 TYR  HN           74 GLU  HG-         4.50    (#   1911:25  Unique         3.85, 4.45 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#   34 ASP  HA           35 GLU  HG-         5.50    (#   1912:25  Unique         3.37, 4.43 A)
 &rst
  ixpk= 1912, nxpk= 25, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 558, 559,
 &end
#
#    0 AMB  25-2:1914    84 VAL  HB          5.50    (#   1914:25  Single Ambig)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1167,1172,1251,1252, 368, 373,
 &end
#
#   82 TYR  HE           25 PRO  HB-         5.50    (#   1926:25  Unique         4.64, 6.95 A)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 386, 387,
 &end
#
#   82 TYR  HE           25 PRO  HB+         5.50    (#   1927:25  Unique         4.64, 6.95 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 386, 387,
 &end
#
#   25 PRO  HD+          25 PRO  HB+         5.50    (#   1928:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 380, 381,
 igr2= 386, 387,
 &end
#
#   25 PRO  HD+          25 PRO  HB-         4.50    (#   1929:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 380, 381,
 igr2= 386, 387,
 &end
#
#   60 ASP  HN           59 MET  HB+         5.50    (#   1932:25  Unique         3.28, 4.02 A)
 &rst
  ixpk= 1932, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 920, 921,
 &end
#
#   59 MET  HN           59 MET  HB-         4.50    (#   1933:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 1933, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 920, 921,
 &end
#
#   37 VAL  HN           36 ARG  HB-         5.50    (#   1936:25  Unique         2.11, 3.32 A)
 &rst
  ixpk= 1936, nxpk= 25, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   43 GLN  HE2-         43 GLN  QG          4.50    (#   1939:25  Unique         2.23, 3.33 A)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 690, 691,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:1942    43 GLN  QG          5.50    (#   1942:25  Single Ambig)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 783, 673, 674,
 igr2= 685, 686,
 &end
#
#   88 PHE  HD           51 HIS  HB-         5.50    (#   1945:25  Unique         2.38, 4.78 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1369,1377,
 igr2= 808, 809,
 &end
#
#   51 HIS  HN           51 HIS  HB+         4.50    (#   1946:25  Unique         2.23, 2.96 A)
 &rst
  ixpk= 1946, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#   51 HIS  HN           51 HIS  HB-         4.50    (#   1947:25  Unique         2.23, 2.96 A)
 &rst
  ixpk= 1947, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#   88 PHE  HD           51 HIS  HB+         5.50    (#   1949:25  Unique         2.38, 4.78 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1369,1377,
 igr2= 808, 809,
 &end
#
#   51 HIS  HD2          51 HIS  HB-         5.50    (#   1950:25  Unique         2.52, 3.24 A)
 &rst
  ixpk= 1950, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#   51 HIS  HA           51 HIS  HB+         5.50    (#   1951:25  Unique         2.48, 2.80 A)
 &rst
  ixpk= 1951, nxpk= 25, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#   39 VAL  MGX          51 HIS  HB-         5.50    (#   1953:25  Unique         2.32, 4.93 A)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 631, 632, 633, 635, 636, 637,
 igr2= 808, 809,
 &end
#
#    0 AMB  25-2:1956    51 HIS  HB-         5.50    (#   1956:25  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 825, 826, 827, 610, 611,
 igr2= 808, 809,
 &end
#
#    0 AMB  25-2:1958    51 HIS  HB-         5.50    (#   1958:25  Single Ambig)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 258, 259, 629,
 igr2= 808, 809,
 &end
#
#   52 ALA  HA           53 VAL  HB          5.50    (#   1960:25  Unique         4.70, 4.83 A)
 &rst
  ixpk= 1960, nxpk= 25, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1966    33 HIS  HB-         5.50    (#   1966:25  Single Ambig)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 488, 489, 488, 489, 610, 611,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:1967     0 AMB  25-1:1967   5.50    (#   1967:25  Double Ambig)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 488, 489, 610, 611,
 igr2= 526, 527, 526, 527,
 &end
#
#   32 LEU  HA           33 HIS  HB-         5.50    (#   1968:25  Unique         4.46, 4.73 A)
 &rst
  ixpk= 1968, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   32 LEU  HA           33 HIS  HB+         5.50    (#   1969:25  Unique         4.46, 4.73 A)
 &rst
  ixpk= 1969, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   33 HIS  HN           33 HIS  HB-         4.50    (#   1970:25  Unique         2.74, 3.18 A)
 &rst
  ixpk= 1970, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 526, 527,
 &end
#
#   34 ASP  HN           33 HIS  HB-         5.50    (#   1971:25  Unique         3.04, 4.04 A)
 &rst
  ixpk= 1971, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   33 HIS  HN           33 HIS  HB+         4.50    (#   1974:25  Unique         2.74, 3.18 A)
 &rst
  ixpk= 1974, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:1975    64 ARG  HB-         4.50    (#   1975:25  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 995,1006,
 igr2= 986, 987,
 &end
#
#   65 TYR  HE           64 ARG  HB-         7.00    (#   1976:25  Unique         2.45, 5.68 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1016,1021,
 igr2= 986, 987,
 &end
#
#   64 ARG  HN           64 ARG  HB-         4.50    (#   1977:25  Unique         2.24, 3.44 A)
 &rst
  ixpk= 1977, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 986, 987,
 &end
#
#   60 ASP  HN           59 MET  HG+         5.50    (#   1978:25  Unique         4.42, 5.06 A)
 &rst
  ixpk= 1978, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 924,
 &end
#
#   60 ASP  HN           59 MET  HG-         5.50    (#   1979:25  Unique         4.42, 5.06 A)
 &rst
  ixpk= 1979, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 924,
 &end
#
#   51 HIS  HN           39 VAL  HB          4.50    (#   1983:25  Unique         2.10, 2.64 A)
 &rst
  ixpk= 1983, nxpk= 25, iat= 804, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1984    59 MET  HG-         5.50    (#   1984:25  Single Ambig)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 911, 912,1043,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1985     0 AMB  25-1:1985   5.50    (#   1985:25  Double Ambig)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 911, 912,1043,
 igr2= 923, 924, 923, 924,
 &end
#
#    0 AMB  25-2:1986    59 MET  HG-         5.50    (#   1986:25  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 899, 900,1055,1056,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1987     0 AMB  25-1:1987   5.50    (#   1987:25  Double Ambig)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 899, 900,1055,1056,
 igr2= 923, 924, 923, 924,
 &end
#
#   63 GLY  HA-          64 ARG  HB+         7.00    (#   1988:25  Unique         4.17, 5.36 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 977, 978,
 igr2= 986, 987,
 &end
#
#   80 ALA  HA           79 PRO  HB+         5.50    (#   1989:25  Unique         4.46, 5.26 A)
 &rst
  ixpk= 1989, nxpk= 25, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1225,1226,
 &end
#
#   79 PRO  HD+          79 PRO  HB-         4.50    (#   1990:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1219,1220,
 igr2=1225,1226,
 &end
#
#   78 ASN  HA           79 PRO  HB-         5.50    (#   1991:25  Unique         4.91, 5.35 A)
 &rst
  ixpk= 1991, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1225,1226,
 &end
#
#   78 ASN  HA           79 PRO  HB+         7.00    (#   1992:25  Unique         4.91, 5.35 A)
 &rst
  ixpk= 1992, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1225,1226,
 &end
#
#   24 TYR  HD           79 PRO  HB+         5.50    (#   1993:25  Unique         4.82, 7.93 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2=1225,1226,
 &end
#
#   82 TYR  HE           79 PRO  HB+         5.50    (#   1994:25  Unique         3.10, 4.34 A)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2=1225,1226,
 &end
#
#   24 TYR  HD           79 PRO  HB-         5.50    (#   1995:25  Unique         4.82, 7.93 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2=1225,1226,
 &end
#
#   82 TYR  HE           79 PRO  HB-         4.50    (#   1996:25  Unique         3.10, 4.34 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1266,1271,
 igr2=1225,1226,
 &end
#
#   82 TYR  HD           79 PRO  HB+         5.50    (#   1997:25  Unique         3.41, 4.49 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2=1225,1226,
 &end
#
#   82 TYR  HD           79 PRO  HB-         5.50    (#   1998:25  Unique         3.41, 4.49 A)
 &rst
  ixpk= 1998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2=1225,1226,
 &end
#
#   80 ALA  HN           79 PRO  HB-         5.50    (#   1999:25  Unique         3.75, 4.22 A)
 &rst
  ixpk= 1999, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1225,1226,
 &end
#
#   77 GLY  HN           74 GLU  HB-         5.50    (#   2006:25  Unique         5.14, 5.46 A)
 &rst
  ixpk= 2006, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1146,1147,
 &end
#
#   65 TYR  HE           71 GLU  HB+         5.50    (#   2010:25  Unique         2.44, 5.79 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2=1096,1097,
 &end
#
#   65 TYR  HE           71 GLU  HB-         5.50    (#   2011:25  Unique         2.44, 5.79 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2=1096,1097,
 &end
#
#   65 TYR  HD           71 GLU  HB-         5.50    (#   2012:25  Unique         2.74, 5.78 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1096,1097,
 &end
#
#   65 TYR  HD           71 GLU  HB+         5.50    (#   2013:25  Unique         2.74, 5.78 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1096,1097,
 &end
#
#   72 VAL  HN           71 GLU  HB+         5.50    (#   2014:25  Unique         3.35, 4.22 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   73 LEU  HN           71 GLU  HB+         5.50    (#   2016:25  Unique         3.20, 4.57 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   73 LEU  HN           71 GLU  HB-         5.50    (#   2017:25  Unique         3.20, 4.57 A)
 &rst
  ixpk= 2017, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   74 GLU  HN           71 GLU  HB-         5.50    (#   2018:25  Unique         2.87, 3.80 A)
 &rst
  ixpk= 2018, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#    0 AMB  25-2:2019     0 AMB  25-1:2019   5.50    (#   2019:25  Double Ambig)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 igr2=1096,1097,1096,1097,1096,1097,
 &end
#
#    0 AMB  25-2:2020    71 GLU  HB-         4.50    (#   2020:25  Single Ambig)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 igr2=1096,1097,
 &end
#
#   75 TYR  HE           70 LYS  QD          4.50    (#   2021:25  Unique         4.67, 7.06 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1167,1172,
 igr2=1080,1081,
 &end
#
#    0 AMB  25-2:2024    70 LYS  QD          5.50    (#   2024:25  Single Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1063,1051,
 igr2=1080,1081,
 &end
#
#   32 LEU  HN           31 LYS  QD          4.50    (#   2026:25  Unique         3.27, 4.29 A)
 &rst
  ixpk= 2026, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 491, 492,
 &end
#
#   71 GLU  HN           70 LYS  QD          4.50    (#   2027:25  Unique         4.12, 4.73 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1080,1081,
 &end
#
#   37 VAL  HA           31 LYS  QD          4.50    (#   2028:25  Unique         4.20, 5.31 A)
 &rst
  ixpk= 2028, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 491, 492,
 &end
#
#   86 ILE  HA           56 ILE  HG1-        4.50    (#   2030:25  Unique         3.13, 3.83 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 886, 887,
 &end
#
#   86 ILE  MG2          56 ILE  HG1+        5.50    (#   2031:25  Unique         2.21, 3.81 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1324,1325,1326,
 igr2= 886, 887,
 &end
#
#   56 ILE  HA           56 ILE  HG1+        4.50    (#   2033:25  Unique         2.53, 2.87 A)
 &rst
  ixpk= 2033, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 886, 887,
 &end
#
#   86 ILE  HA           56 ILE  HG1+        5.50    (#   2034:25  Unique         3.13, 3.83 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   56 ILE  HN           56 ILE  HG1+        5.50    (#   2038:25  Unique         2.99, 3.70 A)
 &rst
  ixpk= 2038, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   56 ILE  HN           56 ILE  HG1-        5.50    (#   2039:25  Unique         2.99, 3.70 A)
 &rst
  ixpk= 2039, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   86 ILE  HN           86 ILE  HG1-        5.50    (#   2045:25  Unique         2.67, 3.49 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1328,1329,
 &end
#
#   57 ASN  HN           56 ILE  HG1-        5.50    (#   2047:25  Unique         4.32, 4.78 A)
 &rst
  ixpk= 2047, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   57 ASN  HN           56 ILE  HG1+        5.50    (#   2048:25  Unique         4.32, 4.78 A)
 &rst
  ixpk= 2048, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   38 LEU  HA           38 LEU  HG          5.50    (#   2054:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 2054, nxpk= 25, iat= 608, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LYS  HN           30 LEU  HG          5.50    (#   2056:25  Unique         2.80, 4.59 A)
 &rst
  ixpk= 2056, nxpk= 25, iat= 481, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HA           79 PRO  HG-         5.50    (#   2065:25  Unique         4.42, 4.55 A)
 &rst
  ixpk= 2065, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1222,1223,
 &end
#
#   36 ARG  HN           32 LEU  MDY         5.50    (#   2069:25  Unique         2.45, 5.03 A)
 &rst
  ixpk= 2069, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   71 GLU  HN           70 LYS  QG          5.50    (#   2075:25  Unique         3.85, 5.31 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1077,1078,
 &end
#
#   65 TYR  HD           64 ARG  HG+         4.50    (#   2076:25  Unique         2.62, 4.66 A)
 &rst
  ixpk= 2076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1014,1023,
 igr2= 989, 990,
 &end
#
#   65 TYR  HE           64 ARG  HG+         5.50    (#   2077:25  Unique         2.71, 4.34 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2= 989, 990,
 &end
#
#   75 TYR  HD           70 LYS  QG          5.50    (#   2078:25  Unique         2.17, 4.91 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2=1077,1078,
 &end
#
#   31 LYS  HN           31 LYS  HG+         5.50    (#   2083:25  Unique         2.36, 3.65 A)
 &rst
  ixpk= 2083, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   32 LEU  HN           31 LYS  HG+         5.50    (#   2084:25  Unique         3.16, 4.41 A)
 &rst
  ixpk= 2084, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   38 LEU  HN           31 LYS  HG-         5.50    (#   2090:25  Unique         3.52, 4.77 A)
 &rst
  ixpk= 2090, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   30 LEU  HA           31 LYS  HG-         5.50    (#   2093:25  Unique         3.75, 5.19 A)
 &rst
  ixpk= 2093, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   30 LEU  HA           31 LYS  HG+         5.50    (#   2094:25  Unique         3.75, 5.19 A)
 &rst
  ixpk= 2094, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   32 LEU  HA           31 LYS  HG-         5.50    (#   2095:25  Unique         4.12, 5.60 A)
 &rst
  ixpk= 2095, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:2096    52 ALA  MB          5.50    (#   2096:25  Single Ambig)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 808, 809,1365,1366,
 igr2= 825, 826, 827,
 &end
#
#   88 PHE  HB-          52 ALA  MB          5.50    (#   2097:25  Unique         5.23, 6.71 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1365,1366,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:2098    52 ALA  MB          5.50    (#   2098:25  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 833, 808, 809,
 igr2= 825, 826, 827,
 &end
#
#   52 ALA  HN           39 VAL  MGY         5.50    (#   2100:25  Unique         4.11, 7.05 A)
 &rst
  ixpk= 2100, nxpk= 25, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   57 ASN  HN            0 AMB  25-1:2101   7.00    (#   2101:25  Single Ambig)
 &rst
  ixpk= 2101, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 870, 871, 872, 319, 320, 321,
 &end
#
#   51 HIS  HD2          52 ALA  MB          5.50    (#   2105:25  Unique         5.53, 6.71 A)
 &rst
  ixpk= 2105, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 825, 826, 827,
 &end
#
#   88 PHE  HD           52 ALA  MB          7.00    (#   2106:25  Unique         5.13, 7.97 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1369,1377,
 igr2= 825, 826, 827,
 &end
#
#   88 PHE  HA           53 VAL  MGY         5.50    (#   2114:25  Unique         4.01, 5.30 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   52 ALA  HA           53 VAL  MGY         5.50    (#   2115:25  Unique         3.63, 5.75 A)
 &rst
  ixpk= 2115, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   22 PHE  HN           84 VAL  MGY         5.50    (#   2117:25  Unique         2.96, 5.53 A)
 &rst
  ixpk= 2117, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   38 LEU  HN           40 ALA  MB          5.50    (#   2119:25  Unique         5.09, 6.54 A)
 &rst
  ixpk= 2119, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 645, 646, 647,
 &end
#
#   41 PHE  HD           49 VAL  MGY         5.50    (#   2120:25  Unique         3.22, 6.59 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 659, 667,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   90 ARG  HN           16 ALA  MB          5.50    (#   2127:25  Unique         3.07, 5.25 A)
 &rst
  ixpk= 2127, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 245, 246, 247,
 &end
#
#   56 ILE  HG1+         86 ILE  MG2         4.50    (#   2129:25  Unique         2.21, 3.81 A)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 886, 887,
 igr2=1324,1325,1326,
 &end
#
#   53 VAL  HB           86 ILE  MG2         4.50    (#   2130:25  Unique         2.69, 5.09 A)
 &rst
  ixpk= 2130, nxpk= 25, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1324,1325,1326,
 &end
#
#   53 VAL  HA           86 ILE  MG2         5.50    (#   2131:25  Unique         3.57, 4.30 A)
 &rst
  ixpk= 2131, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1324,1325,1326,
 &end
#
#   56 ILE  HA           86 ILE  MG2         4.50    (#   2132:25  Unique         3.21, 4.43 A)
 &rst
  ixpk= 2132, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1324,1325,1326,
 &end
#
#   22 PHE  HE           86 ILE  MG2         5.50    (#   2134:25  Unique         4.04, 6.39 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 337, 341,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:2135    86 ILE  MG2         5.50    (#   2135:25  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 866, 335, 343,
 igr2=1324,1325,1326,
 &end
#
#   54 LEU  HN           86 ILE  MG2         5.50    (#   2136:25  Unique         3.79, 4.64 A)
 &rst
  ixpk= 2136, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1324,1325,1326,
 &end
#
#   86 ILE  HN           86 ILE  MG2         4.50    (#   2137:25  Unique         4.44, 4.81 A)
 &rst
  ixpk= 2137, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:2138    67 ALA  MB          7.00    (#   2138:25  Single Ambig)
 &rst
  ixpk= 2138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1055,1056, 965, 966,
 igr2=1045,1046,1047,
 &end
#
#   61 VAL  HN           67 ALA  MB          5.50    (#   2140:25  Unique         5.63, 6.83 A)
 &rst
  ixpk= 2140, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1045,1046,1047,
 &end
#
#   78 ASN  HA           80 ALA  MB          5.50    (#   2141:25  Unique         5.36, 6.10 A)
 &rst
  ixpk= 2141, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1236,1237,1238,
 &end
#
#   81 ASN  HD2-         80 ALA  MB          5.50    (#   2142:25  Unique         3.77, 7.02 A)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1251,1252,
 igr2=1236,1237,1238,
 &end
#
#   75 TYR  HA           56 ILE  MG2         7.00    (#   2145:25  Unique         6.68, 7.94 A)
 &rst
  ixpk= 2145, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 882, 883, 884,
 &end
#
#    0 AMB  25-2:2146    56 ILE  MG2         5.50    (#   2146:25  Single Ambig)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1311,1312,1311,1312,
 igr2= 882, 883, 884,
 &end
#
#   58 GLY  HN           56 ILE  MG2         5.50    (#   2153:25  Unique         4.92, 5.65 A)
 &rst
  ixpk= 2153, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 882, 883, 884,
 &end
#
#   53 VAL  HA            0 AMB  25-1:2156   5.50    (#   2156:25  Single Ambig)
 &rst
  ixpk= 2156, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#    0 AMB  25-2:2157    56 ILE  MD1         5.50    (#   2157:25  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1125,1159,
 igr2= 889, 890, 891,
 &end
#
#   61 VAL  HA           56 ILE  MD1         5.50    (#   2158:25  Unique         5.41, 6.65 A)
 &rst
  ixpk= 2158, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 889, 890, 891,
 &end
#
#   76 LEU  HN           56 ILE  MD1         4.50    (#   2159:25  Unique         4.58, 5.41 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 889, 890, 891,
 &end
#
#    0 AMB  25-2:2160     0 AMB  25-1:2160   5.50    (#   2160:25  Double Ambig)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1107, 847, 961,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   86 ILE  HN           86 ILE  MD1         4.50    (#   2161:25  Unique         3.81, 5.17 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1331,1332,1333,
 &end
#
#   57 ASN  HN           86 ILE  MD1         5.50    (#   2162:25  Unique         3.40, 6.38 A)
 &rst
  ixpk= 2162, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1331,1332,1333,
 &end
#
#   12 TYR  HE           11 SER  QB          5.50    (#   2168:25  Unique         3.54, 6.49 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 187,
 igr2= 165, 166,
 &end
#
#   11 SER  QB           12 TYR  HB+         5.50    (#   2171:25  Unique         3.62, 5.68 A)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 165, 166,
 igr2= 176, 177,
 &end
#
#   11 SER  QB           12 TYR  HB-         5.50    (#   2172:25  Unique         3.62, 5.68 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 165, 166,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:2177     0 AMB  25-1:2177   3.50    (#   2177:25  Double Ambig)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 856, 857, 858, 860, 861, 862, 510, 512, 513, 514,
       516, 517, 518,
 igr2= 253, 524,
 &end
#
#   86 ILE  HN           21 THR  HA          5.50    (#   2179:25  Unique         3.14, 3.45 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=1318, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2181     0 AMB  25-1:2181   5.50    (#   2181:25  Double Ambig)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 igr2= 331, 332, 331, 332,
 &end
#
#   30 LEU  HA           30 LEU  HG          4.50    (#   2183:25  Unique         2.51, 3.17 A)
 &rst
  ixpk= 2183, nxpk= 25, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LEU  HN           31 LYS  QD          5.50    (#   2185:25  Unique         2.87, 4.04 A)
 &rst
  ixpk= 2185, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 491, 492,
 &end
#
#   37 VAL  HA           32 LEU  HB-         5.50    (#   2186:25  Unique         3.61, 4.72 A)
 &rst
  ixpk= 2186, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 507, 508,
 &end
#
#   34 ASP  HN           33 HIS  HB+         5.50    (#   2189:25  Unique         3.04, 4.04 A)
 &rst
  ixpk= 2189, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   36 ARG  HN           34 ASP  HA          5.50    (#   2190:25  Unique         4.31, 4.43 A)
 &rst
  ixpk= 2190, nxpk= 25, iat= 566, 541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HB-          34 ASP  HB+         7.00    (#   2192:25  Unique         3.09, 5.62 A)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 570, 571,
 igr2= 543, 544,
 &end
#
#    0 AMB  25-2:2193     0 AMB  25-1:2193   5.50    (#   2193:25  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 543, 544, 543, 544,
 &end
#
#   36 ARG  HN           35 GLU  HB+         5.50    (#   2194:25  Unique         4.11, 4.39 A)
 &rst
  ixpk= 2194, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 555, 556,
 &end
#
#   36 ARG  HN           35 GLU  HB-         5.50    (#   2195:25  Unique         4.11, 4.39 A)
 &rst
  ixpk= 2195, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 555, 556,
 &end
#
#    0 AMB  25-2:2196     0 AMB  25-1:2196   7.00    (#   2196:25  Double Ambig)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 541, 984,
 igr2= 555, 556, 555, 556,
 &end
#
#    0 AMB  25-2:2197     0 AMB  25-1:2197   5.50    (#   2197:25  Double Ambig)
 &rst
  ixpk= 2197, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 512, 513, 514, 516, 517, 518, 510,
 igr2= 555, 556, 555, 556,
 &end
#
#   32 LEU  MDX          35 GLU  HB+         5.50    (#   2198:25  Unique         4.05, 6.50 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 512, 513, 514, 516, 517, 518,
 igr2= 555, 556,
 &end
#
#   36 ARG  HN           35 GLU  HG-         5.50    (#   2199:25  Unique         4.23, 5.26 A)
 &rst
  ixpk= 2199, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 558, 559,
 &end
#
#   34 ASP  HB+          35 GLU  HG-         5.50    (#   2201:25  Unique         5.26, 6.60 A)
 &rst
  ixpk= 2201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 558, 559,
 &end
#
#    0 AMB  25-2:2202    35 GLU  HG-         4.50    (#   2202:25  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 510,
 igr2= 558, 559,
 &end
#
#   63 GLY  HA-          36 ARG  HB-         7.00    (#   2205:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 977, 978,
 igr2= 570, 571,
 &end
#
#   63 GLY  HA-          36 ARG  HB+         7.00    (#   2206:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 977, 978,
 igr2= 570, 571,
 &end
#
#   36 ARG  HA           36 ARG  HB+         3.50    (#   2207:25  Unique         2.24, 2.80 A)
 &rst
  ixpk= 2207, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-2:2208     0 AMB  25-1:2208   2.50    (#   2208:25  Double Ambig)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 570, 571, 570, 571,
 &end
#
#   36 ARG  HN           37 VAL  HA          5.50    (#   2209:25  Unique         4.56, 4.73 A)
 &rst
  ixpk= 2209, nxpk= 25, iat= 566, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LEU  HA            0 AMB  25-1:2210   5.50    (#   2210:25  Single Ambig)
 &rst
  ixpk= 2210, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592,1422,
 &end
#
#   39 VAL  HA           38 LEU  HA          5.50    (#   2211:25  Unique         4.35, 4.42 A)
 &rst
  ixpk= 2211, nxpk= 25, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2212    38 LEU  HA          5.50    (#   2212:25  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 799, 800, 643,
 &end
#
#   50 GLY  HN           39 VAL  HB          4.50    (#   2217:25  Unique         2.32, 2.67 A)
 &rst
  ixpk= 2217, nxpk= 25, iat= 797, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LEU  HA           39 VAL  HB          5.50    (#   2218:25  Unique         4.62, 4.73 A)
 &rst
  ixpk= 2218, nxpk= 25, iat= 608, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 VAL  HA           39 VAL  HB          5.50    (#   2219:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 2219, nxpk= 25, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HD           40 ALA  MB          5.50    (#   2221:25  Unique         2.65, 6.63 A)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 659, 667,
 igr2= 645, 646, 647,
 &end
#
#   39 VAL  MGY          41 PHE  HA          5.50    (#   2228:25  Unique         3.20, 6.02 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   29 LEU  HB-          41 PHE  HA          5.50    (#   2229:25  Unique         4.17, 5.15 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 447, 448,
 &end
#
#    0 AMB  25-2:2230    41 PHE  HA          4.50    (#   2230:25  Single Ambig)
 &rst
  ixpk= 2230, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 785, 447, 448,
 &end
#
#   39 VAL  MGY          42 GLY  HA-         4.50    (#   2232:25  Unique         2.44, 5.67 A)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 631, 632, 633, 635, 636, 637,
 igr2= 673, 674,
 &end
#
#   43 GLN  HE2-         49 VAL  MGY         5.50    (#   2235:25  Unique         2.84, 6.29 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 690, 691,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   38 LEU  HB-          50 GLY  HA-         5.50    (#   2240:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611,
 igr2= 799, 800,
 &end
#
#   38 LEU  HB-          50 GLY  HA+         5.50    (#   2241:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-2:2242    52 ALA  HA          5.50    (#   2242:25  Single Ambig)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 806,1390,
 &end
#
#    0 AMB  25-2:2243    52 ALA  HA          5.50    (#   2243:25  Single Ambig)
 &rst
  ixpk= 2243, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 833, 808, 809,
 &end
#
#   52 ALA  HA           53 VAL  HA          5.50    (#   2246:25  Unique         4.28, 4.43 A)
 &rst
  ixpk= 2246, nxpk= 25, iat= 823, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2247    53 VAL  HA          5.50    (#   2247:25  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 849, 806,
 &end
#
#   88 PHE  HB+          53 VAL  HA          5.50    (#   2248:25  Unique         2.16, 3.52 A)
 &rst
  ixpk= 2248, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1365,1366,
 &end
#
#   75 TYR  HD           70 LYS  HB+         5.50    (#   2249:25  Unique         2.65, 4.24 A)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2=1074,1075,
 &end
#
#   86 ILE  MG2          53 VAL  HB          5.50    (#   2250:25  Unique         2.69, 5.09 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#   54 LEU  HN           54 LEU  HB+         4.50    (#   2252:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 2252, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 851, 852,
 &end
#
#   54 LEU  HN           54 LEU  HB-         5.50    (#   2253:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 2253, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 851, 852,
 &end
#
#   55 ALA  HN           54 LEU  HB+         5.50    (#   2254:25  Unique         2.62, 3.34 A)
 &rst
  ixpk= 2254, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 851, 852,
 &end
#
#   55 ALA  HN           54 LEU  HB-         5.50    (#   2255:25  Unique         2.62, 3.34 A)
 &rst
  ixpk= 2255, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 851, 852,
 &end
#
#   54 LEU  HA           54 LEU  HB-         4.50    (#   2256:25  Unique         2.45, 2.80 A)
 &rst
  ixpk= 2256, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 851, 852,
 &end
#
#   86 ILE  HG1+         56 ILE  HA          5.50    (#   2258:25  Unique         2.74, 3.97 A)
 &rst
  ixpk= 2258, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1328,1329,
 &end
#
#   76 LEU  HG           56 ILE  MG2         5.50    (#   2260:25  Unique         3.17, 4.74 A)
 &rst
  ixpk= 2260, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 882, 883, 884,
 &end
#
#    0 AMB  25-2:2263     0 AMB  25-1:2263   5.50    (#   2263:25  Double Ambig)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 904, 905, 866, 945,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   85 SER  HB+          57 ASN  HB+         5.50    (#   2264:25  Unique         4.05, 5.76 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1311,1312,
 igr2= 899, 900,
 &end
#
#   51 HIS  HD2          89 GLY  QA          5.50    (#   2266:25  Unique         2.26, 3.48 A)
 &rst
  ixpk= 2266, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1383,1384,
 &end
#
#   66 THR  MG2          59 MET  HG-         5.50    (#   2270:25  Unique         4.22, 6.67 A)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1033,1034,1035,
 igr2= 923, 924,
 &end
#
#   58 GLY  HA-          59 MET  HG+         5.50    (#   2271:25  Unique         4.02, 5.55 A)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 911, 912,
 igr2= 923, 924,
 &end
#
#   58 GLY  HA-          59 MET  HG-         5.50    (#   2272:25  Unique         4.02, 5.55 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 911, 912,
 igr2= 923, 924,
 &end
#
#   60 ASP  HA           60 ASP  HB-         3.50    (#   2279:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 2279, nxpk= 25, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   55 ALA  MB           60 ASP  HB-         5.50    (#   2280:25  Unique         3.45, 5.09 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 870, 871, 872,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-2:2281    60 ASP  HB-         5.50    (#   2281:25  Single Ambig)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 937, 938,
 &end
#
#   67 ALA  MB           60 ASP  HB-         5.50    (#   2282:25  Unique         3.59, 5.80 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1045,1046,1047,
 igr2= 937, 938,
 &end
#
#   62 ASN  HA           61 VAL  HA          5.50    (#   2284:25  Unique         4.41, 4.45 A)
 &rst
  ixpk= 2284, nxpk= 25, iat= 963, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 MET  HA           61 VAL  HA          7.00    (#   2285:25  Unique         5.70, 6.11 A)
 &rst
  ixpk= 2285, nxpk= 25, iat= 918, 947, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 ALA  MB           61 VAL  HA          5.50    (#   2286:25  Unique         6.08, 6.69 A)
 &rst
  ixpk= 2286, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 870, 871, 872,
 &end
#
#   53 VAL  HA           53 VAL  HB          5.50    (#   2287:25  Unique         2.22, 2.90 A)
 &rst
  ixpk= 2287, nxpk= 25, iat= 833, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HE           64 ARG  HB+         5.50    (#   2289:25  Unique         2.45, 5.68 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2= 986, 987,
 &end
#
#    0 AMB  25-2:2290    64 ARG  HG-         5.50    (#   2290:25  Single Ambig)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 995,1006,
 igr2= 989, 990,
 &end
#
#   64 ARG  HA           64 ARG  HG+         4.50    (#   2291:25  Unique         2.55, 3.73 A)
 &rst
  ixpk= 2291, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   59 MET  HG+          66 THR  HB          7.00    (#   2295:25  Unique         3.67, 4.93 A)
 &rst
  ixpk= 2295, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 923, 924,
 &end
#
#   67 ALA  MB           68 ASP  HA          5.50    (#   2300:25  Unique         4.35, 4.92 A)
 &rst
  ixpk= 2300, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1045,1046,1047,
 &end
#
#   71 GLU  HN           70 LYS  QE          7.00    (#   2301:25  Unique         3.08, 5.98 A)
 &rst
  ixpk= 2301, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1083,1084,
 &end
#
#    0 AMB  25-2:2302     0 AMB  25-1:2302   5.50    (#   2302:25  Double Ambig)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 986, 987, 197, 198, 199,
 igr2=1094, 163,
 &end
#
#   72 VAL  HN           73 LEU  HA          5.50    (#   2303:25  Unique         5.42, 5.48 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2307     0 AMB  25-1:2307   5.50    (#   2307:25  Double Ambig)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1149,1150,1146,1147,
 igr2=1127,1128,1127,1128,
 &end
#
#    0 AMB  25-2:2308    73 LEU  HB-         5.50    (#   2308:25  Single Ambig)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1149,1150,1146,1147,
 igr2=1127,1128,
 &end
#
#   73 LEU  HN           74 GLU  HA          5.50    (#   2309:25  Unique         5.05, 5.34 A)
 &rst
  ixpk= 2309, nxpk= 25, iat=1123,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HN           74 GLU  HA          5.50    (#   2310:25  Unique         3.87, 4.12 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=1204,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LEU  HB-          74 GLU  HA          5.50    (#   2312:25  Unique         4.20, 4.50 A)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1127,1128,
 &end
#
#   75 TYR  HB-          74 GLU  HA          7.00    (#   2314:25  Unique         5.77, 5.84 A)
 &rst
  ixpk= 2314, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1161,1162,
 &end
#
#   73 LEU  MDX          74 GLU  HA          5.50    (#   2315:25  Unique         6.50, 7.22 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#   71 GLU  HN           74 GLU  HB+         5.50    (#   2316:25  Unique         3.27, 4.16 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1146,1147,
 &end
#
#   71 GLU  HN           74 GLU  HG-         5.50    (#   2317:25  Unique         4.46, 5.59 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   71 GLU  HN           74 GLU  HG+         7.00    (#   2318:25  Unique         4.46, 5.59 A)
 &rst
  ixpk= 2318, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1149,1150,
 &end
#
#   74 GLU  HN           75 TYR  HA          5.50    (#   2319:25  Unique         5.07, 5.14 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=1142,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 TYR  HA           75 TYR  HB+         4.50    (#   2320:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   76 LEU  MDX          76 LEU  HB-         3.50    (#   2321:25  Unique         2.41, 3.31 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1187,1188,1189,1191,1192,1193,
 igr2=1182,1183,
 &end
#
#   75 TYR  HD           76 LEU  HG          5.50    (#   2322:25  Unique         2.50, 4.76 A)
 &rst
  ixpk= 2322, nxpk= 25, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1165,1174,
 &end
#
#   78 ASN  HA           77 GLY  HA-         5.50    (#   2323:25  Unique         4.42, 4.68 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:2325    77 GLY  HA-         7.00    (#   2325:25  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1182,1183,1127,1128,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:2326     0 AMB  25-1:2326   5.50    (#   2326:25  Double Ambig)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1182,1183,1127,1128,
 igr2=1199,1200,1199,1200,
 &end
#
#   24 TYR  HN           79 PRO  HA          7.00    (#   2327:25  Unique         5.77, 6.28 A)
 &rst
  ixpk= 2327, nxpk= 25, iat= 358,1228, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   79 PRO  HD+          79 PRO  HA          5.50    (#   2328:25  Unique         3.45, 3.78 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   24 TYR  QB           79 PRO  HB-         5.50    (#   2329:25  Unique         5.19, 6.60 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 362, 363,
 igr2=1225,1226,
 &end
#
#   24 TYR  QB           79 PRO  HB+         7.00    (#   2330:25  Unique         5.19, 6.60 A)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 362, 363,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG+          80 ALA  HA          5.50    (#   2334:25  Unique         4.55, 5.45 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1222,1223,
 &end
#
#    0 AMB  25-2:2335    81 ASN  HB-         7.00    (#   2335:25  Single Ambig)
 &rst
  ixpk= 2335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1213,1214,1204,
 igr2=1246,1247,
 &end
#
#   57 ASN  HD2-         84 VAL  HB          5.50    (#   2336:25  Unique         2.73, 4.34 A)
 &rst
  ixpk= 2336, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 904, 905,
 &end
#
#   57 ASN  HA           85 SER  HA          5.50    (#   2338:25  Unique         4.87, 5.17 A)
 &rst
  ixpk= 2338, nxpk= 25, iat= 897,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 THR  HA           85 SER  HB-         5.50    (#   2341:25  Unique         3.81, 4.44 A)
 &rst
  ixpk= 2341, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1311,1312,
 &end
#
#   86 ILE  HN           86 ILE  HB          5.50    (#   2343:25  Unique         2.72, 2.87 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=1318,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 ILE  MG2          86 ILE  HG1+        4.50    (#   2344:25  Unique         2.42, 3.57 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1324,1325,1326,
 igr2=1328,1329,
 &end
#
#   54 LEU  MDY          90 ARG  HB+         5.50    (#   2350:25  Unique         4.02, 7.28 A)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=1392,1393,
 &end
#
#   54 LEU  MDY          90 ARG  HB-         5.50    (#   2351:25  Unique         4.02, 7.28 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=1392,1393,
 &end
#
#   76 LEU  HN           72 VAL  HA          5.50    (#   2356:25  Unique         3.62, 3.75 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=1178,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2357    76 LEU  HA          5.50    (#   2357:25  Single Ambig)
 &rst
  ixpk= 2357, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1251,1252,1197,
 &end
#
#   86 ILE  MD1          22 PHE  HD          5.50    (#     15:26  Unique         2.52, 4.93 A)
 &rst
  ixpk= 15, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1331,1332,1333,
 igr2= 335, 343,
 &end
#
#   24 TYR  HN           82 TYR  HD          4.50    (#     24:26  Unique         3.03, 4.17 A)
 &rst
  ixpk= 24, nxpk= 26, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1264,1273,
 &end
#
#   81 ASN  HN           82 TYR  HD          5.50    (#     25:26  Unique         4.02, 5.42 A)
 &rst
  ixpk= 25, nxpk= 26, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1264,1273,
 &end
#
#   22 PHE  HE           22 PHE  HD          3.50    (#     26:26  Unique         2.47, 3.72 A)
 &rst
  ixpk= 26, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 337, 341,
 igr2= 335, 343,
 &end
#
#   24 TYR  HD           82 TYR  HD          5.50    (#     27:26  Unique         2.46, 5.18 A)
 &rst
  ixpk= 27, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2=1264,1273,
 &end
#
#   82 TYR  HE           82 TYR  HD          2.50    (#     28:26  Unique         2.44, 3.72 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1266,1271,
 igr2=1264,1273,
 &end
#
#   76 LEU  HN           75 TYR  HD          5.50    (#     29:26  Unique         3.19, 4.59 A)
 &rst
  ixpk= 29, nxpk= 26, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1165,1174,
 &end
#
#   75 TYR  HN           75 TYR  HD          5.50    (#     30:26  Unique         4.32, 4.69 A)
 &rst
  ixpk= 30, nxpk= 26, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1165,1174,
 &end
#
#   81 ASN  HD2+         75 TYR  HD          5.50    (#     31:26  Unique         2.97, 4.10 A)
 &rst
  ixpk= 31, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1251,1252,
 igr2=1165,1174,
 &end
#
#   66 THR  HN           65 TYR  HD          5.50    (#     32:26  Unique         3.91, 5.09 A)
 &rst
  ixpk= 32, nxpk= 26, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   71 GLU  HN           65 TYR  HD          5.50    (#     33:26  Unique         3.32, 5.76 A)
 &rst
  ixpk= 33, nxpk= 26, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:34      65 TYR  HD          5.50    (#     34:26  Single Ambig)
 &rst
  ixpk= 34, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1107, 961,
 igr2=1014,1023,
 &end
#
#   64 ARG  HN           65 TYR  HD          5.50    (#     35:26  Unique         2.48, 4.71 A)
 &rst
  ixpk= 35, nxpk= 26, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   65 TYR  HN           65 TYR  HD          4.50    (#     36:26  Unique         2.77, 3.93 A)
 &rst
  ixpk= 36, nxpk= 26, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1014,1023,
 &end
#
#   70 LYS  HN           65 TYR  HD          5.50    (#     37:26  Unique         4.54, 6.56 A)
 &rst
  ixpk= 37, nxpk= 26, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   12 TYR  HN           12 TYR  HD          4.50    (#     38:26  Unique         2.10, 3.78 A)
 &rst
  ixpk= 38, nxpk= 26, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 180, 189,
 &end
#
#   82 TYR  HD           24 TYR  HD          5.50    (#     43:26  Unique         2.46, 5.18 A)
 &rst
  ixpk= 43, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2= 366, 375,
 &end
#
#   13 ALA  HN           12 TYR  HD          5.50    (#     44:26  Unique         2.70, 4.12 A)
 &rst
  ixpk= 44, nxpk= 26, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 180, 189,
 &end
#
#   62 ASN  HD2+         65 TYR  HD          7.00    (#     45:26  Unique         2.77, 5.28 A)
 &rst
  ixpk= 45, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 970, 971,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:48      75 TYR  HD          2.50    (#     48:26  Single Ambig)
 &rst
  ixpk= 48, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1167,1172,1251,1252,
 igr2=1165,1174,
 &end
#
#   65 TYR  HE           65 TYR  HD          2.50    (#     49:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 49, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1016,1021,
 igr2=1014,1023,
 &end
#
#   65 TYR  HA           65 TYR  HD          4.50    (#     50:26  Unique         2.45, 3.57 A)
 &rst
  ixpk= 50, nxpk= 26, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1014,1023,
 &end
#
#   81 ASN  HA           82 TYR  HD          7.00    (#     53:26  Unique         5.58, 6.77 A)
 &rst
  ixpk= 53, nxpk= 26, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1264,1273,
 &end
#
#   82 TYR  HA           82 TYR  HD          5.50    (#     55:26  Unique         2.00, 3.35 A)
 &rst
  ixpk= 55, nxpk= 26, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:56      82 TYR  HD          5.50    (#     56:26  Single Ambig)
 &rst
  ixpk= 56, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 351, 352,1199,1200,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:57      12 TYR  HD          4.50    (#     57:26  Single Ambig)
 &rst
  ixpk= 57, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 174, 195,
 igr2= 180, 189,
 &end
#
#   70 LYS  HA           65 TYR  HD          5.50    (#     59:26  Unique         3.61, 6.40 A)
 &rst
  ixpk= 59, nxpk= 26, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   71 GLU  HA           65 TYR  HD          4.50    (#     60:26  Unique         2.10, 4.04 A)
 &rst
  ixpk= 60, nxpk= 26, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:61      65 TYR  HD          5.50    (#     61:26  Single Ambig)
 &rst
  ixpk= 61, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1065,1066, 984,
 igr2=1014,1023,
 &end
#
#   75 TYR  HA           75 TYR  HD          4.50    (#     62:26  Unique         2.40, 3.48 A)
 &rst
  ixpk= 62, nxpk= 26, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1165,1174,
 &end
#
#   76 LEU  HA           75 TYR  HD          5.50    (#     63:26  Unique         3.30, 5.14 A)
 &rst
  ixpk= 63, nxpk= 26, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1165,1174,
 &end
#
#    0 AMB  26-2:64      24 TYR  HD          2.50    (#     64:26  Single Ambig)
 &rst
  ixpk= 64, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 368, 373,1266,1271,
 igr2= 366, 375,
 &end
#
#   24 TYR  HA           24 TYR  HD          4.50    (#     65:26  Unique         2.49, 3.53 A)
 &rst
  ixpk= 65, nxpk= 26, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 366, 375,
 &end
#
#    0 AMB  26-2:66      24 TYR  HD          5.50    (#     66:26  Single Ambig)
 &rst
  ixpk= 66, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1228, 331, 332,
 igr2= 366, 375,
 &end
#
#   25 PRO  HA           24 TYR  HD          5.50    (#     67:26  Unique         2.57, 4.45 A)
 &rst
  ixpk= 67, nxpk= 26, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 366, 375,
 &end
#
#   24 TYR  QB           24 TYR  HD          4.50    (#     68:26  Unique         2.30, 3.08 A)
 &rst
  ixpk= 68, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 362, 363,
 igr2= 366, 375,
 &end
#
#   76 LEU  HB+          24 TYR  HD          5.50    (#     69:26  Unique         4.46, 6.19 A)
 &rst
  ixpk= 69, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1182,1183,
 igr2= 366, 375,
 &end
#
#    0 AMB  26-2:70      24 TYR  HD          5.50    (#     70:26  Single Ambig)
 &rst
  ixpk= 70, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 386, 387, 383, 384,
 igr2= 366, 375,
 &end
#
#    0 AMB  26-2:71      82 TYR  HD          5.50    (#     71:26  Single Ambig)
 &rst
  ixpk= 71, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1278,1279, 360,
 igr2=1264,1273,
 &end
#
#   79 PRO  HA           82 TYR  HD          4.50    (#     72:26  Unique         2.15, 3.41 A)
 &rst
  ixpk= 72, nxpk= 26, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1264,1273,
 &end
#
#   22 PHE  HB+          22 PHE  HD          5.50    (#     73:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 73, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 335, 343,
 &end
#
#   69 GLY  HA-          65 TYR  HD          5.50    (#     74:26  Unique         3.86, 5.49 A)
 &rst
  ixpk= 74, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1065,1066,
 igr2=1014,1023,
 &end
#
#   82 TYR  HB-          82 TYR  HD          3.50    (#     76:26  Unique         2.36, 3.11 A)
 &rst
  ixpk= 76, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1260,1261,
 igr2=1264,1273,
 &end
#
#   22 PHE  HB-          22 PHE  HD          5.50    (#     77:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 77, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 335, 343,
 &end
#
#   12 TYR  HB-          12 TYR  HD          4.50    (#     78:26  Unique         2.32, 3.09 A)
 &rst
  ixpk= 78, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 177,
 igr2= 180, 189,
 &end
#
#   12 TYR  HB+          12 TYR  HD          3.50    (#     79:26  Unique         2.32, 3.09 A)
 &rst
  ixpk= 79, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 180, 189,
 &end
#
#    0 AMB  26-2:80      65 TYR  HD          3.50    (#     80:26  Single Ambig)
 &rst
  ixpk= 80, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1010,1011, 992, 993,
 igr2=1014,1023,
 &end
#
#   65 TYR  HB+          65 TYR  HD          3.50    (#     81:26  Unique         2.34, 3.09 A)
 &rst
  ixpk= 81, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1010,1011,
 igr2=1014,1023,
 &end
#
#   75 TYR  HB-          75 TYR  HD          3.50    (#     82:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 82, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1161,1162,
 igr2=1165,1174,
 &end
#
#   75 TYR  HB+          75 TYR  HD          3.50    (#     83:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 83, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1161,1162,
 igr2=1165,1174,
 &end
#
#   71 GLU  HG+          65 TYR  HD          5.50    (#     84:26  Unique         2.62, 5.61 A)
 &rst
  ixpk= 84, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,
 igr2=1014,1023,
 &end
#
#   71 GLU  HB+          65 TYR  HD          5.50    (#     85:26  Unique         2.74, 5.78 A)
 &rst
  ixpk= 85, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:86      75 TYR  HD          5.50    (#     86:26  Single Ambig)
 &rst
  ixpk= 86, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1146,1147,1149,1150,
 igr2=1165,1174,
 &end
#
#   81 ASN  HB+          75 TYR  HD          5.50    (#     87:26  Unique         3.54, 5.75 A)
 &rst
  ixpk= 87, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1246,1247,
 igr2=1165,1174,
 &end
#
#   81 ASN  HB+          82 TYR  HD          5.50    (#     88:26  Unique         4.61, 7.31 A)
 &rst
  ixpk= 88, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1246,1247,
 igr2=1264,1273,
 &end
#
#   81 ASN  HB-          82 TYR  HD          7.00    (#     89:26  Unique         4.61, 7.31 A)
 &rst
  ixpk= 89, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1246,1247,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:90      82 TYR  HD          5.50    (#     90:26  Single Ambig)
 &rst
  ixpk= 90, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1182,1183,1284,1285,1281,1282,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:91      65 TYR  HD          4.50    (#     91:26  Single Ambig)
 &rst
  ixpk= 91, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1099,1100,1096,1097,
 igr2=1014,1023,
 &end
#
#   76 LEU  HG           75 TYR  HD          4.50    (#     92:26  Unique         2.50, 4.76 A)
 &rst
  ixpk= 92, nxpk= 26, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1165,1174,
 &end
#
#   70 LYS  QD           75 TYR  HD          4.50    (#     93:26  Unique         3.06, 6.16 A)
 &rst
  ixpk= 93, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1080,1081,
 igr2=1165,1174,
 &end
#
#   13 ALA  MB           12 TYR  HD          5.50    (#     96:26  Unique         2.78, 6.37 A)
 &rst
  ixpk= 96, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 197, 198, 199,
 igr2= 180, 189,
 &end
#
#    0 AMB  26-2:97      65 TYR  HD          5.50    (#     97:26  Single Ambig)
 &rst
  ixpk= 97, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 986, 987, 989, 990,
 igr2=1014,1023,
 &end
#
#   70 LYS  QG           75 TYR  HD          5.50    (#     98:26  Unique         2.17, 4.91 A)
 &rst
  ixpk= 98, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1077,1078,
 igr2=1165,1174,
 &end
#
#    0 AMB  26-2:99      82 TYR  HD          7.00    (#     99:26  Single Ambig)
 &rst
  ixpk= 99, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1182,1183,1222,1223,
 igr2=1264,1273,
 &end
#
#   79 PRO  HB+          82 TYR  HD          5.50    (#    100:26  Unique         3.41, 4.49 A)
 &rst
  ixpk= 100, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1225,1226,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:103     75 TYR  HD          3.50    (#    103:26  Single Ambig)
 &rst
  ixpk= 103, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 882, 883, 884,1187,1188,1189,1191,1192,1193,
 igr2=1165,1174,
 &end
#
#    0 AMB  26-2:104     65 TYR  HD          4.50    (#    104:26  Single Ambig)
 &rst
  ixpk= 104, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:105     24 TYR  HD          5.50    (#    105:26  Single Ambig)
 &rst
  ixpk= 105, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1187,1188,1189,1191,1192,1193,1225,1226,
 igr2= 366, 375,
 &end
#
#   84 VAL  MGX          82 TYR  HD          5.50    (#    106:26  Unique         5.09, 7.99 A)
 &rst
  ixpk= 106, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2=1264,1273,
 &end
#
#   84 VAL  MGY          82 TYR  HD          7.00    (#    107:26  Unique         5.09, 7.99 A)
 &rst
  ixpk= 107, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2=1264,1273,
 &end
#
#   24 TYR  HN           24 TYR  HD          5.50    (#    108:26  Unique         2.66, 4.11 A)
 &rst
  ixpk= 108, nxpk= 26, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 366, 375,
 &end
#
#   86 ILE  HN           22 PHE  HE          5.50    (#    109:26  Unique         2.90, 5.46 A)
 &rst
  ixpk= 109, nxpk= 26, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 341,
 &end
#
#   42 GLY  HN           41 PHE  HD          5.50    (#    110:26  Unique         2.21, 3.82 A)
 &rst
  ixpk= 110, nxpk= 26, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 659, 667,
 &end
#
#   22 PHE  HZ           22 PHE  HE          4.50    (#    111:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 111, nxpk= 26, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 341,
 &end
#
#   41 PHE  HB+          41 PHE  HD          5.50    (#    114:26  Unique         2.35, 3.09 A)
 &rst
  ixpk= 114, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 659, 667,
 &end
#
#   41 PHE  HB-          41 PHE  HD          5.50    (#    115:26  Unique         2.35, 3.09 A)
 &rst
  ixpk= 115, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 659, 667,
 &end
#
#   88 PHE  HB-          88 PHE  HD          5.50    (#    116:26  Unique         2.29, 3.08 A)
 &rst
  ixpk= 116, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1365,1366,
 igr2=1369,1377,
 &end
#
#    0 AMB  26-2:117     88 PHE  HD          5.50    (#    117:26  Single Ambig)
 &rst
  ixpk= 117, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1365,1366, 808, 809,
 igr2=1369,1377,
 &end
#
#   22 PHE  HB-          22 PHE  HE          5.50    (#    118:26  Unique         4.61, 5.09 A)
 &rst
  ixpk= 118, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 337, 341,
 &end
#
#   22 PHE  HB+          22 PHE  HE          5.50    (#    119:26  Unique         4.61, 5.09 A)
 &rst
  ixpk= 119, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 337, 341,
 &end
#
#    0 AMB  26-2:120     22 PHE  HE          5.50    (#    120:26  Single Ambig)
 &rst
  ixpk= 120, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 295, 296,1322,
 igr2= 337, 341,
 &end
#
#   29 LEU  HB-          41 PHE  HD          5.50    (#    123:26  Unique         2.34, 5.23 A)
 &rst
  ixpk= 123, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 447, 448,
 igr2= 659, 667,
 &end
#
#   29 LEU  HB+          41 PHE  HD          5.50    (#    124:26  Unique         2.34, 5.23 A)
 &rst
  ixpk= 124, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 447, 448,
 igr2= 659, 667,
 &end
#
#    0 AMB  26-2:126     41 PHE  HD          5.50    (#    126:26  Single Ambig)
 &rst
  ixpk= 126, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 659, 667,
 &end
#
#    0 AMB  26-2:128     88 PHE  HD          3.50    (#    128:26  Single Ambig)
 &rst
  ixpk= 128, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 igr2=1369,1377,
 &end
#
#   86 ILE  MG2          22 PHE  HE          5.50    (#    130:26  Unique         4.04, 6.39 A)
 &rst
  ixpk= 130, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1324,1325,1326,
 igr2= 337, 341,
 &end
#
#   41 PHE  HA           41 PHE  HD          5.50    (#    133:26  Unique         2.42, 3.45 A)
 &rst
  ixpk= 133, nxpk= 26, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 659, 667,
 &end
#
#   24 TYR  HN           82 TYR  HE          4.50    (#    148:26  Unique         2.77, 5.25 A)
 &rst
  ixpk= 148, nxpk= 26, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1266,1271,
 &end
#
#   57 ASN  HD2-         75 TYR  HE          5.50    (#    150:26  Unique         2.46, 4.18 A)
 &rst
  ixpk= 150, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 904, 905,
 igr2=1167,1172,
 &end
#
#   82 TYR  HD           82 TYR  HE          2.50    (#    151:26  Unique         2.44, 3.72 A)
 &rst
  ixpk= 151, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1264,1273,
 igr2=1266,1271,
 &end
#
#   24 TYR  HD            0 AMB  26-1:152    2.50    (#    152:26  Single Ambig)
 &rst
  ixpk= 152, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 366, 375,
 igr2= 368, 373,1266,1271,
 &end
#
#   64 ARG  HE           65 TYR  HE          5.50    (#    153:26  Unique         2.45, 3.87 A)
 &rst
  ixpk= 153, nxpk= 26, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   75 TYR  HD           75 TYR  HE          2.50    (#    154:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 154, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1165,1174,
 igr2=1167,1172,
 &end
#
#   12 TYR  HD           12 TYR  HE          2.50    (#    155:26  Unique         2.42, 3.72 A)
 &rst
  ixpk= 155, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 180, 189,
 igr2= 182, 187,
 &end
#
#    0 AMB  26-2:156     12 TYR  HE          5.50    (#    156:26  Single Ambig)
 &rst
  ixpk= 156, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 172, 161,
 igr2= 182, 187,
 &end
#
#   64 ARG  HN           65 TYR  HE          5.50    (#    158:26  Unique         3.67, 5.64 A)
 &rst
  ixpk= 158, nxpk= 26, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   72 VAL  HN           65 TYR  HE          7.00    (#    159:26  Unique         5.18, 6.50 A)
 &rst
  ixpk= 159, nxpk= 26, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1016,1021,
 &end
#
#   71 GLU  HN           65 TYR  HE          5.50    (#    160:26  Unique         3.74, 6.63 A)
 &rst
  ixpk= 160, nxpk= 26, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   65 TYR  HA           65 TYR  HE          5.50    (#    161:26  Unique         4.75, 5.41 A)
 &rst
  ixpk= 161, nxpk= 26, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   76 LEU  HA            0 AMB  26-1:169    4.50    (#    169:26  Single Ambig)
 &rst
  ixpk= 169, nxpk= 26, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 368, 373,1167,1172,
 &end
#
#   77 GLY  HA-           0 AMB  26-1:170    5.50    (#    170:26  Single Ambig)
 &rst
  ixpk= 170, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1199,1200,
 igr2= 368, 373,1266,1271,
 &end
#
#   24 TYR  HA            0 AMB  26-1:171    5.50    (#    171:26  Single Ambig)
 &rst
  ixpk= 171, nxpk= 26, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 368, 373,1266,1271,
 &end
#
#    0 AMB  26-2:174     82 TYR  HE          4.50    (#    174:26  Single Ambig)
 &rst
  ixpk= 174, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 380, 381, 389,
 igr2=1266,1271,
 &end
#
#    0 AMB  26-2:175      0 AMB  26-1:175    3.50    (#    175:26  Double Ambig)
 &rst
  ixpk= 175, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 331, 332,1083,1084,1260,1261,1161,1162,
 igr2= 368, 373,1167,1172,
 &end
#
#   81 ASN  HB+          75 TYR  HE          4.50    (#    176:26  Unique         2.77, 5.48 A)
 &rst
  ixpk= 176, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1167,1172,
 &end
#
#   81 ASN  HB-          75 TYR  HE          5.50    (#    177:26  Unique         2.77, 5.48 A)
 &rst
  ixpk= 177, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1246,1247,
 igr2=1167,1172,
 &end
#
#   76 LEU  HB+          24 TYR  HE          3.50    (#    178:26  Unique         2.37, 4.77 A)
 &rst
  ixpk= 178, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1182,1183,
 igr2= 368, 373,
 &end
#
#   76 LEU  HB-          24 TYR  HE          3.50    (#    179:26  Unique         2.37, 4.77 A)
 &rst
  ixpk= 179, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1182,1183,
 igr2= 368, 373,
 &end
#
#    0 AMB  26-2:181      0 AMB  26-1:181    4.50    (#    181:26  Double Ambig)
 &rst
  ixpk= 181, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 886, 887,1222,1223,
 igr2=1167,1172,1266,1271,
 &end
#
#    0 AMB  26-2:182     65 TYR  HE          4.50    (#    182:26  Single Ambig)
 &rst
  ixpk= 182, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 986, 987, 989, 990,
 igr2=1016,1021,
 &end
#
#    0 AMB  26-2:184     65 TYR  HE          3.50    (#    184:26  Single Ambig)
 &rst
  ixpk= 184, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1096,1097,1099,1100,
 igr2=1016,1021,
 &end
#
#   71 GLU  HB+          65 TYR  HE          5.50    (#    185:26  Unique         2.44, 5.79 A)
 &rst
  ixpk= 185, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2=1016,1021,
 &end
#
#   71 GLU  HG+          65 TYR  HE          4.50    (#    186:26  Unique         2.54, 5.47 A)
 &rst
  ixpk= 186, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,
 igr2=1016,1021,
 &end
#
#   11 SER  QB           12 TYR  HE          5.50    (#    189:26  Unique         3.54, 6.49 A)
 &rst
  ixpk= 189, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 165, 166,
 igr2= 182, 187,
 &end
#
#   64 ARG  QD           65 TYR  HE          4.50    (#    190:26  Unique         2.57, 4.68 A)
 &rst
  ixpk= 190, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 992, 993,
 igr2=1016,1021,
 &end
#
#    0 AMB  26-2:192     65 TYR  HE          5.50    (#    192:26  Single Ambig)
 &rst
  ixpk= 192, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518,
 igr2=1016,1021,
 &end
#
#   64 ARG  HG-          65 TYR  HE          5.50    (#    193:26  Unique         2.71, 4.34 A)
 &rst
  ixpk= 193, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1016,1021,
 &end
#
#    0 AMB  26-2:195      0 AMB  26-1:195    2.50    (#    195:26  Double Ambig)
 &rst
  ixpk= 195, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1297,1298,1299,1301,1302,1303,1033,1034,1035,
 igr2=1167,1172, 368, 373,
 &end
#
#   52 ALA  HN           51 HIS  HD2         5.50    (#    196:26  Unique         3.54, 3.92 A)
 &rst
  ixpk= 196, nxpk= 26, iat= 821, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:197     51 HIS  HD2         5.50    (#    197:26  Single Ambig)
 &rst
  ixpk= 197, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1381,
 &end
#
#   51 HIS  HN           51 HIS  HD2         5.50    (#    198:26  Unique         4.30, 5.01 A)
 &rst
  ixpk= 198, nxpk= 26, iat= 804, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           51 HIS  HD2         5.50    (#    199:26  Unique         3.02, 6.24 A)
 &rst
  ixpk= 199, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#    0 AMB  26-2:201     51 HIS  HD2         5.50    (#    201:26  Single Ambig)
 &rst
  ixpk= 201, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 806,1390,
 &end
#
#   51 HIS  HB+          51 HIS  HD2         5.50    (#    204:26  Unique         2.52, 3.24 A)
 &rst
  ixpk= 204, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
#    0 AMB  26-2:205     51 HIS  HD2         5.50    (#    205:26  Single Ambig)
 &rst
  ixpk= 205, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 808, 809,1365,1366,
 &end
#
#   52 ALA  MB           51 HIS  HD2         5.50    (#    209:26  Unique         5.53, 6.71 A)
 &rst
  ixpk= 209, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 825, 826, 827,
 &end
#
#    0 AMB  26-2:210     51 HIS  HD2         5.50    (#    210:26  Single Ambig)
 &rst
  ixpk= 210, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 856, 857, 858, 860, 861, 862, 631, 632, 633, 635,
       636, 637,
 &end
#
#   91 PRO  QG           51 HIS  HD2         7.00    (#    214:26  Unique         5.70, 7.32 A)
 &rst
  ixpk= 214, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1416,1417,
 &end
#
#   76 LEU  HG            0 AMB  26-1:217    4.50    (#    217:26  Single Ambig)
 &rst
  ixpk= 217, nxpk= 26, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1167,1172, 368, 373,
 &end
#
#    0 AMB  26-2:219     75 TYR  HD          5.50    (#    219:26  Single Ambig)
 &rst
  ixpk= 219, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1072,1244,
 igr2=1165,1174,
 &end
#
#   34 ASP  HB-          34 ASP  HN          4.50    (#      0:15  Unique         2.85, 3.21 A)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 543, 544,
 &end
#
#   35 GLU  HN           34 ASP  HN          4.50    (#      1:15  Unique         2.76, 2.90 A)
 &rst
  ixpk= 1, nxpk= 15, iat= 551, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 HIS  HA           34 ASP  HN          2.50    (#      3:15  Unique         2.19, 2.27 A)
 &rst
  ixpk= 3, nxpk= 15, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   34 ASP  HA           34 ASP  HN          2.50    (#      4:15  Unique         2.24, 2.26 A)
 &rst
  ixpk= 4, nxpk= 15, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:5       34 ASP  HN          3.50    (#      5:15  Single Ambig)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 543, 544, 526, 527,
 &end
#
#   58 GLY  HN           57 ASN  HN          3.50    (#      6:15  Unique         2.86, 2.95 A)
 &rst
  ixpk= 6, nxpk= 15, iat= 909, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 ILE  HA           57 ASN  HN          4.50    (#      7:15  Unique         3.38, 3.52 A)
 &rst
  ixpk= 7, nxpk= 15, iat=1320, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HA           57 ASN  HN          2.50    (#      8:15  Unique         2.15, 2.20 A)
 &rst
  ixpk= 8, nxpk= 15, iat= 878, 895, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   57 ASN  HA           57 ASN  HN          2.50    (#      9:15  Unique         2.23, 2.25 A)
 &rst
  ixpk= 9, nxpk= 15, iat= 897, 895, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:10      57 ASN  HN          3.50    (#     10:15  Single Ambig)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   56 ILE  MG2          57 ASN  HN          2.50    (#     11:15  Unique         2.63, 3.31 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 882, 883, 884,
 &end
#
#   65 TYR  HA           72 VAL  HN          3.50    (#     13:15  Unique         2.56, 2.72 A)
 &rst
  ixpk= 13, nxpk= 15, iat=1008,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HA           72 VAL  HN          2.50    (#     14:15  Unique         2.14, 2.18 A)
 &rst
  ixpk= 14, nxpk= 15, iat=1094,1107, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   72 VAL  HA           72 VAL  HN          3.50    (#     15:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 15, nxpk= 15, iat=1109,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HB+          72 VAL  HN          5.50    (#     16:15  Unique         3.35, 4.22 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#    0 AMB  15-2:17      72 VAL  HN          4.50    (#     17:15  Single Ambig)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,1096,1097,
 &end
#
#   72 VAL  HB           72 VAL  HN          3.50    (#     18:15  Unique         2.20, 2.42 A)
 &rst
  ixpk= 18, nxpk= 15, iat=1111,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:19      72 VAL  HN          2.50    (#     19:15  Single Ambig)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   73 LEU  HN           72 VAL  HN          4.50    (#     20:15  Unique         2.83, 2.93 A)
 &rst
  ixpk= 20, nxpk= 15, iat=1123,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 MET  HA           60 ASP  HN          2.50    (#     21:15  Unique         2.09, 2.16 A)
 &rst
  ixpk= 21, nxpk= 15, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   60 ASP  HB+          60 ASP  HN          3.50    (#     22:15  Unique         2.27, 2.47 A)
 &rst
  ixpk= 22, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#   60 ASP  HB-          60 ASP  HN          2.50    (#     23:15  Unique         2.27, 2.47 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 937, 938,
 &end
#
#   59 MET  HB-          60 ASP  HN          4.50    (#     24:15  Unique         3.28, 4.02 A)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   55 ALA  MB           60 ASP  HN          4.50    (#     25:15  Unique         3.78, 4.51 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  15-2:32      13 ALA  HN          3.50    (#     32:15  Single Ambig)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 174, 195,
 &end
#
#    0 AMB  15-2:33      13 ALA  HN          4.50    (#     33:15  Single Ambig)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 204, 205, 204, 205,
 &end
#
#   13 ALA  MB           13 ALA  HN          3.50    (#     34:15  Unique         2.44, 3.22 A)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 197, 198, 199,
 &end
#
#   85 SER  HN           86 ILE  HN          4.50    (#     35:15  Unique         4.31, 4.48 A)
 &rst
  ixpk= 35, nxpk= 15, iat=1307,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 PHE  HE           86 ILE  HN          4.50    (#     36:15  Unique         2.90, 5.46 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 337, 341,
 &end
#
#   85 SER  HA           86 ILE  HN          2.50    (#     37:15  Unique         2.22, 2.29 A)
 &rst
  ixpk= 37, nxpk= 15, iat=1309,1318, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   21 THR  HA           86 ILE  HN          4.50    (#     38:15  Unique         3.14, 3.45 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 315,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 ILE  HA           86 ILE  HN          3.50    (#     39:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 39, nxpk= 15, iat=1320,1318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:40      86 ILE  HN          4.50    (#     40:15  Single Ambig)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1311,1312,1311,1312,
 &end
#
#    0 AMB  15-2:41      86 ILE  HN          3.50    (#     41:15  Single Ambig)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1328,1329,1322,
 &end
#
#   86 ILE  HG1-         86 ILE  HN          3.50    (#     42:15  Unique         2.67, 3.49 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1328,1329,
 &end
#
#    0 AMB  15-2:43      86 ILE  HN          4.50    (#     43:15  Single Ambig)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1331,1332,1333, 882, 883, 884,
 &end
#
#   12 TYR  HD           13 ALA  HN          4.50    (#     44:15  Unique         2.70, 4.12 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 180, 189,
 &end
#
#   12 TYR  HB+          13 ALA  HN          4.50    (#     46:15  Unique         2.22, 3.49 A)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#    0 AMB  15-2:47      54 LEU  HN          3.50    (#     47:15  Single Ambig)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
       861, 862, 951, 952, 953, 955, 956, 957,
 &end
#
#   30 LEU  HA           30 LEU  HN          4.50    (#     48:15  Unique         2.92, 2.96 A)
 &rst
  ixpk= 48, nxpk= 15, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LEU  HA           30 LEU  HN          2.50    (#     49:15  Unique         2.23, 2.35 A)
 &rst
  ixpk= 49, nxpk= 15, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:50      30 LEU  HN          3.50    (#     50:15  Single Ambig)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 447, 448, 466, 467,
 &end
#
#   30 LEU  HB-          30 LEU  HN          4.50    (#     51:15  Unique         2.55, 3.20 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#    0 AMB  15-2:53      30 LEU  HN          3.50    (#     53:15  Single Ambig)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 &end
#
#   55 ALA  HN           54 LEU  HN          3.50    (#     54:15  Unique         1.83, 1.98 A)
 &rst
  ixpk= 54, nxpk= 15, iat= 866, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 VAL  HA           54 LEU  HN          2.50    (#     55:15  Unique         2.18, 2.23 A)
 &rst
  ixpk= 55, nxpk= 15, iat= 833, 847, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   54 LEU  HB-          54 LEU  HN          3.50    (#     56:15  Unique         2.39, 3.06 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 851, 852,
 &end
#
#   54 LEU  HB+          54 LEU  HN          4.50    (#     58:15  Unique         2.39, 3.06 A)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 851, 852,
 &end
#
#   21 THR  HA           22 PHE  HN          3.50    (#     60:15  Unique         2.17, 2.26 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 THR  MG2          22 PHE  HN          4.50    (#     61:15  Unique         2.43, 4.33 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 320, 321,
 &end
#
#   31 LYS  HN           38 LEU  HN          3.50    (#     62:15  Unique         2.55, 2.71 A)
 &rst
  ixpk= 62, nxpk= 15, iat= 481, 606, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:63      38 LEU  HN          3.50    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 613, 491, 492, 466, 467,
 &end
#
#   38 LEU  HB-          38 LEU  HN          3.50    (#     64:15  Unique         2.36, 3.13 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 610, 611,
 &end
#
#    0 AMB  15-2:66      96 ASN  HN          3.50    (#     66:15  Single Ambig)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1485,1496,
 &end
#
#   95 SER  QB           96 ASN  HN          4.50    (#     68:15  Unique         2.20, 3.69 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1487,1488,
 &end
#
#   96 ASN  QB           96 ASN  HN          4.50    (#     69:15  Unique         2.36, 2.88 A)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1498,1499,
 &end
#
#   36 ARG  HN           33 HIS  HN          3.50    (#     70:15  Unique         2.83, 2.92 A)
 &rst
  ixpk= 70, nxpk= 15, iat= 566, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 LEU  HA           33 HIS  HN          2.50    (#     71:15  Unique         2.19, 2.22 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   33 HIS  HA           33 HIS  HN          3.50    (#     72:15  Unique         2.88, 2.92 A)
 &rst
  ixpk= 72, nxpk= 15, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 VAL  HA           33 HIS  HN          3.50    (#     73:15  Unique         2.97, 3.35 A)
 &rst
  ixpk= 73, nxpk= 15, iat= 592, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 HIS  HB+          33 HIS  HN          3.50    (#     74:15  Unique         2.74, 3.18 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#   33 HIS  HB-          33 HIS  HN          3.50    (#     75:15  Unique         2.74, 3.18 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#    0 AMB  15-2:76      33 HIS  HN          3.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 613, 491, 492, 570, 571, 507, 508,
 &end
#
#   32 LEU  HB-          33 HIS  HN          4.50    (#     77:15  Unique         4.03, 4.35 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 507, 508,
 &end
#
#    0 AMB  15-2:78      33 HIS  HN          2.50    (#     78:15  Single Ambig)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518,
 &end
#
#   38 LEU  HA           38 LEU  HN          4.50    (#     79:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 79, nxpk= 15, iat= 608, 606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HA           38 LEU  HN          2.50    (#     80:15  Unique         2.07, 2.15 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 592, 606, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:81      38 LEU  HN          3.50    (#     81:15  Single Ambig)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616, 617, 619, 620, 621, 596, 597, 598, 600,
       601, 602, 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  15-2:83      16 ALA  HN          3.50    (#     83:15  Single Ambig)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 219, 243,
 &end
#
#    0 AMB  15-2:84      16 ALA  HN          4.50    (#     84:15  Single Ambig)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 221, 222,1392,1393, 210, 211,
 &end
#
#   16 ALA  MB           16 ALA  HN          3.50    (#     85:15  Unique         2.34, 3.17 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 245, 246, 247,
 &end
#
#    0 AMB  15-2:88      67 ALA  HN          2.50    (#     88:15  Single Ambig)
 &rst
  ixpk= 88, nxpk= 15, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1031,1029,
 &end
#
#   67 ALA  HA           67 ALA  HN          3.50    (#     89:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 89, nxpk= 15, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  MB           67 ALA  HN          2.50    (#     90:15  Unique         2.39, 2.82 A)
 &rst
  ixpk= 90, nxpk= 15, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1045,1046,1047,
 &end
#
#    0 AMB  15-2:91      67 ALA  HN          3.50    (#     91:15  Single Ambig)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
      1114,1115,1117,1118,1119,
 &end
#
#   65 TYR  HN           64 ARG  HN          2.50    (#     95:15  Unique         1.79, 2.07 A)
 &rst
  ixpk= 95, nxpk= 15, iat=1006, 982, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   63 GLY  HA-          64 ARG  HN          2.50    (#     96:15  Unique         2.20, 2.98 A)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 977, 978,
 &end
#
#    0 AMB  15-2:97      64 ARG  HN          4.50    (#     97:15  Single Ambig)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 596, 597, 598, 600, 601, 602,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119, 512, 513,
       514, 516, 517, 518, 512, 513, 514, 516, 517, 518,
       951, 952, 953, 955, 956, 957,
 &end
#
#   64 ARG  HG-          64 ARG  HN          4.50    (#     98:15  Unique         2.02, 3.14 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 989, 990,
 &end
#
#   65 TYR  HD           64 ARG  HN          5.50    (#     99:15  Unique         2.48, 4.71 A)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1014,1023,
 &end
#
#   64 ARG  QD           64 ARG  HN          4.50    (#    100:15  Unique         2.23, 4.27 A)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 992, 993,
 &end
#
#    0 AMB  15-2:101     64 ARG  HN          3.50    (#    101:15  Single Ambig)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 989, 990, 986, 987,
 &end
#
#   94 THR  HN           93 LEU  HN          5.50    (#    102:15  Unique         1.97, 3.73 A)
 &rst
  ixpk= 102, nxpk= 15, iat=1469,1450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 LEU  HA           93 LEU  HN          3.50    (#    104:15  Unique         2.22, 2.81 A)
 &rst
  ixpk= 104, nxpk= 15, iat=1452,1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   92 ARG  HA           93 LEU  HN          3.50    (#    105:15  Unique         2.25, 2.74 A)
 &rst
  ixpk= 105, nxpk= 15, iat=1428,1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 LEU  QB           93 LEU  HN          3.50    (#    106:15  Unique         2.29, 2.92 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1454,1455,
 &end
#
#   72 VAL  HN           71 GLU  HN          4.50    (#    110:15  Unique         4.50, 4.54 A)
 &rst
  ixpk= 110, nxpk= 15, iat=1107,1092, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 LYS  HA           71 GLU  HN          2.50    (#    111:15  Unique         2.28, 2.32 A)
 &rst
  ixpk= 111, nxpk= 15, iat=1072,1092, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   71 GLU  HA           71 GLU  HN          3.50    (#    112:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 112, nxpk= 15, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HG+          71 GLU  HN          4.50    (#    113:15  Unique         2.87, 4.36 A)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1099,1100,
 &end
#
#   71 GLU  HB+          71 GLU  HN          2.50    (#    114:15  Unique         2.25, 2.60 A)
 &rst
  ixpk= 114, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1096,1097,
 &end
#
#    0 AMB  15-2:115     71 GLU  HN          3.50    (#    115:15  Single Ambig)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,1099,1100,
 &end
#
#   70 LYS  QD           71 GLU  HN          4.50    (#    116:15  Unique         4.12, 4.73 A)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1080,1081,
 &end
#
#   70 LYS  QG           71 GLU  HN          5.50    (#    117:15  Unique         3.85, 5.31 A)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1077,1078,
 &end
#
#   61 VAL  HA           62 ASN  HN          2.50    (#    118:15  Unique         2.07, 2.18 A)
 &rst
  ixpk= 118, nxpk= 15, iat= 947, 961, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   62 ASN  HB+          62 ASN  HN          3.50    (#    119:15  Unique         2.35, 2.65 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 966,
 &end
#
#   62 ASN  HB-          62 ASN  HN          4.50    (#    120:15  Unique         2.35, 2.65 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966,
 &end
#
#   61 VAL  HB           62 ASN  HN          4.50    (#    121:15  Unique         2.30, 2.86 A)
 &rst
  ixpk= 121, nxpk= 15, iat= 949, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HA           62 ASN  HN          4.50    (#    122:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HA           62 ASN  HN          4.50    (#    123:15  Unique         3.10, 3.38 A)
 &rst
  ixpk= 123, nxpk= 15, iat=1029, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:124     62 ASN  HN          3.50    (#    124:15  Single Ambig)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 &end
#
#    0 AMB  15-2:133     32 LEU  HN          4.50    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 481,
 &end
#
#   32 LEU  HA           32 LEU  HN          3.50    (#    134:15  Unique         2.91, 2.96 A)
 &rst
  ixpk= 134, nxpk= 15, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LYS  HA           32 LEU  HN          2.50    (#    135:15  Unique         2.27, 2.40 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 483, 503, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:136     32 LEU  HN          2.50    (#    136:15  Single Ambig)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 507, 508, 485, 486,
 &end
#
#   32 LEU  HB-          32 LEU  HN          3.50    (#    137:15  Unique         2.24, 2.63 A)
 &rst
  ixpk= 137, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 507, 508,
 &end
#
#   31 LYS  HG-          32 LEU  HN          4.50    (#    138:15  Unique         3.16, 4.41 A)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 488, 489,
 &end
#
#   73 LEU  MDX          32 LEU  HN          4.50    (#    139:15  Unique         2.36, 4.50 A)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  15-2:140     32 LEU  HN          4.50    (#    140:15  Single Ambig)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1132,1133,1134,1136,1137,1138, 596, 597, 598, 600,
       601, 602,
 &end
#
#    0 AMB  15-2:143     90 ARG  HN          3.50    (#    143:15  Single Ambig)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1392,1393, 221, 222,
 &end
#
#   90 ARG  HB-          90 ARG  HN          3.50    (#    144:15  Unique         2.17, 3.07 A)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1392,1393,
 &end
#
#   74 GLU  HN           75 TYR  HN          3.50    (#    145:15  Unique         2.40, 2.50 A)
 &rst
  ixpk= 145, nxpk= 15, iat=1142,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HD           75 TYR  HN          4.50    (#    146:15  Unique         4.32, 4.69 A)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   75 TYR  HA           75 TYR  HN          3.50    (#    147:15  Unique         2.79, 2.81 A)
 &rst
  ixpk= 147, nxpk= 15, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HB+          75 TYR  HN          2.50    (#    148:15  Unique         2.30, 2.47 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1161,1162,
 &end
#
#   75 TYR  HB-          75 TYR  HN          2.50    (#    149:15  Unique         2.30, 2.47 A)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1161,1162,
 &end
#
#   74 GLU  HB-          75 TYR  HN          3.50    (#    150:15  Unique         2.57, 3.23 A)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1146,1147,
 &end
#
#    0 AMB  15-2:151     75 TYR  HN          4.50    (#    151:15  Single Ambig)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1096,1097,1099,1100,1185,
 &end
#
#    0 AMB  15-2:152     75 TYR  HN          4.50    (#    152:15  Single Ambig)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,1033,1034,1035,1132,1133,1134,1136,1137,
      1138,
 &end
#
#   90 ARG  HA           90 ARG  HN          3.50    (#    154:15  Unique         2.83, 2.90 A)
 &rst
  ixpk= 154, nxpk= 15, iat=1390,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 GLY  QA           90 ARG  HN          2.50    (#    156:15  Unique         2.15, 2.60 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1383,1384,
 &end
#
#   90 ARG  QD           90 ARG  HN          4.50    (#    158:15  Unique         2.00, 3.76 A)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1398,1399,
 &end
#
#   54 LEU  MDY          90 ARG  HN          4.50    (#    159:15  Unique         2.85, 5.44 A)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    8 HIS  HA            9 LEU  HN          3.50    (#    162:15  Unique         2.23, 2.82 A)
 &rst
  ixpk= 162, nxpk= 15, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 HIS  QB            9 LEU  HN          3.50    (#    165:15  Unique         2.40, 3.58 A)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 117, 118,
 &end
#
#    0 AMB  15-2:166      9 LEU  HN          2.50    (#    166:15  Single Ambig)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 137, 134, 135,
 &end
#
#    0 AMB  15-2:168      9 LEU  HN          3.50    (#    168:15  Single Ambig)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
       144, 145,
 &end
#
#    0 AMB  15-2:171     37 VAL  HN          4.50    (#    171:15  Single Ambig)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602,
 &end
#
#    7 HIS  HA            8 HIS  HN          2.50    (#    175:15  Unique         2.15, 2.38 A)
 &rst
  ixpk= 175, nxpk= 15, iat=  98, 113, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    8 HIS  HA            8 HIS  HN          3.50    (#    176:15  Unique         2.21, 2.82 A)
 &rst
  ixpk= 176, nxpk= 15, iat= 115, 113, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 HIS  QB            8 HIS  HN          4.50    (#    177:15  Unique         2.09, 3.41 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    8 HIS  QB            8 HIS  HN          3.50    (#    178:15  Unique         2.28, 3.13 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 117, 118,
 &end
#
#   91 PRO  HA           92 ARG  HN          3.50    (#    183:15  Unique         2.11, 2.82 A)
 &rst
  ixpk= 183, nxpk= 15, iat=1422,1426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:184     92 ARG  HN          5.50    (#    184:15  Single Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 576, 577,1436,1437,
 &end
#
#   91 PRO  HB+          92 ARG  HN          3.50    (#    185:15  Unique         2.36, 3.68 A)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1419,1420,
 &end
#
#    0 AMB  15-2:186     92 ARG  HN          3.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1430,1431,1392,1393,
 &end
#
#    0 AMB  15-2:188      0 AMB  15-1:188    4.50    (#    188:15  Double Ambig)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 856, 857, 858, 860, 861, 862, 882, 883, 884,1328,
      1329,
 igr2=1426,1307,
 &end
#
#   12 TYR  HA           12 TYR  HN          3.50    (#    189:15  Unique         2.21, 2.86 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TYR  HB-          12 TYR  HN          3.50    (#    190:15  Unique         2.27, 3.35 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 176, 177,
 &end
#
#   12 TYR  HD           12 TYR  HN          3.50    (#    194:15  Unique         2.10, 3.78 A)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 180, 189,
 &end
#
#   11 SER  HA           12 TYR  HN          3.50    (#    196:15  Unique         2.10, 2.81 A)
 &rst
  ixpk= 196, nxpk= 15, iat= 163, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  QB           12 TYR  HN          3.50    (#    197:15  Unique         2.02, 3.45 A)
 &rst
  ixpk= 197, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 165, 166,
 &end
#
#    0 AMB  15-2:199     52 ALA  HN          2.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 806,1390,
 &end
#
#   51 HIS  HB-          52 ALA  HN          4.50    (#    200:15  Unique         2.15, 3.29 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#   52 ALA  MB           52 ALA  HN          3.50    (#    201:15  Unique         2.35, 3.04 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 825, 826, 827,
 &end
#
#   84 VAL  HA           85 SER  HN          2.50    (#    203:15  Unique         2.26, 2.35 A)
 &rst
  ixpk= 203, nxpk= 15, iat=1293,1307, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:204     85 SER  HN          3.50    (#    204:15  Single Ambig)
 &rst
  ixpk= 204, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   84 VAL  MGX          85 SER  HN          4.50    (#    205:15  Unique         3.62, 4.51 A)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  15-2:207     15 ARG  HN          3.50    (#    207:15  Single Ambig)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 213, 219,
 &end
#
#   14 PRO  HB+          15 ARG  HN          3.50    (#    208:15  Unique         2.69, 3.67 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 210, 211,
 &end
#
#   15 ARG  HB-          15 ARG  HN          3.50    (#    209:15  Unique         2.27, 3.20 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 221, 222,
 &end
#
#   16 ALA  MB           15 ARG  HN          7.00    (#    210:15  Unique         3.83, 5.70 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 245, 246, 247,
 &end
#
#   10 ASP  HA           10 ASP  HN          3.50    (#    212:15  Unique         2.24, 2.85 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 151, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 LEU  HA           10 ASP  HN          2.50    (#    213:15  Unique         2.13, 2.32 A)
 &rst
  ixpk= 213, nxpk= 15, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   10 ASP  QB           10 ASP  HN          2.50    (#    215:15  Unique         2.23, 2.71 A)
 &rst
  ixpk= 215, nxpk= 15, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 153, 154,
 &end
#
#    0 AMB  15-2:217     10 ASP  HN          4.50    (#    217:15  Single Ambig)
 &rst
  ixpk= 217, nxpk= 15, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 137, 134, 135,
 &end
#
#    0 AMB  15-2:218     10 ASP  HN          3.50    (#    218:15  Single Ambig)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
       144, 145,
 &end
#
#    0 AMB  15-2:225      7 HIS  HN          3.50    (#    225:15  Single Ambig)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  81,  98,
 &end
#
#   23 SER  QB           24 TYR  HN          2.50    (#    226:15  Unique         2.15, 2.86 A)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 351, 352,
 &end
#
#   24 TYR  QB           24 TYR  HN          3.50    (#    228:15  Unique         2.14, 3.25 A)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 362, 363,
 &end
#
#   50 GLY  HN           51 HIS  HN          3.50    (#    229:15  Unique         2.59, 2.77 A)
 &rst
  ixpk= 229, nxpk= 15, iat= 797, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 HIS  HA           51 HIS  HN          3.50    (#    230:15  Unique         2.88, 2.93 A)
 &rst
  ixpk= 230, nxpk= 15, iat= 806, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 HIS  HB+          51 HIS  HN          3.50    (#    231:15  Unique         2.23, 2.96 A)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 808, 809,
 &end
#
#   51 HIS  HB-          51 HIS  HN          3.50    (#    232:15  Unique         2.23, 2.96 A)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 808, 809,
 &end
#
#   39 VAL  HB           51 HIS  HN          3.50    (#    233:15  Unique         2.10, 2.64 A)
 &rst
  ixpk= 233, nxpk= 15, iat= 629, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:234     51 HIS  HN          4.50    (#    234:15  Single Ambig)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621, 787, 788, 789, 791, 792, 793, 787, 788,
       789, 791, 792, 793,
 &end
#
#   39 VAL  MGX          51 HIS  HN          3.50    (#    235:15  Unique         3.53, 4.64 A)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   58 GLY  HN           59 MET  HN          3.50    (#    236:15  Unique         2.45, 2.65 A)
 &rst
  ixpk= 236, nxpk= 15, iat= 909, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 MET  HA           59 MET  HN          3.50    (#    237:15  Unique         2.93, 2.95 A)
 &rst
  ixpk= 237, nxpk= 15, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:238     59 MET  HN          3.50    (#    238:15  Single Ambig)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 924, 923, 924,
 &end
#
#   59 MET  HB+          59 MET  HN          3.50    (#    239:15  Unique         2.36, 3.09 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#   55 ALA  MB           59 MET  HN          4.50    (#    240:15  Unique         2.97, 4.60 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 870, 871, 872,
 &end
#
#   17 GLU  HA           17 GLU  HN          3.50    (#    241:15  Unique         2.20, 2.76 A)
 &rst
  ixpk= 241, nxpk= 15, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 ALA  HA           17 GLU  HN          3.50    (#    242:15  Unique         2.22, 2.70 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 243, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  QG           17 GLU  HN          3.50    (#    243:15  Unique         2.22, 3.48 A)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#   17 GLU  HB+          17 GLU  HN          3.50    (#    244:15  Unique         2.29, 3.31 A)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 255, 256,
 &end
#
#    0 AMB  15-2:245     17 GLU  HN          3.50    (#    245:15  Single Ambig)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 255, 256, 221, 222,
 &end
#
#   90 ARG  HB-          17 GLU  HN          7.00    (#    246:15  Unique         5.03, 7.24 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1392,1393,
 &end
#
#   16 ALA  MB           17 GLU  HN          3.50    (#    247:15  Unique         2.00, 3.50 A)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 245, 246, 247,
 &end
#
#    0 AMB  15-2:250     70 LYS  HN          4.50    (#    250:15  Single Ambig)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,1083,1084,
 &end
#
#   62 ASN  HN           65 TYR  HN          4.50    (#    255:15  Unique         2.84, 3.42 A)
 &rst
  ixpk= 255, nxpk= 15, iat= 961,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ARG  HN           65 TYR  HN          2.50    (#    256:15  Unique         1.79, 2.07 A)
 &rst
  ixpk= 256, nxpk= 15, iat= 982,1006, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   65 TYR  HA           65 TYR  HN          3.50    (#    258:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 258, nxpk= 15, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ARG  HA           65 TYR  HN          3.50    (#    259:15  Unique         3.01, 3.31 A)
 &rst
  ixpk= 259, nxpk= 15, iat= 984,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HA-          65 TYR  HN          4.50    (#    260:15  Unique         3.67, 4.39 A)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 977, 978,
 &end
#
#    0 AMB  15-2:261     65 TYR  HN          3.50    (#    261:15  Single Ambig)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1010,1011, 992, 993,
 &end
#
#   64 ARG  HB+          65 TYR  HN          4.50    (#    262:15  Unique         3.14, 4.36 A)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#    0 AMB  15-2:263     65 TYR  HN          4.50    (#    263:15  Single Ambig)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990, 986, 987,
 &end
#
#   65 TYR  HD           65 TYR  HN          3.50    (#    265:15  Unique         2.77, 3.93 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1014,1023,
 &end
#
#   65 TYR  HB+          65 TYR  HN          3.50    (#    266:15  Unique         2.59, 3.23 A)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   61 VAL  HB           65 TYR  HN          5.50    (#    267:15  Unique         3.56, 3.84 A)
 &rst
  ixpk= 267, nxpk= 15, iat= 949,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:268     65 TYR  HN          4.50    (#    268:15  Single Ambig)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119, 596, 597, 598, 600, 601, 602, 596, 597,
       598, 600, 601, 602,
 &end
#
#   66 THR  HN           70 LYS  HN          3.50    (#    269:15  Unique         2.87, 3.06 A)
 &rst
  ixpk= 269, nxpk= 15, iat=1027,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:270     70 LYS  HN          4.50    (#    270:15  Single Ambig)
 &rst
  ixpk= 270, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1092,1041,
 &end
#
#   69 GLY  HN           70 LYS  HN          2.50    (#    271:15  Unique         2.05, 2.10 A)
 &rst
  ixpk= 271, nxpk= 15, iat=1063,1070, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   70 LYS  HA           70 LYS  HN          3.50    (#    273:15  Unique         2.85, 2.90 A)
 &rst
  ixpk= 273, nxpk= 15, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:274     70 LYS  HN          4.50    (#    274:15  Single Ambig)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1031,1029,
 &end
#
#   69 GLY  HA+          70 LYS  HN          3.50    (#    275:15  Unique         3.21, 3.36 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   69 GLY  HA-          70 LYS  HN          3.50    (#    276:15  Unique         3.21, 3.36 A)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   70 LYS  HB+          70 LYS  HN          3.50    (#    277:15  Unique         2.26, 3.03 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1074,1075,
 &end
#
#   70 LYS  QG           70 LYS  HN          3.50    (#    278:15  Unique         2.06, 2.94 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1077,1078,
 &end
#
#   66 THR  MG2          70 LYS  HN          3.50    (#    279:15  Unique         3.71, 4.37 A)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1033,1034,1035,
 &end
#
#   54 LEU  HN           55 ALA  HN          2.50    (#    286:15  Unique         1.83, 1.98 A)
 &rst
  ixpk= 286, nxpk= 15, iat= 847, 866, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   54 LEU  HB+          55 ALA  HN          4.50    (#    288:15  Unique         2.62, 3.34 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 851, 852,
 &end
#
#   55 ALA  MB           55 ALA  HN          3.50    (#    289:15  Unique         2.93, 3.51 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  15-2:290     55 ALA  HN          3.50    (#    290:15  Single Ambig)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 837, 838, 839, 841, 842, 843, 951, 952, 953, 955,
       956, 957, 951, 952, 953, 955, 956, 957,
 &end
#
#   53 VAL  MGY          55 ALA  HN          3.50    (#    291:15  Unique         2.79, 4.84 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  15-2:292     74 GLU  HN          2.50    (#    292:15  Single Ambig)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1146,1147,1149,1150,
 &end
#
#   38 LEU  HN           31 LYS  HN          3.50    (#    293:15  Unique         2.55, 2.71 A)
 &rst
  ixpk= 293, nxpk= 15, iat= 606, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:294     31 LYS  HN          4.50    (#    294:15  Single Ambig)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 462,
 &end
#
#   30 LEU  HA           31 LYS  HN          2.50    (#    295:15  Unique         2.28, 2.38 A)
 &rst
  ixpk= 295, nxpk= 15, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   31 LYS  HA           31 LYS  HN          3.50    (#    296:15  Unique         2.91, 2.94 A)
 &rst
  ixpk= 296, nxpk= 15, iat= 483, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:297     31 LYS  HN          3.50    (#    297:15  Single Ambig)
 &rst
  ixpk= 297, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 491, 492, 466, 467,
 &end
#
#    0 AMB  15-2:298     31 LYS  HN          3.50    (#    298:15  Single Ambig)
 &rst
  ixpk= 298, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 488, 489, 645, 646, 647,
 &end
#
#   30 LEU  HB-          31 LYS  HN          3.50    (#    299:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 466, 467,
 &end
#
#   77 GLY  HN           78 ASN  HN          3.50    (#    302:15  Unique         2.69, 2.76 A)
 &rst
  ixpk= 302, nxpk= 15, iat=1197,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ASN  HD2+         78 ASN  HN          5.50    (#    303:15  Unique         4.60, 5.28 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1213,1214,
 &end
#
#    0 AMB  15-2:304     78 ASN  HN          4.50    (#    304:15  Single Ambig)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1251,1252,1266,1271,
 &end
#
#   78 ASN  HA           78 ASN  HN          3.50    (#    305:15  Unique         2.74, 2.85 A)
 &rst
  ixpk= 305, nxpk= 15, iat=1206,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 GLY  HA+          78 ASN  HN          3.50    (#    306:15  Unique         2.87, 3.27 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1199,1200,
 &end
#
#   77 GLY  HA-          78 ASN  HN          3.50    (#    307:15  Unique         2.87, 3.27 A)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1199,1200,
 &end
#
#   78 ASN  HB+          78 ASN  HN          2.50    (#    308:15  Unique         2.38, 2.49 A)
 &rst
  ixpk= 308, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1208,1209,
 &end
#
#   78 ASN  HB-          78 ASN  HN          2.50    (#    309:15  Unique         2.38, 2.49 A)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1208,1209,
 &end
#
#    0 AMB  15-2:311     80 ALA  HN          5.50    (#    311:15  Single Ambig)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1256,1264,1273,
 &end
#
#   78 ASN  HD2-         80 ALA  HN          5.50    (#    312:15  Unique         3.40, 4.22 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1213,1214,
 &end
#
#   78 ASN  HA           80 ALA  HN          4.50    (#    313:15  Unique         3.78, 3.86 A)
 &rst
  ixpk= 313, nxpk= 15, iat=1206,1232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ALA  HA           80 ALA  HN          3.50    (#    314:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 314, nxpk= 15, iat=1234,1232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PRO  HD+          80 ALA  HN          3.50    (#    315:15  Unique         2.86, 3.52 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1219,1220,
 &end
#
#    0 AMB  15-2:316     80 ALA  HN          3.50    (#    316:15  Single Ambig)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1219,1220,1228,
 &end
#
#   79 PRO  HG+          80 ALA  HN          3.50    (#    317:15  Unique         2.79, 3.74 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1222,1223,
 &end
#
#   79 PRO  HB+          80 ALA  HN          4.50    (#    318:15  Unique         3.75, 4.22 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1225,1226,
 &end
#
#   80 ALA  MB           80 ALA  HN          2.50    (#    319:15  Unique         2.50, 2.89 A)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1236,1237,1238,
 &end
#
#   79 PRO  HB-          80 ALA  HN          4.50    (#    320:15  Unique         3.75, 4.22 A)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1225,1226,
 &end
#
#   51 HIS  HN           39 VAL  HN          4.50    (#    321:15  Unique         3.05, 3.46 A)
 &rst
  ixpk= 321, nxpk= 15, iat= 804, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LEU  HB+          39 VAL  HN          3.50    (#    322:15  Unique         2.62, 3.37 A)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 610, 611,
 &end
#
#   38 LEU  HA           39 VAL  HN          2.50    (#    324:15  Unique         2.24, 2.29 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 608, 625, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   39 VAL  HA           39 VAL  HN          4.50    (#    325:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 325, nxpk= 15, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HB           39 VAL  HN          3.50    (#    326:15  Unique         2.38, 2.46 A)
 &rst
  ixpk= 326, nxpk= 15, iat= 629, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LEU  HB-          39 VAL  HN          3.50    (#    327:15  Unique         2.62, 3.37 A)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 610, 611,
 &end
#
#   39 VAL  MGX          39 VAL  HN          3.50    (#    328:15  Unique         2.12, 3.80 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   59 MET  HN           56 ILE  HN          3.50    (#    330:15  Unique         2.75, 3.05 A)
 &rst
  ixpk= 330, nxpk= 15, iat= 916, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:332     56 ILE  HN          3.50    (#    332:15  Single Ambig)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 878, 935,
 &end
#
#   56 ILE  HB           56 ILE  HN          3.50    (#    333:15  Unique         2.75, 2.83 A)
 &rst
  ixpk= 333, nxpk= 15, iat= 880, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ALA  MB           56 ILE  HN          2.50    (#    334:15  Unique         2.55, 3.38 A)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  15-2:335     56 ILE  HN          2.50    (#    335:15  Single Ambig)
 &rst
  ixpk= 335, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   81 ASN  HN           82 TYR  HN          3.50    (#    336:15  Unique         2.22, 2.45 A)
 &rst
  ixpk= 336, nxpk= 15, iat=1242,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:337     82 TYR  HN          5.50    (#    337:15  Single Ambig)
 &rst
  ixpk= 337, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1251,1252, 368, 373,
 &end
#
#   81 ASN  HA           82 TYR  HN          3.50    (#    338:15  Unique         2.71, 3.04 A)
 &rst
  ixpk= 338, nxpk= 15, iat=1244,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 TYR  HA           82 TYR  HN          3.50    (#    339:15  Unique         2.83, 2.87 A)
 &rst
  ixpk= 339, nxpk= 15, iat=1258,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PRO  HA           82 TYR  HN          4.50    (#    340:15  Unique         2.82, 3.11 A)
 &rst
  ixpk= 340, nxpk= 15, iat=1228,1256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR  HB-          82 TYR  HN          3.50    (#    341:15  Unique         2.08, 2.86 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1260,1261,
 &end
#
#    0 AMB  15-2:347     95 SER  HN          3.50    (#    347:15  Single Ambig)
 &rst
  ixpk= 347, nxpk= 15, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1485,1471,
 &end
#
#    0 AMB  15-2:348     95 SER  HN          4.50    (#    348:15  Single Ambig)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1473,1428,
 &end
#
#    0 AMB  15-2:349      0 AMB  15-1:349    2.50    (#    349:15  Double Ambig)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1487,1488,  23,  24,
 igr2=1483,  28,
 &end
#
#   72 VAL  HN           73 LEU  HN          3.50    (#    350:15  Unique         2.83, 2.93 A)
 &rst
  ixpk= 350, nxpk= 15, iat=1107,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 GLU  HN           73 LEU  HN          4.50    (#    351:15  Unique         2.35, 2.69 A)
 &rst
  ixpk= 351, nxpk= 15, iat=1142,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 LEU  HA           73 LEU  HN          3.50    (#    352:15  Unique         2.77, 2.87 A)
 &rst
  ixpk= 352, nxpk= 15, iat=1125,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:353     73 LEU  HN          5.50    (#    353:15  Single Ambig)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,1149,1150,
 &end
#
#   73 LEU  HB+          73 LEU  HN          3.50    (#    354:15  Unique         2.35, 3.06 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1127,1128,
 &end
#
#    0 AMB  15-2:355     73 LEU  HN          3.50    (#    355:15  Single Ambig)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1130,1111,
 &end
#
#   73 LEU  HB-          73 LEU  HN          3.50    (#    356:15  Unique         2.35, 3.06 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1127,1128,
 &end
#
#   73 LEU  MDX          73 LEU  HN          4.50    (#    357:15  Unique         1.88, 4.33 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  15-2:358     73 LEU  HN          3.50    (#    358:15  Single Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  15-2:359     95 SER  HN          3.50    (#    359:15  Single Ambig)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1469,1494,
 &end
#
#   40 ALA  HN           41 PHE  HN          2.50    (#    362:15  Unique         1.95, 2.25 A)
 &rst
  ixpk= 362, nxpk= 15, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   30 LEU  HN           41 PHE  HN          5.50    (#    363:15  Unique         4.62, 4.64 A)
 &rst
  ixpk= 363, nxpk= 15, iat= 462, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HA           41 PHE  HN          3.50    (#    365:15  Unique         3.56, 3.57 A)
 &rst
  ixpk= 365, nxpk= 15, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 PHE  HA           41 PHE  HN          3.50    (#    366:15  Unique         2.90, 2.94 A)
 &rst
  ixpk= 366, nxpk= 15, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  HA           41 PHE  HN          4.50    (#    367:15  Unique         3.54, 3.78 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 627, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 PHE  HB+          41 PHE  HN          3.50    (#    368:15  Unique         2.87, 3.23 A)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 655, 656,
 &end
#
#   41 PHE  HB-          41 PHE  HN          3.50    (#    369:15  Unique         2.87, 3.23 A)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 655, 656,
 &end
#
#   29 LEU  HB+          41 PHE  HN          4.50    (#    370:15  Unique         2.17, 3.36 A)
 &rst
  ixpk= 370, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 447, 448,
 &end
#
#   29 LEU  HB-          41 PHE  HN          3.50    (#    371:15  Unique         2.17, 3.36 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 447, 448,
 &end
#
#   40 ALA  MB           41 PHE  HN          3.50    (#    372:15  Unique         2.47, 3.41 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 645, 646, 647,
 &end
#
#    0 AMB  15-2:373     41 PHE  HN          3.50    (#    373:15  Single Ambig)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#    0 AMB  15-2:374     41 PHE  HN          3.50    (#    374:15  Single Ambig)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 631, 632, 633, 635, 636, 637, 471, 472, 473, 475,
       476, 477,
 &end
#
#   60 ASP  HA           61 VAL  HN          2.50    (#    376:15  Unique         2.21, 2.26 A)
 &rst
  ixpk= 376, nxpk= 15, iat= 935, 945, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:377     61 VAL  HN          2.50    (#    377:15  Single Ambig)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   78 ASN  HD2+         81 ASN  HD2-        4.50    (#    380:15  Unique         3.21, 5.29 A)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1213,1214,
 igr2=1251,1252,
 &end
#
#   78 ASN  HB+          81 ASN  HD2-        3.50    (#    382:15  Unique         2.35, 4.57 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1251,1252,
 &end
#
#   81 ASN  HB+          81 ASN  HD2-        4.50    (#    383:15  Unique         2.16, 3.24 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1251,1252,
 &end
#
#    0 AMB  15-2:387     36 ARG  HN          3.50    (#    387:15  Single Ambig)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 512, 513, 514, 516, 517, 518, 615, 616, 617, 619,
       620, 621,
 &end
#
#   33 HIS  HN           36 ARG  HN          3.50    (#    388:15  Unique         2.83, 2.92 A)
 &rst
  ixpk= 388, nxpk= 15, iat= 522, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLU  HN           36 ARG  HN          3.50    (#    389:15  Unique         2.75, 2.90 A)
 &rst
  ixpk= 389, nxpk= 15, iat= 551, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HA           36 ARG  HN          3.50    (#    391:15  Unique         2.95, 2.98 A)
 &rst
  ixpk= 391, nxpk= 15, iat= 568, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:392     36 ARG  HN          3.50    (#    392:15  Single Ambig)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 543, 544, 555, 556, 558, 559,
 &end
#
#    0 AMB  15-2:393     36 ARG  HN          3.50    (#    393:15  Single Ambig)
 &rst
  ixpk= 393, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 570, 571, 986, 987,
 &end
#
#   51 HIS  HN           50 GLY  HN          4.50    (#    394:15  Unique         2.59, 2.77 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 804, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLY  HA+          50 GLY  HN          3.50    (#    395:15  Unique         2.27, 2.61 A)
 &rst
  ixpk= 395, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#   50 GLY  HA-          50 GLY  HN          3.50    (#    396:15  Unique         2.27, 2.61 A)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#   49 VAL  HA           50 GLY  HN          2.50    (#    397:15  Unique         2.13, 2.35 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 783, 797, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   39 VAL  HB           50 GLY  HN          3.50    (#    398:15  Unique         2.32, 2.67 A)
 &rst
  ixpk= 398, nxpk= 15, iat= 629, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:399     50 GLY  HN          3.50    (#    399:15  Single Ambig)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   39 VAL  MGY          50 GLY  HN          3.50    (#    400:15  Unique         3.42, 4.83 A)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   22 PHE  HA           23 SER  HN          3.50    (#    401:15  Unique         2.17, 2.36 A)
 &rst
  ixpk= 401, nxpk= 15, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLU  HA           36 ARG  HN          3.50    (#    403:15  Unique         2.81, 3.02 A)
 &rst
  ixpk= 403, nxpk= 15, iat= 553, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HB+          36 ARG  HN          3.50    (#    404:15  Unique         2.52, 3.17 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 570, 571,
 &end
#
#   10 ASP  HA           11 SER  HN          3.50    (#    406:15  Unique         2.18, 2.92 A)
 &rst
  ixpk= 406, nxpk= 15, iat= 151, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  HA           11 SER  HN          3.50    (#    407:15  Unique         2.21, 2.77 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 163, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  QB           11 SER  HN          3.50    (#    408:15  Unique         2.54, 3.29 A)
 &rst
  ixpk= 408, nxpk= 15, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 165, 166,
 &end
#
#   10 ASP  QB           11 SER  HN          4.50    (#    409:15  Unique         2.58, 3.83 A)
 &rst
  ixpk= 409, nxpk= 15, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 153, 154,
 &end
#
#   84 VAL  MGX          57 ASN  HD2-        4.50    (#    411:15  Unique         1.84, 5.12 A)
 &rst
  ixpk= 411, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:412     42 GLY  HN          3.50    (#    412:15  Single Ambig)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   41 PHE  HA           42 GLY  HN          2.50    (#    413:15  Unique         2.17, 2.36 A)
 &rst
  ixpk= 413, nxpk= 15, iat= 653, 671, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   42 GLY  HA-          42 GLY  HN          3.50    (#    414:15  Unique         2.27, 2.78 A)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 673, 674,
 &end
#
#   57 ASN  HB+          57 ASN  HD2-        3.50    (#    416:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   57 ASN  HB-          57 ASN  HD2-        3.50    (#    417:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   56 ILE  MG2          57 ASN  HD2-        3.50    (#    418:15  Unique         2.19, 4.08 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 882, 883, 884,
 igr2= 904, 905,
 &end
#
#   57 ASN  HB+          57 ASN  HD2+        3.50    (#    420:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   57 ASN  HB-          57 ASN  HD2+        3.50    (#    421:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   84 VAL  MGX          57 ASN  HD2+        4.50    (#    422:15  Unique         1.84, 5.12 A)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2= 904, 905,
 &end
#
#   56 ILE  MG2          57 ASN  HD2+        4.50    (#    423:15  Unique         2.19, 4.08 A)
 &rst
  ixpk= 423, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 882, 883, 884,
 igr2= 904, 905,
 &end
#
#   93 LEU  HN           94 THR  HN          5.50    (#    425:15  Unique         1.97, 3.73 A)
 &rst
  ixpk= 425, nxpk= 15, iat=1450,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:427     94 THR  HN          3.50    (#    427:15  Single Ambig)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1452,1471,
 &end
#
#    0 AMB  15-2:428     94 THR  HN          4.50    (#    428:15  Single Ambig)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1473,1428,
 &end
#
#   93 LEU  QB           94 THR  HN          3.50    (#    429:15  Unique         2.05, 3.35 A)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1454,1455,
 &end
#
#   94 THR  MG2          94 THR  HN          4.50    (#    430:15  Unique         2.53, 3.80 A)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1475,1476,1477,
 &end
#
#   62 ASN  HN           63 GLY  HN          4.50    (#    432:15  Unique         3.48, 3.65 A)
 &rst
  ixpk= 432, nxpk= 15, iat= 961, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HA           63 GLY  HN          2.50    (#    433:15  Unique         2.17, 2.40 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 963, 975, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   63 GLY  HA+          63 GLY  HN          2.50    (#    434:15  Unique         2.24, 2.55 A)
 &rst
  ixpk= 434, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 977, 978,
 &end
#
#    0 AMB  15-2:435     63 GLY  HN          7.00    (#    435:15  Single Ambig)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 984,1043,
 &end
#
#   63 GLY  HA-          63 GLY  HN          3.50    (#    436:15  Unique         2.24, 2.55 A)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 977, 978,
 &end
#
#   62 ASN  HB+          63 GLY  HN          4.50    (#    437:15  Unique         4.45, 4.55 A)
 &rst
  ixpk= 437, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966,
 &end
#
#   62 ASN  HB-          63 GLY  HN          4.50    (#    438:15  Unique         4.45, 4.55 A)
 &rst
  ixpk= 438, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966,
 &end
#
#    0 AMB  15-2:439     63 GLY  HN          3.50    (#    439:15  Single Ambig)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   77 GLY  HN           76 LEU  HN          3.50    (#    442:15  Unique         2.51, 2.53 A)
 &rst
  ixpk= 442, nxpk= 15, iat=1197,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HD           76 LEU  HN          4.50    (#    443:15  Unique         3.19, 4.59 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   76 LEU  HA           76 LEU  HN          3.50    (#    444:15  Unique         2.89, 2.91 A)
 &rst
  ixpk= 444, nxpk= 15, iat=1180,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:445     76 LEU  HN          3.50    (#    445:15  Single Ambig)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1125,1159,
 &end
#
#   75 TYR  HB+          76 LEU  HN          3.50    (#    446:15  Unique         2.36, 3.12 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   75 TYR  HB-          76 LEU  HN          3.50    (#    447:15  Unique         2.36, 3.12 A)
 &rst
  ixpk= 447, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   76 LEU  HG           76 LEU  HN          3.50    (#    448:15  Unique         2.46, 2.53 A)
 &rst
  ixpk= 448, nxpk= 15, iat=1185,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 LEU  HB+          76 LEU  HN          3.50    (#    449:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1182,1183,
 &end
#
#   76 LEU  HB-          76 LEU  HN          3.50    (#    450:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1182,1183,
 &end
#
#    0 AMB  15-2:451     76 LEU  HN          3.50    (#    451:15  Single Ambig)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 &end
#
#    0 AMB  15-2:452     76 LEU  HN          3.50    (#    452:15  Single Ambig)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  15-2:453     81 ASN  HN          3.50    (#    453:15  Single Ambig)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1251,1252,1232,
 &end
#
#   82 TYR  HN           81 ASN  HN          3.50    (#    454:15  Unique         2.22, 2.45 A)
 &rst
  ixpk= 454, nxpk= 15, iat=1256,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HD2-         81 ASN  HN          4.50    (#    455:15  Unique         2.12, 4.73 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1251,1252,
 &end
#
#   81 ASN  HA           81 ASN  HN          3.50    (#    456:15  Unique         2.94, 2.97 A)
 &rst
  ixpk= 456, nxpk= 15, iat=1244,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 ALA  HA           81 ASN  HN          3.50    (#    457:15  Unique         3.41, 3.44 A)
 &rst
  ixpk= 457, nxpk= 15, iat=1234,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HB+          81 ASN  HN          3.50    (#    458:15  Unique         2.46, 3.03 A)
 &rst
  ixpk= 458, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   81 ASN  HB-          81 ASN  HN          3.50    (#    459:15  Unique         2.46, 3.03 A)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   80 ALA  MB           81 ASN  HN          3.50    (#    460:15  Unique         3.22, 3.93 A)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1236,1237,1238,
 &end
#
#   79 PRO  HA           81 ASN  HN          4.50    (#    461:15  Unique         3.16, 3.24 A)
 &rst
  ixpk= 461, nxpk= 15, iat=1228,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 TYR  HE           64 ARG  HE          3.50    (#    462:15  Unique         2.45, 3.87 A)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1016,1021,
 &end
#
#   64 ARG  QD           64 ARG  HE          2.50    (#    471:15  Unique         2.33, 2.81 A)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 992, 993,
 &end
#
#   64 ARG  HB+          64 ARG  HE          4.50    (#    472:15  Unique         2.19, 3.82 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#    0 AMB  15-2:473     64 ARG  HE          3.50    (#    473:15  Single Ambig)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 989, 990, 986, 987,
 &end
#
#    0 AMB  15-2:474     64 ARG  HE          4.50    (#    474:15  Single Ambig)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518,
 &end
#
#   32 LEU  MDX          64 ARG  HE          4.50    (#    475:15  Unique         2.38, 4.36 A)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  15-2:477      0 AMB  15-1:477    5.50    (#    477:15  Double Ambig)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1065,1066,1043,
 igr2= 970, 971, 970, 971,
 &end
#
#   62 ASN  HB+          62 ASN  HD2+        3.50    (#    478:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   62 ASN  HB-          62 ASN  HD2+        3.50    (#    479:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 479, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   62 ASN  HB-          62 ASN  HD2-        4.50    (#    480:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   62 ASN  HB+          62 ASN  HD2-        4.50    (#    482:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   43 GLN  QG           43 GLN  HE2+        2.50    (#    485:15  Unique         2.23, 3.33 A)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 685, 686,
 igr2= 690, 691,
 &end
#
#   43 GLN  QB           43 GLN  HE2+        4.50    (#    486:15  Unique         2.36, 4.17 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 682, 683,
 igr2= 690, 691,
 &end
#
#   43 GLN  QG           43 GLN  HE2-        4.50    (#    491:15  Unique         2.23, 3.33 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 685, 686,
 igr2= 690, 691,
 &end
#
#   78 ASN  HB+          78 ASN  HD2+        3.50    (#    492:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:493      0 AMB  15-1:493    4.50    (#    493:15  Double Ambig)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1251,1252,1232,
 igr2=1213,1214,1213,1214,
 &end
#
#   78 ASN  HB-          78 ASN  HD2+        3.50    (#    495:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#   80 ALA  MB           78 ASN  HD2+        4.50    (#    496:15  Unique         2.05, 3.98 A)
 &rst
  ixpk= 496, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1236,1237,1238,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:497     78 ASN  HD2-        4.50    (#    497:15  Single Ambig)
 &rst
  ixpk= 497, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1251,1252,1232,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:499     78 ASN  HD2-        4.50    (#    499:15  Single Ambig)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1251,1252,1167,1172,
 igr2=1213,1214,
 &end
#
#   78 ASN  HB+          78 ASN  HD2-        4.50    (#    500:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#   78 ASN  HB-          78 ASN  HD2-        3.50    (#    501:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#   80 ALA  MB           78 ASN  HD2-        4.50    (#    502:15  Unique         2.05, 3.98 A)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1236,1237,1238,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:508     66 THR  HN          4.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1006,1051,
 &end
#
#   70 LYS  HN           66 THR  HN          3.50    (#    509:15  Unique         2.87, 3.06 A)
 &rst
  ixpk= 509, nxpk= 15, iat=1070,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HD           66 THR  HN          4.50    (#    510:15  Unique         3.91, 5.09 A)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1014,1023,
 &end
#
#   65 TYR  HA           66 THR  HN          2.50    (#    511:15  Unique         2.32, 2.39 A)
 &rst
  ixpk= 511, nxpk= 15, iat=1008,1027, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:512     66 THR  HN          3.50    (#    512:15  Single Ambig)
 &rst
  ixpk= 512, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1029,1031,1094,
 &end
#
#   65 TYR  HB+          66 THR  HN          3.50    (#    513:15  Unique         2.68, 3.35 A)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   65 TYR  HB-          66 THR  HN          3.50    (#    514:15  Unique         2.68, 3.35 A)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   66 THR  MG2          66 THR  HN          2.50    (#    515:15  Unique         2.34, 3.22 A)
 &rst
  ixpk= 515, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1033,1034,1035,
 &end
#
#   67 ALA  HN           68 ASP  HN          3.50    (#    516:15  Unique         2.62, 2.66 A)
 &rst
  ixpk= 516, nxpk= 15, iat=1041,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 ASP  HA           68 ASP  HN          3.50    (#    519:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 519, nxpk= 15, iat=1053,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HB           68 ASP  HN          3.50    (#    520:15  Unique         2.57, 2.63 A)
 &rst
  ixpk= 520, nxpk= 15, iat=1031,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:521     68 ASP  HN          3.50    (#    521:15  Single Ambig)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1043,1065,1066,
 &end
#
#   68 ASP  HB+          68 ASP  HN          3.50    (#    522:15  Unique         2.40, 2.54 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   68 ASP  HB-          68 ASP  HN          3.50    (#    523:15  Unique         2.40, 2.54 A)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   67 ALA  MB           68 ASP  HN          2.50    (#    524:15  Unique         2.58, 3.40 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1045,1046,1047,
 &end
#
#   66 THR  MG2          68 ASP  HN          4.50    (#    525:15  Unique         4.63, 5.00 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1033,1034,1035,
 &end
#
#    2 GLY  HA-           2 GLY  HN          4.50    (#    528:15  Unique         2.28, 2.78 A)
 &rst
  ixpk= 528, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  23,  24,
 &end
#
#   34 ASP  HN           35 GLU  HN          4.50    (#    530:15  Unique         2.76, 2.90 A)
 &rst
  ixpk= 530, nxpk= 15, iat= 539, 551, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ARG  HN           35 GLU  HN          3.50    (#    531:15  Unique         2.75, 2.90 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 566, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 ASP  HA           35 GLU  HN          3.50    (#    532:15  Unique         2.56, 2.68 A)
 &rst
  ixpk= 532, nxpk= 15, iat= 541, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLU  HA           35 GLU  HN          2.50    (#    533:15  Unique         2.19, 2.23 A)
 &rst
  ixpk= 533, nxpk= 15, iat= 553, 551, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:534     35 GLU  HN          4.50    (#    534:15  Single Ambig)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 543, 544, 526, 527,
 &end
#
#    0 AMB  15-2:535     35 GLU  HN          3.50    (#    535:15  Single Ambig)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#    0 AMB  15-2:536     35 GLU  HN          3.50    (#    536:15  Single Ambig)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#    0 AMB  15-2:537     35 GLU  HN          3.50    (#    537:15  Single Ambig)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 512, 513, 514, 516, 517, 518, 510,
 &end
#
#   76 LEU  HB-          77 GLY  HN          4.50    (#    538:15  Unique         2.70, 3.29 A)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1182,1183,
 &end
#
#    0 AMB  15-2:539     77 GLY  HN          4.50    (#    539:15  Single Ambig)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 &end
#
#   76 LEU  HN           77 GLY  HN          2.50    (#    540:15  Unique         2.51, 2.53 A)
 &rst
  ixpk= 540, nxpk= 15, iat=1178,1197, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   78 ASN  HN           77 GLY  HN          3.50    (#    541:15  Unique         2.69, 2.76 A)
 &rst
  ixpk= 541, nxpk= 15, iat=1204,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:542     77 GLY  HN          5.50    (#    542:15  Single Ambig)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1266,1271,1251,1252, 368, 373,
 &end
#
#   77 GLY  HA+          77 GLY  HN          3.50    (#    543:15  Unique         2.26, 2.55 A)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1199,1200,
 &end
#
#   74 GLU  HA           77 GLY  HN          3.50    (#    544:15  Unique         3.17, 3.36 A)
 &rst
  ixpk= 544, nxpk= 15, iat=1144,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 GLY  HA-          77 GLY  HN          2.50    (#    545:15  Unique         2.26, 2.55 A)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1199,1200,
 &end
#
#   76 LEU  HB+          77 GLY  HN          4.50    (#    546:15  Unique         2.70, 3.29 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1182,1183,
 &end
#
#   70 LYS  HN           69 GLY  HN          2.50    (#    550:15  Unique         2.05, 2.10 A)
 &rst
  ixpk= 550, nxpk= 15, iat=1070,1063, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:551     69 GLY  HN          3.50    (#    551:15  Single Ambig)
 &rst
  ixpk= 551, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1053,1072,
 &end
#
#    0 AMB  15-2:552     69 GLY  HN          4.50    (#    552:15  Single Ambig)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1031,1029,
 &end
#
#   69 GLY  HA+          69 GLY  HN          2.50    (#    553:15  Unique         2.43, 2.73 A)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1065,1066,
 &end
#
#   69 GLY  HA-          69 GLY  HN          3.50    (#    554:15  Unique         2.43, 2.73 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   65 TYR  HB+          69 GLY  HN          4.50    (#    555:15  Unique         3.85, 4.60 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1010,1011,
 &end
#
#    0 AMB  15-2:556     69 GLY  HN          4.50    (#    556:15  Single Ambig)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1055,1056,1010,1011,
 &end
#
#   68 ASP  HB-          69 GLY  HN          4.50    (#    557:15  Unique         2.67, 3.35 A)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1055,1056,
 &end
#
#   67 ALA  MB           69 GLY  HN          4.50    (#    558:15  Unique         4.98, 5.52 A)
 &rst
  ixpk= 558, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045,1046,1047,
 &end
#
#   41 PHE  HN           40 ALA  HN          3.50    (#    559:15  Unique         1.95, 2.25 A)
 &rst
  ixpk= 559, nxpk= 15, iat= 651, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:560     40 ALA  HN          3.50    (#    560:15  Single Ambig)
 &rst
  ixpk= 560, nxpk= 15, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 645, 646, 647, 488, 489,
 &end
#
#   57 ASN  HN           58 GLY  HN          3.50    (#    561:15  Unique         2.86, 2.95 A)
 &rst
  ixpk= 561, nxpk= 15, iat= 895, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 MET  HN           58 GLY  HN          3.50    (#    562:15  Unique         2.45, 2.65 A)
 &rst
  ixpk= 562, nxpk= 15, iat= 916, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASN  HA           58 GLY  HN          3.50    (#    563:15  Unique         2.78, 2.90 A)
 &rst
  ixpk= 563, nxpk= 15, iat= 897, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 GLY  HA+          58 GLY  HN          2.50    (#    564:15  Unique         2.29, 2.64 A)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 911, 912,
 &end
#
#   58 GLY  HA-          58 GLY  HN          3.50    (#    565:15  Unique         2.29, 2.64 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 911, 912,
 &end
#
#   55 ALA  MB           58 GLY  HN          3.50    (#    566:15  Unique         3.18, 4.21 A)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 870, 871, 872,
 &end
#
#   33 HIS  HB+          34 ASP  HN          5.50    (#    567:15  Unique         3.04, 4.04 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 526, 527,
 &end
#
#    0 AMB  15-2:568     34 ASP  HN          7.00    (#    568:15  Single Ambig)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 510,
 &end
#
#   85 SER  HN           57 ASN  HN          4.50    (#    570:15  Unique         2.73, 3.01 A)
 &rst
  ixpk= 570, nxpk= 15, iat=1307, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HN           57 ASN  HN          5.50    (#    571:15  Unique         4.18, 4.23 A)
 &rst
  ixpk= 571, nxpk= 15, iat= 876, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 MET  HN           57 ASN  HN          5.50    (#    572:15  Unique         4.32, 4.46 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 916, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASN  HD2+         57 ASN  HN          5.50    (#    573:15  Unique         3.51, 4.65 A)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 904, 905,
 &end
#
#   58 GLY  HA+          57 ASN  HN          5.50    (#    574:15  Unique         5.17, 5.41 A)
 &rst
  ixpk= 574, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 911, 912,
 &end
#
#   58 GLY  HA-          57 ASN  HN          5.50    (#    575:15  Unique         5.17, 5.41 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 911, 912,
 &end
#
#   57 ASN  HB+          57 ASN  HN          4.50    (#    576:15  Unique         2.75, 3.57 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#   57 ASN  HB-          57 ASN  HN          4.50    (#    577:15  Unique         2.75, 3.57 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#    0 AMB  15-2:578     57 ASN  HN          5.50    (#    578:15  Single Ambig)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 886, 887, 870, 871, 872,
 &end
#
#   56 ILE  HB           57 ASN  HN          4.50    (#    579:15  Unique         3.97, 4.09 A)
 &rst
  ixpk= 579, nxpk= 15, iat= 880, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 VAL  HB           57 ASN  HN          5.50    (#    580:15  Unique         2.88, 3.49 A)
 &rst
  ixpk= 580, nxpk= 15, iat=1295, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HN           72 VAL  HN          5.50    (#    581:15  Unique         4.50, 4.54 A)
 &rst
  ixpk= 581, nxpk= 15, iat=1092,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HG+          72 VAL  HN          5.50    (#    582:15  Unique         2.74, 3.34 A)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#   64 ARG  HB-          72 VAL  HN          5.50    (#    583:15  Unique         3.62, 4.82 A)
 &rst
  ixpk= 583, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 986, 987,
 &end
#
#   67 ALA  MB           60 ASP  HN          5.50    (#    584:15  Unique         3.12, 4.58 A)
 &rst
  ixpk= 584, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1045,1046,1047,
 &end
#
#   59 MET  HB+          60 ASP  HN          5.50    (#    585:15  Unique         3.28, 4.02 A)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#   12 TYR  HE           13 ALA  HN          5.50    (#    591:15  Unique         4.05, 5.67 A)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 187,
 &end
#
#   22 PHE  HD           86 ILE  HN          5.50    (#    592:15  Unique         2.58, 5.13 A)
 &rst
  ixpk= 592, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#   21 THR  HN           86 ILE  HN          5.50    (#    593:15  Unique         4.85, 4.98 A)
 &rst
  ixpk= 593, nxpk= 15, iat= 313,1318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           86 ILE  HN          5.50    (#    595:15  Unique         5.09, 7.32 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#    0 AMB  15-2:598     86 ILE  HN          5.50    (#    598:15  Single Ambig)
 &rst
  ixpk= 598, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 319, 320, 321, 870, 871, 872,
 &end
#
#   86 ILE  MG2          86 ILE  HN          4.50    (#    600:15  Unique         4.44, 4.81 A)
 &rst
  ixpk= 600, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   31 LYS  HN           30 LEU  HN          5.50    (#    601:15  Unique         4.35, 4.42 A)
 &rst
  ixpk= 601, nxpk= 15, iat= 481, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 VAL  HA           30 LEU  HN          5.50    (#    602:15  Unique         4.84, 5.07 A)
 &rst
  ixpk= 602, nxpk= 15, iat= 627, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU  HB+          30 LEU  HN          4.50    (#    603:15  Unique         2.41, 3.74 A)
 &rst
  ixpk= 603, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 447, 448,
 &end
#
#   40 ALA  MB           30 LEU  HN          5.50    (#    604:15  Unique         3.39, 4.30 A)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 645, 646, 647,
 &end
#
#    0 AMB  15-2:605     22 PHE  HN          4.50    (#    605:15  Single Ambig)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 347,1307,
 &end
#
#   22 PHE  HD           22 PHE  HN          5.50    (#    607:15  Unique         2.93, 4.24 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#   22 PHE  HE           22 PHE  HN          7.00    (#    608:15  Unique         5.16, 6.13 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 337, 341,
 &end
#
#   85 SER  HA           22 PHE  HN          5.50    (#    609:15  Unique         3.23, 3.38 A)
 &rst
  ixpk= 609, nxpk= 15, iat=1309, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 THR  HB           22 PHE  HN          5.50    (#    610:15  Unique         2.73, 3.14 A)
 &rst
  ixpk= 610, nxpk= 15, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 PHE  HB+          22 PHE  HN          5.50    (#    611:15  Unique         2.51, 3.28 A)
 &rst
  ixpk= 611, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 331, 332,
 &end
#
#   22 PHE  HB-          22 PHE  HN          4.50    (#    612:15  Unique         2.51, 3.28 A)
 &rst
  ixpk= 612, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 331, 332,
 &end
#
#   84 VAL  MGY          22 PHE  HN          5.50    (#    613:15  Unique         2.96, 5.53 A)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   32 LEU  HN           33 HIS  HN          4.50    (#    615:15  Unique         4.32, 4.46 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:618     16 ALA  HN          7.00    (#    618:15  Single Ambig)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1398,1399, 227, 228,
 &end
#
#   68 ASP  HN           67 ALA  HN          4.50    (#    621:15  Unique         2.62, 2.66 A)
 &rst
  ixpk= 621, nxpk= 15, iat=1051,1041, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 TYR  HE           64 ARG  HN          7.00    (#    624:15  Unique         3.67, 5.64 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1016,1021,
 &end
#
#   64 ARG  HA           64 ARG  HN          3.50    (#    626:15  Unique         2.90, 2.95 A)
 &rst
  ixpk= 626, nxpk= 15, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HA+          64 ARG  HN          3.50    (#    627:15  Unique         2.20, 2.98 A)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 977, 978,
 &end
#
#   92 ARG  HD-          93 LEU  HN          5.50    (#    628:15  Unique         3.74, 5.37 A)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1436,1437,
 &end
#
#   35 GLU  HB+          64 ARG  HN          7.00    (#    629:15  Unique         3.87, 5.89 A)
 &rst
  ixpk= 629, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 555, 556,
 &end
#
#   74 GLU  HN           71 GLU  HN          5.50    (#    631:15  Unique         4.48, 4.71 A)
 &rst
  ixpk= 631, nxpk= 15, iat=1142,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           71 GLU  HN          4.50    (#    632:15  Unique         3.32, 5.76 A)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1014,1023,
 &end
#
#   65 TYR  HE           71 GLU  HN          5.50    (#    633:15  Unique         3.74, 6.63 A)
 &rst
  ixpk= 633, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1016,1021,
 &end
#
#   70 LYS  HN           71 GLU  HN          5.50    (#    634:15  Unique         4.63, 4.67 A)
 &rst
  ixpk= 634, nxpk= 15, iat=1070,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HA           71 GLU  HN          5.50    (#    635:15  Unique         4.57, 4.63 A)
 &rst
  ixpk= 635, nxpk= 15, iat=1008,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 TYR  HB-          71 GLU  HN          5.50    (#    636:15  Unique         4.23, 5.18 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1161,1162,
 &end
#
#    0 AMB  15-2:640     75 TYR  HN          4.50    (#    640:15  Single Ambig)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1197,1251,1252,
 &end
#
#    0 AMB  15-2:641     75 TYR  HN          7.00    (#    641:15  Single Ambig)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1251,1252,1167,1172,
 &end
#
#   73 LEU  HN           75 TYR  HN          5.50    (#    642:15  Unique         3.87, 4.06 A)
 &rst
  ixpk= 642, nxpk= 15, iat=1123,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 VAL  HN           75 TYR  HN          5.50    (#    643:15  Unique         4.65, 4.69 A)
 &rst
  ixpk= 643, nxpk= 15, iat=1107,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 LEU  HA           75 TYR  HN          5.50    (#    644:15  Unique         5.43, 5.47 A)
 &rst
  ixpk= 644, nxpk= 15, iat=1180,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 GLU  HG+          75 TYR  HN          5.50    (#    645:15  Unique         3.85, 4.45 A)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1149,1150,
 &end
#
#   73 LEU  HB-          75 TYR  HN          5.50    (#    646:15  Unique         4.94, 5.39 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1127,1128,
 &end
#
#   17 GLU  QG           90 ARG  HN          5.50    (#    648:15  Unique         3.45, 4.58 A)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 258, 259,
 &end
#
#   16 ALA  MB           90 ARG  HN          5.50    (#    649:15  Unique         3.07, 5.25 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 245, 246, 247,
 &end
#
#   51 HIS  HD2          90 ARG  HN          5.50    (#    654:15  Unique         2.93, 3.75 A)
 &rst
  ixpk= 654, nxpk= 15, iat= 817,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:663     37 VAL  HN          4.50    (#    663:15  Single Ambig)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 570, 571, 986, 987,
 &end
#
#   37 VAL  HB           37 VAL  HN          4.50    (#    664:15  Unique         2.40, 3.02 A)
 &rst
  ixpk= 664, nxpk= 15, iat= 594, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TYR  HE           12 TYR  HN          7.00    (#    666:15  Unique         3.80, 5.37 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 182, 187,
 &end
#
#   85 SER  HB-          85 SER  HN          4.50    (#    672:15  Unique         2.47, 3.15 A)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1311,1312,
 &end
#
#   89 GLY  HN           52 ALA  HN          4.50    (#    673:15  Unique         2.51, 2.91 A)
 &rst
  ixpk= 673, nxpk= 15, iat=1381, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HN           52 ALA  HN          5.50    (#    674:15  Unique         4.45, 4.61 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           52 ALA  HN          5.50    (#    675:15  Unique         3.71, 6.16 A)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#   51 HIS  HD2          52 ALA  HN          5.50    (#    676:15  Unique         3.54, 3.92 A)
 &rst
  ixpk= 676, nxpk= 15, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HA           52 ALA  HN          5.50    (#    677:15  Unique         4.44, 4.85 A)
 &rst
  ixpk= 677, nxpk= 15, iat=1363, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  HA           52 ALA  HN          4.50    (#    678:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 678, nxpk= 15, iat= 823, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HB+          52 ALA  HN          4.50    (#    679:15  Unique         2.15, 3.29 A)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#    0 AMB  15-2:684     52 ALA  HN          4.50    (#    684:15  Single Ambig)
 &rst
  ixpk= 684, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 856, 857, 858, 860, 861, 862, 631, 632, 633, 635,
       636, 637,
 &end
#
#    0 AMB  15-2:685     85 SER  HN          4.50    (#    685:15  Single Ambig)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 &end
#
#    6 HIS  HB-           7 HIS  HN          5.50    (#    688:15  Unique         2.23, 3.60 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  83,  84,
 &end
#
#   24 TYR  HA           24 TYR  HN          4.50    (#    689:15  Unique         2.90, 2.95 A)
 &rst
  ixpk= 689, nxpk= 15, iat= 360, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR  HB-          24 TYR  HN          5.50    (#    690:15  Unique         2.01, 3.54 A)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1260,1261,
 &end
#
#   52 ALA  HN           51 HIS  HN          5.50    (#    691:15  Unique         4.45, 4.61 A)
 &rst
  ixpk= 691, nxpk= 15, iat= 821, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASP  HN           59 MET  HN          5.50    (#    693:15  Unique         4.23, 4.29 A)
 &rst
  ixpk= 693, nxpk= 15, iat= 933, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           51 HIS  HN          7.00    (#    694:15  Unique         4.78, 7.01 A)
 &rst
  ixpk= 694, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1369,1377,
 &end
#
#   51 HIS  HD2          51 HIS  HN          5.50    (#    695:15  Unique         4.30, 5.01 A)
 &rst
  ixpk= 695, nxpk= 15, iat= 817, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 VAL  HA           51 HIS  HN          5.50    (#    696:15  Unique         4.97, 5.44 A)
 &rst
  ixpk= 696, nxpk= 15, iat= 627, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LEU  HG           51 HIS  HN          7.00    (#    697:15  Unique         3.72, 6.10 A)
 &rst
  ixpk= 697, nxpk= 15, iat= 613, 804, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:698     51 HIS  HN          5.50    (#    698:15  Single Ambig)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 610, 611, 825, 826, 827,
 &end
#
#   90 ARG  HN           17 GLU  HN          5.50    (#    699:15  Unique         2.94, 4.68 A)
 &rst
  ixpk= 699, nxpk= 15, iat=1388, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HE           65 TYR  HN          5.50    (#    703:15  Unique         4.82, 5.59 A)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1016,1021,
 &end
#
#   66 THR  HN           65 TYR  HN          4.50    (#    704:15  Unique         4.46, 4.51 A)
 &rst
  ixpk= 704, nxpk= 15, iat=1027,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 TYR  HA           70 LYS  HN          5.50    (#    706:15  Unique         4.78, 4.89 A)
 &rst
  ixpk= 706, nxpk= 15, iat=1008,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           70 LYS  HN          5.50    (#    707:15  Unique         4.54, 6.56 A)
 &rst
  ixpk= 707, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1014,1023,
 &end
#
#    0 AMB  15-2:708     70 LYS  HN          4.50    (#    708:15  Single Ambig)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,1161,1162,
 &end
#
#   75 TYR  HN           74 GLU  HN          5.50    (#    709:15  Unique         2.40, 2.50 A)
 &rst
  ixpk= 709, nxpk= 15, iat=1157,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LEU  HN           74 GLU  HN          5.50    (#    710:15  Unique         2.35, 2.69 A)
 &rst
  ixpk= 710, nxpk= 15, iat=1123,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 ILE  MG2          55 ALA  HN          4.50    (#    711:15  Unique         3.78, 4.59 A)
 &rst
  ixpk= 711, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   74 GLU  HA           74 GLU  HN          4.50    (#    712:15  Unique         2.84, 2.91 A)
 &rst
  ixpk= 712, nxpk= 15, iat=1144,1142, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 LEU  HN           78 ASN  HN          5.50    (#    714:15  Unique         4.07, 4.21 A)
 &rst
  ixpk= 714, nxpk= 15, iat=1178,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HN           31 LYS  HN          4.50    (#    715:15  Unique         3.40, 3.76 A)
 &rst
  ixpk= 715, nxpk= 15, iat= 641, 481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HA           31 LYS  HN          5.50    (#    717:15  Unique         3.85, 4.12 A)
 &rst
  ixpk= 717, nxpk= 15, iat= 627, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 VAL  HA           31 LYS  HN          5.50    (#    718:15  Unique         3.92, 4.13 A)
 &rst
  ixpk= 718, nxpk= 15, iat= 592, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PRO  HD-          78 ASN  HN          5.50    (#    720:15  Unique         4.61, 4.87 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#    0 AMB  15-2:721     78 ASN  HN          5.50    (#    721:15  Single Ambig)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1246,1247,1149,1150,1146,1147,
 &end
#
#   76 LEU  MDX          78 ASN  HN          5.50    (#    722:15  Unique         5.71, 7.51 A)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  MDY          78 ASN  HN          5.50    (#    723:15  Unique         5.71, 7.51 A)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  15-2:724     78 ASN  HN          5.50    (#    724:15  Single Ambig)
 &rst
  ixpk= 724, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1182,1183,1222,1223,
 &end
#
#    0 AMB  15-2:725     78 ASN  HN          7.00    (#    725:15  Single Ambig)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1182,1183,1074,1075,
 &end
#
#   81 ASN  HD2-         80 ALA  HN          7.00    (#    727:15  Unique         4.03, 6.61 A)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1251,1252,
 &end
#
#   78 ASN  HB+          80 ALA  HN          5.50    (#    728:15  Unique         3.95, 4.49 A)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1208,1209,
 &end
#
#   78 ASN  HB-          80 ALA  HN          5.50    (#    729:15  Unique         3.95, 4.49 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1208,1209,
 &end
#
#   81 ASN  HB-          80 ALA  HN          7.00    (#    730:15  Unique         4.51, 5.12 A)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1246,1247,
 &end
#
#   57 ASN  HN           56 ILE  HN          5.50    (#    731:15  Unique         4.18, 4.23 A)
 &rst
  ixpk= 731, nxpk= 15, iat= 895, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 GLY  HN           56 ILE  HN          5.50    (#    732:15  Unique         3.35, 3.61 A)
 &rst
  ixpk= 732, nxpk= 15, iat= 909, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASP  HN           56 ILE  HN          5.50    (#    733:15  Unique         4.76, 4.86 A)
 &rst
  ixpk= 733, nxpk= 15, iat= 933, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:734     56 ILE  HN          4.50    (#    734:15  Single Ambig)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 945, 904, 905,
 &end
#
#   61 VAL  HA           56 ILE  HN          7.00    (#    736:15  Unique         5.08, 5.25 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 947, 876, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 MET  HG+          56 ILE  HN          5.50    (#    737:15  Unique         3.02, 5.37 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 924,
 &end
#
#   59 MET  HB+          56 ILE  HN          5.50    (#    738:15  Unique         3.16, 4.04 A)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#   59 MET  HB-          56 ILE  HN          4.50    (#    739:15  Unique         3.16, 4.04 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   58 GLY  HA-          56 ILE  HN          7.00    (#    741:15  Unique         4.76, 5.36 A)
 &rst
  ixpk= 741, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 911, 912,
 &end
#
#   57 ASN  HB+          56 ILE  HN          7.00    (#    742:15  Unique         5.05, 6.08 A)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 899, 900,
 &end
#
#   24 TYR  HN           82 TYR  HN          7.00    (#    743:15  Unique         5.35, 6.06 A)
 &rst
  ixpk= 743, nxpk= 15, iat= 358,1256, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   81 ASN  HB+          82 TYR  HN          4.50    (#    745:15  Unique         3.90, 4.39 A)
 &rst
  ixpk= 745, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   80 ALA  MB           82 TYR  HN          5.50    (#    747:15  Unique         5.29, 5.68 A)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1236,1237,1238,
 &end
#
#   84 VAL  MGY          82 TYR  HN          7.00    (#    748:15  Unique         4.41, 6.40 A)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   75 TYR  HN           73 LEU  HN          5.50    (#    757:15  Unique         3.87, 4.06 A)
 &rst
  ixpk= 757, nxpk= 15, iat=1157,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HA           73 LEU  HN          5.50    (#    759:15  Unique         4.13, 4.25 A)
 &rst
  ixpk= 759, nxpk= 15, iat=1094,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:760     73 LEU  HN          7.00    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 984,1144,
 &end
#
#   72 VAL  HA           73 LEU  HN          5.50    (#    761:15  Unique         3.56, 3.60 A)
 &rst
  ixpk= 761, nxpk= 15, iat=1109,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HD           41 PHE  HN          5.50    (#    763:15  Unique         3.44, 4.95 A)
 &rst
  ixpk= 763, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 659, 667,
 &end
#
#   62 ASN  HN           61 VAL  HN          5.50    (#    764:15  Unique         4.46, 4.56 A)
 &rst
  ixpk= 764, nxpk= 15, iat= 961, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 ILE  HN           61 VAL  HN          4.50    (#    765:15  Unique         4.17, 4.42 A)
 &rst
  ixpk= 765, nxpk= 15, iat= 876, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HA           61 VAL  HN          7.00    (#    766:15  Unique         5.22, 5.45 A)
 &rst
  ixpk= 766, nxpk= 15, iat= 963, 945, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 LEU  HA           41 PHE  HN          4.50    (#    767:15  Unique         3.79, 4.00 A)
 &rst
  ixpk= 767, nxpk= 15, iat= 464, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HB           41 PHE  HN          5.50    (#    768:15  Unique         4.91, 5.17 A)
 &rst
  ixpk= 768, nxpk= 15, iat= 629, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:769     41 PHE  HN          5.50    (#    769:15  Single Ambig)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 673, 674, 783,
 &end
#
#   55 ALA  MB           61 VAL  HN          4.50    (#    770:15  Unique         3.70, 4.48 A)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 870, 871, 872,
 &end
#
#   61 VAL  HB           61 VAL  HN          4.50    (#    771:15  Unique         3.67, 3.72 A)
 &rst
  ixpk= 771, nxpk= 15, iat= 949, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:772     61 VAL  HN          4.50    (#    772:15  Single Ambig)
 &rst
  ixpk= 772, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 937, 938, 923, 924,
 &end
#
#    0 AMB  15-2:773     81 ASN  HD2-        4.50    (#    773:15  Single Ambig)
 &rst
  ixpk= 773, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1213,1214,1204,
 igr2=1251,1252,
 &end
#
#   75 TYR  HD           81 ASN  HD2-        4.50    (#    774:15  Unique         2.97, 4.10 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1251,1252,
 &end
#
#   78 ASN  HB-          81 ASN  HD2-        4.50    (#    775:15  Unique         2.35, 4.57 A)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1208,1209,
 igr2=1251,1252,
 &end
#
#    0 AMB  15-2:776     81 ASN  HD2-        7.00    (#    776:15  Single Ambig)
 &rst
  ixpk= 776, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1161,1162,1083,1084,
 igr2=1251,1252,
 &end
#
#   34 ASP  HN           36 ARG  HN          5.50    (#    782:15  Unique         4.23, 4.35 A)
 &rst
  ixpk= 782, nxpk= 15, iat= 539, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 LEU  HA           36 ARG  HN          5.50    (#    784:15  Unique         4.23, 4.42 A)
 &rst
  ixpk= 784, nxpk= 15, iat= 505, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:785     36 ARG  HN          5.50    (#    785:15  Single Ambig)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 541, 984,
 &end
#
#   36 ARG  HD-          36 ARG  HN          4.50    (#    786:15  Unique         3.10, 4.60 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 576, 577,
 &end
#
#    0 AMB  15-2:787     36 ARG  HN          4.50    (#    787:15  Single Ambig)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 543, 544, 526, 527,
 &end
#
#    0 AMB  15-2:791     36 ARG  HN          4.50    (#    791:15  Single Ambig)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 555, 556, 558, 559,
 &end
#
#   33 HIS  HA           36 ARG  HN          5.50    (#    792:15  Unique         4.34, 4.50 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 524, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 SER  QB           23 SER  HN          4.50    (#    793:15  Unique         2.76, 3.45 A)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 351, 352,
 &end
#
#   49 VAL  HB           50 GLY  HN          4.50    (#    794:15  Unique         2.10, 2.94 A)
 &rst
  ixpk= 794, nxpk= 15, iat= 785, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 SER  HN           57 ASN  HD2-        5.50    (#    797:15  Unique         3.94, 5.21 A)
 &rst
  ixpk= 797, nxpk= 15, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   85 SER  HN           57 ASN  HD2+        5.50    (#    798:15  Unique         3.94, 5.21 A)
 &rst
  ixpk= 798, nxpk= 15, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   75 TYR  HD           57 ASN  HD2-        5.50    (#    799:15  Unique         4.89, 6.00 A)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2= 904, 905,
 &end
#
#   75 TYR  HD           57 ASN  HD2+        4.50    (#    800:15  Unique         4.89, 6.00 A)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:801     57 ASN  HD2-        5.50    (#    801:15  Single Ambig)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1167,1172,1251,1252,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:802      0 AMB  15-1:802    5.50    (#    802:15  Double Ambig)
 &rst
  ixpk= 802, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1167,1172,1251,1252,
 igr2= 904, 905, 904, 905,
 &end
#
#   84 VAL  HA           57 ASN  HD2-        5.50    (#    803:15  Unique         3.26, 4.98 A)
 &rst
  ixpk= 803, nxpk= 15, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   57 ASN  HA           57 ASN  HD2+        5.50    (#    805:15  Unique         3.90, 4.69 A)
 &rst
  ixpk= 805, nxpk= 15, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   57 ASN  HA           57 ASN  HD2-        4.50    (#    806:15  Unique         3.90, 4.69 A)
 &rst
  ixpk= 806, nxpk= 15, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:807      0 AMB  15-1:807    5.50    (#    807:15  Double Ambig)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1295, 920, 921,
 igr2= 904, 905, 904, 905,
 &end
#
#    0 AMB  15-2:808     57 ASN  HD2-        5.50    (#    808:15  Single Ambig)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1295, 920, 921,
 igr2= 904, 905,
 &end
#
#   84 VAL  MGX          57 ASN  HD2-        3.50    (#    809:15  Unique         1.84, 5.12 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2= 904, 905,
 &end
#
#   65 TYR  HN           63 GLY  HN          5.50    (#    810:15  Unique         4.21, 4.29 A)
 &rst
  ixpk= 810, nxpk= 15, iat=1006, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:811     63 GLY  HN          7.00    (#    811:15  Single Ambig)
 &rst
  ixpk= 811, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 945, 970, 971,
 &end
#
#   62 ASN  HD2-         63 GLY  HN          7.00    (#    814:15  Unique         5.70, 6.27 A)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 970, 971,
 &end
#
#   36 ARG  HA           63 GLY  HN          5.50    (#    816:15  Unique         4.57, 5.26 A)
 &rst
  ixpk= 816, nxpk= 15, iat= 568, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HD-          63 GLY  HN          5.50    (#    819:15  Unique         3.51, 5.21 A)
 &rst
  ixpk= 819, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 576, 577,
 &end
#
#    0 AMB  15-2:820     63 GLY  HN          5.50    (#    820:15  Single Ambig)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 949, 570, 571,
 &end
#
#    0 AMB  15-2:821     63 GLY  HN          7.00    (#    821:15  Single Ambig)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 570, 571, 986, 987,
 &end
#
#    0 AMB  15-2:826     81 ASN  HN          5.50    (#    826:15  Single Ambig)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1213,1214,1204,
 &end
#
#   78 ASN  HN           76 LEU  HN          5.50    (#    827:15  Unique         4.07, 4.21 A)
 &rst
  ixpk= 827, nxpk= 15, iat=1204,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:828     76 LEU  HN          5.50    (#    828:15  Single Ambig)
 &rst
  ixpk= 828, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1251,1252, 368, 373,1167,1172,
 &end
#
#   78 ASN  HA           81 ASN  HN          5.50    (#    830:15  Unique         4.71, 4.81 A)
 &rst
  ixpk= 830, nxpk= 15, iat=1206,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HB+          81 ASN  HN          4.50    (#    831:15  Unique         3.60, 4.44 A)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#   82 TYR  HB-          81 ASN  HN          7.00    (#    832:15  Unique         4.26, 5.09 A)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1260,1261,
 &end
#
#   78 ASN  HB-          81 ASN  HN          4.50    (#    833:15  Unique         3.60, 4.44 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#   79 PRO  HG+          81 ASN  HN          7.00    (#    835:15  Unique         5.09, 5.73 A)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1222,1223,
 &end
#
#   84 VAL  MGY          81 ASN  HN          7.00    (#    836:15  Unique         5.25, 7.24 A)
 &rst
  ixpk= 836, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   79 PRO  HB+          81 ASN  HN          5.50    (#    838:15  Unique         4.95, 5.15 A)
 &rst
  ixpk= 838, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1225,1226,
 &end
#
#    0 AMB  15-2:839     76 LEU  HN          7.00    (#    839:15  Single Ambig)
 &rst
  ixpk= 839, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1127,1128, 880,
 &end
#
#    0 AMB  15-2:842     64 ARG  HE          7.00    (#    842:15  Single Ambig)
 &rst
  ixpk= 842, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 982, 551,
 &end
#
#   64 ARG  HA           64 ARG  HE          7.00    (#    850:15  Unique         4.39, 5.48 A)
 &rst
  ixpk= 850, nxpk= 15, iat= 984, 995, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 GLU  HA           64 ARG  HE          5.50    (#    851:15  Unique         3.01, 4.67 A)
 &rst
  ixpk= 851, nxpk= 15, iat= 553, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HG+          64 ARG  HE          5.50    (#    852:15  Unique         2.80, 5.18 A)
 &rst
  ixpk= 852, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#    0 AMB  15-2:853     64 ARG  HE          5.50    (#    853:15  Single Ambig)
 &rst
  ixpk= 853, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 555, 556,1096,1097, 558, 559,
 &end
#
#    0 AMB  15-2:854     64 ARG  HE          5.50    (#    854:15  Single Ambig)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,1096,1097,
 &end
#
#   62 ASN  HA           62 ASN  HD2+        5.50    (#    856:15  Unique         4.53, 4.68 A)
 &rst
  ixpk= 856, nxpk= 15, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#   62 ASN  HA           62 ASN  HD2-        5.50    (#    857:15  Unique         4.53, 4.68 A)
 &rst
  ixpk= 857, nxpk= 15, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#    0 AMB  15-2:858     62 ASN  HD2-        5.50    (#    858:15  Single Ambig)
 &rst
  ixpk= 858, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1065,1066,1043,
 igr2= 970, 971,
 &end
#
#   66 THR  HA           62 ASN  HD2+        7.00    (#    859:15  Unique         6.71, 7.71 A)
 &rst
  ixpk= 859, nxpk= 15, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 970, 971,
 &end
#
#   66 THR  HA           62 ASN  HD2-        7.00    (#    860:15  Unique         6.71, 7.71 A)
 &rst
  ixpk= 860, nxpk= 15, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 970, 971,
 &end
#
#   65 TYR  HB+          62 ASN  HD2+        5.50    (#    862:15  Unique         2.76, 4.51 A)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1011,
 igr2= 970, 971,
 &end
#
#   62 ASN  HN           62 ASN  HD2+        5.50    (#    867:15  Unique         4.68, 5.29 A)
 &rst
  ixpk= 867, nxpk= 15, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#   63 GLY  HN           62 ASN  HD2+        7.00    (#    868:15  Unique         5.70, 6.27 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 970, 971,
 &end
#
#   43 GLN  QB           43 GLN  HE2-        5.50    (#    869:15  Unique         2.36, 4.17 A)
 &rst
  ixpk= 869, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 682, 683,
 igr2= 690, 691,
 &end
#
#    0 AMB  15-2:870     43 GLN  HE2-        5.50    (#    870:15  Single Ambig)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 690, 691,
 &end
#
#    0 AMB  15-2:871      0 AMB  15-1:871    5.50    (#    871:15  Double Ambig)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 690, 691, 690, 691,
 &end
#
#   66 THR  HN           68 ASP  HN          5.50    (#    877:15  Unique         4.79, 4.83 A)
 &rst
  ixpk= 877, nxpk= 15, iat=1027,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 GLY  HA-          68 ASP  HN          5.50    (#    878:15  Unique         4.77, 5.04 A)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1065,1066,
 &end
#
#   59 MET  HB-          68 ASP  HN          5.50    (#    880:15  Unique         3.39, 4.62 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-2:885     66 THR  HN          4.50    (#    885:15  Single Ambig)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1107, 961,
 &end
#
#    0 AMB  15-2:887     66 THR  HN          5.50    (#    887:15  Single Ambig)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,1016,1021,
 &end
#
#   70 LYS  HA           66 THR  HN          5.50    (#    889:15  Unique         4.50, 4.56 A)
 &rst
  ixpk= 889, nxpk= 15, iat=1072,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL  HA           66 THR  HN          5.50    (#    891:15  Unique         4.98, 5.12 A)
 &rst
  ixpk= 891, nxpk= 15, iat= 947,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 GLY  HA-          66 THR  HN          5.50    (#    892:15  Unique         3.55, 4.28 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1065,1066,
 &end
#
#   72 VAL  HA           66 THR  HN          7.00    (#    893:15  Unique         4.39, 4.53 A)
 &rst
  ixpk= 893, nxpk= 15, iat=1109,1027, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:895     66 THR  HN          4.50    (#    895:15  Single Ambig)
 &rst
  ixpk= 895, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1074,1075, 949,
 &end
#
#    0 AMB  15-2:896     66 THR  HN          5.50    (#    896:15  Single Ambig)
 &rst
  ixpk= 896, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1077,1078, 880,
 &end
#
#   33 HIS  HN           35 GLU  HN          5.50    (#    902:15  Unique         3.96, 4.18 A)
 &rst
  ixpk= 902, nxpk= 15, iat= 522, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 HIS  HA           35 GLU  HN          5.50    (#    903:15  Unique         3.57, 3.79 A)
 &rst
  ixpk= 903, nxpk= 15, iat= 524, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HA           35 GLU  HN          7.00    (#    905:15  Unique         5.45, 5.50 A)
 &rst
  ixpk= 905, nxpk= 15, iat= 568, 551, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 ARG  HB+          35 GLU  HN          7.00    (#    906:15  Unique         4.98, 5.90 A)
 &rst
  ixpk= 906, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-2:907     35 GLU  HN          7.00    (#    907:15  Single Ambig)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 986, 987, 570, 571, 507, 508,
 &end
#
#    0 AMB  15-2:909     77 GLY  HN          4.50    (#    909:15  Single Ambig)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 &end
#
#   78 ASN  HB-          77 GLY  HN          7.00    (#    910:15  Unique         4.82, 4.99 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1208,1209,
 &end
#
#   75 TYR  HB-          77 GLY  HN          5.50    (#    911:15  Unique         4.66, 5.22 A)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1161,1162,
 &end
#
#    0 AMB  15-2:912     77 GLY  HN          5.50    (#    912:15  Single Ambig)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,1149,1150,
 &end
#
#    0 AMB  15-2:913     77 GLY  HN          4.50    (#    913:15  Single Ambig)
 &rst
  ixpk= 913, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1208,1209,1109,
 &end
#
#   78 ASN  HA           77 GLY  HN          7.00    (#    914:15  Unique         5.25, 5.35 A)
 &rst
  ixpk= 914, nxpk= 15, iat=1206,1197, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   66 THR  HN           69 GLY  HN          4.50    (#    919:15  Unique         3.19, 3.23 A)
 &rst
  ixpk= 919, nxpk= 15, iat=1027,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HN           69 GLY  HN          5.50    (#    920:15  Unique         4.07, 4.09 A)
 &rst
  ixpk= 920, nxpk= 15, iat=1041,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           69 GLY  HN          7.00    (#    921:15  Unique         5.40, 6.67 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1014,1023,
 &end
#
#   65 TYR  HA           69 GLY  HN          5.50    (#    923:15  Unique         5.09, 5.24 A)
 &rst
  ixpk= 923, nxpk= 15, iat=1008,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  MG2          69 GLY  HN          4.50    (#    925:15  Unique         4.42, 4.80 A)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1033,1034,1035,
 &end
#
#    0 AMB  15-2:926     69 GLY  HN          7.00    (#    926:15  Single Ambig)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1074,1075, 920, 921,
 &end
#
#   30 LEU  HN           40 ALA  HN          5.50    (#    933:15  Unique         3.78, 4.05 A)
 &rst
  ixpk= 933, nxpk= 15, iat= 462, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HA           40 ALA  HN          5.50    (#    934:15  Unique         1.88, 2.12 A)
 &rst
  ixpk= 934, nxpk= 15, iat= 464, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HA           40 ALA  HN          4.50    (#    935:15  Unique         2.88, 2.95 A)
 &rst
  ixpk= 935, nxpk= 15, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HA           40 ALA  HN          3.50    (#    936:15  Unique         2.10, 2.15 A)
 &rst
  ixpk= 936, nxpk= 15, iat= 627, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:937     40 ALA  HN          5.50    (#    937:15  Single Ambig)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 491, 492, 447, 448, 466, 467,
 &end
#
#    0 AMB  15-2:938     40 ALA  HN          3.50    (#    938:15  Single Ambig)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 &end
#
#   56 ILE  HN           58 GLY  HN          5.50    (#    941:15  Unique         3.35, 3.61 A)
 &rst
  ixpk= 941, nxpk= 15, iat= 876, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 SER  HN           58 GLY  HN          7.00    (#    942:15  Unique         5.04, 5.37 A)
 &rst
  ixpk= 942, nxpk= 15, iat=1307, 909, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85 SER  HB+          58 GLY  HN          5.50    (#    944:15  Unique         3.39, 4.59 A)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1311,1312,
 &end
#
#   57 ASN  HB+          58 GLY  HN          4.50    (#    945:15  Unique         4.21, 4.49 A)
 &rst
  ixpk= 945, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#   85 SER  HB-          58 GLY  HN          5.50    (#    946:15  Unique         3.39, 4.59 A)
 &rst
  ixpk= 946, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1311,1312,
 &end
#
#   59 MET  HB+          58 GLY  HN          5.50    (#    947:15  Unique         4.62, 5.55 A)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-2:948     58 GLY  HN          7.00    (#    948:15  Single Ambig)
 &rst
  ixpk= 948, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 920, 921,1295,
 &end
#
#   59 MET  HG+          58 GLY  HN          7.00    (#    949:15  Unique         4.39, 5.56 A)
 &rst
  ixpk= 949, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 923, 924,
 &end
#
#   57 ASN  HB-          58 GLY  HN          5.50    (#    950:15  Unique         4.21, 4.49 A)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#   56 ILE  MG2          58 GLY  HN          4.50    (#    952:15  Unique         4.92, 5.65 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 882, 883, 884,
 &end
#
#   56 ILE  HB           58 GLY  HN          5.50    (#    953:15  Unique         4.93, 5.16 A)
 &rst
  ixpk= 953, nxpk= 15, iat= 880, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HA           54 LEU  HN          4.50    (#    954:15  Unique         2.38, 2.56 A)
 &rst
  ixpk= 954, nxpk= 15, iat=1363, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LEU  HA           54 LEU  HN          4.50    (#    955:15  Unique         2.98, 2.99 A)
 &rst
  ixpk= 955, nxpk= 15, iat= 849, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 VAL  HB           54 LEU  HN          5.50    (#    956:15  Unique         2.85, 3.96 A)
 &rst
  ixpk= 956, nxpk= 15, iat= 835, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           72 VAL  HN          5.50    (#    957:15  Unique         3.93, 5.35 A)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1014,1023,
 &end
#
#   66 THR  HN           72 VAL  HN          5.50    (#    958:15  Unique         4.05, 4.17 A)
 &rst
  ixpk= 958, nxpk= 15, iat=1027,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HA           39 VAL  HN          5.50    (#    959:15  Unique         4.34, 4.67 A)
 &rst
  ixpk= 959, nxpk= 15, iat= 783, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLY  HA-          39 VAL  HN          5.50    (#    960:15  Unique         3.75, 4.85 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 799, 800,
 &end
#
#   82 TYR  HD           24 TYR  HN          5.50    (#    961:15  Unique         3.03, 4.17 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1264,1273,
 &end
#
#    0 AMB  15-2:968     55 ALA  HN          5.50    (#    968:15  Single Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 849, 878,
 &end
#
#   53 VAL  HA           55 ALA  HN          5.50    (#    969:15  Unique         3.87, 3.98 A)
 &rst
  ixpk= 969, nxpk= 15, iat= 833, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 ASN  QB           96 ASN  HD2+        5.50    (#    970:15  Unique         2.26, 3.43 A)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1498,1499,
 igr2=1503,1504,
 &end
#
#   78 ASN  HA           78 ASN  HD2-        5.50    (#    971:15  Unique         4.41, 4.64 A)
 &rst
  ixpk= 971, nxpk= 15, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1213,1214,
 &end
#
#   36 ARG  HA           37 VAL  HN          5.50    (#    972:15  Unique         2.21, 2.41 A)
 &rst
  ixpk= 972, nxpk= 15, iat= 568, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 SER  HA           85 SER  HN          5.50    (#    974:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 974, nxpk= 15, iat=1309,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:976     59 MET  HN          5.50    (#    976:15  Single Ambig)
 &rst
  ixpk= 976, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 882, 883, 884, 951, 952, 953, 955, 956, 957, 951,
       952, 953, 955, 956, 957, 886, 887,
 &end
#
#   74 GLU  HA           78 ASN  HN          5.50    (#    977:15  Unique         3.87, 4.12 A)
 &rst
  ixpk= 977, nxpk= 15, iat=1144,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLY  HA+          65 TYR  HN          5.50    (#    978:15  Unique         3.67, 4.39 A)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 977, 978,
 &end
#
#   81 ASN  HB-          81 ASN  HD2-        4.50    (#    980:15  Unique         2.16, 3.24 A)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1251,1252,
 &end
#
#   76 LEU  HG           77 GLY  HN          5.50    (#    981:15  Unique         4.51, 4.59 A)
 &rst
  ixpk= 981, nxpk= 15, iat=1185,1197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 LYS  HB-          70 LYS  HN          3.50    (#    982:15  Unique         2.26, 3.03 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1074,1075,
 &end
#
#    0 AMB  15-2:983      0 AMB  15-1:983    3.50    (#    983:15  Double Ambig)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1295, 221, 222, 210, 211,
 igr2=1307, 217,
 &end
#
#   74 GLU  HB+          75 TYR  HN          3.50    (#    984:15  Unique         2.57, 3.23 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1146,1147,
 &end
#
#   32 LEU  MDX          36 ARG  HN          4.50    (#    985:15  Unique         2.45, 5.03 A)
 &rst
  ixpk= 985, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 512, 513, 514, 516, 517, 518,
 &end
#
#   90 ARG  QG           90 ARG  HN          3.50    (#    986:15  Unique         1.99, 3.24 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#   77 GLY  HN           74 GLU  HN          5.50    (#    994:15  Unique         4.40, 4.51 A)
 &rst
  ixpk= 994, nxpk= 15, iat=1197,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
index0000744000372100000240000000022410643060577010705 0ustar  fenggamesstandard_anneal  The input file of Amber/sander
prm1.pdb  The PDB used to generate the atom numbers in restraints file
all.rst   The restraints fileprm1.pdb0000744000372100000240000024203010452206574011221 0ustar  fenggamesREMARK                                                              
ATOM      1  N   MET     1       1.329   0.000   0.000
ATOM      2  H1  MET     1       1.793  -0.589   0.683
ATOM      3  H2  MET     1       1.266   0.947   0.358
ATOM      4  H3  MET     1       0.396  -0.357  -0.177
ATOM      5  CA  MET     1       2.093  -0.001  -1.242
ATOM      6  HA  MET     1       2.162  -1.007  -1.598
ATOM      7  CB  MET     1       1.383   0.844  -2.303
ATOM      8 2HB  MET     1       1.055   1.758  -1.846
ATOM      9 3HB  MET     1       2.084   1.066  -3.085
ATOM     10  CG  MET     1       0.177   0.156  -2.920
ATOM     11 2HG  MET     1       0.194  -0.881  -2.643
ATOM     12 3HG  MET     1      -0.714   0.614  -2.535
ATOM     13  SD  MET     1       0.155   0.273  -4.719
ATOM     14  CE  MET     1      -0.790   1.777  -4.949
ATOM     15 1HE  MET     1      -1.789   1.654  -4.504
ATOM     16 2HE  MET     1      -0.270   2.615  -4.460
ATOM     17 3HE  MET     1      -0.891   1.986  -6.025
ATOM     18  C   MET     1       3.504   0.531  -1.013
ATOM     19  O   MET     1       3.687   1.652  -0.542
ATOM     20  N   GLY     2       4.500  -0.284  -1.349
ATOM     21  H   GLY     2       4.293  -1.196  -1.731
ATOM     22  CA  GLY     2       5.882   0.123  -1.172
ATOM     23 2HA  GLY     2       5.967   1.166  -1.409
ATOM     24 3HA  GLY     2       6.159  -0.035  -0.147
ATOM     25  C   GLY     2       6.834  -0.656  -2.059
ATOM     26  O   GLY     2       6.420  -1.566  -2.778
ATOM     27  N   HIS     3       8.113  -0.298  -2.010
ATOM     28  H   HIS     3       8.390   0.457  -1.399
ATOM     29  CA  HIS     3       9.126  -0.969  -2.816
ATOM     30  HA  HIS     3       9.007  -2.026  -2.701
ATOM     31  CB  HIS     3       8.947  -0.617  -4.293
ATOM     32 2HB  HIS     3       8.291   0.230  -4.363
ATOM     33 3HB  HIS     3       9.906  -0.361  -4.700
ATOM     34  CG  HIS     3       8.369  -1.733  -5.109
ATOM     35  ND1 HIS     3       8.963  -2.973  -5.216
ATOM     36  HD1 HIS     3       9.825  -3.248  -4.767
ATOM     37  CE1 HIS     3       8.228  -3.744  -5.997
ATOM     38  HE1 HIS     3       8.449  -4.771  -6.263
ATOM     39  NE2 HIS     3       7.178  -3.051  -6.399
ATOM     40  CD2 HIS     3       7.243  -1.791  -5.857
ATOM     41  HD2 HIS     3       6.526  -0.991  -6.002
ATOM     42  C   HIS     3      10.529  -0.585  -2.356
ATOM     43  O   HIS     3      10.925   0.578  -2.442
ATOM     44  N   HIS     4      11.276  -1.569  -1.866
ATOM     45  H   HIS     4      10.894  -2.503  -1.821
ATOM     46  CA  HIS     4      12.635  -1.333  -1.391
ATOM     47  HA  HIS     4      12.624  -0.492  -0.729
ATOM     48  CB  HIS     4      13.147  -2.551  -0.622
ATOM     49 2HB  HIS     4      14.145  -2.346  -0.287
ATOM     50 3HB  HIS     4      12.510  -2.708   0.227
ATOM     51  CG  HIS     4      13.170  -3.808  -1.436
ATOM     52  ND1 HIS     4      14.058  -4.019  -2.470
ATOM     53  HD1 HIS     4      14.764  -3.365  -2.775
ATOM     54  CE1 HIS     4      13.841  -5.210  -2.999
ATOM     55  HE1 HIS     4      14.387  -5.645  -3.828
ATOM     56  NE2 HIS     4      12.845  -5.780  -2.344
ATOM     57  CD2 HIS     4      12.409  -4.925  -1.363
ATOM     58  HD2 HIS     4      11.605  -5.110  -0.660
ATOM     59  C   HIS     4      13.571  -1.022  -2.556
ATOM     60  O   HIS     4      13.176  -1.095  -3.720
ATOM     61  N   HIS     5      14.813  -0.674  -2.234
ATOM     62  H   HIS     5      15.076  -0.632  -1.260
ATOM     63  CA  HIS     5      15.804  -0.351  -3.253
ATOM     64  HA  HIS     5      15.544  -0.864  -4.155
ATOM     65  CB  HIS     5      15.810   1.152  -3.532
ATOM     66 2HB  HIS     5      14.852   1.552  -3.259
ATOM     67 3HB  HIS     5      16.572   1.606  -2.928
ATOM     68  CG  HIS     5      16.075   1.495  -4.966
ATOM     69  ND1 HIS     5      16.996   2.443  -5.355
ATOM     70  HD1 HIS     5      17.571   2.989  -4.730
ATOM     71  CE1 HIS     5      17.010   2.526  -6.674
ATOM     72  HE1 HIS     5      17.636   3.188  -7.262
ATOM     73  NE2 HIS     5      16.131   1.665  -7.154
ATOM     74  CD2 HIS     5      15.533   1.008  -6.107
ATOM     75  HD2 HIS     5      14.769   0.242  -6.180
ATOM     76  C   HIS     5      17.195  -0.805  -2.821
ATOM     77  O   HIS     5      17.465  -0.965  -1.630
ATOM     78  N   HIS     6      18.075  -1.012  -3.796
ATOM     79  H   HIS     6      17.792  -0.864  -4.754
ATOM     80  CA  HIS     6      19.438  -1.448  -3.516
ATOM     81  HA  HIS     6      19.830  -0.850  -2.720
ATOM     82  CB  HIS     6      19.447  -2.912  -3.074
ATOM     83 2HB  HIS     6      20.411  -3.136  -2.660
ATOM     84 3HB  HIS     6      18.695  -3.043  -2.320
ATOM     85  CG  HIS     6      19.174  -3.876  -4.188
ATOM     86  ND1 HIS     6      20.114  -4.767  -4.660
ATOM     87  HD1 HIS     6      21.058  -4.859  -4.313
ATOM     88  CE1 HIS     6      19.587  -5.482  -5.638
ATOM     89  HE1 HIS     6      20.093  -6.260  -6.198
ATOM     90  NE2 HIS     6      18.339  -5.088  -5.817
ATOM     91  CD2 HIS     6      18.056  -4.085  -4.922
ATOM     92  HD2 HIS     6      17.113  -3.559  -4.822
ATOM     93  C   HIS     6      20.329  -1.269  -4.742
ATOM     94  O   HIS     6      19.916  -1.550  -5.868
ATOM     95  N   HIS     7      21.551  -0.799  -4.516
ATOM     96  H   HIS     7      21.830  -0.587  -3.569
ATOM     97  CA  HIS     7      22.500  -0.582  -5.603
ATOM     98  HA  HIS     7      22.213  -1.194  -6.433
ATOM     99  CB  HIS     7      22.474   0.881  -6.046
ATOM    100 2HB  HIS     7      23.302   1.050  -6.707
ATOM    101 3HB  HIS     7      21.556   1.060  -6.571
ATOM    102  CG  HIS     7      22.568   1.853  -4.910
ATOM    103  ND1 HIS     7      21.527   2.676  -4.536
ATOM    104  HD1 HIS     7      20.619   2.707  -4.978
ATOM    105  CE1 HIS     7      21.902   3.418  -3.509
ATOM    106  HE1 HIS     7      21.291   4.158  -3.004
ATOM    107  NE2 HIS     7      23.148   3.105  -3.202
ATOM    108  CD2 HIS     7      23.586   2.129  -4.062
ATOM    109  HD2 HIS     7      24.566   1.665  -4.062
ATOM    110  C   HIS     7      23.912  -0.972  -5.177
ATOM    111  O   HIS     7      24.234  -0.977  -3.988
ATOM    112  N   HIS     8      24.751  -1.299  -6.155
ATOM    113  H   HIS     8      24.426  -1.275  -7.111
ATOM    114  CA  HIS     8      26.129  -1.691  -5.881
ATOM    115  HA  HIS     8      26.564  -0.969  -5.221
ATOM    116  CB  HIS     8      26.166  -3.058  -5.198
ATOM    117 2HB  HIS     8      25.167  -3.318  -4.904
ATOM    118 3HB  HIS     8      26.530  -3.780  -5.903
ATOM    119  CG  HIS     8      27.043  -3.097  -3.984
ATOM    120  ND1 HIS     8      28.379  -3.435  -4.031
ATOM    121  HD1 HIS     8      28.889  -3.684  -4.866
ATOM    122  CE1 HIS     8      28.887  -3.383  -2.813
ATOM    123  HE1 HIS     8      29.915  -3.600  -2.545
ATOM    124  NE2 HIS     8      27.930  -3.022  -1.977
ATOM    125  CD2 HIS     8      26.768  -2.837  -2.685
ATOM    126  HD2 HIS     8      25.809  -2.538  -2.279
ATOM    127  C   HIS     8      26.949  -1.729  -7.167
ATOM    128  O   HIS     8      26.402  -1.636  -8.267
ATOM    129  N   LEU     9      28.262  -1.865  -7.022
ATOM    130  H   LEU     9      28.650  -1.936  -6.092
ATOM    131  CA  LEU     9      29.158  -1.914  -8.172
ATOM    132  HA  LEU     9      28.567  -1.928  -9.064
ATOM    133  CB  LEU     9      30.053  -0.674  -8.201
ATOM    134 2HB  LEU     9      30.890  -0.888  -8.838
ATOM    135 3HB  LEU     9      29.482   0.133  -8.619
ATOM    136  CG  LEU     9      30.600  -0.210  -6.850
ATOM    137  HG  LEU     9      29.788  -0.169  -6.154
ATOM    138  CD1 LEU     9      31.632  -1.196  -6.325
ATOM    139 1HD1 LEU     9      31.165  -2.185  -6.201
ATOM    140 2HD1 LEU     9      32.465  -1.271  -7.041
ATOM    141 3HD1 LEU     9      32.013  -0.845  -5.354
ATOM    142  CD2 LEU     9      31.201   1.183  -6.968
ATOM    143 1HD2 LEU     9      32.023   1.167  -7.700
ATOM    144 2HD2 LEU     9      30.426   1.890  -7.302
ATOM    145 3HD2 LEU     9      31.589   1.500  -5.987
ATOM    146  C   LEU     9      30.017  -3.174  -8.140
ATOM    147  O   LEU     9      30.082  -3.867  -7.124
ATOM    148  N   ASP    10      30.676  -3.464  -9.256
ATOM    149  H   ASP    10      30.581  -2.855 -10.056
ATOM    150  CA  ASP    10      31.534  -4.639  -9.355
ATOM    151  HA  ASP    10      31.719  -5.009  -8.368
ATOM    152  CB  ASP    10      30.841  -5.736 -10.164
ATOM    153 2HB  ASP    10      31.580  -6.440 -10.493
ATOM    154 3HB  ASP    10      30.130  -6.233  -9.532
ATOM    155  CG  ASP    10      30.115  -5.190 -11.377
ATOM    156  OD1 ASP    10      28.971  -5.625 -11.630
ATOM    157  OD2 ASP    10      30.689  -4.328 -12.074
ATOM    158  C   ASP    10      32.871  -4.283  -9.998
ATOM    159  O   ASP    10      33.121  -4.614 -11.157
ATOM    160  N   SER    11      33.726  -3.606  -9.238
ATOM    161  H   SER    11      33.462  -3.367  -8.293
ATOM    162  CA  SER    11      35.035  -3.200  -9.735
ATOM    163  HA  SER    11      34.988  -3.130 -10.802
ATOM    164  CB  SER    11      35.415  -1.829  -9.174
ATOM    165 2HB  SER    11      34.798  -1.080  -9.632
ATOM    166 3HB  SER    11      35.252  -1.827  -8.113
ATOM    167  OG  SER    11      36.775  -1.530  -9.434
ATOM    168  HG  SER    11      36.988  -0.666  -9.073
ATOM    169  C   SER    11      36.100  -4.227  -9.362
ATOM    170  O   SER    11      36.323  -4.507  -8.184
ATOM    171  N   TYR    12      36.754  -4.786 -10.375
ATOM    172  H   TYR    12      36.525  -4.513 -11.320
ATOM    173  CA  TYR    12      37.793  -5.784 -10.155
ATOM    174  HA  TYR    12      38.396  -5.470  -9.329
ATOM    175  CB  TYR    12      37.167  -7.137  -9.814
ATOM    176 2HB  TYR    12      36.644  -7.043  -8.882
ATOM    177 3HB  TYR    12      36.472  -7.394 -10.590
ATOM    178  CG  TYR    12      38.175  -8.257  -9.686
ATOM    179  CD1 TYR    12      38.129  -9.359 -10.531
ATOM    180  HD1 TYR    12      37.359  -9.415 -11.292
ATOM    181  CE1 TYR    12      39.047 -10.385 -10.418
ATOM    182  HE1 TYR    12      38.996 -11.238 -11.085
ATOM    183  CZ  TYR    12      40.029 -10.317  -9.452
ATOM    184  OH  TYR    12      40.947 -11.336  -9.336
ATOM    185  HH  TYR    12      41.557 -11.137  -8.622
ATOM    186  CE2 TYR    12      40.096  -9.234  -8.601
ATOM    187  HE2 TYR    12      40.868  -9.184  -7.842
ATOM    188  CD2 TYR    12      39.173  -8.213  -8.721
ATOM    189  HD2 TYR    12      39.229  -7.363  -8.051
ATOM    190  C   TYR    12      38.686  -5.920 -11.384
ATOM    191  O   TYR    12      38.386  -6.684 -12.302
ATOM    192  N   ALA    13      39.786  -5.174 -11.394
ATOM    193  H   ALA    13      39.976  -4.565 -10.611
ATOM    194  CA  ALA    13      40.725  -5.213 -12.508
ATOM    195  HA  ALA    13      40.602  -6.145 -13.019
ATOM    196  CB  ALA    13      40.429  -4.087 -13.487
ATOM    197 1HB  ALA    13      39.405  -4.198 -13.876
ATOM    198 2HB  ALA    13      40.523  -3.119 -12.972
ATOM    199 3HB  ALA    13      41.145  -4.129 -14.322
ATOM    200  C   ALA    13      42.166  -5.122 -12.015
ATOM    201  O   ALA    13      42.863  -4.133 -12.240
ATOM    202  N   PRO    14      42.624  -6.177 -11.326
ATOM    203  CD  PRO    14      41.847  -7.391 -11.020
ATOM    204 2HD  PRO    14      41.382  -7.782 -11.904
ATOM    205 3HD  PRO    14      41.096  -7.190 -10.280
ATOM    206  CG  PRO    14      42.884  -8.343 -10.491
ATOM    207 2HG  PRO    14      43.274  -8.948 -11.286
ATOM    208 3HG  PRO    14      42.459  -8.976  -9.736
ATOM    209  CB  PRO    14      43.962  -7.495  -9.909
ATOM    210 2HB  PRO    14      44.906  -8.003  -9.950
ATOM    211 3HB  PRO    14      43.736  -7.241  -8.891
ATOM    212  CA  PRO    14      43.985  -6.240 -10.786
ATOM    213  HA  PRO    14      44.185  -5.376 -10.188
ATOM    214  C   PRO    14      45.037  -6.376 -11.882
ATOM    215  O   PRO    14      44.725  -6.283 -13.069
ATOM    216  N   ARG    15      46.283  -6.596 -11.476
ATOM    217  H   ARG    15      46.474  -6.663 -10.487
ATOM    218  CA  ARG    15      47.381  -6.743 -12.424
ATOM    219  HA  ARG    15      46.984  -6.690 -13.416
ATOM    220  CB  ARG    15      48.394  -5.612 -12.244
ATOM    221 2HB  ARG    15      49.135  -5.694 -13.016
ATOM    222 3HB  ARG    15      47.878  -4.676 -12.342
ATOM    223  CG  ARG    15      49.099  -5.634 -10.897
ATOM    224 2HG  ARG    15      48.784  -6.503 -10.353
ATOM    225 3HG  ARG    15      50.159  -5.679 -11.059
ATOM    226  CD  ARG    15      48.776  -4.394 -10.078
ATOM    227 2HD  ARG    15      49.081  -3.526 -10.630
ATOM    228 3HD  ARG    15      47.717  -4.357  -9.909
ATOM    229  NE  ARG    15      49.459  -4.396  -8.788
ATOM    230  HE  ARG    15      50.069  -5.172  -8.572
ATOM    231  CZ  ARG    15      49.323  -3.434  -7.882
ATOM    232  NH1 ARG    15      48.532  -2.398  -8.125
ATOM    233 1HH1 ARG    15      48.031  -2.339  -9.000
ATOM    234 2HH1 ARG    15      48.430  -1.668  -7.435
ATOM    235  NH2 ARG    15      49.979  -3.508  -6.731
ATOM    236 1HH2 ARG    15      50.582  -4.296  -6.543
ATOM    237 2HH2 ARG    15      49.875  -2.776  -6.043
ATOM    238  C   ARG    15      48.073  -8.092 -12.249
ATOM    239  O   ARG    15      47.643  -8.922 -11.448
ATOM    240  N   ALA    16      49.145  -8.304 -13.004
ATOM    241  H   ALA    16      49.447  -7.583 -13.644
ATOM    242  CA  ALA    16      49.897  -9.550 -12.932
ATOM    243  HA  ALA    16      50.710  -9.493 -13.626
ATOM    244  CB  ALA    16      50.472  -9.740 -11.536
ATOM    245 1HB  ALA    16      51.144  -8.901 -11.298
ATOM    246 2HB  ALA    16      49.652  -9.773 -10.802
ATOM    247 3HB  ALA    16      51.037 -10.684 -11.497
ATOM    248  C   ALA    16      49.024 -10.741 -13.313
ATOM    249  O   ALA    16      47.806 -10.613 -13.439
ATOM    250  N   GLU    17      49.654 -11.897 -13.496
ATOM    251  H   GLU    17      50.656 -11.936 -13.377
ATOM    252  CA  GLU    17      48.933 -13.110 -13.864
ATOM    253  HA  GLU    17      49.640 -13.904 -13.982
ATOM    254  CB  GLU    17      47.945 -13.497 -12.761
ATOM    255 2HB  GLU    17      47.108 -12.828 -12.806
ATOM    256 3HB  GLU    17      47.611 -14.500 -12.942
ATOM    257  CG  GLU    17      48.537 -13.433 -11.364
ATOM    258 2HG  GLU    17      49.557 -13.763 -11.408
ATOM    259 3HG  GLU    17      48.504 -12.416 -11.023
ATOM    260  CD  GLU    17      47.788 -14.302 -10.372
ATOM    261  OE1 GLU    17      47.160 -13.742  -9.450
ATOM    262  OE2 GLU    17      47.830 -15.541 -10.518
ATOM    263  C   GLU    17      48.190 -12.921 -15.184
ATOM    264  O   GLU    17      47.090 -12.371 -15.216
ATOM    265  N   ALA    18      48.802 -13.382 -16.271
ATOM    266  H   ALA    18      49.706 -13.823 -16.178
ATOM    267  CA  ALA    18      48.199 -13.266 -17.593
ATOM    268  HA  ALA    18      47.743 -12.301 -17.672
ATOM    269  CB  ALA    18      49.267 -13.380 -18.671
ATOM    270 1HB  ALA    18      50.007 -12.575 -18.541
ATOM    271 2HB  ALA    18      49.769 -14.357 -18.589
ATOM    272 3HB  ALA    18      48.798 -13.291 -19.663
ATOM    273  C   ALA    18      47.121 -14.325 -17.800
ATOM    274  O   ALA    18      45.949 -14.000 -17.989
ATOM    275  N   GLU    19      47.526 -15.590 -17.762
ATOM    276  H   GLU    19      48.503 -15.790 -17.601
ATOM    277  CA  GLU    19      46.593 -16.696 -17.947
ATOM    278  HA  GLU    19      47.128 -17.616 -17.835
ATOM    279  CB  GLU    19      45.489 -16.643 -16.889
ATOM    280 2HB  GLU    19      44.802 -15.863 -17.154
ATOM    281 3HB  GLU    19      44.976 -17.585 -16.887
ATOM    282  CG  GLU    19      46.004 -16.373 -15.485
ATOM    283 2HG  GLU    19      46.626 -17.193 -15.184
ATOM    284 3HG  GLU    19      46.584 -15.471 -15.499
ATOM    285  CD  GLU    19      44.886 -16.215 -14.474
ATOM    286  OE1 GLU    19      44.338 -15.097 -14.366
ATOM    287  OE2 GLU    19      44.558 -17.207 -13.791
ATOM    288  C   GLU    19      45.977 -16.660 -19.343
ATOM    289  O   GLU    19      45.112 -15.833 -19.631
ATOM    290  N   LYS    20      46.430 -17.562 -20.207
ATOM    291  H   LYS    20      47.143 -18.213 -19.910
ATOM    292  CA  LYS    20      45.924 -17.636 -21.572
ATOM    293  HA  LYS    20      44.886 -17.375 -21.566
ATOM    294  CB  LYS    20      46.671 -16.645 -22.469
ATOM    295 2HB  LYS    20      47.580 -16.359 -21.976
ATOM    296 3HB  LYS    20      46.905 -17.135 -23.395
ATOM    297  CG  LYS    20      45.877 -15.388 -22.778
ATOM    298 2HG  LYS    20      44.846 -15.652 -22.914
ATOM    299 3HG  LYS    20      45.966 -14.708 -21.953
ATOM    300  CD  LYS    20      46.382 -14.705 -24.038
ATOM    301 2HD  LYS    20      46.580 -13.673 -23.820
ATOM    302 3HD  LYS    20      47.288 -15.184 -24.355
ATOM    303  CE  LYS    20      45.361 -14.785 -25.163
ATOM    304 2HE  LYS    20      44.384 -14.602 -24.759
ATOM    305 3HE  LYS    20      45.591 -14.035 -25.895
ATOM    306  NZ  LYS    20      45.367 -16.120 -25.823
ATOM    307 1HZ  LYS    20      46.285 -16.300 -26.214
ATOM    308 2HZ  LYS    20      45.144 -16.836 -25.140
ATOM    309 3HZ  LYS    20      44.676 -16.134 -26.565
ATOM    310  C   LYS    20      46.067 -19.049 -22.129
ATOM    311  O   LYS    20      46.995 -19.777 -21.775
ATOM    312  N   THR    21      45.142 -19.431 -23.005
ATOM    313  H   THR    21      44.405 -18.787 -23.256
ATOM    314  CA  THR    21      45.166 -20.756 -23.611
ATOM    315  HA  THR    21      45.643 -21.430 -22.931
ATOM    316  CB  THR    21      43.741 -21.272 -23.888
ATOM    317  HB  THR    21      43.257 -20.599 -24.565
ATOM    318  CG2 THR    21      43.779 -22.657 -24.518
ATOM    319 1HG2 THR    21      44.331 -22.612 -25.470
ATOM    320 2HG2 THR    21      44.283 -23.358 -23.834
ATOM    321 3HG2 THR    21      42.751 -23.003 -24.706
ATOM    322  OG1 THR    21      42.991 -21.318 -22.669
ATOM    323 1HG  THR    21      42.105 -21.640 -22.850
ATOM    324  C   THR    21      45.954 -20.751 -24.916
ATOM    325  O   THR    21      45.792 -19.857 -25.747
ATOM    326  N   PHE    22      46.808 -21.753 -25.090
ATOM    327  H   PHE    22      46.895 -22.456 -24.370
ATOM    328  CA  PHE    22      47.623 -21.863 -26.294
ATOM    329  HA  PHE    22      47.291 -21.129 -26.998
ATOM    330  CB  PHE    22      49.094 -21.595 -25.967
ATOM    331 2HB  PHE    22      49.413 -22.305 -25.228
ATOM    332 3HB  PHE    22      49.671 -21.727 -26.862
ATOM    333  CG  PHE    22      49.347 -20.213 -25.438
ATOM    334  CD1 PHE    22      49.914 -19.240 -26.246
ATOM    335  HD1 PHE    22      50.176 -19.481 -27.270
ATOM    336  CE1 PHE    22      50.149 -17.967 -25.763
ATOM    337  HE1 PHE    22      50.592 -17.215 -26.406
ATOM    338  CZ  PHE    22      49.818 -17.654 -24.459
ATOM    339  HZ  PHE    22      50.002 -16.657 -24.077
ATOM    340  CE2 PHE    22      49.252 -18.614 -23.643
ATOM    341  HE2 PHE    22      48.990 -18.370 -22.620
ATOM    342  CD2 PHE    22      49.020 -19.886 -24.132
ATOM    343  HD2 PHE    22      48.577 -20.636 -23.486
ATOM    344  C   PHE    22      47.475 -23.244 -26.927
ATOM    345  O   PHE    22      46.851 -24.137 -26.354
ATOM    346  N   SER    23      48.052 -23.410 -28.113
ATOM    347  H   SER    23      48.552 -22.638 -28.530
ATOM    348  CA  SER    23      47.981 -24.680 -28.827
ATOM    349  HA  SER    23      48.141 -25.474 -28.127
ATOM    350  CB  SER    23      46.598 -24.857 -29.458
ATOM    351 2HB  SER    23      46.378 -24.001 -30.066
ATOM    352 3HB  SER    23      46.602 -25.738 -30.070
ATOM    353  OG  SER    23      45.597 -24.989 -28.464
ATOM    354  HG  SER    23      44.741 -25.098 -28.885
ATOM    355  C   SER    23      49.058 -24.758 -29.904
ATOM    356  O   SER    23      49.129 -23.907 -30.790
ATOM    357  N   TYR    24      49.895 -25.786 -29.820
ATOM    358  H   TYR    24      49.783 -26.452 -29.069
ATOM    359  CA  TYR    24      50.971 -25.977 -30.785
ATOM    360  HA  TYR    24      51.607 -25.117 -30.759
ATOM    361  CB  TYR    24      51.802 -27.207 -30.418
ATOM    362 2HB  TYR    24      51.220 -27.826 -29.762
ATOM    363 3HB  TYR    24      52.022 -27.748 -31.318
ATOM    364  CG  TYR    24      53.107 -26.874 -29.729
ATOM    365  CD1 TYR    24      53.127 -26.104 -28.573
ATOM    366  HD1 TYR    24      52.194 -25.738 -28.160
ATOM    367  CE1 TYR    24      54.316 -25.796 -27.940
ATOM    368  HE1 TYR    24      54.314 -25.193 -27.039
ATOM    369  CZ  TYR    24      55.505 -26.260 -28.462
ATOM    370  OH  TYR    24      56.693 -25.956 -27.835
ATOM    371  HH  TYR    24      57.421 -26.351 -28.320
ATOM    372  CE2 TYR    24      55.512 -27.026 -29.609
ATOM    373  HE2 TYR    24      56.448 -27.389 -30.017
ATOM    374  CD2 TYR    24      54.318 -27.327 -30.235
ATOM    375  HD2 TYR    24      54.327 -27.928 -31.137
ATOM    376  C   TYR    24      50.416 -26.127 -32.198
ATOM    377  O   TYR    24      49.239 -26.426 -32.401
ATOM    378  N   PRO    25      51.283 -25.916 -33.199
ATOM    379  CD  PRO    25      50.961 -26.008 -34.633
ATOM    380 2HD  PRO    25      50.081 -25.440 -34.866
ATOM    381 3HD  PRO    25      50.816 -27.029 -34.929
ATOM    382  CG  PRO    25      52.173 -25.421 -35.301
ATOM    383 2HG  PRO    25      52.034 -24.370 -35.469
ATOM    384 3HG  PRO    25      52.357 -25.912 -36.237
ATOM    385  CB  PRO    25      53.309 -25.649 -34.365
ATOM    386 2HB  PRO    25      54.062 -24.895 -34.493
ATOM    387 3HB  PRO    25      53.742 -26.618 -34.524
ATOM    388  CA  PRO    25      52.686 -25.559 -32.969
ATOM    389  HA  PRO    25      53.145 -26.270 -32.314
ATOM    390  C   PRO    25      52.841 -24.150 -32.407
ATOM    391  O   PRO    25      52.165 -23.218 -32.843
ATOM    392  N   LEU    26      53.737 -24.001 -31.436
ATOM    393  H   LEU    26      54.261 -24.805 -31.122
ATOM    394  CA  LEU    26      53.981 -22.705 -30.814
ATOM    395  HA  LEU    26      53.090 -22.396 -30.309
ATOM    396  CB  LEU    26      55.110 -22.814 -29.788
ATOM    397 2HB  LEU    26      55.137 -23.828 -29.437
ATOM    398 3HB  LEU    26      56.031 -22.584 -30.288
ATOM    399  CG  LEU    26      55.000 -21.900 -28.568
ATOM    400  HG  LEU    26      54.058 -21.394 -28.610
ATOM    401  CD1 LEU    26      55.050 -22.714 -27.284
ATOM    402 1HD1 LEU    26      54.213 -23.430 -27.270
ATOM    403 2HD1 LEU    26      56.003 -23.263 -27.234
ATOM    404 3HD1 LEU    26      54.969 -22.039 -26.418
ATOM    405  CD2 LEU    26      56.106 -20.855 -28.583
ATOM    406 1HD2 LEU    26      57.086 -21.357 -28.566
ATOM    407 2HD2 LEU    26      56.022 -20.245 -29.496
ATOM    408 3HD2 LEU    26      56.011 -20.207 -27.698
ATOM    409  C   LEU    26      54.333 -21.655 -31.863
ATOM    410  O   LEU    26      54.471 -21.967 -33.046
ATOM    411  N   ASP    27      54.477 -20.410 -31.422
ATOM    412  H   ASP    27      54.348 -20.218 -30.439
ATOM    413  CA  ASP    27      54.816 -19.314 -32.322
ATOM    414  HA  ASP    27      55.490 -19.682 -33.067
ATOM    415  CB  ASP    27      53.559 -18.791 -33.019
ATOM    416 2HB  ASP    27      52.763 -19.494 -32.866
ATOM    417 3HB  ASP    27      53.291 -17.847 -32.584
ATOM    418  CG  ASP    27      53.761 -18.600 -34.510
ATOM    419  OD1 ASP    27      54.137 -19.578 -35.188
ATOM    420  OD2 ASP    27      53.542 -17.471 -34.997
ATOM    421  C   ASP    27      55.501 -18.181 -31.565
ATOM    422  O   ASP    27      56.472 -17.595 -32.046
ATOM    423  N   LEU    28      54.989 -17.875 -30.377
ATOM    424  H   LEU    28      54.191 -18.393 -30.037
ATOM    425  CA  LEU    28      55.550 -16.811 -29.553
ATOM    426  HA  LEU    28      55.410 -15.879 -30.059
ATOM    427  CB  LEU    28      54.828 -16.747 -28.206
ATOM    428 2HB  LEU    28      53.891 -17.259 -28.311
ATOM    429 3HB  LEU    28      55.435 -17.258 -27.484
ATOM    430  CG  LEU    28      54.538 -15.346 -27.666
ATOM    431  HG  LEU    28      55.466 -14.823 -27.569
ATOM    432  CD1 LEU    28      53.652 -14.574 -28.631
ATOM    433 1HD1 LEU    28      54.160 -14.484 -29.603
ATOM    434 2HD1 LEU    28      52.699 -15.110 -28.763
ATOM    435 3HD1 LEU    28      53.455 -13.570 -28.225
ATOM    436  CD2 LEU    28      53.888 -15.429 -26.292
ATOM    437 1HD2 LEU    28      52.942 -15.987 -26.367
ATOM    438 2HD2 LEU    28      54.566 -15.948 -25.596
ATOM    439 3HD2 LEU    28      53.687 -14.413 -25.919
ATOM    440  C   LEU    28      57.044 -17.024 -29.332
ATOM    441  O   LEU    28      57.599 -18.054 -29.717
ATOM    442  N   LEU    29      57.690 -16.045 -28.708
ATOM    443  H   LEU    29      57.178 -15.224 -28.417
ATOM    444  CA  LEU    29      59.121 -16.126 -28.433
ATOM    445  HA  LEU    29      59.540 -16.907 -29.033
ATOM    446  CB  LEU    29      59.806 -14.809 -28.800
ATOM    447 2HB  LEU    29      59.181 -14.007 -28.456
ATOM    448 3HB  LEU    29      60.747 -14.774 -28.286
ATOM    449  CG  LEU    29      60.077 -14.585 -30.289
ATOM    450  HG  LEU    29      59.760 -15.456 -30.824
ATOM    451  CD1 LEU    29      59.285 -13.393 -30.802
ATOM    452 1HD1 LEU    29      58.209 -13.578 -30.659
ATOM    453 2HD1 LEU    29      59.579 -12.490 -30.245
ATOM    454 3HD1 LEU    29      59.493 -13.248 -31.873
ATOM    455  CD2 LEU    29      61.565 -14.386 -30.536
ATOM    456 1HD2 LEU    29      61.916 -13.508 -29.973
ATOM    457 2HD2 LEU    29      62.115 -15.280 -30.203
ATOM    458 3HD2 LEU    29      61.740 -14.227 -31.611
ATOM    459  C   LEU    29      59.375 -16.453 -26.965
ATOM    460  O   LEU    29      58.871 -15.773 -26.070
ATOM    461  N   LEU    30      60.162 -17.496 -26.724
ATOM    462  H   LEU    30      60.545 -18.014 -27.502
ATOM    463  CA  LEU    30      60.486 -17.912 -25.364
ATOM    464  HA  LEU    30      60.377 -17.069 -24.715
ATOM    465  CB  LEU    30      59.525 -19.009 -24.903
ATOM    466 2HB  LEU    30      59.006 -19.376 -25.768
ATOM    467 3HB  LEU    30      60.110 -19.800 -24.475
ATOM    468  CG  LEU    30      58.477 -18.591 -23.870
ATOM    469  HG  LEU    30      58.926 -17.888 -23.199
ATOM    470  CD1 LEU    30      57.295 -17.917 -24.551
ATOM    471 1HD1 LEU    30      57.643 -17.022 -25.089
ATOM    472 2HD1 LEU    30      56.834 -18.618 -25.264
ATOM    473 3HD1 LEU    30      56.553 -17.624 -23.792
ATOM    474  CD2 LEU    30      58.014 -19.796 -23.064
ATOM    475 1HD2 LEU    30      57.571 -20.542 -23.741
ATOM    476 2HD2 LEU    30      58.875 -20.240 -22.541
ATOM    477 3HD2 LEU    30      57.261 -19.477 -22.327
ATOM    478  C   LEU    30      61.925 -18.411 -25.276
ATOM    479  O   LEU    30      62.490 -18.888 -26.260
ATOM    480  N   LYS    31      62.512 -18.300 -24.089
ATOM    481  H   LYS    31      61.995 -17.899 -23.320
ATOM    482  CA  LYS    31      63.884 -18.742 -23.869
ATOM    483  HA  LYS    31      64.110 -19.514 -24.575
ATOM    484  CB  LYS    31      64.857 -17.582 -24.087
ATOM    485 2HB  LYS    31      65.853 -17.978 -24.127
ATOM    486 3HB  LYS    31      64.621 -17.112 -25.022
ATOM    487  CG  LYS    31      64.803 -16.529 -22.994
ATOM    488 2HG  LYS    31      65.019 -15.570 -23.423
ATOM    489 3HG  LYS    31      63.817 -16.517 -22.570
ATOM    490  CD  LYS    31      65.810 -16.815 -21.893
ATOM    491 2HD  LYS    31      65.303 -17.277 -21.068
ATOM    492 3HD  LYS    31      66.560 -17.483 -22.271
ATOM    493  CE  LYS    31      66.483 -15.540 -21.408
ATOM    494 2HE  LYS    31      65.962 -14.696 -21.817
ATOM    495 3HE  LYS    31      66.433 -15.507 -20.337
ATOM    496  NZ  LYS    31      67.910 -15.473 -21.825
ATOM    497 1HZ  LYS    31      68.413 -16.264 -21.438
ATOM    498 2HZ  LYS    31      67.968 -15.498 -22.837
ATOM    499 3HZ  LYS    31      68.322 -14.612 -21.484
ATOM    500  C   LYS    31      64.055 -19.306 -22.462
ATOM    501  O   LYS    31      63.513 -18.766 -21.497
ATOM    502  N   LEU    32      64.812 -20.392 -22.353
ATOM    503  H   LEU    32      65.229 -20.787 -23.184
ATOM    504  CA  LEU    32      65.056 -21.028 -21.063
ATOM    505  HA  LEU    32      64.252 -20.778 -20.402
ATOM    506  CB  LEU    32      65.100 -22.548 -21.222
ATOM    507 2HB  LEU    32      64.304 -22.832 -21.883
ATOM    508 3HB  LEU    32      66.043 -22.804 -21.666
ATOM    509  CG  LEU    32      64.952 -23.362 -19.936
ATOM    510  HG  LEU    32      64.469 -22.750 -19.203
ATOM    511  CD1 LEU    32      64.090 -24.591 -20.178
ATOM    512 1HD1 LEU    32      63.091 -24.277 -20.519
ATOM    513 2HD1 LEU    32      64.559 -25.222 -20.948
ATOM    514 3HD1 LEU    32      63.995 -25.163 -19.242
ATOM    515  CD2 LEU    32      66.318 -23.764 -19.399
ATOM    516 1HD2 LEU    32      66.842 -24.375 -20.150
ATOM    517 2HD2 LEU    32      66.908 -22.860 -19.184
ATOM    518 3HD2 LEU    32      66.191 -24.348 -18.474
ATOM    519  C   LEU    32      66.362 -20.531 -20.450
ATOM    520  O   LEU    32      67.396 -20.489 -21.116
ATOM    521  N   HIS    33      66.306 -20.159 -19.175
ATOM    522  H   HIS    33      65.426 -20.218 -18.683
ATOM    523  CA  HIS    33      67.485 -19.668 -18.470
ATOM    524  HA  HIS    33      68.357 -20.027 -18.975
ATOM    525  CB  HIS    33      67.512 -18.139 -18.479
ATOM    526 2HB  HIS    33      67.252 -17.801 -19.463
ATOM    527 3HB  HIS    33      66.785 -17.783 -17.775
ATOM    528  CG  HIS    33      68.845 -17.561 -18.117
ATOM    529  ND1 HIS    33      70.038 -18.071 -18.583
ATOM    530  HD1 HIS    33      70.132 -18.865 -19.200
ATOM    531  CE1 HIS    33      71.039 -17.358 -18.097
ATOM    532  HE1 HIS    33      72.092 -17.528 -18.291
ATOM    533  NE2 HIS    33      70.538 -16.403 -17.334
ATOM    534  CD2 HIS    33      69.169 -16.508 -17.330
ATOM    535  HD2 HIS    33      68.477 -15.867 -16.796
ATOM    536  C   HIS    33      67.512 -20.180 -17.033
ATOM    537  O   HIS    33      66.548 -20.012 -16.286
ATOM    538  N   ASP    34      68.620 -20.806 -16.654
ATOM    539  H   ASP    34      69.376 -20.913 -17.315
ATOM    540  CA  ASP    34      68.773 -21.343 -15.307
ATOM    541  HA  ASP    34      69.667 -21.929 -15.274
ATOM    542  CB  ASP    34      68.899 -20.205 -14.293
ATOM    543 2HB  ASP    34      69.524 -19.439 -14.710
ATOM    544 3HB  ASP    34      67.922 -19.804 -14.102
ATOM    545  CG  ASP    34      69.502 -20.664 -12.980
ATOM    546  OD1 ASP    34      69.630 -19.828 -12.060
ATOM    547  OD2 ASP    34      69.846 -21.860 -12.871
ATOM    548  C   ASP    34      67.592 -22.237 -14.941
ATOM    549  O   ASP    34      67.011 -22.104 -13.865
ATOM    550  N   GLU    35      67.243 -23.147 -15.846
ATOM    551  H   GLU    35      67.761 -23.206 -16.711
ATOM    552  CA  GLU    35      66.130 -24.062 -15.619
ATOM    553  HA  GLU    35      66.014 -24.679 -16.486
ATOM    554  CB  GLU    35      66.418 -24.962 -14.415
ATOM    555 2HB  GLU    35      66.343 -24.370 -13.523
ATOM    556 3HB  GLU    35      65.681 -25.741 -14.390
ATOM    557  CG  GLU    35      67.795 -25.604 -14.451
ATOM    558 2HG  GLU    35      67.906 -26.127 -15.381
ATOM    559 3HG  GLU    35      68.536 -24.831 -14.384
ATOM    560  CD  GLU    35      68.011 -26.584 -13.314
ATOM    561  OE1 GLU    35      67.574 -26.285 -12.183
ATOM    562  OE2 GLU    35      68.618 -27.648 -13.555
ATOM    563  C   GLU    35      64.832 -23.293 -15.393
ATOM    564  O   GLU    35      63.907 -23.790 -14.749
ATOM    565  N   ARG    36      64.770 -22.077 -15.927
ATOM    566  H   ARG    36      65.563 -21.726 -16.445
ATOM    567  CA  ARG    36      63.586 -21.238 -15.783
ATOM    568  HA  ARG    36      62.772 -21.851 -15.456
ATOM    569  CB  ARG    36      63.830 -20.152 -14.734
ATOM    570 2HB  ARG    36      64.831 -20.258 -14.362
ATOM    571 3HB  ARG    36      63.724 -19.194 -15.206
ATOM    572  CG  ARG    36      62.871 -20.216 -13.557
ATOM    573 2HG  ARG    36      62.852 -19.260 -13.070
ATOM    574 3HG  ARG    36      61.889 -20.452 -13.920
ATOM    575  CD  ARG    36      63.294 -21.275 -12.551
ATOM    576 2HD  ARG    36      62.607 -21.263 -11.726
ATOM    577 3HD  ARG    36      63.265 -22.236 -13.027
ATOM    578  NE  ARG    36      64.644 -21.041 -12.044
ATOM    579  HE  ARG    36      65.380 -21.668 -12.338
ATOM    580  CZ  ARG    36      64.956 -20.049 -11.218
ATOM    581  NH1 ARG    36      64.020 -19.205 -10.806
ATOM    582 1HH1 ARG    36      63.067 -19.315 -11.121
ATOM    583 2HH1 ARG    36      64.260 -18.452 -10.177
ATOM    584  NH2 ARG    36      66.207 -19.901 -10.800
ATOM    585 1HH2 ARG    36      66.923 -20.542 -11.111
ATOM    586 2HH2 ARG    36      66.443 -19.147 -10.171
ATOM    587  C   ARG    36      63.208 -20.598 -17.116
ATOM    588  O   ARG    36      63.933 -19.752 -17.638
ATOM    589  N   VAL    37      62.068 -21.010 -17.661
ATOM    590  H   VAL    37      61.518 -21.709 -17.183
ATOM    591  CA  VAL    37      61.593 -20.477 -18.932
ATOM    592  HA  VAL    37      62.408 -20.479 -19.625
ATOM    593  CB  VAL    37      60.458 -21.340 -19.514
ATOM    594  HB  VAL    37      60.054 -20.834 -20.366
ATOM    595  CG1 VAL    37      60.993 -22.689 -19.970
ATOM    596 1HG1 VAL    37      61.759 -22.537 -20.746
ATOM    597 2HG1 VAL    37      61.439 -23.216 -19.112
ATOM    598 3HG1 VAL    37      60.168 -23.291 -20.382
ATOM    599  CG2 VAL    37      59.345 -21.517 -18.491
ATOM    600 1HG2 VAL    37      59.747 -22.012 -17.594
ATOM    601 2HG2 VAL    37      58.940 -20.531 -18.216
ATOM    602 3HG2 VAL    37      58.544 -22.136 -18.924
ATOM    603  C   VAL    37      61.097 -19.043 -18.776
ATOM    604  O   VAL    37      60.162 -18.777 -18.020
ATOM    605  N   LEU    38      61.729 -18.123 -19.496
ATOM    606  H   LEU    38      62.489 -18.405 -20.098
ATOM    607  CA  LEU    38      61.352 -16.715 -19.439
ATOM    608  HA  LEU    38      60.489 -16.619 -18.814
ATOM    609  CB  LEU    38      62.487 -15.887 -18.833
ATOM    610 2HB  LEU    38      63.239 -15.758 -19.588
ATOM    611 3HB  LEU    38      62.086 -14.930 -18.561
ATOM    612  CG  LEU    38      63.163 -16.479 -17.596
ATOM    613  HG  LEU    38      63.349 -17.517 -17.778
ATOM    614  CD1 LEU    38      64.494 -15.792 -17.335
ATOM    615 1HD1 LEU    38      65.155 -15.931 -18.204
ATOM    616 2HD1 LEU    38      64.326 -14.717 -17.170
ATOM    617 3HD1 LEU    38      64.965 -16.231 -16.442
ATOM    618  CD2 LEU    38      62.252 -16.360 -16.383
ATOM    619 1HD2 LEU    38      62.028 -15.299 -16.195
ATOM    620 2HD2 LEU    38      61.314 -16.905 -16.573
ATOM    621 3HD2 LEU    38      62.754 -16.791 -15.503
ATOM    622  C   LEU    38      61.007 -16.187 -20.828
ATOM    623  O   LEU    38      61.211 -16.869 -21.832
ATOM    624  N   VAL    39      60.486 -14.965 -20.878
ATOM    625  H   VAL    39      60.343 -14.455 -20.018
ATOM    626  CA  VAL    39      60.116 -14.343 -22.144
ATOM    627  HA  VAL    39      59.855 -15.116 -22.837
ATOM    628  CB  VAL    39      58.902 -13.409 -21.977
ATOM    629  HB  VAL    39      59.162 -12.643 -21.276
ATOM    630  CG1 VAL    39      58.553 -12.746 -23.300
ATOM    631 1HG1 VAL    39      59.413 -12.155 -23.652
ATOM    632 2HG1 VAL    39      58.309 -13.519 -24.045
ATOM    633 3HG1 VAL    39      57.685 -12.084 -23.161
ATOM    634  CG2 VAL    39      57.711 -14.177 -21.425
ATOM    635 1HG2 VAL    39      57.445 -14.989 -22.119
ATOM    636 2HG2 VAL    39      57.972 -14.603 -20.444
ATOM    637 3HG2 VAL    39      56.854 -13.495 -21.313
ATOM    638  C   VAL    39      61.279 -13.548 -22.726
ATOM    639  O   VAL    39      61.666 -12.511 -22.188
ATOM    640  N   ALA    40      61.832 -14.040 -23.830
ATOM    641  H   ALA    40      61.469 -14.896 -24.223
ATOM    642  CA  ALA    40      62.949 -13.375 -24.487
ATOM    643  HA  ALA    40      63.664 -13.101 -23.740
ATOM    644  CB  ALA    40      63.623 -14.321 -25.470
ATOM    645 1HB  ALA    40      63.998 -15.205 -24.931
ATOM    646 2HB  ALA    40      62.895 -14.638 -26.232
ATOM    647 3HB  ALA    40      64.464 -13.805 -25.958
ATOM    648  C   ALA    40      62.491 -12.107 -25.200
ATOM    649  O   ALA    40      63.277 -11.183 -25.412
ATOM    650  N   PHE    41      61.214 -12.069 -25.567
ATOM    651  H   PHE    41      60.619 -12.859 -25.362
ATOM    652  CA  PHE    41      60.651 -10.915 -26.258
ATOM    653  HA  PHE    41      60.889 -10.034 -25.699
ATOM    654  CB  PHE    41      61.260 -10.783 -27.656
ATOM    655 2HB  PHE    41      62.329 -10.814 -27.565
ATOM    656 3HB  PHE    41      60.927 -11.612 -28.251
ATOM    657  CG  PHE    41      60.880  -9.511 -28.358
ATOM    658  CD1 PHE    41      59.873  -9.505 -29.311
ATOM    659  HD1 PHE    41      59.357 -10.427 -29.551
ATOM    660  CE1 PHE    41      59.520  -8.336 -29.959
ATOM    661  HE1 PHE    41      58.730  -8.344 -30.702
ATOM    662  CZ  PHE    41      60.175  -7.157 -29.659
ATOM    663  HZ  PHE    41      59.902  -6.239 -30.167
ATOM    664  CE2 PHE    41      61.179  -7.150 -28.710
ATOM    665  HE2 PHE    41      61.693  -6.226 -28.471
ATOM    666  CD2 PHE    41      61.528  -8.322 -28.066
ATOM    667  HD2 PHE    41      62.318  -8.311 -27.324
ATOM    668  C   PHE    41      59.133 -11.029 -26.361
ATOM    669  O   PHE    41      58.576 -12.124 -26.291
ATOM    670  N   GLY    42      58.469  -9.889 -26.528
ATOM    671  H   GLY    42      58.977  -9.018 -26.580
ATOM    672  CA  GLY    42      57.022  -9.883 -26.637
ATOM    673 2HA  GLY    42      56.722 -10.688 -27.280
ATOM    674 3HA  GLY    42      56.602 -10.030 -25.661
ATOM    675  C   GLY    42      56.490  -8.582 -27.204
ATOM    676  O   GLY    42      55.530  -8.581 -27.975
ATOM    677  N   GLN    43      57.113  -7.472 -26.821
ATOM    678  H   GLN    43      57.896  -7.540 -26.186
ATOM    679  CA  GLN    43      56.693  -6.159 -27.296
ATOM    680  HA  GLN    43      55.982  -6.294 -28.085
ATOM    681  CB  GLN    43      56.023  -5.375 -26.166
ATOM    682 2HB  GLN    43      56.106  -5.946 -25.261
ATOM    683 3HB  GLN    43      56.539  -4.442 -26.048
ATOM    684  CG  GLN    43      54.553  -5.083 -26.416
ATOM    685 2HG  GLN    43      54.453  -4.058 -26.717
ATOM    686 3HG  GLN    43      54.205  -5.723 -27.204
ATOM    687  CD  GLN    43      53.695  -5.314 -25.188
ATOM    688  OE1 GLN    43      52.940  -4.435 -24.770
ATOM    689  NE2 GLN    43      53.805  -6.500 -24.603
ATOM    690 1HE2 GLN    43      53.257  -6.710 -23.781
ATOM    691 2HE2 GLN    43      54.437  -7.192 -24.980
ATOM    692  C   GLN    43      57.880  -5.373 -27.842
ATOM    693  O   GLN    43      59.028  -5.629 -27.478
ATOM    694  N   ARG    44      57.596  -4.415 -28.718
ATOM    695  H   ARG    44      56.633  -4.253 -28.976
ATOM    696  CA  ARG    44      58.641  -3.592 -29.316
ATOM    697  HA  ARG    44      59.406  -4.236 -29.696
ATOM    698  CB  ARG    44      58.073  -2.773 -30.477
ATOM    699 2HB  ARG    44      57.371  -3.384 -31.011
ATOM    700 3HB  ARG    44      57.567  -1.917 -30.073
ATOM    701  CG  ARG    44      59.131  -2.289 -31.455
ATOM    702 2HG  ARG    44      58.910  -1.277 -31.735
ATOM    703 3HG  ARG    44      60.091  -2.326 -30.977
ATOM    704  CD  ARG    44      59.169  -3.151 -32.707
ATOM    705 2HD  ARG    44      60.042  -2.896 -33.277
ATOM    706 3HD  ARG    44      59.221  -4.182 -32.416
ATOM    707  NE  ARG    44      57.987  -2.956 -33.543
ATOM    708  HE  ARG    44      57.263  -2.335 -33.209
ATOM    709  CZ  ARG    44      57.812  -3.550 -34.717
ATOM    710  NH1 ARG    44      58.736  -4.374 -35.192
ATOM    711 1HH1 ARG    44      59.576  -4.551 -34.660
ATOM    712 2HH1 ARG    44      58.599  -4.825 -36.085
ATOM    713  NH2 ARG    44      56.709  -3.322 -35.420
ATOM    714 1HH2 ARG    44      56.002  -2.696 -35.062
ATOM    715 2HH2 ARG    44      56.577  -3.775 -36.313
ATOM    716  C   ARG    44      59.260  -2.661 -28.278
ATOM    717  O   ARG    44      60.452  -2.750 -27.982
ATOM    718  N   ASP    45      58.444  -1.768 -27.729
ATOM    719  H   ASP    45      57.476  -1.745 -28.015
ATOM    720  CA  ASP    45      58.911  -0.821 -26.724
ATOM    721  HA  ASP    45      59.598  -0.144 -27.188
ATOM    722  CB  ASP    45      57.736  -0.015 -26.167
ATOM    723 2HB  ASP    45      56.998  -0.697 -25.792
ATOM    724 3HB  ASP    45      58.092   0.603 -25.366
ATOM    725  CG  ASP    45      57.092   0.870 -27.215
ATOM    726  OD1 ASP    45      57.714   1.080 -28.278
ATOM    727  OD2 ASP    45      55.967   1.353 -26.973
ATOM    728  C   ASP    45      59.632  -1.543 -25.590
ATOM    729  O   ASP    45      60.645  -1.066 -25.081
ATOM    730  N   GLY    46      59.100  -2.697 -25.197
ATOM    731  H   GLY    46      58.266  -3.042 -25.650
ATOM    732  CA  GLY    46      59.705  -3.466 -24.125
ATOM    733 2HA  GLY    46      59.844  -4.475 -24.461
ATOM    734 3HA  GLY    46      60.658  -3.034 -23.887
ATOM    735  C   GLY    46      58.852  -3.484 -22.872
ATOM    736  O   GLY    46      58.973  -2.605 -22.018
ATOM    737  N   ILE    47      57.986  -4.486 -22.762
ATOM    738  H   ILE    47      57.934  -5.175 -23.498
ATOM    739  CA  ILE    47      57.110  -4.614 -21.604
ATOM    740  HA  ILE    47      57.564  -4.106 -20.779
ATOM    741  CB  ILE    47      55.733  -3.977 -21.868
ATOM    742  HB  ILE    47      55.269  -4.496 -22.680
ATOM    743  CG2 ILE    47      54.844  -4.109 -20.640
ATOM    744 1HG2 ILE    47      54.706  -5.175 -20.400
ATOM    745 2HG2 ILE    47      55.318  -3.599 -19.787
ATOM    746 3HG2 ILE    47      53.865  -3.649 -20.845
ATOM    747  CG1 ILE    47      55.893  -2.507 -22.260
ATOM    748 2HG1 ILE    47      55.007  -1.978 -21.964
ATOM    749 3HG1 ILE    47      56.740  -2.106 -21.737
ATOM    750  CD1 ILE    47      56.103  -2.296 -23.743
ATOM    751 1HD1 ILE    47      57.015  -2.823 -24.063
ATOM    752 2HD1 ILE    47      55.237  -2.692 -24.296
ATOM    753 3HD1 ILE    47      56.210  -1.220 -23.949
ATOM    754  C   ILE    47      56.916  -6.077 -21.221
ATOM    755  O   ILE    47      56.932  -6.427 -20.040
ATOM    756  N   ARG    48      56.734  -6.927 -22.225
ATOM    757  H   ARG    48      56.731  -6.577 -23.172
ATOM    758  CA  ARG    48      56.538  -8.353 -21.993
ATOM    759  HA  ARG    48      55.849  -8.475 -21.184
ATOM    760  CB  ARG    48      55.948  -9.018 -23.239
ATOM    761 2HB  ARG    48      55.649  -8.249 -23.924
ATOM    762 3HB  ARG    48      56.709  -9.624 -23.692
ATOM    763  CG  ARG    48      54.743  -9.897 -22.948
ATOM    764 2HG  ARG    48      54.405 -10.340 -23.865
ATOM    765 3HG  ARG    48      55.033 -10.670 -22.263
ATOM    766  CD  ARG    48      53.604  -9.096 -22.337
ATOM    767 2HD  ARG    48      53.577  -9.282 -21.281
ATOM    768 3HD  ARG    48      53.782  -8.052 -22.511
ATOM    769  NE  ARG    48      52.311  -9.456 -22.912
ATOM    770  HE  ARG    48      52.302 -10.023 -23.748
ATOM    771  CZ  ARG    48      51.146  -9.079 -22.396
ATOM    772  NH1 ARG    48      51.113  -8.334 -21.300
ATOM    773 1HH1 ARG    48      51.975  -8.052 -20.855
ATOM    774 2HH1 ARG    48      50.226  -8.049 -20.910
ATOM    775  NH2 ARG    48      50.012  -9.448 -22.977
ATOM    776 1HH2 ARG    48      50.034 -10.016 -23.812
ATOM    777 2HH2 ARG    48      49.127  -9.161 -22.584
ATOM    778  C   ARG    48      57.853  -9.029 -21.617
ATOM    779  O   ARG    48      57.863 -10.058 -20.940
ATOM    780  N   VAL    49      58.961  -8.445 -22.061
ATOM    781  H   VAL    49      58.886  -7.603 -22.613
ATOM    782  CA  VAL    49      60.282  -8.989 -21.771
ATOM    783  HA  VAL    49      60.369  -9.939 -22.255
ATOM    784  CB  VAL    49      61.398  -8.069 -22.301
ATOM    785  HB  VAL    49      61.327  -7.129 -21.795
ATOM    786  CG1 VAL    49      62.766  -8.666 -22.010
ATOM    787 1HG1 VAL    49      62.890  -8.787 -20.923
ATOM    788 2HG1 VAL    49      62.850  -9.648 -22.501
ATOM    789 3HG1 VAL    49      63.549  -7.995 -22.396
ATOM    790  CG2 VAL    49      61.221  -7.823 -23.792
ATOM    791 1HG2 VAL    49      61.263  -8.783 -24.330
ATOM    792 2HG2 VAL    49      60.246  -7.344 -23.972
ATOM    793 3HG2 VAL    49      62.026  -7.165 -24.153
ATOM    794  C   VAL    49      60.475  -9.193 -20.272
ATOM    795  O   VAL    49      60.142  -8.323 -19.469
ATOM    796  N   GLY    50      61.018 -10.349 -19.903
ATOM    797  H   GLY    50      61.274 -11.028 -20.606
ATOM    798  CA  GLY    50      61.247 -10.646 -18.501
ATOM    799 2HA  GLY    50      62.179 -11.170 -18.408
ATOM    800 3HA  GLY    50      61.301  -9.722 -17.958
ATOM    801  C   GLY    50      60.147 -11.499 -17.901
ATOM    802  O   GLY    50      60.343 -12.143 -16.870
ATOM    803  N   HIS    51      58.985 -11.503 -18.547
ATOM    804  H   HIS    51      58.887 -10.952 -19.388
ATOM    805  CA  HIS    51      57.848 -12.283 -18.071
ATOM    806  HA  HIS    51      57.512 -11.864 -17.146
ATOM    807  CB  HIS    51      56.701 -12.219 -19.079
ATOM    808 2HB  HIS    51      57.115 -12.051 -20.054
ATOM    809 3HB  HIS    51      56.186 -13.160 -19.067
ATOM    810  CG  HIS    51      55.711 -11.133 -18.792
ATOM    811  ND1 HIS    51      56.029  -9.792 -18.841
ATOM    812  HD1 HIS    51      56.938  -9.416 -19.069
ATOM    813  CE1 HIS    51      54.960  -9.076 -18.543
ATOM    814  HE1 HIS    51      54.912  -7.994 -18.503
ATOM    815  NE2 HIS    51      53.959  -9.904 -18.302
ATOM    816  CD2 HIS    51      54.402 -11.195 -18.452
ATOM    817  HD2 HIS    51      53.813 -12.096 -18.322
ATOM    818  C   HIS    51      58.249 -13.735 -17.829
ATOM    819  O   HIS    51      59.140 -14.263 -18.495
ATOM    820  N   ALA    52      57.585 -14.376 -16.872
ATOM    821  H   ALA    52      56.865 -13.887 -16.360
ATOM    822  CA  ALA    52      57.871 -15.767 -16.544
ATOM    823  HA  ALA    52      58.394 -16.206 -17.368
ATOM    824  CB  ALA    52      58.763 -15.846 -15.314
ATOM    825 1HB  ALA    52      59.710 -15.321 -15.513
ATOM    826 2HB  ALA    52      58.254 -15.373 -14.460
ATOM    827 3HB  ALA    52      58.970 -16.901 -15.078
ATOM    828  C   ALA    52      56.584 -16.553 -16.319
ATOM    829  O   ALA    52      55.553 -15.986 -15.958
ATOM    830  N   VAL    53      56.651 -17.863 -16.535
ATOM    831  H   VAL    53      57.527 -18.269 -16.831
ATOM    832  CA  VAL    53      55.491 -18.728 -16.355
ATOM    833  HA  VAL    53      54.625 -18.210 -16.709
ATOM    834  CB  VAL    53      55.637 -20.036 -17.156
ATOM    835  HB  VAL    53      55.819 -19.784 -18.180
ATOM    836  CG1 VAL    53      56.819 -20.846 -16.646
ATOM    837 1HG1 VAL    53      57.742 -20.256 -16.754
ATOM    838 2HG1 VAL    53      56.664 -21.093 -15.584
ATOM    839 3HG1 VAL    53      56.906 -21.775 -17.230
ATOM    840  CG2 VAL    53      54.353 -20.849 -17.085
ATOM    841 1HG2 VAL    53      54.132 -21.095 -16.035
ATOM    842 2HG2 VAL    53      53.523 -20.262 -17.507
ATOM    843 3HG2 VAL    53      54.475 -21.779 -17.662
ATOM    844  C   VAL    53      55.281 -19.067 -14.884
ATOM    845  O   VAL    53      56.221 -19.441 -14.181
ATOM    846  N   LEU    54      54.042 -18.934 -14.423
ATOM    847  H   LEU    54      53.314 -18.623 -15.050
ATOM    848  CA  LEU    54      53.707 -19.226 -13.034
ATOM    849  HA  LEU    54      54.616 -19.367 -12.487
ATOM    850  CB  LEU    54      52.944 -18.054 -12.415
ATOM    851 2HB  LEU    54      52.423 -17.548 -13.205
ATOM    852 3HB  LEU    54      52.234 -18.456 -11.719
ATOM    853  CG  LEU    54      53.790 -17.018 -11.674
ATOM    854  HG  LEU    54      53.135 -16.276 -11.267
ATOM    855  CD1 LEU    54      54.547 -17.670 -10.527
ATOM    856 1HD1 LEU    54      53.830 -18.117  -9.821
ATOM    857 2HD1 LEU    54      55.209 -18.455 -10.924
ATOM    858 3HD1 LEU    54      55.150 -16.910 -10.006
ATOM    859  CD2 LEU    54      54.755 -16.334 -12.631
ATOM    860 1HD2 LEU    54      55.423 -17.086 -13.079
ATOM    861 2HD2 LEU    54      54.186 -15.828 -13.426
ATOM    862 3HD2 LEU    54      55.354 -15.593 -12.080
ATOM    863  C   LEU    54      52.875 -20.501 -12.931
ATOM    864  O   LEU    54      53.134 -21.356 -12.085
ATOM    865  N   ALA    55      51.876 -20.621 -13.799
ATOM    866  H   ALA    55      51.714 -19.882 -14.468
ATOM    867  CA  ALA    55      51.009 -21.792 -13.809
ATOM    868  HA  ALA    55      51.504 -22.581 -13.282
ATOM    869  CB  ALA    55      49.701 -21.487 -13.094
ATOM    870 1HB  ALA    55      49.910 -21.204 -12.051
ATOM    871 2HB  ALA    55      49.189 -20.656 -13.604
ATOM    872 3HB  ALA    55      49.057 -22.380 -13.110
ATOM    873  C   ALA    55      50.738 -22.263 -15.234
ATOM    874  O   ALA    55      50.962 -21.525 -16.194
ATOM    875  N   ILE    56      50.256 -23.494 -15.364
ATOM    876  H   ILE    56      50.094 -24.050 -14.536
ATOM    877  CA  ILE    56      49.955 -24.062 -16.672
ATOM    878  HA  ILE    56      49.761 -23.259 -17.352
ATOM    879  CB  ILE    56      51.139 -24.883 -17.215
ATOM    880  HB  ILE    56      51.241 -25.766 -16.619
ATOM    881  CG2 ILE    56      50.878 -25.300 -18.655
ATOM    882 1HG2 ILE    56      49.965 -25.914 -18.700
ATOM    883 2HG2 ILE    56      50.747 -24.402 -19.279
ATOM    884 3HG2 ILE    56      51.733 -25.885 -19.028
ATOM    885  CG1 ILE    56      52.436 -24.077 -17.115
ATOM    886 2HG1 ILE    56      52.346 -23.210 -17.741
ATOM    887 3HG1 ILE    56      52.567 -23.769 -16.095
ATOM    888  CD1 ILE    56      53.663 -24.851 -17.542
ATOM    889 1HD1 ILE    56      53.778 -25.740 -16.902
ATOM    890 2HD1 ILE    56      53.551 -25.166 -18.591
ATOM    891 3HD1 ILE    56      54.553 -24.211 -17.444
ATOM    892  C   ILE    56      48.718 -24.952 -16.613
ATOM    893  O   ILE    56      48.634 -25.861 -15.788
ATOM    894  N   ASN    57      47.761 -24.685 -17.496
ATOM    895  H   ASN    57      47.891 -23.925 -18.149
ATOM    896  CA  ASN    57      46.528 -25.463 -17.545
ATOM    897  HA  ASN    57      45.871 -25.015 -18.261
ATOM    898  CB  ASN    57      46.823 -26.898 -17.987
ATOM    899 2HB  ASN    57      47.872 -26.985 -18.196
ATOM    900 3HB  ASN    57      46.561 -27.565 -17.189
ATOM    901  CG  ASN    57      46.045 -27.293 -19.227
ATOM    902  OD1 ASN    57      44.817 -27.378 -19.201
ATOM    903  ND2 ASN    57      46.758 -27.538 -20.320
ATOM    904 1HD2 ASN    57      46.294 -27.806 -21.176
ATOM    905 2HD2 ASN    57      47.764 -27.456 -20.295
ATOM    906  C   ASN    57      45.834 -25.470 -16.187
ATOM    907  O   ASN    57      45.097 -26.399 -15.859
ATOM    908  N   GLY    58      46.075 -24.425 -15.400
ATOM    909  H   GLY    58      46.689 -23.690 -15.720
ATOM    910  CA  GLY    58      45.466 -24.330 -14.086
ATOM    911 2HA  GLY    58      45.405 -23.295 -13.809
ATOM    912 3HA  GLY    58      44.478 -24.746 -14.134
ATOM    913  C   GLY    58      46.255 -25.071 -13.025
ATOM    914  O   GLY    58      45.734 -25.375 -11.953
ATOM    915  N   MET    59      47.517 -25.364 -13.326
ATOM    916  H   MET    59      47.887 -25.088 -14.224
ATOM    917  CA  MET    59      48.379 -26.075 -12.389
ATOM    918  HA  MET    59      47.887 -26.119 -11.440
ATOM    919  CB  MET    59      48.628 -27.504 -12.876
ATOM    920 2HB  MET    59      48.841 -27.472 -13.927
ATOM    921 3HB  MET    59      49.477 -27.899 -12.351
ATOM    922  CG  MET    59      47.448 -28.436 -12.652
ATOM    923 2HG  MET    59      46.949 -28.147 -11.747
ATOM    924 3HG  MET    59      46.772 -28.339 -13.480
ATOM    925  SD  MET    59      47.945 -30.163 -12.511
ATOM    926  CE  MET    59      48.051 -30.628 -14.237
ATOM    927 1HE  MET    59      47.069 -30.490 -14.715
ATOM    928 2HE  MET    59      48.797 -29.995 -14.742
ATOM    929 3HE  MET    59      48.352 -31.684 -14.315
ATOM    930  C   MET    59      49.708 -25.347 -12.214
ATOM    931  O   MET    59      50.460 -25.168 -13.172
ATOM    932  N   ASP    60      49.990 -24.928 -10.985
ATOM    933  H   ASP    60      49.331 -25.105 -10.241
ATOM    934  CA  ASP    60      51.229 -24.219 -10.685
ATOM    935  HA  ASP    60      51.212 -23.275 -11.189
ATOM    936  CB  ASP    60      51.344 -23.966  -9.181
ATOM    937 2HB  ASP    60      51.971 -23.110  -9.023
ATOM    938 3HB  ASP    60      50.365 -23.769  -8.789
ATOM    939  CG  ASP    60      51.937 -25.147  -8.438
ATOM    940  OD1 ASP    60      51.158 -25.972  -7.917
ATOM    941  OD2 ASP    60      53.181 -25.246  -8.379
ATOM    942  C   ASP    60      52.439 -25.009 -11.174
ATOM    943  O   ASP    60      52.517 -26.223 -10.989
ATOM    944  N   VAL    61      53.381 -24.310 -11.801
ATOM    945  H   VAL    61      53.258 -23.315 -11.922
ATOM    946  CA  VAL    61      54.587 -24.946 -12.318
ATOM    947  HA  VAL    61      54.581 -25.974 -12.020
ATOM    948  CB  VAL    61      54.639 -24.885 -13.856
ATOM    949  HB  VAL    61      55.598 -25.237 -14.174
ATOM    950  CG1 VAL    61      53.574 -25.786 -14.462
ATOM    951 1HG1 VAL    61      53.745 -26.825 -14.140
ATOM    952 2HG1 VAL    61      52.579 -25.456 -14.125
ATOM    953 3HG1 VAL    61      53.627 -25.729 -15.560
ATOM    954  CG2 VAL    61      54.473 -23.451 -14.338
ATOM    955 1HG2 VAL    61      53.502 -23.059 -13.997
ATOM    956 2HG2 VAL    61      55.284 -22.830 -13.928
ATOM    957 3HG2 VAL    61      54.513 -23.427 -15.438
ATOM    958  C   VAL    61      55.840 -24.287 -11.751
ATOM    959  O   VAL    61      55.763 -23.264 -11.073
ATOM    960  N   ASN    62      56.994 -24.882 -12.036
ATOM    961  H   ASN    62      56.990 -25.720 -12.599
ATOM    962  CA  ASN    62      58.265 -24.353 -11.555
ATOM    963  HA  ASN    62      58.145 -23.309 -11.352
ATOM    964  CB  ASN    62      58.677 -25.057 -10.260
ATOM    965 2HB  ASN    62      59.539 -24.561  -9.857
ATOM    966 3HB  ASN    62      57.867 -24.992  -9.560
ATOM    967  CG  ASN    62      59.015 -26.519 -10.479
ATOM    968  OD1 ASN    62      60.179 -26.879 -10.657
ATOM    969  ND2 ASN    62      57.995 -27.370 -10.466
ATOM    970 1HD2 ASN    62      58.159 -28.357 -10.606
ATOM    971 2HD2 ASN    62      57.056 -27.030 -10.316
ATOM    972  C   ASN    62      59.357 -24.521 -12.607
ATOM    973  O   ASN    62      59.546 -25.607 -13.153
ATOM    974  N   GLY    63      60.075 -23.436 -12.885
ATOM    975  H   GLY    63      59.877 -22.570 -12.405
ATOM    976  CA  GLY    63      61.139 -23.484 -13.870
ATOM    977 2HA  GLY    63      61.503 -22.488 -14.032
ATOM    978 3HA  GLY    63      61.933 -24.098 -13.490
ATOM    979  C   GLY    63      60.677 -24.054 -15.197
ATOM    980  O   GLY    63      59.839 -23.462 -15.877
ATOM    981  N   ARG    64      61.225 -25.207 -15.566
ATOM    982  H   ARG    64      61.907 -25.644 -14.962
ATOM    983  CA  ARG    64      60.866 -25.856 -16.821
ATOM    984  HA  ARG    64      60.201 -25.213 -17.359
ATOM    985  CB  ARG    64      62.114 -26.090 -17.675
ATOM    986 2HB  ARG    64      61.802 -26.370 -18.663
ATOM    987 3HB  ARG    64      62.670 -25.173 -17.722
ATOM    988  CG  ARG    64      63.027 -27.178 -17.133
ATOM    989 2HG  ARG    64      63.431 -26.858 -16.192
ATOM    990 3HG  ARG    64      62.455 -28.074 -16.990
ATOM    991  CD  ARG    64      64.173 -27.470 -18.089
ATOM    992 2HD  ARG    64      64.816 -26.612 -18.132
ATOM    993 3HD  ARG    64      64.726 -28.313 -17.720
ATOM    994  NE  ARG    64      63.698 -27.771 -19.437
ATOM    995  HE  ARG    64      62.702 -27.839 -19.588
ATOM    996  CZ  ARG    64      64.504 -27.960 -20.475
ATOM    997  NH1 ARG    64      65.819 -27.882 -20.321
ATOM    998 1HH1 ARG    64      66.210 -27.678 -19.412
ATOM    999 2HH1 ARG    64      66.430 -28.027 -21.112
ATOM   1000  NH2 ARG    64      63.996 -28.230 -21.671
ATOM   1001 1HH2 ARG    64      62.995 -28.291 -21.793
ATOM   1002 2HH2 ARG    64      64.610 -28.374 -22.460
ATOM   1003  C   ARG    64      60.157 -27.183 -16.564
ATOM   1004  O   ARG    64      60.165 -28.077 -17.410
ATOM   1005  N   TYR    65      59.545 -27.303 -15.391
ATOM   1006  H   TYR    65      59.574 -26.532 -14.739
ATOM   1007  CA  TYR    65      58.833 -28.520 -15.021
ATOM   1008  HA  TYR    65      58.709 -29.121 -15.897
ATOM   1009  CB  TYR    65      59.642 -29.316 -13.995
ATOM   1010 2HB  TYR    65      59.559 -28.826 -13.044
ATOM   1011 3HB  TYR    65      59.226 -30.303 -13.926
ATOM   1012  CG  TYR    65      61.108 -29.439 -14.343
ATOM   1013  CD1 TYR    65      61.546 -30.380 -15.268
ATOM   1014  HD1 TYR    65      60.825 -31.033 -15.746
ATOM   1015  CE1 TYR    65      62.885 -30.496 -15.588
ATOM   1016  HE1 TYR    65      63.210 -31.236 -16.310
ATOM   1017  CZ  TYR    65      63.806 -29.666 -14.984
ATOM   1018  OH  TYR    65      65.140 -29.779 -15.300
ATOM   1019  HH  TYR    65      65.644 -29.135 -14.797
ATOM   1020  CE2 TYR    65      63.396 -28.725 -14.063
ATOM   1021  HE2 TYR    65      64.122 -28.074 -13.589
ATOM   1022  CD2 TYR    65      62.056 -28.616 -13.747
ATOM   1023  HD2 TYR    65      61.738 -27.876 -13.022
ATOM   1024  C   TYR    65      57.454 -28.195 -14.457
ATOM   1025  O   TYR    65      57.198 -27.074 -14.016
ATOM   1026  N   THR    66      56.567 -29.185 -14.473
ATOM   1027  H   THR    66      56.838 -30.083 -14.847
ATOM   1028  CA  THR    66      55.213 -29.007 -13.964
ATOM   1029  HA  THR    66      54.942 -27.978 -14.079
ATOM   1030  CB  THR    66      54.201 -29.867 -14.745
ATOM   1031  HB  THR    66      53.211 -29.551 -14.489
ATOM   1032  CG2 THR    66      54.395 -29.702 -16.245
ATOM   1033 1HG2 THR    66      54.250 -28.646 -16.520
ATOM   1034 2HG2 THR    66      55.414 -30.016 -16.520
ATOM   1035 3HG2 THR    66      53.662 -30.325 -16.781
ATOM   1036  OG1 THR    66      54.351 -31.245 -14.388
ATOM   1037 1HG  THR    66      53.717 -31.773 -14.879
ATOM   1038  C   THR    66      55.130 -29.364 -12.484
ATOM   1039  O   THR    66      56.140 -29.677 -11.855
ATOM   1040  N   ALA    67      53.921 -29.315 -11.935
ATOM   1041  H   ALA    67      53.131 -29.049 -12.506
ATOM   1042  CA  ALA    67      53.706 -29.636 -10.530
ATOM   1043  HA  ALA    67      54.221 -28.910  -9.937
ATOM   1044  CB  ALA    67      52.224 -29.565 -10.192
ATOM   1045 1HB  ALA    67      51.851 -28.548 -10.389
ATOM   1046 2HB  ALA    67      51.671 -30.286 -10.814
ATOM   1047 3HB  ALA    67      52.078 -29.810  -9.129
ATOM   1048  C   ALA    67      54.263 -31.014 -10.191
ATOM   1049  O   ALA    67      54.631 -31.281  -9.047
ATOM   1050  N   ASP    68      54.320 -31.886 -11.191
ATOM   1051  H   ASP    68      54.001 -31.606 -12.108
ATOM   1052  CA  ASP    68      54.832 -33.238 -10.998
ATOM   1053  HA  ASP    68      54.569 -33.564 -10.014
ATOM   1054  CB  ASP    68      54.202 -34.194 -12.012
ATOM   1055 2HB  ASP    68      53.305 -33.747 -12.395
ATOM   1056 3HB  ASP    68      54.896 -34.349 -12.816
ATOM   1057  CG  ASP    68      53.854 -35.538 -11.403
ATOM   1058  OD1 ASP    68      53.355 -35.560 -10.258
ATOM   1059  OD2 ASP    68      54.082 -36.569 -12.071
ATOM   1060  C   ASP    68      56.351 -33.268 -11.129
ATOM   1061  O   ASP    68      57.030 -34.015 -10.426
ATOM   1062  N   GLY    69      56.879 -32.449 -12.034
ATOM   1063  H   GLY    69      56.274 -31.856 -12.584
ATOM   1064  CA  GLY    69      58.314 -32.398 -12.241
ATOM   1065 2HA  GLY    69      58.636 -31.377 -12.170
ATOM   1066 3HA  GLY    69      58.793 -32.978 -11.475
ATOM   1067  C   GLY    69      58.725 -32.945 -13.594
ATOM   1068  O   GLY    69      59.847 -33.422 -13.765
ATOM   1069  N   LYS    70      57.813 -32.878 -14.559
ATOM   1070  H   LYS    70      56.909 -32.476 -14.355
ATOM   1071  CA  LYS    70      58.085 -33.371 -15.904
ATOM   1072  HA  LYS    70      58.923 -34.035 -15.861
ATOM   1073  CB  LYS    70      56.877 -34.143 -16.440
ATOM   1074 2HB  LYS    70      56.768 -35.043 -15.866
ATOM   1075 3HB  LYS    70      56.003 -33.533 -16.318
ATOM   1076  CG  LYS    70      56.999 -34.520 -17.906
ATOM   1077 2HG  LYS    70      56.091 -34.998 -18.220
ATOM   1078 3HG  LYS    70      57.151 -33.629 -18.483
ATOM   1079  CD  LYS    70      58.163 -35.467 -18.144
ATOM   1080 2HD  LYS    70      58.715 -35.132 -19.001
ATOM   1081 3HD  LYS    70      58.801 -35.459 -17.282
ATOM   1082  CE  LYS    70      57.683 -36.890 -18.390
ATOM   1083 2HE  LYS    70      57.547 -37.379 -17.444
ATOM   1084 3HE  LYS    70      56.746 -36.855 -18.912
ATOM   1085  NZ  LYS    70      58.657 -37.672 -19.200
ATOM   1086 1HZ  LYS    70      58.788 -37.221 -20.099
ATOM   1087 2HZ  LYS    70      59.544 -37.716 -18.711
ATOM   1088 3HZ  LYS    70      58.302 -38.611 -19.341
ATOM   1089  C   LYS    70      58.425 -32.221 -16.846
ATOM   1090  O   LYS    70      57.900 -31.117 -16.707
ATOM   1091  N   GLU    71      59.306 -32.488 -17.805
ATOM   1092  H   GLU    71      59.702 -33.415 -17.867
ATOM   1093  CA  GLU    71      59.715 -31.474 -18.770
ATOM   1094  HA  GLU    71      60.269 -30.717 -18.255
ATOM   1095  CB  GLU    71      60.615 -32.092 -19.842
ATOM   1096 2HB  GLU    71      60.726 -33.138 -19.630
ATOM   1097 3HB  GLU    71      60.140 -31.969 -20.796
ATOM   1098  CG  GLU    71      61.998 -31.466 -19.909
ATOM   1099 2HG  GLU    71      61.896 -30.438 -20.199
ATOM   1100 3HG  GLU    71      62.447 -31.520 -18.936
ATOM   1101  CD  GLU    71      62.907 -32.164 -20.904
ATOM   1102  OE1 GLU    71      64.057 -32.481 -20.534
ATOM   1103  OE2 GLU    71      62.468 -32.392 -22.050
ATOM   1104  C   GLU    71      58.499 -30.825 -19.425
ATOM   1105  O   GLU    71      57.823 -31.438 -20.251
ATOM   1106  N   VAL    72      58.227 -29.579 -19.050
ATOM   1107  H   VAL    72      58.820 -29.129 -18.367
ATOM   1108  CA  VAL    72      57.093 -28.845 -19.600
ATOM   1109  HA  VAL    72      56.212 -29.439 -19.472
ATOM   1110  CB  VAL    72      56.886 -27.505 -18.871
ATOM   1111  HB  VAL    72      56.712 -27.710 -17.835
ATOM   1112  CG1 VAL    72      58.130 -26.637 -18.983
ATOM   1113 1HG1 VAL    72      58.985 -27.161 -18.530
ATOM   1114 2HG1 VAL    72      58.343 -26.436 -20.044
ATOM   1115 3HG1 VAL    72      57.962 -25.685 -18.456
ATOM   1116  CG2 VAL    72      55.669 -26.780 -19.425
ATOM   1117 1HG2 VAL    72      55.816 -26.584 -20.499
ATOM   1118 2HG2 VAL    72      54.774 -27.406 -19.285
ATOM   1119 3HG2 VAL    72      55.537 -25.825 -18.893
ATOM   1120  C   VAL    72      57.282 -28.578 -21.089
ATOM   1121  O   VAL    72      56.324 -28.604 -21.862
ATOM   1122  N   LEU    73      58.524 -28.321 -21.485
ATOM   1123  H   LEU    73      59.267 -28.314 -20.801
ATOM   1124  CA  LEU    73      58.840 -28.049 -22.883
ATOM   1125  HA  LEU    73      58.258 -27.212 -23.207
ATOM   1126  CB  LEU    73      60.321 -27.699 -23.032
ATOM   1127 2HB  LEU    73      60.860 -28.221 -22.265
ATOM   1128 3HB  LEU    73      60.644 -28.044 -23.995
ATOM   1129  CG  LEU    73      60.674 -26.215 -22.924
ATOM   1130  HG  LEU    73      60.261 -25.836 -22.013
ATOM   1131  CD1 LEU    73      62.183 -26.026 -22.882
ATOM   1132 1HD1 LEU    73      62.595 -26.555 -22.009
ATOM   1133 2HD1 LEU    73      62.630 -26.433 -23.802
ATOM   1134 3HD1 LEU    73      62.416 -24.953 -22.804
ATOM   1135  CD2 LEU    73      60.070 -25.437 -24.084
ATOM   1136 1HD2 LEU    73      60.464 -25.830 -25.034
ATOM   1137 2HD2 LEU    73      58.975 -25.546 -24.068
ATOM   1138 3HD2 LEU    73      60.334 -24.372 -23.989
ATOM   1139  C   LEU    73      58.498 -29.248 -23.762
ATOM   1140  O   LEU    73      57.849 -29.105 -24.798
ATOM   1141  N   GLU    74      58.937 -30.429 -23.339
ATOM   1142  H   GLU    74      59.464 -30.480 -22.479
ATOM   1143  CA  GLU    74      58.676 -31.653 -24.088
ATOM   1144  HA  GLU    74      58.864 -31.464 -25.124
ATOM   1145  CB  GLU    74      59.608 -32.772 -23.620
ATOM   1146 2HB  GLU    74      60.607 -32.535 -23.933
ATOM   1147 3HB  GLU    74      59.571 -32.819 -22.549
ATOM   1148  CG  GLU    74      59.243 -34.140 -24.174
ATOM   1149 2HG  GLU    74      58.354 -34.484 -23.682
ATOM   1150 3HG  GLU    74      59.055 -34.046 -25.226
ATOM   1151  CD  GLU    74      60.341 -35.165 -23.966
ATOM   1152  OE1 GLU    74      60.664 -35.891 -24.930
ATOM   1153  OE2 GLU    74      60.876 -35.242 -22.841
ATOM   1154  C   GLU    74      57.222 -32.088 -23.930
ATOM   1155  O   GLU    74      56.585 -32.523 -24.889
ATOM   1156  N   TYR    75      56.704 -31.967 -22.713
ATOM   1157  H   TYR    75      57.278 -31.601 -21.967
ATOM   1158  CA  TYR    75      55.326 -32.350 -22.427
ATOM   1159  HA  TYR    75      55.229 -33.406 -22.573
ATOM   1160  CB  TYR    75      54.976 -32.025 -20.974
ATOM   1161 2HB  TYR    75      55.539 -32.678 -20.335
ATOM   1162 3HB  TYR    75      55.253 -31.007 -20.778
ATOM   1163  CG  TYR    75      53.507 -32.192 -20.653
ATOM   1164  CD1 TYR    75      52.795 -33.289 -21.121
ATOM   1165  HD1 TYR    75      53.301 -34.035 -21.723
ATOM   1166  CE1 TYR    75      51.453 -33.446 -20.832
ATOM   1167  HE1 TYR    75      50.912 -34.308 -21.206
ATOM   1168  CZ  TYR    75      50.806 -32.499 -20.065
ATOM   1169  OH  TYR    75      49.470 -32.651 -19.773
ATOM   1170  HH  TYR    75      49.174 -31.913 -19.235
ATOM   1171  CE2 TYR    75      51.492 -31.401 -19.588
ATOM   1172  HE2 TYR    75      50.981 -30.659 -18.984
ATOM   1173  CD2 TYR    75      52.833 -31.252 -19.884
ATOM   1174  HD2 TYR    75      53.368 -30.387 -19.510
ATOM   1175  C   TYR    75      54.357 -31.639 -23.367
ATOM   1176  O   TYR    75      53.594 -32.279 -24.091
ATOM   1177  N   LEU    76      54.394 -30.311 -23.350
ATOM   1178  H   LEU    76      55.043 -29.844 -22.733
ATOM   1179  CA  LEU    76      53.520 -29.511 -24.201
ATOM   1180  HA  LEU    76      52.546 -29.954 -24.201
ATOM   1181  CB  LEU    76      53.408 -28.087 -23.654
ATOM   1182 2HB  LEU    76      54.292 -27.553 -23.946
ATOM   1183 3HB  LEU    76      52.549 -27.629 -24.105
ATOM   1184  CG  LEU    76      53.264 -27.960 -22.137
ATOM   1185  HG  LEU    76      54.030 -28.547 -21.675
ATOM   1186  CD1 LEU    76      53.442 -26.513 -21.703
ATOM   1187 1HD1 LEU    76      54.443 -26.162 -21.997
ATOM   1188 2HD1 LEU    76      52.677 -25.888 -22.188
ATOM   1189 3HD1 LEU    76      53.335 -26.442 -20.610
ATOM   1190  CD2 LEU    76      51.912 -28.492 -21.683
ATOM   1191 1HD2 LEU    76      51.109 -27.915 -22.168
ATOM   1192 2HD2 LEU    76      51.822 -29.553 -21.963
ATOM   1193 3HD2 LEU    76      51.827 -28.392 -20.590
ATOM   1194  C   LEU    76      54.038 -29.478 -25.635
ATOM   1195  O   LEU    76      53.264 -29.341 -26.582
ATOM   1196  N   GLY    77      55.352 -29.606 -25.787
ATOM   1197  H   GLY    77      55.940 -29.716 -24.973
ATOM   1198  CA  GLY    77      55.951 -29.590 -27.109
ATOM   1199 2HA  GLY    77      55.587 -28.733 -27.642
ATOM   1200 3HA  GLY    77      57.016 -29.519 -27.003
ATOM   1201  C   GLY    77      55.623 -30.835 -27.909
ATOM   1202  O   GLY    77      55.909 -30.907 -29.104
ATOM   1203  N   ASN    78      55.021 -31.819 -27.249
ATOM   1204  H   ASN    78      54.811 -31.698 -26.268
ATOM   1205  CA  ASN    78      54.656 -33.069 -27.906
ATOM   1206  HA  ASN    78      55.469 -33.376 -28.530
ATOM   1207  CB  ASN    78      54.401 -34.161 -26.866
ATOM   1208 2HB  ASN    78      54.436 -33.721 -25.888
ATOM   1209 3HB  ASN    78      53.427 -34.578 -27.036
ATOM   1210  CG  ASN    78      55.426 -35.276 -26.935
ATOM   1211  OD1 ASN    78      56.538 -35.083 -27.426
ATOM   1212  ND2 ASN    78      55.054 -36.453 -26.443
ATOM   1213 1HD2 ASN    78      55.695 -37.234 -26.462
ATOM   1214 2HD2 ASN    78      54.131 -36.567 -26.050
ATOM   1215  C   ASN    78      53.418 -32.883 -28.779
ATOM   1216  O   ASN    78      52.610 -31.977 -28.569
ATOM   1217  N   PRO    79      53.263 -33.760 -29.781
ATOM   1218  CD  PRO    79      54.186 -34.865 -30.090
ATOM   1219 2HD  PRO    79      54.404 -35.440 -29.211
ATOM   1220 3HD  PRO    79      55.101 -34.495 -30.511
ATOM   1221  CG  PRO    79      53.425 -35.685 -31.095
ATOM   1222 2HG  PRO    79      52.869 -36.459 -30.601
ATOM   1223 3HG  PRO    79      54.099 -36.126 -31.804
ATOM   1224  CB  PRO    79      52.500 -34.739 -31.779
ATOM   1225 2HB  PRO    79      51.627 -35.253 -32.133
ATOM   1226 3HB  PRO    79      52.991 -34.259 -32.604
ATOM   1227  CA  PRO    79      52.125 -33.715 -30.705
ATOM   1228  HA  PRO    79      52.040 -32.740 -31.138
ATOM   1229  C   PRO    79      50.815 -34.105 -30.030
ATOM   1230  O   PRO    79      49.802 -33.423 -30.179
ATOM   1231  N   ALA    80      50.842 -35.207 -29.288
ATOM   1232  H   ALA    80      51.705 -35.725 -29.207
ATOM   1233  CA  ALA    80      49.657 -35.687 -28.588
ATOM   1234  HA  ALA    80      48.929 -35.975 -29.318
ATOM   1235  CB  ALA    80      49.998 -36.907 -27.746
ATOM   1236 1HB  ALA    80      50.379 -37.708 -28.398
ATOM   1237 2HB  ALA    80      50.768 -36.639 -27.006
ATOM   1238 3HB  ALA    80      49.094 -37.257 -27.224
ATOM   1239  C   ALA    80      49.054 -34.591 -27.716
ATOM   1240  O   ALA    80      47.841 -34.542 -27.515
ATOM   1241  N   ASN    81      49.909 -33.715 -27.198
ATOM   1242  H   ASN    81      50.894 -33.810 -27.399
ATOM   1243  CA  ASN    81      49.460 -32.620 -26.346
ATOM   1244  HA  ASN    81      48.434 -32.786 -26.091
ATOM   1245  CB  ASN    81      50.282 -32.581 -25.056
ATOM   1246 2HB  ASN    81      51.182 -32.026 -25.238
ATOM   1247 3HB  ASN    81      49.706 -32.089 -24.296
ATOM   1248  CG  ASN    81      50.655 -33.966 -24.565
ATOM   1249  OD1 ASN    81      49.822 -34.687 -24.015
ATOM   1250  ND2 ASN    81      51.912 -34.345 -24.762
ATOM   1251 1HD2 ASN    81      52.218 -35.258 -24.456
ATOM   1252 2HD2 ASN    81      52.562 -33.721 -25.218
ATOM   1253  C   ASN    81      49.569 -31.284 -27.073
ATOM   1254  O   ASN    81      50.372 -30.427 -26.703
ATOM   1255  N   TYR    82      48.756 -31.113 -28.110
ATOM   1256  H   TYR    82      48.118 -31.854 -28.363
ATOM   1257  CA  TYR    82      48.762 -29.882 -28.891
ATOM   1258  HA  TYR    82      49.771 -29.663 -29.174
ATOM   1259  CB  TYR    82      47.927 -30.054 -30.161
ATOM   1260 2HB  TYR    82      47.252 -30.875 -30.014
ATOM   1261 3HB  TYR    82      47.366 -29.154 -30.323
ATOM   1262  CG  TYR    82      48.754 -30.330 -31.396
ATOM   1263  CD1 TYR    82      48.656 -31.544 -32.065
ATOM   1264  HD1 TYR    82      47.976 -32.303 -31.695
ATOM   1265  CE1 TYR    82      49.410 -31.800 -33.194
ATOM   1266  HE1 TYR    82      49.321 -32.752 -33.704
ATOM   1267  CZ  TYR    82      50.276 -30.838 -33.669
ATOM   1268  OH  TYR    82      51.030 -31.089 -34.793
ATOM   1269  HH  TYR    82      51.576 -30.324 -34.989
ATOM   1270  CE2 TYR    82      50.392 -29.625 -33.022
ATOM   1271  HE2 TYR    82      51.073 -28.870 -33.397
ATOM   1272  CD2 TYR    82      49.635 -29.378 -31.893
ATOM   1273  HD2 TYR    82      49.730 -28.425 -31.386
ATOM   1274  C   TYR    82      48.224 -28.713 -28.070
ATOM   1275  O   TYR    82      48.913 -27.722 -27.827
ATOM   1276  N   PRO    83      46.962 -28.831 -27.632
ATOM   1277  CD  PRO    83      46.082 -29.985 -27.883
ATOM   1278 2HD  PRO    83      46.577 -30.905 -27.640
ATOM   1279 3HD  PRO    83      45.764 -30.010 -28.908
ATOM   1280  CG  PRO    83      44.917 -29.742 -26.964
ATOM   1281 2HG  PRO    83      45.075 -30.233 -26.023
ATOM   1282 3HG  PRO    83      44.010 -30.104 -27.408
ATOM   1283  CB  PRO    83      44.847 -28.266 -26.772
ATOM   1284 2HB  PRO    83      44.410 -28.029 -25.821
ATOM   1285 3HB  PRO    83      44.271 -27.810 -27.554
ATOM   1286  CA  PRO    83      46.302 -27.796 -26.830
ATOM   1287  HA  PRO    83      46.364 -26.850 -27.326
ATOM   1288  C   PRO    83      46.885 -27.691 -25.425
ATOM   1289  O   PRO    83      46.840 -28.648 -24.651
ATOM   1290  N   VAL    84      47.431 -26.524 -25.101
ATOM   1291  H   VAL    84      47.437 -25.778 -25.781
ATOM   1292  CA  VAL    84      48.021 -26.294 -23.788
ATOM   1293  HA  VAL    84      47.501 -26.897 -23.074
ATOM   1294  CB  VAL    84      49.510 -26.688 -23.765
ATOM   1295  HB  VAL    84      49.914 -26.418 -22.812
ATOM   1296  CG1 VAL    84      49.667 -28.191 -23.942
ATOM   1297 1HG1 VAL    84      49.146 -28.713 -23.124
ATOM   1298 2HG1 VAL    84      49.232 -28.494 -24.907
ATOM   1299 3HG1 VAL    84      50.736 -28.453 -23.923
ATOM   1300  CG2 VAL    84      50.277 -25.933 -24.839
ATOM   1301 1HG2 VAL    84      49.858 -26.175 -25.828
ATOM   1302 2HG2 VAL    84      50.191 -24.850 -24.659
ATOM   1303 3HG2 VAL    84      51.338 -26.227 -24.808
ATOM   1304  C   VAL    84      47.887 -24.833 -23.373
ATOM   1305  O   VAL    84      48.202 -23.927 -24.145
ATOM   1306  N   SER    85      47.418 -24.611 -22.150
ATOM   1307  H   SER    85      47.179 -25.398 -21.564
ATOM   1308  CA  SER    85      47.239 -23.260 -21.633
ATOM   1309  HA  SER    85      47.212 -22.580 -22.459
ATOM   1310  CB  SER    85      45.916 -23.153 -20.871
ATOM   1311 2HB  SER    85      45.139 -23.611 -21.452
ATOM   1312 3HB  SER    85      46.010 -23.665 -19.933
ATOM   1313  OG  SER    85      45.575 -21.800 -20.628
ATOM   1314  HG  SER    85      44.743 -21.760 -20.150
ATOM   1315  C   SER    85      48.397 -22.869 -20.721
ATOM   1316  O   SER    85      48.825 -23.652 -19.872
ATOM   1317  N   ILE    86      48.901 -21.653 -20.902
ATOM   1318  H   ILE    86      48.506 -21.058 -21.616
ATOM   1319  CA  ILE    86      50.009 -21.157 -20.096
ATOM   1320  HA  ILE    86      50.252 -21.898 -19.364
ATOM   1321  CB  ILE    86      51.259 -20.896 -20.956
ATOM   1322  HB  ILE    86      51.078 -20.035 -21.566
ATOM   1323  CG2 ILE    86      52.463 -20.615 -20.070
ATOM   1324 1HG2 ILE    86      52.263 -19.728 -19.450
ATOM   1325 2HG2 ILE    86      52.650 -21.483 -19.419
ATOM   1326 3HG2 ILE    86      53.347 -20.431 -20.700
ATOM   1327  CG1 ILE    86      51.533 -22.091 -21.872
ATOM   1328 2HG1 ILE    86      51.692 -22.958 -21.260
ATOM   1329 3HG1 ILE    86      50.673 -22.246 -22.494
ATOM   1330  CD1 ILE    86      52.741 -21.906 -22.763
ATOM   1331 1HD1 ILE    86      52.591 -21.026 -23.407
ATOM   1332 2HD1 ILE    86      53.637 -21.757 -22.140
ATOM   1333 3HD1 ILE    86      52.875 -22.801 -23.390
ATOM   1334  C   ILE    86      49.628 -19.871 -19.370
ATOM   1335  O   ILE    86      49.031 -18.968 -19.956
ATOM   1336  N   ARG    87      49.980 -19.794 -18.090
ATOM   1337  H   ARG    87      50.470 -20.569 -17.666
ATOM   1338  CA  ARG    87      49.676 -18.618 -17.284
ATOM   1339  HA  ARG    87      49.172 -17.903 -17.901
ATOM   1340  CB  ARG    87      48.755 -18.994 -16.122
ATOM   1341 2HB  ARG    87      49.338 -19.501 -15.377
ATOM   1342 3HB  ARG    87      48.349 -18.092 -15.705
ATOM   1343  CG  ARG    87      47.602 -19.898 -16.527
ATOM   1344 2HG  ARG    87      47.237 -19.589 -17.488
ATOM   1345 3HG  ARG    87      47.956 -20.909 -16.587
ATOM   1346  CD  ARG    87      46.463 -19.832 -15.521
ATOM   1347 2HD  ARG    87      46.876 -19.751 -14.534
ATOM   1348 3HD  ARG    87      45.865 -18.966 -15.730
ATOM   1349  NE  ARG    87      45.612 -21.018 -15.580
ATOM   1350  HE  ARG    87      45.649 -21.671 -14.810
ATOM   1351  CZ  ARG    87      44.793 -21.285 -16.590
ATOM   1352  NH1 ARG    87      44.714 -20.456 -17.622
ATOM   1353 1HH1 ARG    87      45.278 -19.618 -17.641
ATOM   1354 2HH1 ARG    87      44.090 -20.662 -18.389
ATOM   1355  NH2 ARG    87      44.050 -22.385 -16.571
ATOM   1356 1HH2 ARG    87      44.107 -23.020 -15.787
ATOM   1357 2HH2 ARG    87      43.428 -22.587 -17.340
ATOM   1358  C   ARG    87      50.955 -17.981 -16.748
ATOM   1359  O   ARG    87      51.443 -18.348 -15.679
ATOM   1360  N   PHE    88      51.493 -17.025 -17.498
ATOM   1361  H   PHE    88      51.044 -16.768 -18.365
ATOM   1362  CA  PHE    88      52.716 -16.338 -17.099
ATOM   1363  HA  PHE    88      53.156 -16.872 -16.283
ATOM   1364  CB  PHE    88      53.713 -16.312 -18.259
ATOM   1365 2HB  PHE    88      54.531 -15.673 -17.989
ATOM   1366 3HB  PHE    88      54.076 -17.309 -18.417
ATOM   1367  CG  PHE    88      53.123 -15.811 -19.546
ATOM   1368  CD1 PHE    88      52.922 -16.671 -20.613
ATOM   1369  HD1 PHE    88      53.194 -17.716 -20.517
ATOM   1370  CE1 PHE    88      52.379 -16.213 -21.799
ATOM   1371  HE1 PHE    88      52.227 -16.897 -22.626
ATOM   1372  CZ  PHE    88      52.031 -14.883 -21.929
ATOM   1373  HZ  PHE    88      51.606 -14.521 -22.858
ATOM   1374  CE2 PHE    88      52.226 -14.015 -20.872
ATOM   1375  HE2 PHE    88      51.952 -12.971 -20.971
ATOM   1376  CD2 PHE    88      52.770 -14.478 -19.689
ATOM   1377  HD2 PHE    88      52.922 -13.792 -18.864
ATOM   1378  C   PHE    88      52.415 -14.914 -16.641
ATOM   1379  O   PHE    88      51.292 -14.429 -16.780
ATOM   1380  N   GLY    89      53.427 -14.248 -16.093
ATOM   1381  H   GLY    89      54.328 -14.695 -16.004
ATOM   1382  CA  GLY    89      53.251 -12.887 -15.622
ATOM   1383 2HA  GLY    89      52.620 -12.362 -16.313
ATOM   1384 3HA  GLY    89      52.781 -12.914 -14.658
ATOM   1385  C   GLY    89      54.565 -12.141 -15.501
ATOM   1386  O   GLY    89      55.555 -12.506 -16.137
ATOM   1387  N   ARG    90      54.576 -11.092 -14.685
ATOM   1388  H   ARG    90      53.731 -10.844 -14.191
ATOM   1389  CA  ARG    90      55.777 -10.291 -14.486
ATOM   1390  HA  ARG    90      56.564 -10.703 -15.083
ATOM   1391  CB  ARG    90      55.533  -8.847 -14.931
ATOM   1392 2HB  ARG    90      55.233  -8.856 -15.961
ATOM   1393 3HB  ARG    90      54.743  -8.436 -14.332
ATOM   1394  CG  ARG    90      56.755  -7.953 -14.794
ATOM   1395 2HG  ARG    90      56.432  -6.948 -14.600
ATOM   1396 3HG  ARG    90      57.352  -8.301 -13.973
ATOM   1397  CD  ARG    90      57.599  -7.966 -16.059
ATOM   1398 2HD  ARG    90      58.636  -7.981 -15.783
ATOM   1399 3HD  ARG    90      57.366  -8.849 -16.622
ATOM   1400  NE  ARG    90      57.350  -6.795 -16.895
ATOM   1401  HE  ARG    90      56.728  -6.895 -17.684
ATOM   1402  CZ  ARG    90      57.897  -5.605 -16.674
ATOM   1403  NH1 ARG    90      58.719  -5.429 -15.648
ATOM   1404 1HH1 ARG    90      58.931  -6.201 -15.032
ATOM   1405 2HH1 ARG    90      59.133  -4.523 -15.482
ATOM   1406  NH2 ARG    90      57.622  -4.587 -17.480
ATOM   1407 1HH2 ARG    90      56.996  -4.717 -18.262
ATOM   1408 2HH2 ARG    90      58.038  -3.682 -17.311
ATOM   1409  C   ARG    90      56.212 -10.317 -13.023
ATOM   1410  O   ARG    90      56.109  -9.325 -12.302
ATOM   1411  N   PRO    91      56.709 -11.479 -12.575
ATOM   1412  CD  PRO    91      56.861 -12.703 -13.379
ATOM   1413 2HD  PRO    91      57.361 -12.494 -14.305
ATOM   1414 3HD  PRO    91      55.907 -13.151 -13.581
ATOM   1415  CG  PRO    91      57.699 -13.593 -12.504
ATOM   1416 2HG  PRO    91      58.740 -13.467 -12.733
ATOM   1417 3HG  PRO    91      57.424 -14.620 -12.645
ATOM   1418  CB  PRO    91      57.422 -13.170 -11.103
ATOM   1419 2HB  PRO    91      58.266 -13.374 -10.472
ATOM   1420 3HB  PRO    91      56.557 -13.676 -10.719
ATOM   1421  CA  PRO    91      57.169 -11.663 -11.195
ATOM   1422  HA  PRO    91      56.400 -11.376 -10.509
ATOM   1423  C   PRO    91      58.450 -10.889 -10.903
ATOM   1424  O   PRO    91      58.897 -10.080 -11.716
ATOM   1425  N   ARG    92      59.037 -11.143  -9.738
ATOM   1426  H   ARG    92      58.621 -11.819  -9.114
ATOM   1427  CA  ARG    92      60.267 -10.469  -9.339
ATOM   1428  HA  ARG    92      60.849 -10.275 -10.216
ATOM   1429  CB  ARG    92      59.946  -9.135  -8.663
ATOM   1430 2HB  ARG    92      59.087  -8.709  -9.144
ATOM   1431 3HB  ARG    92      59.721  -9.323  -7.631
ATOM   1432  CG  ARG    92      61.084  -8.129  -8.731
ATOM   1433 2HG  ARG    92      60.861  -7.305  -8.081
ATOM   1434 3HG  ARG    92      61.990  -8.605  -8.408
ATOM   1435  CD  ARG    92      61.279  -7.604 -10.144
ATOM   1436 2HD  ARG    92      62.331  -7.529 -10.344
ATOM   1437 3HD  ARG    92      60.832  -8.293 -10.834
ATOM   1438  NE  ARG    92      60.669  -6.289 -10.328
ATOM   1439  HE  ARG    92      60.267  -5.832  -9.522
ATOM   1440  CZ  ARG    92      60.615  -5.662 -11.498
ATOM   1441  NH1 ARG    92      61.130  -6.226 -12.581
ATOM   1442 1HH1 ARG    92      61.566  -7.135 -12.518
ATOM   1443 2HH1 ARG    92      61.087  -5.747 -13.469
ATOM   1444  NH2 ARG    92      60.043  -4.467 -11.585
ATOM   1445 1HH2 ARG    92      59.649  -4.034 -10.762
ATOM   1446 2HH2 ARG    92      60.002  -3.990 -12.475
ATOM   1447  C   ARG    92      61.086 -11.346  -8.396
ATOM   1448  O   ARG    92      61.753 -10.847  -7.489
ATOM   1449  N   LEU    93      61.030 -12.655  -8.616
ATOM   1450  H   LEU    93      60.464 -13.003  -9.377
ATOM   1451  CA  LEU    93      61.766 -13.602  -7.785
ATOM   1452  HA  LEU    93      61.754 -13.250  -6.775
ATOM   1453  CB  LEU    93      61.097 -14.977  -7.830
ATOM   1454 2HB  LEU    93      60.870 -15.198  -8.855
ATOM   1455 3HB  LEU    93      61.800 -15.696  -7.456
ATOM   1456  CG  LEU    93      59.806 -15.122  -7.024
ATOM   1457  HG  LEU    93      59.104 -14.397  -7.379
ATOM   1458  CD1 LEU    93      59.206 -16.506  -7.219
ATOM   1459 1HD1 LEU    93      58.980 -16.661  -8.285
ATOM   1460 2HD1 LEU    93      59.925 -17.269  -6.881
ATOM   1461 3HD1 LEU    93      58.279 -16.590  -6.631
ATOM   1462  CD2 LEU    93      60.066 -14.855  -5.548
ATOM   1463 1HD2 LEU    93      60.807 -15.576  -5.170
ATOM   1464 2HD2 LEU    93      60.453 -13.832  -5.423
ATOM   1465 3HD2 LEU    93      59.127 -14.964  -4.984
ATOM   1466  C   LEU    93      63.216 -13.715  -8.243
ATOM   1467  O   LEU    93      64.109 -14.014  -7.449
ATOM   1468  N   THR    94      63.446 -13.472  -9.530
ATOM   1469  H   THR    94      62.671 -13.231 -10.132
ATOM   1470  CA  THR    94      64.788 -13.545 -10.094
ATOM   1471  HA  THR    94      65.111 -14.565 -10.066
ATOM   1472  CB  THR    94      64.809 -13.068 -11.559
ATOM   1473  HB  THR    94      64.771 -11.999 -11.574
ATOM   1474  CG2 THR    94      66.081 -13.522 -12.257
ATOM   1475 1HG2 THR    94      66.955 -13.103 -11.735
ATOM   1476 2HG2 THR    94      66.136 -14.622 -12.241
ATOM   1477 3HG2 THR    94      66.073 -13.170 -13.300
ATOM   1478  OG1 THR    94      63.667 -13.579 -12.256
ATOM   1479 1HG  THR    94      63.687 -13.278 -13.167
ATOM   1480  C   THR    94      65.771 -12.707  -9.285
ATOM   1481  O   THR    94      65.509 -11.541  -8.987
ATOM   1482  N   SER    95      66.903 -13.307  -8.932
ATOM   1483  H   SER    95      67.060 -14.266  -9.209
ATOM   1484  CA  SER    95      67.925 -12.615  -8.154
ATOM   1485  HA  SER    95      67.891 -11.574  -8.397
ATOM   1486  CB  SER    95      67.651 -12.775  -6.658
ATOM   1487 2HB  SER    95      67.644 -13.820  -6.413
ATOM   1488 3HB  SER    95      68.428 -12.284  -6.105
ATOM   1489  OG  SER    95      66.402 -12.208  -6.304
ATOM   1490  HG  SER    95      66.254 -12.321  -5.362
ATOM   1491  C   SER    95      69.315 -13.147  -8.488
ATOM   1492  O   SER    95      69.778 -14.120  -7.894
ATOM   1493  N   ASN    96      69.975 -12.502  -9.444
ATOM   1494  H   ASN    96      69.540 -11.710  -9.894
ATOM   1495  CA  ASN    96      71.312 -12.910  -9.859
ATOM   1496  HA  ASN    96      71.654 -13.678  -9.197
ATOM   1497  CB  ASN    96      71.279 -13.472 -11.282
ATOM   1498 2HB  ASN    96      70.340 -13.968 -11.435
ATOM   1499 3HB  ASN    96      71.371 -12.659 -11.976
ATOM   1500  CG  ASN    96      72.399 -14.461 -11.539
ATOM   1501  OD1 ASN    96      73.493 -14.081 -11.957
ATOM   1502  ND2 ASN    96      72.130 -15.737 -11.291
ATOM   1503 1HD2 ASN    96      72.838 -16.441 -11.444
ATOM   1504 2HD2 ASN    96      71.218 -16.004 -10.949
ATOM   1505  C   ASN    96      72.286 -11.737  -9.787
ATOM   1506  O   ASN    96      73.225 -11.745  -8.992
ATOM   1507  OXT ASN    96      72.149 -10.766 -10.528
TER   
END   
standard_anneal0000744000372100000240000000230310452206602012701 0ustar  fenggames#! /bin/sh -f
cat << eof > anneal1

 MD annealing protocol for NAP

#
#

 &cntrl
    nstlim=30000, pencut=0.3, nmropt=1,
    ntpr=100, ntt=1, cut=8.0,
    ntc=1, vlimit=20., scee=2.0, igb=3, ntb=0,
    ntr=0, 
 &end

#
# Simulated annealing protocol 30ps
# Non-bonded terms negligible for first 15ps then expanded to normal
#

 &wt type='TEMP0', istep1=0, istep2=8000, value1=1000.0, value2=1000.0, &end
 &wt type='TEMP0', istep1=8001, istep2=10000, value1=1000.0, value2=1000.0, &end
 &wt type='TEMP0', istep1=10001, istep2=30000, value1=0.0, value2=0.0, &end

 &wt type='TAUTP', istep1=0, istep2=8000, value1=2.0, value2=2.0, &end
 &wt type='TAUTP', istep1=8001, istep2=10000, value1=2.0, value2=2.0, &end
 &wt type='TAUTP', istep1=10001, istep2=25000, value1=4.0, value2=4.0, &end
 &wt type='TAUTP', istep1=25001, istep2=28000, value1=0.7, value2=0.1, &end
 &wt type='TAUTP', istep1=28001, istep2=29000, value1=0.1, value2=0.1, &end
 &wt type='TAUTP', istep1=29001, istep2=30000, value1=0.05, value2=0.05, &end

 &wt type='REST', istep1=0, istep2=16000, value1=0.0, value2=1.0, &end
 &wt type='REST', istep1=16001, istep2=30000, value1=1.0, value2=1.0, &end

 &wt type='END' &end
LISTOUT=POUT
DISANG=all.rst
END
END
all.rst0000744000372100000240000176070310452207062011163 0ustar  fenggames#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3=200.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA2 HA3
 &rst iat=20,25,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=29,34,32,33, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=27,42,30,31, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=46,51,49,50, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=44,59,47,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=63,68,66,67, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=61,76,64,65, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=80,85,83,84, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=78,93,81,82, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=97,102,100,101, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=95,110,98,99, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=114,119,117,118, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=112,127,115,116, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=131,136,134,135, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=133,138,142,137, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=129,146,132,133, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=150,155,153,154, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=148,158,151,152, &end
#
#  chirality for residue 11 atoms:  CA OG HB2 HB3
 &rst iat=162,167,165,166, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=160,169,163,164, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=173,178,176,177, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=171,190,174,175, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=192,200,195,196, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=212,206,210,211, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=209,203,207,208, &end
#
#  chirality for residue 14 atoms:  CG N HD2 HD3
 &rst iat=206,202,204,205, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=202,214,213,209, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=218,223,221,222, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=220,226,224,225, &end
#
#  chirality for residue 15 atoms:  CG NE HD2 HD3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=216,238,219,220, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=240,248,243,244, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=252,257,255,256, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=254,260,258,259, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=250,263,253,254, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=265,273,268,269, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=277,282,280,281, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=279,285,283,284, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=275,288,278,279, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=292,297,295,296, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=294,300,298,299, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=300,306,304,305, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=297,303,301,302, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=290,310,293,294, &end
#
#  chirality for residue 21 atoms:  CA CG2 OG1 HB
 &rst iat=314,318,322,317, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=312,324,315,316, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=328,333,331,332, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=326,344,329,330, &end
#
#  chirality for residue 23 atoms:  CA OG HB2 HB3
 &rst iat=348,353,351,352, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=346,355,349,350, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=359,364,362,363, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=357,376,360,361, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=388,382,386,387, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=385,379,383,384, &end
#
#  chirality for residue 25 atoms:  CG N HD2 HD3
 &rst iat=382,378,380,381, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=378,390,389,385, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=396,401,405,400, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=392,409,395,396, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=411,421,414,415, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=427,432,436,431, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=423,440,426,427, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=444,449,447,448, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=446,451,455,450, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=442,459,445,446, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=465,470,474,469, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=461,478,464,465, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=482,487,485,486, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=484,490,488,489, &end
#
#  chirality for residue 31 atoms:  CD NZ HE2 HE3
 &rst iat=490,496,494,495, &end
#
#  chirality for residue 31 atoms:  CG CE HD2 HD3
 &rst iat=487,493,491,492, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=480,500,483,484, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=504,509,507,508, &end
#
#  chirality for residue 32 atoms:  CB CD1 CD2 HG
 &rst iat=506,511,515,510, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=502,519,505,506, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=521,536,524,525, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=538,548,541,542, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=552,557,555,556, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=554,560,558,559, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=550,563,553,554, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=567,572,570,571, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=569,575,573,574, &end
#
#  chirality for residue 36 atoms:  CG NE HD2 HD3
 &rst iat=572,578,576,577, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=565,587,568,569, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=591,595,599,594, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=589,603,592,593, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=607,612,610,611, &end
#
#  chirality for residue 38 atoms:  CB CD1 CD2 HG
 &rst iat=609,614,618,613, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=605,622,608,609, &end
#
#  chirality for residue 39 atoms:  CA CG1 CG2 HB
 &rst iat=626,630,634,629, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=624,638,627,628, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=640,648,643,644, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=652,657,655,656, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=650,668,653,654, &end
#
#  chirality for residue 42 atoms:  N C HA2 HA3
 &rst iat=670,675,673,674, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=679,684,682,683, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=681,687,685,686, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=677,692,680,681, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=696,701,699,700, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=698,704,702,703, &end
#
#  chirality for residue 44 atoms:  CG NE HD2 HD3
 &rst iat=701,707,705,706, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=694,716,697,698, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=720,725,723,724, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=718,728,721,722, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=730,735,733,734, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=739,743,747,742, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=741,750,748,749, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=737,754,740,741, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=758,763,761,762, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=760,766,764,765, &end
#
#  chirality for residue 48 atoms:  CG NE HD2 HD3
 &rst iat=763,769,767,768, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=756,778,759,760, &end
#
#  chirality for residue 49 atoms:  CA CG1 CG2 HB
 &rst iat=782,786,790,785, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=780,794,783,784, &end
#
#  chirality for residue 50 atoms:  N C HA2 HA3
 &rst iat=796,801,799,800, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=805,810,808,809, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=803,818,806,807, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=820,828,823,824, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=832,836,840,835, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=830,844,833,834, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=848,853,851,852, &end
#
#  chirality for residue 54 atoms:  CB CD1 CD2 HG
 &rst iat=850,855,859,854, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=846,863,849,850, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=865,873,868,869, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=877,881,885,880, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=879,888,886,887, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=875,892,878,879, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=894,906,897,898, &end
#
#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=908,913,911,912, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=917,922,920,921, &end
#
#  chirality for residue 59 atoms:  CB SD HG2 HG3
 &rst iat=919,925,923,924, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=915,930,918,919, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=932,942,935,936, &end
#
#  chirality for residue 61 atoms:  CA CG1 CG2 HB
 &rst iat=946,950,954,949, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=944,958,947,948, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=962,967,965,966, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=960,972,963,964, &end
#
#  chirality for residue 63 atoms:  N C HA2 HA3
 &rst iat=974,979,977,978, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=983,988,986,987, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=985,991,989,990, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=988,994,992,993, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=981,1003,984,985, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1007,1012,1010,1011, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1005,1024,1008,1009, &end
#
#  chirality for residue 66 atoms:  CA CG2 OG1 HB
 &rst iat=1028,1032,1036,1031, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1026,1038,1029,1030, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1040,1048,1043,1044, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1052,1057,1055,1056, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1050,1060,1053,1054, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1062,1067,1065,1066, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1071,1076,1074,1075, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1073,1079,1077,1078, &end
#
#  chirality for residue 70 atoms:  CD NZ HE2 HE3
 &rst iat=1079,1085,1083,1084, &end
#
#  chirality for residue 70 atoms:  CG CE HD2 HD3
 &rst iat=1076,1082,1080,1081, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1069,1089,1072,1073, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1093,1098,1096,1097, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1095,1101,1099,1100, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1091,1104,1094,1095, &end
#
#  chirality for residue 72 atoms:  CA CG1 CG2 HB
 &rst iat=1108,1112,1116,1111, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1106,1120,1109,1110, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1124,1129,1127,1128, &end
#
#  chirality for residue 73 atoms:  CB CD1 CD2 HG
 &rst iat=1126,1131,1135,1130, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1122,1139,1125,1126, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1143,1148,1146,1147, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=1145,1151,1149,1150, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1141,1154,1144,1145, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1158,1163,1161,1162, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1156,1175,1159,1160, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1179,1184,1182,1183, &end
#
#  chirality for residue 76 atoms:  CB CD1 CD2 HG
 &rst iat=1181,1186,1190,1185, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1177,1194,1180,1181, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1196,1201,1199,1200, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1205,1210,1208,1209, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1203,1215,1206,1207, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1227,1221,1225,1226, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1224,1218,1222,1223, &end
#
#  chirality for residue 79 atoms:  CG N HD2 HD3
 &rst iat=1221,1217,1219,1220, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1217,1229,1228,1224, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1231,1239,1234,1235, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1241,1253,1244,1245, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1257,1262,1260,1261, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1255,1274,1258,1259, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1286,1280,1284,1285, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1283,1277,1281,1282, &end
#
#  chirality for residue 83 atoms:  CG N HD2 HD3
 &rst iat=1280,1276,1278,1279, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1276,1288,1287,1283, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1292,1296,1300,1295, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1290,1304,1293,1294, &end
#
#  chirality for residue 85 atoms:  CA OG HB2 HB3
 &rst iat=1308,1313,1311,1312, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1306,1315,1309,1310, &end
#
#  chirality for residue 86 atoms:  CA CG2 CG1 HB
 &rst iat=1319,1323,1327,1322, &end
#
#  chirality for residue 86 atoms:  CB CD1 HG12 HG13
 &rst iat=1321,1330,1328,1329, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1317,1334,1320,1321, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1338,1343,1341,1342, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1340,1346,1344,1345, &end
#
#  chirality for residue 87 atoms:  CG NE HD2 HD3
 &rst iat=1343,1349,1347,1348, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1336,1358,1339,1340, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1362,1367,1365,1366, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1360,1378,1363,1364, &end
#
#  chirality for residue 89 atoms:  N C HA2 HA3
 &rst iat=1380,1385,1383,1384, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1389,1394,1392,1393, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1391,1397,1395,1396, &end
#
#  chirality for residue 90 atoms:  CG NE HD2 HD3
 &rst iat=1394,1400,1398,1399, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1387,1409,1390,1391, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1421,1415,1419,1420, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1418,1412,1416,1417, &end
#
#  chirality for residue 91 atoms:  CG N HD2 HD3
 &rst iat=1415,1411,1413,1414, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1411,1423,1422,1418, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1427,1432,1430,1431, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1429,1435,1433,1434, &end
#
#  chirality for residue 92 atoms:  CG NE HD2 HD3
 &rst iat=1432,1438,1436,1437, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1425,1447,1428,1429, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1451,1456,1454,1455, &end
#
#  chirality for residue 93 atoms:  CB CD1 CD2 HG
 &rst iat=1453,1458,1462,1457, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1449,1466,1452,1453, &end
#
#  chirality for residue 94 atoms:  CA CG2 OG1 HB
 &rst iat=1470,1474,1478,1473, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1468,1480,1471,1472, &end
#
#  chirality for residue 95 atoms:  CA OG HB2 HB3
 &rst iat=1484,1489,1487,1488, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1482,1491,1485,1486, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1495,1500,1498,1499, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1493,1505,1496,1497, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=29,27,25,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=46,44,42,29, &end
#
#  trans-omega constraint for residue 5
 &rst iat=63,61,59,46, &end
#
#  trans-omega constraint for residue 6
 &rst iat=80,78,76,63, &end
#
#  trans-omega constraint for residue 7
 &rst iat=97,95,93,80, &end
#
#  trans-omega constraint for residue 8
 &rst iat=114,112,110,97, &end
#
#  trans-omega constraint for residue 9
 &rst iat=131,129,127,114, &end
#
#  trans-omega constraint for residue 10
 &rst iat=150,148,146,131, &end
#
#  trans-omega constraint for residue 11
 &rst iat=162,160,158,150, &end
#
#  trans-omega constraint for residue 12
 &rst iat=173,171,169,162, &end
#
#  trans-omega constraint for residue 13
 &rst iat=194,192,190,173, &end
#
#  trans-omega constraint for residue 14
 &rst iat=212,202,200,194, &end
#
#  trans-omega constraint for residue 15
 &rst iat=218,216,214,212, &end
#
#  trans-omega constraint for residue 16
 &rst iat=242,240,238,218, &end
#
#  trans-omega constraint for residue 17
 &rst iat=252,250,248,242, &end
#
#  trans-omega constraint for residue 18
 &rst iat=267,265,263,252, &end
#
#  trans-omega constraint for residue 19
 &rst iat=277,275,273,267, &end
#
#  trans-omega constraint for residue 20
 &rst iat=292,290,288,277, &end
#
#  trans-omega constraint for residue 21
 &rst iat=314,312,310,292, &end
#
#  trans-omega constraint for residue 22
 &rst iat=328,326,324,314, &end
#
#  trans-omega constraint for residue 23
 &rst iat=348,346,344,328, &end
#
#  trans-omega constraint for residue 24
 &rst iat=359,357,355,348, &end
#
#  trans-omega constraint for residue 26
 &rst iat=394,392,390,388, &end
#
#  trans-omega constraint for residue 27
 &rst iat=413,411,409,394, &end
#
#  trans-omega constraint for residue 28
 &rst iat=425,423,421,413, &end
#
#  trans-omega constraint for residue 29
 &rst iat=444,442,440,425, &end
#
#  trans-omega constraint for residue 30
 &rst iat=463,461,459,444, &end
#
#  trans-omega constraint for residue 31
 &rst iat=482,480,478,463, &end
#
#  trans-omega constraint for residue 32
 &rst iat=504,502,500,482, &end
#
#  trans-omega constraint for residue 33
 &rst iat=523,521,519,504, &end
#
#  trans-omega constraint for residue 34
 &rst iat=540,538,536,523, &end
#
#  trans-omega constraint for residue 35
 &rst iat=552,550,548,540, &end
#
#  trans-omega constraint for residue 36
 &rst iat=567,565,563,552, &end
#
#  trans-omega constraint for residue 37
 &rst iat=591,589,587,567, &end
#
#  trans-omega constraint for residue 38
 &rst iat=607,605,603,591, &end
#
#  trans-omega constraint for residue 39
 &rst iat=626,624,622,607, &end
#
#  trans-omega constraint for residue 40
 &rst iat=642,640,638,626, &end
#
#  trans-omega constraint for residue 41
 &rst iat=652,650,648,642, &end
#
#  trans-omega constraint for residue 42
 &rst iat=672,670,668,652, &end
#
#  trans-omega constraint for residue 43
 &rst iat=679,677,675,672, &end
#
#  trans-omega constraint for residue 44
 &rst iat=696,694,692,679, &end
#
#  trans-omega constraint for residue 45
 &rst iat=720,718,716,696, &end
#
#  trans-omega constraint for residue 46
 &rst iat=732,730,728,720, &end
#
#  trans-omega constraint for residue 47
 &rst iat=739,737,735,732, &end
#
#  trans-omega constraint for residue 48
 &rst iat=758,756,754,739, &end
#
#  trans-omega constraint for residue 49
 &rst iat=782,780,778,758, &end
#
#  trans-omega constraint for residue 50
 &rst iat=798,796,794,782, &end
#
#  trans-omega constraint for residue 51
 &rst iat=805,803,801,798, &end
#
#  trans-omega constraint for residue 52
 &rst iat=822,820,818,805, &end
#
#  trans-omega constraint for residue 53
 &rst iat=832,830,828,822, &end
#
#  trans-omega constraint for residue 54
 &rst iat=848,846,844,832, &end
#
#  trans-omega constraint for residue 55
 &rst iat=867,865,863,848, &end
#
#  trans-omega constraint for residue 56
 &rst iat=877,875,873,867, &end
#
#  trans-omega constraint for residue 57
 &rst iat=896,894,892,877, &end
#
#  trans-omega constraint for residue 58
 &rst iat=910,908,906,896, &end
#
#  trans-omega constraint for residue 59
 &rst iat=917,915,913,910, &end
#
#  trans-omega constraint for residue 60
 &rst iat=934,932,930,917, &end
#
#  trans-omega constraint for residue 61
 &rst iat=946,944,942,934, &end
#
#  trans-omega constraint for residue 62
 &rst iat=962,960,958,946, &end
#
#  trans-omega constraint for residue 63
 &rst iat=976,974,972,962, &end
#
#  trans-omega constraint for residue 64
 &rst iat=983,981,979,976, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1007,1005,1003,983, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1028,1026,1024,1007, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1042,1040,1038,1028, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1052,1050,1048,1042, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1064,1062,1060,1052, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1071,1069,1067,1064, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1093,1091,1089,1071, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1108,1106,1104,1093, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1124,1122,1120,1108, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1143,1141,1139,1124, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1158,1156,1154,1143, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1179,1177,1175,1158, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1198,1196,1194,1179, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1205,1203,1201,1198, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1227,1217,1215,1205, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1233,1231,1229,1227, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1243,1241,1239,1233, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1257,1255,1253,1243, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1286,1276,1274,1257, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1292,1290,1288,1286, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1308,1306,1304,1292, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1319,1317,1315,1308, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1338,1336,1334,1319, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1362,1360,1358,1338, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1382,1380,1378,1362, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1389,1387,1385,1382, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1421,1411,1409,1389, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1427,1425,1423,1421, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1451,1449,1447,1427, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1470,1468,1466,1451, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1484,1482,1480,1470, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1495,1493,1491,1484, &end
#  cis-omega constraint for residue 25
 &rst iat=388,378,376,359, 
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 200., rk3=200., &end
#
# 1507 atoms read from pdb file ../prm1.pdb.
# 21 THR PHI:  (20 LYS C)-(21 THR N)-(21 THR CA)-(21 THR C) -140.4 -70.0
 &rst     iat =   310,   312,   314,   324,
   r1 = -141.4, r2 = -140.4, r3 = -70.0, r4 = -69.0,
   rk2 =  100.0, rk3 = 100.0,    &end

# 21 THR PSI:  (21 THR N)-(21 THR CA)-(21 THR C)-(22 PHE N) 117.0 142.1
 &rst     iat =   312,   314,   324,   326,
   r1 = 116.0, r2 = 117.0, r3 = 142.1, r4 = 143.1,
 &end

# 22 PHE PHI:  (21 THR C)-(22 PHE N)-(22 PHE CA)-(22 PHE C) -157.5 -82.8
 &rst     iat =   324,   326,   328,   344,
   r1 = -158.5, r2 = -157.5, r3 = -82.8, r4 = -81.8,
 &end

# 22 PHE PSI:  (22 PHE N)-(22 PHE CA)-(22 PHE C)-(23 SER N) 111.3 182.8
 &rst     iat =   326,   328,   344,   346,
   r1 = 110.3, r2 = 111.3, r3 = 182.8, r4 = 183.8,
 &end

# 23 SER PHI:  (22 PHE C)-(23 SER N)-(23 SER CA)-(23 SER C) -170.8 -50.6
 &rst     iat =   344,   346,   348,   355,
   r1 = -171.8, r2 = -170.8, r3 = -50.6, r4 = -49.6,
 &end

# 23 SER PSI:  (23 SER N)-(23 SER CA)-(23 SER C)-(24 TYR N) 116.1 174.7
 &rst     iat =   346,   348,   355,   357,
   r1 = 115.1, r2 = 116.1, r3 = 174.7, r4 = 175.7,
 &end

# 24 TYR PHI:  (23 SER C)-(24 TYR N)-(24 TYR CA)-(24 TYR C) -161.3 -47.9
 &rst     iat =   355,   357,   359,   376,
   r1 = -162.3, r2 = -161.3, r3 = -47.9, r4 = -46.9,
 &end

# 24 TYR PSI:  (24 TYR N)-(24 TYR CA)-(24 TYR C)-(25 PRO N) 113.5 181.1
 &rst     iat =   357,   359,   376,   378,
   r1 = 112.5, r2 = 113.5, r3 = 181.1, r4 = 182.1,
 &end

# 30 LEU PHI:  (29 LEU C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -143.4 -70.2
 &rst     iat =   459,   461,   463,   478,
   r1 = -144.4, r2 = -143.4, r3 = -70.2, r4 = -69.2,
 &end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 LYS N) 107.6 155.1
 &rst     iat =   461,   463,   478,   480,
   r1 = 106.6, r2 = 107.6, r3 = 155.1, r4 = 156.1,
 &end

# 31 LYS PHI:  (30 LEU C)-(31 LYS N)-(31 LYS CA)-(31 LYS C) -164.1 -117.8
 &rst     iat =   478,   480,   482,   500,
   r1 = -165.1, r2 = -164.1, r3 = -117.8, r4 = -116.8,
 &end

# 31 LYS PSI:  (31 LYS N)-(31 LYS CA)-(31 LYS C)-(32 LEU N) 139.7 172.0
 &rst     iat =   480,   482,   500,   502,
   r1 = 138.7, r2 = 139.7, r3 = 172.0, r4 = 173.0,
 &end

# 32 LEU PHI:  (31 LYS C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -118.8 -71.8
 &rst     iat =   500,   502,   504,   519,
   r1 = -119.8, r2 = -118.8, r3 = -71.8, r4 = -70.8,
 &end

# 32 LEU PSI:  (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 HIS N)  99.4 139.0
 &rst     iat =   502,   504,   519,   521,
   r1 =  98.4, r2 =  99.4, r3 = 139.0, r4 = 140.0,
 &end

# 33 HIS PHI:  (32 LEU C)-(33 HIS N)-(33 HIS CA)-(33 HIS C) -177.5 -48.1
 &rst     iat =   519,   521,   523,   536,
   r1 = -178.5, r2 = -177.5, r3 = -48.1, r4 = -47.1,
 &end

# 33 HIS PSI:  (33 HIS N)-(33 HIS CA)-(33 HIS C)-(34 ASP N) 104.3 144.0
 &rst     iat =   521,   523,   536,   538,
   r1 = 103.3, r2 = 104.3, r3 = 144.0, r4 = 145.0,
 &end

# 34 ASP PHI:  (33 HIS C)-(34 ASP N)-(34 ASP CA)-(34 ASP C)  42.2  62.2
 &rst     iat =   536,   538,   540,   548,
   r1 =  41.2, r2 =  42.2, r3 =  62.2, r4 =  63.2,
 &end

# 34 ASP PSI:  (34 ASP N)-(34 ASP CA)-(34 ASP C)-(35 GLU N)  33.0  56.5
 &rst     iat =   538,   540,   548,   550,
   r1 =  32.0, r2 =  33.0, r3 =  56.5, r4 =  57.5,
 &end

# 38 LEU PHI:  (37 VAL C)-(38 LEU N)-(38 LEU CA)-(38 LEU C) -159.5 -82.5
 &rst     iat =   603,   605,   607,   622,
   r1 = -160.5, r2 = -159.5, r3 = -82.5, r4 = -81.5,
 &end

# 38 LEU PSI:  (38 LEU N)-(38 LEU CA)-(38 LEU C)-(39 VAL N) 141.1 178.6
 &rst     iat =   605,   607,   622,   624,
   r1 = 140.1, r2 = 141.1, r3 = 178.6, r4 = 179.6,
 &end

# 50 GLY PHI:  (49 VAL C)-(50 GLY N)-(50 GLY CA)-(50 GLY C)  85.1 105.1
 &rst     iat =   794,   796,   798,   801,
   r1 =  84.1, r2 =  85.1, r3 = 105.1, r4 = 106.1,
 &end

# 50 GLY PSI:  (50 GLY N)-(50 GLY CA)-(50 GLY C)-(51 HIS N) -27.9   0.4
 &rst     iat =   796,   798,   801,   803,
   r1 = -28.9, r2 = -27.9, r3 =   0.4, r4 =   1.4,
 &end

# 52 ALA PHI:  (51 HIS C)-(52 ALA N)-(52 ALA CA)-(52 ALA C) -158.3 -85.1
 &rst     iat =   818,   820,   822,   828,
   r1 = -159.3, r2 = -158.3, r3 = -85.1, r4 = -84.1,
 &end

# 52 ALA PSI:  (52 ALA N)-(52 ALA CA)-(52 ALA C)-(53 VAL N) 113.3 188.2
 &rst     iat =   820,   822,   828,   830,
   r1 = 112.3, r2 = 113.3, r3 = 188.2, r4 = 189.2,
 &end

# 55 ALA PHI:  (54 LEU C)-(55 ALA N)-(55 ALA CA)-(55 ALA C) -211.3 -69.5
 &rst     iat =   863,   865,   867,   873,
   r1 = -212.3, r2 = -211.3, r3 = -69.5, r4 = -68.5,
 &end

# 55 ALA PSI:  (55 ALA N)-(55 ALA CA)-(55 ALA C)-(56 ILE N) 133.2 168.6
 &rst     iat =   865,   867,   873,   875,
   r1 = 132.2, r2 = 133.2, r3 = 168.6, r4 = 169.6,
 &end

# 56 ILE PHI:  (55 ALA C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -144.8 -93.0
 &rst     iat =   873,   875,   877,   892,
   r1 = -145.8, r2 = -144.8, r3 = -93.0, r4 = -92.0,
 &end

# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 ASN N) 100.1 162.4
 &rst     iat =   875,   877,   892,   894,
   r1 =  99.1, r2 = 100.1, r3 = 162.4, r4 = 163.4,
 &end

# 58 GLY PHI:  (57 ASN C)-(58 GLY N)-(58 GLY CA)-(58 GLY C)  63.0 101.3
 &rst     iat =   906,   908,   910,   913,
   r1 =  62.0, r2 =  63.0, r3 = 101.3, r4 = 102.3,
 &end

# 58 GLY PSI:  (58 GLY N)-(58 GLY CA)-(58 GLY C)-(59 MET N) -35.1  30.0
 &rst     iat =   908,   910,   913,   915,
   r1 = -36.1, r2 = -35.1, r3 =  30.0, r4 =  31.0,
 &end

# 59 MET PHI:  (58 GLY C)-(59 MET N)-(59 MET CA)-(59 MET C) -129.7 -66.6
 &rst     iat =   913,   915,   917,   930,
   r1 = -130.7, r2 = -129.7, r3 = -66.6, r4 = -65.6,
 &end

# 59 MET PSI:  (59 MET N)-(59 MET CA)-(59 MET C)-(60 ASP N)  98.3 175.0
 &rst     iat =   915,   917,   930,   932,
   r1 =  97.3, r2 =  98.3, r3 = 175.0, r4 = 176.0,
 &end

# 65 TYR PHI:  (64 ARG C)-(65 TYR N)-(65 TYR CA)-(65 TYR C) -153.6 -87.3
 &rst     iat =  1003,  1005,  1007,  1024,
   r1 = -154.6, r2 = -153.6, r3 = -87.3, r4 = -86.3,
 &end

# 65 TYR PSI:  (65 TYR N)-(65 TYR CA)-(65 TYR C)-(66 THR N) 118.2 188.9
 &rst     iat =  1005,  1007,  1024,  1026,
   r1 = 117.2, r2 = 118.2, r3 = 188.9, r4 = 189.9,
 &end

# 66 THR PHI:  (65 TYR C)-(66 THR N)-(66 THR CA)-(66 THR C) -112.1 -55.3
 &rst     iat =  1024,  1026,  1028,  1038,
   r1 = -113.1, r2 = -112.1, r3 = -55.3, r4 = -54.3,
 &end

# 66 THR PSI:  (66 THR N)-(66 THR CA)-(66 THR C)-(67 ALA N) 153.5 183.9
 &rst     iat =  1026,  1028,  1038,  1040,
   r1 = 152.5, r2 = 153.5, r3 = 183.9, r4 = 184.9,
 &end

# 67 ALA PHI:  (66 THR C)-(67 ALA N)-(67 ALA CA)-(67 ALA C) -73.8 -49.6
 &rst     iat =  1038,  1040,  1042,  1048,
   r1 = -74.8, r2 = -73.8, r3 = -49.6, r4 = -48.6,
 &end

# 67 ALA PSI:  (67 ALA N)-(67 ALA CA)-(67 ALA C)-(68 ASP N) -43.7   0.1
 &rst     iat =  1040,  1042,  1048,  1050,
   r1 = -44.7, r2 = -43.7, r3 =   0.1, r4 =   1.1,
 &end

# 71 GLU PHI:  (70 LYS C)-(71 GLU N)-(71 GLU CA)-(71 GLU C) -145.1 -30.3
 &rst     iat =  1089,  1091,  1093,  1104,
   r1 = -146.1, r2 = -145.1, r3 = -30.3, r4 = -29.3,
 &end

# 71 GLU PSI:  (71 GLU N)-(71 GLU CA)-(71 GLU C)-(72 VAL N)  97.6 185.2
 &rst     iat =  1091,  1093,  1104,  1106,
   r1 =  96.6, r2 =  97.6, r3 = 185.2, r4 = 186.2,
 &end

# 72 VAL PHI:  (71 GLU C)-(72 VAL N)-(72 VAL CA)-(72 VAL C) -72.9 -52.9
 &rst     iat =  1104,  1106,  1108,  1120,
   r1 = -73.9, r2 = -72.9, r3 = -52.9, r4 = -51.9,
 &end

# 72 VAL PSI:  (72 VAL N)-(72 VAL CA)-(72 VAL C)-(73 LEU N) -53.7 -33.7
 &rst     iat =  1106,  1108,  1120,  1122,
   r1 = -54.7, r2 = -53.7, r3 = -33.7, r4 = -32.7,
 &end

# 73 LEU PHI:  (72 VAL C)-(73 LEU N)-(73 LEU CA)-(73 LEU C) -73.4 -48.2
 &rst     iat =  1120,  1122,  1124,  1139,
   r1 = -74.4, r2 = -73.4, r3 = -48.2, r4 = -47.2,
 &end

# 73 LEU PSI:  (73 LEU N)-(73 LEU CA)-(73 LEU C)-(74 GLU N) -48.3 -28.3
 &rst     iat =  1122,  1124,  1139,  1141,
   r1 = -49.3, r2 = -48.3, r3 = -28.3, r4 = -27.3,
 &end

# 74 GLU PHI:  (73 LEU C)-(74 GLU N)-(74 GLU CA)-(74 GLU C) -74.3 -54.3
 &rst     iat =  1139,  1141,  1143,  1154,
   r1 = -75.3, r2 = -74.3, r3 = -54.3, r4 = -53.3,
 &end

# 74 GLU PSI:  (74 GLU N)-(74 GLU CA)-(74 GLU C)-(75 TYR N) -52.6 -23.4
 &rst     iat =  1141,  1143,  1154,  1156,
   r1 = -53.6, r2 = -52.6, r3 = -23.4, r4 = -22.4,
 &end

# 75 TYR PHI:  (74 GLU C)-(75 TYR N)-(75 TYR CA)-(75 TYR C) -84.2 -43.5
 &rst     iat =  1154,  1156,  1158,  1175,
   r1 = -85.2, r2 = -84.2, r3 = -43.5, r4 = -42.5,
 &end

# 75 TYR PSI:  (75 TYR N)-(75 TYR CA)-(75 TYR C)-(76 LEU N) -64.7 -21.1
 &rst     iat =  1156,  1158,  1175,  1177,
   r1 = -65.7, r2 = -64.7, r3 = -21.1, r4 = -20.1,
 &end

# 76 LEU PHI:  (75 TYR C)-(76 LEU N)-(76 LEU CA)-(76 LEU C) -110.2 -48.7
 &rst     iat =  1175,  1177,  1179,  1194,
   r1 = -111.2, r2 = -110.2, r3 = -48.7, r4 = -47.7,
 &end

# 76 LEU PSI:  (76 LEU N)-(76 LEU CA)-(76 LEU C)-(77 GLY N) -46.1  33.0
 &rst     iat =  1177,  1179,  1194,  1196,
   r1 = -47.1, r2 = -46.1, r3 =  33.0, r4 =  34.0,
 &end

# 80 ALA PHI:  (79 PRO C)-(80 ALA N)-(80 ALA CA)-(80 ALA C) -81.6 -53.5
 &rst     iat =  1229,  1231,  1233,  1239,
   r1 = -82.6, r2 = -81.6, r3 = -53.5, r4 = -52.5,
 &end

# 80 ALA PSI:  (80 ALA N)-(80 ALA CA)-(80 ALA C)-(81 ASN N) -51.4  -4.1
 &rst     iat =  1231,  1233,  1239,  1241,
   r1 = -52.4, r2 = -51.4, r3 =  -4.1, r4 =  -3.1,
 &end

# 84 VAL PHI:  (83 PRO C)-(84 VAL N)-(84 VAL CA)-(84 VAL C) -150.9 -107.4
 &rst     iat =  1288,  1290,  1292,  1304,
   r1 = -151.9, r2 = -150.9, r3 = -107.4, r4 = -106.4,
 &end

# 84 VAL PSI:  (84 VAL N)-(84 VAL CA)-(84 VAL C)-(85 SER N) 131.4 170.8
 &rst     iat =  1290,  1292,  1304,  1306,
   r1 = 130.4, r2 = 131.4, r3 = 170.8, r4 = 171.8,
 &end

# 85 SER PHI:  (84 VAL C)-(85 SER N)-(85 SER CA)-(85 SER C) -125.6 -84.9
 &rst     iat =  1304,  1306,  1308,  1315,
   r1 = -126.6, r2 = -125.6, r3 = -84.9, r4 = -83.9,
 &end

# 85 SER PSI:  (85 SER N)-(85 SER CA)-(85 SER C)-(86 ILE N)  92.7 158.6
 &rst     iat =  1306,  1308,  1315,  1317,
   r1 =  91.7, r2 =  92.7, r3 = 158.6, r4 = 159.6,
 &end

# 86 ILE PHI:  (85 SER C)-(86 ILE N)-(86 ILE CA)-(86 ILE C) -140.2 -105.0
 &rst     iat =  1315,  1317,  1319,  1334,
   r1 = -141.2, r2 = -140.2, r3 = -105.0, r4 = -104.0,
 &end

# 86 ILE PSI:  (86 ILE N)-(86 ILE CA)-(86 ILE C)-(87 ARG N)  91.3 163.6
 &rst     iat =  1317,  1319,  1334,  1336,
   r1 =  90.3, r2 =  91.3, r3 = 163.6, r4 = 164.6,
 &end

# 88 PHE PHI:  (87 ARG C)-(88 PHE N)-(88 PHE CA)-(88 PHE C) -165.0 -107.2
 &rst     iat =  1358,  1360,  1362,  1378,
   r1 = -166.0, r2 = -165.0, r3 = -107.2, r4 = -106.2,
 &end

# 88 PHE PSI:  (88 PHE N)-(88 PHE CA)-(88 PHE C)-(89 GLY N) 134.3 183.8
 &rst     iat =  1360,  1362,  1378,  1380,
   r1 = 133.3, r2 = 134.3, r3 = 183.8, r4 = 184.8,
 &end

# 90 ARG PHI:  (89 GLY C)-(90 ARG N)-(90 ARG CA)-(90 ARG C) -131.8 -58.9
 &rst     iat =  1385,  1387,  1389,  1409,
   r1 = -132.8, r2 = -131.8, r3 = -58.9, r4 = -57.9,
 &end

# 90 ARG PSI:  (90 ARG N)-(90 ARG CA)-(90 ARG C)-(91 PRO N)  67.3 186.7
 &rst     iat =  1387,  1389,  1409,  1411,
   r1 =  66.3, r2 =  67.3, r3 = 186.7, r4 = 187.7,
 &end

#
#  71 GLU- O      75 TYR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1157, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
#  71 GLU- O      75 TYR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1156, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 VAL  O      76 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1178, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  72 VAL  O      76 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  73 LEU  O      77 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1197, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  73 LEU  O      77 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 HIS  O      36 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 566, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  33 HIS  O      36 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 565, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 HIS  HN     36 ARG+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 588, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  33 HIS  N      36 ARG+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 LYS+ O      38 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 606, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31 LYS+ O      38 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 LYS+ HN     38 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 623, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31 LYS+ N      38 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 623, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62 ASN  O      65 TYR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1006, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  62 ASN  O      65 TYR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1005, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62 ASN  HN     65 TYR  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 961,1025, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  62 ASN  N      65 TYR  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 960,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57 ASN  HN     85 SER  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 895,1316, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  57 ASN  N      85 SER  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 894,1316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  55 ALA  O      87 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 874,1337, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  55 ALA  O      87 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 874,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  55 ALA  HN     87 ARG+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 866,1359, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  55 ALA  N      87 ARG+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 865,1359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  52 ALA  O      89 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 829,1381, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  52 ALA  O      89 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 829,1380, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  52 ALA  HN     89 GLY  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 821,1386, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  52 ALA  N      89 GLY  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 820,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56 ILE  O      59 MET  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 916, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56 ILE  O      59 MET  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 915, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56 ILE  HN     59 MET  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 931, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56 ILE  N      59 MET  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 931, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  54 LEU  O      61 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 945, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  54 LEU  O      61 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 944, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 PHE  HN     84 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 327,1305, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 PHE  N      84 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 326,1305, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 PHE  O      84 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1291, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 PHE  O      84 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64 ARG+ O      72 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1107, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  64 ARG+ O      72 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1106, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 ALA  HN           66 THR  HB          3.50    (#      0:25  Unique         2.15, 2.20 A)
 &rst
  ixpk= 0, nxpk= 25, iat=1041,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   68 ASP  HN           66 THR  HB          4.50    (#      1:25  Unique         2.57, 2.63 A)
 &rst
  ixpk= 1, nxpk= 25, iat=1051,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  MB           66 THR  HB          3.50    (#      2:25  Unique         3.78, 4.54 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1045,1046,1047,
 &end
#
#   66 THR  MG2          66 THR  HB          2.50    (#      3:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1033,1034,1035,
 &end
#
#    0 AMB  25-2:4       94 THR  HB          4.50    (#      4:25  Single Ambig)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,1473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1494,1469,
 &end
#
#   94 THR  MG2          94 THR  HB          2.50    (#      5:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,1473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1475,1476,1477,
 &end
#
#   95 SER  HN           94 THR  HB          4.50    (#      6:25  Unique         2.31, 3.52 A)
 &rst
  ixpk= 6, nxpk= 25, iat=1483,1473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 THR  HA           21 THR  HB          4.50    (#      9:25  Unique         2.57, 2.67 A)
 &rst
  ixpk= 9, nxpk= 25, iat= 315, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 THR  MG2          21 THR  HB          2.50    (#     11:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 319, 320, 321,
 &end
#
#   72 VAL  HN           72 VAL  HA          3.50    (#     12:25  Unique         2.77, 2.79 A)
 &rst
  ixpk= 12, nxpk= 25, iat=1107,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HN           72 VAL  HA          4.50    (#     13:25  Unique         3.12, 3.34 A)
 &rst
  ixpk= 13, nxpk= 25, iat=1157,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 TYR  HB-          72 VAL  HA          3.50    (#     14:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   72 VAL  HB           72 VAL  HA          3.50    (#     15:25  Unique         2.41, 2.97 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1111,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:16      72 VAL  HA          2.50    (#     16:25  Single Ambig)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,1033,1034,1035,
 &end
#
#   24 TYR  HN           23 SER  QB          2.50    (#     21:25  Unique         2.15, 2.86 A)
 &rst
  ixpk= 21, nxpk= 25, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 351, 352,
 &end
#
#   82 TYR  HD           79 PRO  HA          4.50    (#     25:25  Unique         2.15, 3.41 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1264,1273,
 &end
#
#    0 AMB  25-2:26      79 PRO  HA          3.50    (#     26:25  Single Ambig)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1266,1271, 368, 373,1251,1252,
 &end
#
#   24 TYR  HD           79 PRO  HA          5.50    (#     27:25  Unique         3.71, 6.61 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 366, 375,
 &end
#
#   79 PRO  HG+          79 PRO  HA          4.50    (#     28:25  Unique         3.81, 3.94 A)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1222,1223,
 &end
#
#   79 PRO  HB+          79 PRO  HA          3.50    (#     29:25  Unique         2.25, 2.49 A)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1225,1226,
 &end
#
#   79 PRO  HG-          79 PRO  HA          4.50    (#     30:25  Unique         3.81, 3.94 A)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1222,1223,
 &end
#
#   79 PRO  HB-          79 PRO  HA          2.50    (#     31:25  Unique         2.25, 2.49 A)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1225,1226,
 &end
#
#   50 GLY  HN           49 VAL  HA          2.50    (#     32:25  Unique         2.13, 2.35 A)
 &rst
  ixpk= 32, nxpk= 25, iat= 797, 783, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:33      49 VAL  HA          3.50    (#     33:25  Single Ambig)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 629, 685, 686,
 &end
#
#   49 VAL  HB           49 VAL  HA          3.50    (#     34:25  Unique         2.37, 2.59 A)
 &rst
  ixpk= 34, nxpk= 25, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  MGY          49 VAL  HA          3.50    (#     35:25  Unique         2.14, 4.00 A)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:36      49 VAL  HA          2.50    (#     36:25  Single Ambig)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   95 SER  HN           95 SER  QB          3.50    (#     38:25  Unique         2.46, 3.14 A)
 &rst
  ixpk= 38, nxpk= 25, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1487,1488,
 &end
#
#   57 ASN  HN           85 SER  HB+         4.50    (#     39:25  Unique         2.90, 3.78 A)
 &rst
  ixpk= 39, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   86 ILE  HN           85 SER  HB+         4.50    (#     40:25  Unique         2.91, 3.56 A)
 &rst
  ixpk= 40, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   57 ASN  HN           85 SER  HB-         4.50    (#     42:25  Unique         2.90, 3.78 A)
 &rst
  ixpk= 42, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   86 ILE  HN           85 SER  HB-         4.50    (#     43:25  Unique         2.91, 3.56 A)
 &rst
  ixpk= 43, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1311,1312,
 &end
#
#   85 SER  HN           85 SER  HB-         3.50    (#     44:25  Unique         2.47, 3.15 A)
 &rst
  ixpk= 44, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#   85 SER  HA           85 SER  HB-         3.50    (#     45:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 45, nxpk= 25, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#   57 ASN  HA           85 SER  HB-         3.50    (#     46:25  Unique         2.30, 3.44 A)
 &rst
  ixpk= 46, nxpk= 25, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#    0 AMB  25-2:49      85 SER  HB-         4.50    (#     49:25  Single Ambig)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 882, 883, 884,1331,1332,1333,
 igr2=1311,1312,
 &end
#
#   54 LEU  HN           53 VAL  HA          2.50    (#     51:25  Unique         2.18, 2.23 A)
 &rst
  ixpk= 51, nxpk= 25, iat= 847, 833, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   88 PHE  HA           53 VAL  HA          4.50    (#     52:25  Unique         2.14, 2.43 A)
 &rst
  ixpk= 52, nxpk= 25, iat=1363, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:53      53 VAL  HA          2.50    (#     53:25  Single Ambig)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
       861, 862,
 &end
#
#   53 VAL  MGY          53 VAL  HA          3.50    (#     54:25  Unique         2.45, 3.24 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 837, 838, 839, 841, 842, 843,
 &end
#
#   40 ALA  HN           39 VAL  HA          3.50    (#     55:25  Unique         2.10, 2.15 A)
 &rst
  ixpk= 55, nxpk= 25, iat= 641, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:56      39 VAL  HA          2.50    (#     56:25  Single Ambig)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 471, 472, 473, 475, 476, 477, 469, 631, 632, 633,
       635, 636, 637,
 &end
#
#    0 AMB  25-2:57      11 SER  QB          2.50    (#     57:25  Single Ambig)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 172, 161,
 igr2= 165, 166,
 &end
#
#   11 SER  HA           11 SER  QB          2.50    (#     59:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 59, nxpk= 25, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 165, 166,
 &end
#
#    0 AMB  25-2:61       0 AMB  25-1:61     3.50    (#     61:25  Double Ambig)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1426, 217,
 igr2=1422, 213,
 &end
#
#    0 AMB  25-2:62      83 PRO  HA          4.50    (#     62:25  Single Ambig)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 351, 352,1278,1279,
 &end
#
#   83 PRO  HD+          83 PRO  HA          4.50    (#     63:25  Unique         3.50, 3.82 A)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1278,1279,
 &end
#
#    0 AMB  25-2:64       0 AMB  25-1:64     3.50    (#     64:25  Double Ambig)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1413,1414,1413,1414, 204, 205, 204, 205,
 igr2=1422, 213,
 &end
#
#   14 PRO  HB+          14 PRO  HA          3.50    (#     66:25  Unique         2.27, 2.62 A)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 210, 211,
 &end
#
#    0 AMB  25-2:67       0 AMB  25-1:67     2.50    (#     67:25  Double Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1419,1420, 210, 211,1284,1285,
 igr2=1422, 213,1287,
 &end
#
#    0 AMB  25-2:68       0 AMB  25-1:68     3.50    (#     68:25  Double Ambig)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1419,1420,1284,1285,
 igr2=1422,1287,
 &end
#
#    0 AMB  25-2:69       0 AMB  25-1:69     4.50    (#     69:25  Double Ambig)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 613, 507, 508, 570, 571, 466, 467, 491, 492, 986,
       987,1454,1455,
 igr2= 592,1422,
 &end
#
#   52 ALA  MB           91 PRO  HA          3.50    (#     70:25  Unique         2.11, 3.10 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 825, 826, 827,
 &end
#
#    0 AMB  25-2:72      37 VAL  HA          3.50    (#     72:25  Single Ambig)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 481,
 &end
#
#   38 LEU  HN           37 VAL  HA          2.50    (#     73:25  Unique         2.07, 2.15 A)
 &rst
  ixpk= 73, nxpk= 25, iat= 606, 592, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   37 VAL  HN           37 VAL  HA          4.50    (#     74:25  Unique         2.92, 2.96 A)
 &rst
  ixpk= 74, nxpk= 25, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 LEU  HA           37 VAL  HA          5.50    (#     75:25  Unique         2.21, 2.36 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 505, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:76      37 VAL  HA          2.50    (#     76:25  Single Ambig)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602, 615, 616, 617, 619, 620, 621, 512, 513,
       514, 516, 517, 518,
 &end
#
#   75 TYR  HN           75 TYR  HA          3.50    (#     77:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 77, nxpk= 25, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HD2+         75 TYR  HA          4.50    (#     78:25  Unique         2.78, 3.89 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1251,1252,
 &end
#
#   75 TYR  HD           75 TYR  HA          3.50    (#     79:25  Unique         2.40, 3.48 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1165,1174,
 &end
#
#   81 ASN  HD2-         75 TYR  HA          4.50    (#     80:25  Unique         2.78, 3.89 A)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1251,1252,
 &end
#
#   75 TYR  HB+          75 TYR  HA          3.50    (#     81:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   75 TYR  HB-          75 TYR  HA          3.50    (#     82:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#    0 AMB  25-2:83      75 TYR  HA          4.50    (#     83:25  Single Ambig)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1149,1150,1146,1147,1246,1247,
 &end
#
#    0 AMB  25-2:84      75 TYR  HA          5.50    (#     84:25  Single Ambig)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#   24 TYR  HA           25 PRO  HA          3.50    (#     86:25  Unique         2.23, 2.61 A)
 &rst
  ixpk= 86, nxpk= 25, iat= 360, 389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:87      25 PRO  HA          3.50    (#     87:25  Single Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 386, 387, 383, 384,
 &end
#
#   95 SER  HN           94 THR  HA          3.50    (#     88:25  Unique         2.31, 3.03 A)
 &rst
  ixpk= 88, nxpk= 25, iat=1483,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  HN           94 THR  HA          3.50    (#     89:25  Unique         2.24, 2.84 A)
 &rst
  ixpk= 89, nxpk= 25, iat=1469,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  MG2          94 THR  HA          3.50    (#     90:25  Unique         2.35, 3.00 A)
 &rst
  ixpk= 90, nxpk= 25, iat=  -1,1471, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1475,1476,1477,
 &end
#
#   66 THR  HN           66 THR  HA          4.50    (#     92:25  Unique         2.89, 2.90 A)
 &rst
  ixpk= 92, nxpk= 25, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HN           66 THR  HA          3.50    (#     93:25  Unique         2.47, 2.51 A)
 &rst
  ixpk= 93, nxpk= 25, iat=1041,1029, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  HN           66 THR  HA          4.50    (#     94:25  Unique         3.10, 3.38 A)
 &rst
  ixpk= 94, nxpk= 25, iat= 961,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  MB           66 THR  HA          4.50    (#     95:25  Unique         4.71, 5.20 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045,1046,1047,
 &end
#
#    0 AMB  25-2:96      66 THR  HA          2.50    (#     96:25  Single Ambig)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
      1114,1115,1117,1118,1119,
 &end
#
#   61 VAL  HN           61 VAL  HA          3.50    (#     97:25  Unique         2.91, 2.95 A)
 &rst
  ixpk= 97, nxpk= 25, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HA           61 VAL  HA          3.50    (#     98:25  Unique         2.52, 2.60 A)
 &rst
  ixpk= 98, nxpk= 25, iat=1029, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  HN           61 VAL  HA          2.50    (#     99:25  Unique         2.07, 2.18 A)
 &rst
  ixpk= 99, nxpk= 25, iat= 961, 947, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   61 VAL  HB           61 VAL  HA          3.50    (#    100:25  Unique         2.40, 2.42 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 949, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:101     61 VAL  HA          2.50    (#    101:25  Single Ambig)
 &rst
  ixpk= 101, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   57 ASN  HN           56 ILE  HA          2.50    (#    102:25  Unique         2.15, 2.20 A)
 &rst
  ixpk= 102, nxpk= 25, iat= 895, 878, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   56 ILE  HG1+         56 ILE  HA          3.50    (#    103:25  Unique         2.53, 2.87 A)
 &rst
  ixpk= 103, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 886, 887,
 &end
#
#    0 AMB  25-2:104     56 ILE  HA          2.50    (#    104:25  Single Ambig)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr1= 882, 883, 884,1328,1329,
 &end
#
#   56 ILE  HN           56 ILE  HA          4.50    (#    105:25  Unique         2.94, 2.96 A)
 &rst
  ixpk= 105, nxpk= 25, iat= 876, 878, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 PHE  HD           41 PHE  HA          3.50    (#    106:25  Unique         2.42, 3.45 A)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 659, 667,
 &end
#
#    0 AMB  25-2:107     41 PHE  HA          2.50    (#    107:25  Single Ambig)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 671, 651,
 &end
#
#   41 PHE  HB+          41 PHE  HA          2.50    (#    108:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 655, 656,
 &end
#
#   41 PHE  HB-          41 PHE  HA          3.50    (#    109:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 655, 656,
 &end
#
#    0 AMB  25-2:110     41 PHE  HA          2.50    (#    110:25  Single Ambig)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   75 TYR  HN           74 GLU  HA          4.50    (#    111:25  Unique         3.57, 3.58 A)
 &rst
  ixpk= 111, nxpk= 25, iat=1157,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 GLY  HN           74 GLU  HA          4.50    (#    112:25  Unique         3.17, 3.36 A)
 &rst
  ixpk= 112, nxpk= 25, iat=1197,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 GLU  HN           74 GLU  HA          3.50    (#    113:25  Unique         2.84, 2.91 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1142,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 GLU  HG+          74 GLU  HA          3.50    (#    114:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1149,1150,
 &end
#
#    0 AMB  25-2:115     74 GLU  HA          3.50    (#    115:25  Single Ambig)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,1146,1147,
 &end
#
#    0 AMB  25-2:116     74 GLU  HA          5.50    (#    116:25  Single Ambig)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,1099,1100,
 &end
#
#    0 AMB  25-2:117     11 SER  HA          3.50    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 172, 161,
 &end
#
#   11 SER  QB           11 SER  HA          2.50    (#    118:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 165, 166,
 &end
#
#   12 TYR  HB+          11 SER  HA          5.50    (#    123:25  Unique         4.28, 5.41 A)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 176, 177,
 &end
#
#    0 AMB  25-2:124     73 LEU  HA          3.50    (#    124:25  Single Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1130,1182,1183,
 &end
#
#   73 LEU  HN           73 LEU  HA          3.50    (#    125:25  Unique         2.77, 2.87 A)
 &rst
  ixpk= 125, nxpk= 25, iat=1123,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:126     73 LEU  HA          3.50    (#    126:25  Single Ambig)
 &rst
  ixpk= 126, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1127,1128,1182,1183,
 &end
#
#   73 LEU  HB-          73 LEU  HA          3.50    (#    127:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1127,1128,
 &end
#
#    0 AMB  25-2:128     73 LEU  HA          2.50    (#    128:25  Single Ambig)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#   96 ASN  HN           95 SER  HA          3.50    (#    129:25  Unique         2.20, 2.97 A)
 &rst
  ixpk= 129, nxpk= 25, iat=1494,1485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 SER  QB           95 SER  HA          2.50    (#    130:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1487,1488,
 &end
#
#   95 SER  HN           95 SER  HA          4.50    (#    131:25  Unique         2.22, 2.83 A)
 &rst
  ixpk= 131, nxpk= 25, iat=1483,1485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLU  HN           71 GLU  HA          3.50    (#    132:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 132, nxpk= 25, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 VAL  HN           71 GLU  HA          2.50    (#    133:25  Unique         2.14, 2.18 A)
 &rst
  ixpk= 133, nxpk= 25, iat=1107,1094, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   65 TYR  HA           71 GLU  HA          3.50    (#    134:25  Unique         2.26, 2.40 A)
 &rst
  ixpk= 134, nxpk= 25, iat=1008,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HG+          71 GLU  HA          3.50    (#    135:25  Unique         2.29, 2.80 A)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1099,1100,
 &end
#
#   71 GLU  HB+          71 GLU  HA          3.50    (#    136:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1096,1097,
 &end
#
#    0 AMB  25-2:137     71 GLU  HA          4.50    (#    137:25  Single Ambig)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1111,1074,1075,
 &end
#
#    0 AMB  25-2:138     71 GLU  HA          3.50    (#    138:25  Single Ambig)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,1033,1034,1035, 512, 513, 514, 516, 517,
       518,
 &end
#
#   12 TYR  HN           12 TYR  HA          3.50    (#    139:25  Unique         2.21, 2.86 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TYR  HB+          12 TYR  HA          2.50    (#    140:25  Unique         2.28, 2.50 A)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 176, 177,
 &end
#
#   13 ALA  HN           12 TYR  HA          3.50    (#    142:25  Unique         2.20, 2.87 A)
 &rst
  ixpk= 142, nxpk= 25, iat= 193, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TYR  HD           12 TYR  HA          4.50    (#    143:25  Unique         2.68, 4.13 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 180, 189,
 &end
#
#   65 TYR  HD           71 GLU  HA          3.50    (#    144:25  Unique         2.10, 4.04 A)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1014,1023,
 &end
#
#    0 AMB  25-2:145     71 GLU  HA          3.50    (#    145:25  Single Ambig)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1099,1100,1096,1097,
 &end
#
#   35 GLU  HN           35 GLU  HA          2.50    (#    147:25  Unique         2.19, 2.23 A)
 &rst
  ixpk= 147, nxpk= 25, iat= 551, 553, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   36 ARG  HN           35 GLU  HA          4.50    (#    148:25  Unique         2.81, 3.02 A)
 &rst
  ixpk= 148, nxpk= 25, iat= 566, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:149     35 GLU  HA          3.50    (#    149:25  Single Ambig)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#   32 LEU  MDX          35 GLU  HA          3.50    (#    150:25  Unique         2.21, 4.07 A)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:151     35 GLU  HA          3.50    (#    151:25  Single Ambig)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#   52 ALA  HN           51 HIS  HA          3.50    (#    152:25  Unique         2.22, 2.36 A)
 &rst
  ixpk= 152, nxpk= 25, iat= 821, 806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:153     82 TYR  HA          3.50    (#    153:25  Single Ambig)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1264,1273,1256,
 &end
#
#   82 TYR  HB-          82 TYR  HA          3.50    (#    155:25  Unique         2.57, 2.85 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1260,1261,
 &end
#
#   84 VAL  MGY          82 TYR  HA          3.50    (#    156:25  Unique         3.40, 5.14 A)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   33 HIS  HN           33 HIS  HA          3.50    (#    157:25  Unique         2.88, 2.92 A)
 &rst
  ixpk= 157, nxpk= 25, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 ASP  HN           33 HIS  HA          2.50    (#    158:25  Unique         2.19, 2.27 A)
 &rst
  ixpk= 158, nxpk= 25, iat= 539, 524, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   33 HIS  HB-          33 HIS  HA          3.50    (#    159:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#   17 GLU  HN           17 GLU  HA          3.50    (#    161:25  Unique         2.20, 2.76 A)
 &rst
  ixpk= 161, nxpk= 25, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  QG           17 GLU  HA          3.50    (#    162:25  Unique         2.28, 3.13 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#   17 GLU  HB+          17 GLU  HA          3.50    (#    164:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 255, 256,
 &end
#
#   17 GLU  HB-          17 GLU  HA          3.50    (#    165:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 165, nxpk= 25, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 255, 256,
 &end
#
#    8 HIS  HN            7 HIS  HA          2.50    (#    166:25  Unique         2.15, 2.38 A)
 &rst
  ixpk= 166, nxpk= 25, iat= 113,  98, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:167      0 AMB  25-1:167    4.50    (#    167:25  Double Ambig)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1436,1437, 227, 228,
 igr2=1428, 219,
 &end
#
#   92 ARG  HB+          92 ARG  HA          3.50    (#    168:25  Unique         2.25, 2.74 A)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1430,1431,
 &end
#
#    0 AMB  25-2:169     92 ARG  HA          3.50    (#    169:25  Single Ambig)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1450,1426,
 &end
#
#   61 VAL  HN           60 ASP  HA          2.50    (#    174:25  Unique         2.21, 2.26 A)
 &rst
  ixpk= 174, nxpk= 25, iat= 945, 935, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   60 ASP  HN           60 ASP  HA          3.50    (#    175:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASP  HB+          60 ASP  HA          3.50    (#    176:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#   60 ASP  HB-          60 ASP  HA          3.50    (#    177:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#    0 AMB  25-2:180      0 AMB  25-1:180    2.50    (#    180:25  Double Ambig)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 100, 101,  83,  84,
 igr2=  98,  81,
 &end
#
#    9 LEU  HN            8 HIS  HA          3.50    (#    182:25  Unique         2.23, 2.82 A)
 &rst
  ixpk= 182, nxpk= 25, iat= 130, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:184      0 AMB  25-1:184    2.50    (#    184:25  Double Ambig)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 117, 118,1185,
 igr2= 115,1180,
 &end
#
#   34 ASP  HN           34 ASP  HA          2.50    (#    189:25  Unique         2.24, 2.26 A)
 &rst
  ixpk= 189, nxpk= 25, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:190      0 AMB  25-1:190    3.50    (#    190:25  Double Ambig)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 551, 982,
 igr2= 541, 984,
 &end
#
#   33 HIS  HA           34 ASP  HA          4.50    (#    191:25  Unique         4.36, 4.40 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 ASP  HB+          34 ASP  HA          3.50    (#    192:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 192, nxpk= 25, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 543, 544,
 &end
#
#    0 AMB  25-2:193     34 ASP  HA          3.50    (#    193:25  Single Ambig)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 543, 544, 558, 559,
 &end
#
#    0 AMB  25-2:194     34 ASP  HA          4.50    (#    194:25  Single Ambig)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 558, 559, 555, 556,
 &end
#
#   25 PRO  HA           24 TYR  HA          3.50    (#    195:25  Unique         2.23, 2.61 A)
 &rst
  ixpk= 195, nxpk= 25, iat= 389, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ALA  MB           60 ASP  HA          2.50    (#    196:25  Unique         2.22, 3.09 A)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  25-2:198      0 AMB  25-1:198    2.50    (#    198:25  Double Ambig)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1395,1396, 134, 135,
 igr2= 219, 132,
 &end
#
#   35 GLU  HA            0 AMB  25-1:200    5.50    (#    200:25  Single Ambig)
 &rst
  ixpk= 200, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 541, 984,
 &end
#
#   64 ARG  HB+          64 ARG  HA          2.50    (#    201:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 986, 987,
 &end
#
#   64 ARG  HB-          64 ARG  HA          3.50    (#    202:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 986, 987,
 &end
#
#    0 AMB  25-2:203     64 ARG  HA          3.50    (#    203:25  Single Ambig)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:204     54 LEU  HA          2.50    (#    204:25  Single Ambig)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 856, 857, 858, 860, 861, 862, 951, 952, 953, 955,
       956, 957, 951, 952, 953, 955, 956, 957,
 &end
#
#   94 THR  HN           93 LEU  HA          3.50    (#    205:25  Unique         2.15, 2.93 A)
 &rst
  ixpk= 205, nxpk= 25, iat=1469,1452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HD           76 LEU  HA          4.50    (#    206:25  Unique         3.30, 5.14 A)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   93 LEU  QB           93 LEU  HA          2.50    (#    207:25  Unique         2.31, 2.74 A)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1454,1455,
 &end
#
#   76 LEU  MDX          76 LEU  HA          3.50    (#    208:25  Unique         2.17, 3.84 A)
 &rst
  ixpk= 208, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:210     76 LEU  HA          3.50    (#    210:25  Single Ambig)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252, 368, 373,
 &end
#
#   10 ASP  HN            9 LEU  HA          2.50    (#    211:25  Unique         2.13, 2.32 A)
 &rst
  ixpk= 211, nxpk= 25, iat= 149, 132, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:212      0 AMB  25-1:212    3.50    (#    212:25  Double Ambig)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
       144, 145, 787, 788, 789, 791, 792, 793, 787, 788,
       789, 791, 792, 793,
 igr2= 132, 680,
 &end
#
#   67 ALA  HN           67 ALA  HA          3.50    (#    213:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 213, nxpk= 25, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 ASP  HN           67 ALA  HA          3.50    (#    214:25  Unique         3.56, 3.56 A)
 &rst
  ixpk= 214, nxpk= 25, iat=1051,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  MB           67 ALA  HA          2.50    (#    215:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1045,1046,1047,
 &end
#
#   96 ASN  QB           96 ASN  HA          3.50    (#    217:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1499,
 &end
#
#   71 GLU  HN           70 LYS  HA          2.50    (#    218:25  Unique         2.28, 2.32 A)
 &rst
  ixpk= 218, nxpk= 25, iat=1092,1072, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   70 LYS  HN           70 LYS  HA          3.50    (#    219:25  Unique         2.85, 2.90 A)
 &rst
  ixpk= 219, nxpk= 25, iat=1070,1072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GLY  HN           70 LYS  HA          5.50    (#    220:25  Unique         4.80, 4.85 A)
 &rst
  ixpk= 220, nxpk= 25, iat=1063,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:222      0 AMB  25-1:222    2.50    (#    222:25  Double Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 462, 503,
 igr2= 445, 483,
 &end
#
#   30 LEU  HA            0 AMB  25-1:223    4.50    (#    223:25  Single Ambig)
 &rst
  ixpk= 223, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 483,
 &end
#
#    0 AMB  25-2:224      0 AMB  25-1:224    2.50    (#    224:25  Double Ambig)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1080,1081, 485, 486, 447, 448,
 igr2=1072, 483, 445,
 &end
#
#   73 LEU  MDX          31 LYS  HA          4.50    (#    225:25  Unique         2.60, 4.06 A)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  25-2:226      0 AMB  25-1:226    3.50    (#    226:25  Double Ambig)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1392,1393,1074,1075, 447, 448,
 igr2=1390,1072, 445,
 &end
#
#   10 ASP  HN           10 ASP  HA          3.50    (#    228:25  Unique         2.24, 2.85 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 149, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  HN           10 ASP  HA          3.50    (#    229:25  Unique         2.18, 2.92 A)
 &rst
  ixpk= 229, nxpk= 25, iat= 161, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASP  QB           10 ASP  HA          2.50    (#    230:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 153, 154,
 &end
#
#   90 ARG  HN           90 ARG  HA          3.50    (#    232:25  Unique         2.83, 2.90 A)
 &rst
  ixpk= 232, nxpk= 25, iat=1388,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 ARG  QD           90 ARG  HA          4.50    (#    235:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1398,1399,
 &end
#
#   58 GLY  HN           57 ASN  HA          3.50    (#    238:25  Unique         2.78, 2.90 A)
 &rst
  ixpk= 238, nxpk= 25, iat= 909, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:239      0 AMB  25-1:239    3.50    (#    239:25  Double Ambig)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 566, 904, 905,
 igr2= 568, 897,
 &end
#
#    0 AMB  25-2:240     57 ASN  HA          3.50    (#    240:25  Single Ambig)
 &rst
  ixpk= 240, nxpk= 25, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   57 ASN  HB+          57 ASN  HA          3.50    (#    241:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   57 ASN  HB-          57 ASN  HA          3.50    (#    242:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 242, nxpk= 25, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   36 ARG  HB+          36 ARG  HA          3.50    (#    243:25  Unique         2.24, 2.80 A)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 570, 571,
 &end
#
#    0 AMB  25-2:244     36 ARG  HA          3.50    (#    244:25  Single Ambig)
 &rst
  ixpk= 244, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 570, 571, 986, 987,
 &end
#
#    0 AMB  25-2:245      0 AMB  25-1:245    3.50    (#    245:25  Double Ambig)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 512, 513, 514, 516, 517, 518, 596, 597, 598, 600,
       601, 602, 596, 597, 598, 600, 601, 602,1297,1298,
      1299,1301,1302,1303, 510, 615, 616, 617, 619, 620,
       621,
 igr2= 568, 897,
 &end
#
#   37 VAL  HN           36 ARG  HA          3.50    (#    246:25  Unique         2.21, 2.41 A)
 &rst
  ixpk= 246, nxpk= 25, iat= 590, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 HIS  HD2          90 ARG  HA          4.50    (#    247:25  Unique         2.25, 3.43 A)
 &rst
  ixpk= 247, nxpk= 25, iat= 817,1390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASN  HN           57 ASN  HA          2.50    (#    249:25  Unique         2.23, 2.25 A)
 &rst
  ixpk= 249, nxpk= 25, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   80 ALA  HN           80 ALA  HA          3.50    (#    251:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 251, nxpk= 25, iat=1232,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HN           80 ALA  HA          3.50    (#    252:25  Unique         3.41, 3.44 A)
 &rst
  ixpk= 252, nxpk= 25, iat=1242,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:253     80 ALA  HA          4.50    (#    253:25  Single Ambig)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1256,1264,1273,
 &end
#
#   79 PRO  HB+          80 ALA  HA          5.50    (#    254:25  Unique         4.46, 5.26 A)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1225,1226,
 &end
#
#   80 ALA  MB           80 ALA  HA          2.50    (#    255:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1236,1237,1238,
 &end
#
#   81 ASN  HN           81 ASN  HA          3.50    (#    256:25  Unique         2.94, 2.97 A)
 &rst
  ixpk= 256, nxpk= 25, iat=1242,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:257     81 ASN  HA          5.50    (#    257:25  Single Ambig)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1251,1252,1167,1172,
 &end
#
#   81 ASN  HB+          81 ASN  HA          3.50    (#    258:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 258, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   82 TYR  HN           81 ASN  HA          3.50    (#    259:25  Unique         2.71, 3.04 A)
 &rst
  ixpk= 259, nxpk= 25, iat=1256,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:261     68 ASP  HA          3.50    (#    261:25  Single Ambig)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1051,1063,
 &end
#
#   68 ASP  HB+          68 ASP  HA          3.50    (#    263:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   68 ASP  HB-          68 ASP  HA          3.50    (#    264:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   41 PHE  HN           40 ALA  HA          4.50    (#    265:25  Unique         3.56, 3.57 A)
 &rst
  ixpk= 265, nxpk= 25, iat= 651, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:267     16 ALA  HA          3.50    (#    267:25  Single Ambig)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 251, 241,
 &end
#
#    0 AMB  25-2:268     16 ALA  HA          4.50    (#    268:25  Single Ambig)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 255, 256, 221, 222, 210, 211,
 &end
#
#   16 ALA  MB           16 ALA  HA          2.50    (#    269:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 245, 246, 247,
 &end
#
#   40 ALA  HN           40 ALA  HA          4.50    (#    271:25  Unique         2.88, 2.95 A)
 &rst
  ixpk= 271, nxpk= 25, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:272     40 ALA  HA          2.50    (#    272:25  Single Ambig)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr1= 645, 646, 647, 488, 489,
 &end
#
#    0 AMB  25-2:273     40 ALA  HA          3.50    (#    273:25  Single Ambig)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   80 ALA  HN           79 PRO  HD+         4.50    (#    276:25  Unique         2.86, 3.52 A)
 &rst
  ixpk= 276, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1219,1220,
 &end
#
#   78 ASN  HA           79 PRO  HD+         2.50    (#    277:25  Unique         2.20, 2.40 A)
 &rst
  ixpk= 277, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1219,1220,
 &end
#
#   79 PRO  HG+          79 PRO  HD+         3.50    (#    279:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1219,1220,
 &end
#
#   79 PRO  HG-          79 PRO  HD+         3.50    (#    280:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1219,1220,
 &end
#
#   79 PRO  HB+          79 PRO  HD+         4.50    (#    281:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1225,1226,
 igr2=1219,1220,
 &end
#
#   78 ASN  HA           79 PRO  HD-         2.50    (#    284:25  Unique         2.20, 2.40 A)
 &rst
  ixpk= 284, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1219,1220,
 &end
#
#    0 AMB  25-2:286     83 PRO  HD-         3.50    (#    286:25  Single Ambig)
 &rst
  ixpk= 286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1281,1282,1284,1285,
 igr2=1278,1279,
 &end
#
#    0 AMB  25-2:287      0 AMB  25-1:287    3.50    (#    287:25  Double Ambig)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1281,1282,1284,1285,
 igr2=1278,1279,1278,1279,
 &end
#
#   14 PRO  QG           14 PRO  HD+         2.50    (#    289:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 207, 208,
 igr2= 204, 205,
 &end
#
#   13 ALA  HN           13 ALA  HA          3.50    (#    291:25  Unique         2.21, 2.87 A)
 &rst
  ixpk= 291, nxpk= 25, iat= 193, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:292     13 ALA  HA          3.50    (#    292:25  Single Ambig)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 204, 205, 204, 205,
 &end
#
#   13 ALA  MB           13 ALA  HA          2.50    (#    294:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 197, 198, 199,
 &end
#
#    0 AMB  25-2:295     83 PRO  HD-         3.50    (#    295:25  Single Ambig)
 &rst
  ixpk= 295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1281,1282,1284,1285,
 igr2=1278,1279,
 &end
#
#   14 PRO  HA           14 PRO  HD+         4.50    (#    297:25  Unique         3.36, 3.75 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 204, 205,
 &end
#
#   14 PRO  HB+          14 PRO  HD+         4.50    (#    298:25  Unique         2.79, 3.69 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 210, 211,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:301      0 AMB  25-1:301    4.50    (#    301:25  Double Ambig)
 &rst
  ixpk= 301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1422, 213,
 igr2=1413,1414, 204, 205,
 &end
#
#   14 PRO  HB+          14 PRO  HD-         4.50    (#    302:25  Unique         2.79, 3.69 A)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 210, 211,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:303      0 AMB  25-1:303    2.50    (#    303:25  Double Ambig)
 &rst
  ixpk= 303, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 207, 208,1416,1417,
 igr2= 204, 205,1413,1414,
 &end
#
#   13 ALA  MB           14 PRO  HD-         3.50    (#    304:25  Unique         2.15, 3.78 A)
 &rst
  ixpk= 304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 197, 198, 199,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:305      0 AMB  25-1:305    2.50    (#    305:25  Double Ambig)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 383, 384, 386, 387,
 igr2= 380, 381, 380, 381,
 &end
#
#    0 AMB  25-2:308     25 PRO  HD-         2.50    (#    308:25  Single Ambig)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 383, 384, 386, 387,
 igr2= 380, 381,
 &end
#
#   64 ARG  HN           63 GLY  HA+         3.50    (#    309:25  Unique         2.20, 2.98 A)
 &rst
  ixpk= 309, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   63 GLY  HN           63 GLY  HA-         3.50    (#    311:25  Unique         2.24, 2.55 A)
 &rst
  ixpk= 311, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   69 GLY  HN           69 GLY  HA+         2.50    (#    315:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 315, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1065,1066,
 &end
#
#   69 GLY  HN           69 GLY  HA-         3.50    (#    317:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 317, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1065,1066,
 &end
#
#   70 LYS  HN           69 GLY  HA-         4.50    (#    318:25  Unique         3.21, 3.36 A)
 &rst
  ixpk= 318, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#   38 LEU  HN           38 LEU  HB+         3.50    (#    320:25  Unique         2.36, 3.13 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-2:322      0 AMB  25-1:322    2.50    (#    322:25  Double Ambig)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 610, 611, 610, 611,
 &end
#
#    0 AMB  25-2:323     38 LEU  HB-         3.50    (#    323:25  Single Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 606, 625,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-2:325     38 LEU  HB-         2.50    (#    325:25  Single Ambig)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-2:326     89 GLY  QA          3.50    (#    326:25  Single Ambig)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1388,1381,
 igr2=1383,1384,
 &end
#
#   54 LEU  MDY          89 GLY  QA          3.50    (#    327:25  Unique         2.23, 4.76 A)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=1383,1384,
 &end
#
#   77 GLY  HN           77 GLY  HA+         3.50    (#    328:25  Unique         2.26, 2.55 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1199,1200,
 &end
#
#   58 GLY  HN           58 GLY  HA+         2.50    (#    331:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 331, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 911, 912,
 &end
#
#   59 MET  HN           58 GLY  HA+         4.50    (#    332:25  Unique         3.16, 3.36 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 911, 912,
 &end
#
#   58 GLY  HN           58 GLY  HA-         3.50    (#    335:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 911, 912,
 &end
#
#    2 GLY  HN            2 GLY  HA-         4.50    (#    339:25  Unique         2.28, 2.78 A)
 &rst
  ixpk= 339, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  23,  24,
 &end
#
#   77 GLY  HN           77 GLY  HA-         3.50    (#    340:25  Unique         2.26, 2.55 A)
 &rst
  ixpk= 340, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1199,1200,
 &end
#
#   78 ASN  HN           77 GLY  HA-         4.50    (#    341:25  Unique         2.87, 3.27 A)
 &rst
  ixpk= 341, nxpk= 25, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:343      0 AMB  25-1:343    3.50    (#    343:25  Double Ambig)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 615, 616, 617, 619, 620, 621, 787, 788, 789, 791,
       792, 793,
 igr2= 799, 800, 799, 800,
 &end
#
#   50 GLY  HN           50 GLY  HA+         3.50    (#    344:25  Unique         2.27, 2.61 A)
 &rst
  ixpk= 344, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-2:347     50 GLY  HA-         3.50    (#    347:25  Single Ambig)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 615, 616, 617, 619, 620, 621, 787, 788, 789, 791,
       792, 793,
 igr2= 799, 800,
 &end
#
#   50 GLY  HN           50 GLY  HA-         3.50    (#    348:25  Unique         2.27, 2.61 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 799, 800,
 &end
#
#   64 ARG  HB+          64 ARG  QD          2.50    (#    354:25  Unique         2.19, 3.14 A)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 986, 987,
 igr2= 992, 993,
 &end
#
#   64 ARG  HE           64 ARG  QD          3.50    (#    355:25  Unique         2.33, 2.81 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 992, 993,
 &end
#
#   65 TYR  HE           64 ARG  QD          4.50    (#    356:25  Unique         2.57, 4.68 A)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1016,1021,
 igr2= 992, 993,
 &end
#
#   71 GLU  HG-          64 ARG  QD          5.50    (#    357:25  Unique         2.48, 5.85 A)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:358     64 ARG  QD          2.50    (#    358:25  Single Ambig)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 986, 987, 989, 990,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:359     64 ARG  QD          3.50    (#    359:25  Single Ambig)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 510,
 igr2= 992, 993,
 &end
#
#   88 PHE  HD           88 PHE  HB-         4.50    (#    360:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1369,1377,
 igr2=1365,1366,
 &end
#
#    0 AMB  25-2:361      0 AMB  25-1:361    4.50    (#    361:25  Double Ambig)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 837, 838, 839, 841, 842, 843, 631, 632, 633, 635,
       636, 637,
 igr2=1365,1366,1365,1366,
 &end
#
#   88 PHE  HD           88 PHE  HB+         3.50    (#    362:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1369,1377,
 igr2=1365,1366,
 &end
#
#   51 HIS  HD2          88 PHE  HB+         5.50    (#    363:25  Unique         3.00, 5.23 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#    0 AMB  25-2:367     30 LEU  HB-         3.50    (#    367:25  Single Ambig)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 596, 597, 598, 600, 601, 602,1132,1133,1134,1136,
      1137,1138,
 igr2= 466, 467,
 &end
#
#   90 ARG  HN           90 ARG  QD          4.50    (#    368:25  Unique         2.00, 3.76 A)
 &rst
  ixpk= 368, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1398,1399,
 &end
#
#    0 AMB  25-2:369     36 ARG  HD-         5.50    (#    369:25  Single Ambig)
 &rst
  ixpk= 369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 975, 551,
 igr2= 576, 577,
 &end
#
#    0 AMB  25-2:370      0 AMB  25-1:370    4.50    (#    370:25  Double Ambig)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 241, 217,1426,
 igr2=1398,1399, 227, 228, 576, 577,
 &end
#
#   36 ARG  HN           36 ARG  HD-         4.50    (#    371:25  Unique         3.10, 4.60 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 576, 577,
 &end
#
#   51 HIS  HD2          90 ARG  QD          3.50    (#    373:25  Unique         2.31, 3.79 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1398,1399,
 &end
#
#   36 ARG  HA           36 ARG  HD-         4.50    (#    376:25  Unique         2.12, 3.32 A)
 &rst
  ixpk= 376, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 576, 577,
 &end
#
#    0 AMB  25-2:377      0 AMB  25-1:377    3.50    (#    377:25  Double Ambig)
 &rst
  ixpk= 377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1428, 219, 243,
 igr2=1436,1437, 227, 228,1398,1399,
 &end
#
#   63 GLY  HA-          36 ARG  HD-         4.50    (#    379:25  Unique         2.10, 3.71 A)
 &rst
  ixpk= 379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 977, 978,
 igr2= 576, 577,
 &end
#
#    0 AMB  25-2:382      0 AMB  25-1:382    2.50    (#    382:25  Double Ambig)
 &rst
  ixpk= 382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1395,1396, 570, 571,1392,1393,
 igr2=1398,1399, 576, 577,
 &end
#
#   54 LEU  HA           54 LEU  HB+         3.50    (#    390:25  Unique         2.45, 2.80 A)
 &rst
  ixpk= 390, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 851, 852,
 &end
#
#   54 LEU  MDY          54 LEU  HB-         3.50    (#    391:25  Unique         2.38, 3.37 A)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 851, 852,
 &end
#
#   32 LEU  HA           32 LEU  HB-         3.50    (#    397:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 397, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 507, 508,
 &end
#
#    0 AMB  25-2:398     32 LEU  HB-         2.50    (#    398:25  Single Ambig)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
       517, 518, 512, 513, 514, 516, 517, 518, 510, 596,
       597, 598, 600, 601, 602,
 igr2= 507, 508,
 &end
#
#   22 PHE  HD           22 PHE  HB-         5.50    (#    401:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:403     22 PHE  HB-         4.50    (#    403:25  Single Ambig)
 &rst
  ixpk= 403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 igr2= 331, 332,
 &end
#
#   41 PHE  HB-          29 LEU  HB+         3.50    (#    404:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   30 LEU  HN           29 LEU  HB+         4.50    (#    405:25  Unique         2.41, 3.74 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 447, 448,
 &end
#
#   29 LEU  HA           29 LEU  HB+         3.50    (#    406:25  Unique         2.52, 2.80 A)
 &rst
  ixpk= 406, nxpk= 25, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 447, 448,
 &end
#
#   40 ALA  MB           29 LEU  HB+         3.50    (#    408:25  Unique         2.34, 4.36 A)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647,
 igr2= 447, 448,
 &end
#
#    0 AMB  25-2:410      0 AMB  25-1:410    2.50    (#    410:25  Double Ambig)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 503, 462,
 igr2= 507, 508, 447, 448,
 &end
#
#   32 LEU  HA           32 LEU  HB+         3.50    (#    411:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 411, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 507, 508,
 &end
#
#   41 PHE  HN           29 LEU  HB-         4.50    (#    413:25  Unique         2.17, 3.36 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 447, 448,
 &end
#
#   29 LEU  HA           29 LEU  HB-         3.50    (#    414:25  Unique         2.52, 2.80 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 447, 448,
 &end
#
#   41 PHE  HB-          29 LEU  HB-         3.50    (#    415:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   32 LEU  HN           32 LEU  HB-         3.50    (#    416:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 507, 508,
 &end
#
#    0 AMB  25-2:418      0 AMB  25-1:418    3.50    (#    418:25  Double Ambig)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 671, 651,
 igr2= 655, 656, 655, 656,
 &end
#
#    0 AMB  25-2:420     70 LYS  QE          4.50    (#    420:25  Single Ambig)
 &rst
  ixpk= 420, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1070,1251,1252,
 igr2=1083,1084,
 &end
#
#   86 ILE  HG1-         22 PHE  HB-         4.50    (#    423:25  Unique         2.60, 4.59 A)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1328,1329,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:424     41 PHE  HB-         3.50    (#    424:25  Single Ambig)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 671, 651,
 igr2= 655, 656,
 &end
#
#   41 PHE  HD           41 PHE  HB-         3.50    (#    425:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 659, 667,
 igr2= 655, 656,
 &end
#
#   41 PHE  HA           41 PHE  HB-         4.50    (#    426:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 426, nxpk= 25, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 655, 656,
 &end
#
#   41 PHE  HB+          29 LEU  HB-         5.50    (#    428:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   93 LEU  HN           93 LEU  QB          3.50    (#    429:25  Unique         2.29, 2.92 A)
 &rst
  ixpk= 429, nxpk= 25, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1454,1455,
 &end
#
#   66 THR  HN           65 TYR  HB+         4.50    (#    431:25  Unique         2.68, 3.35 A)
 &rst
  ixpk= 431, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1010,1011,
 &end
#
#   65 TYR  HD           65 TYR  HB+         3.50    (#    432:25  Unique         2.34, 3.09 A)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1014,1023,
 igr2=1010,1011,
 &end
#
#   65 TYR  HN           65 TYR  HB+         3.50    (#    433:25  Unique         2.59, 3.23 A)
 &rst
  ixpk= 433, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   65 TYR  HA           65 TYR  HB+         3.50    (#    434:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 434, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   75 TYR  HD           70 LYS  QE          4.50    (#    435:25  Unique         2.86, 6.28 A)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1083,1084,
 &end
#
#    0 AMB  25-2:436     70 LYS  QE          5.50    (#    436:25  Single Ambig)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1167,1172,1251,1252,
 igr2=1083,1084,
 &end
#
#   70 LYS  HA           70 LYS  QE          4.50    (#    437:25  Unique         2.51, 4.40 A)
 &rst
  ixpk= 437, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1083,1084,
 &end
#
#   70 LYS  HB-          70 LYS  QE          5.50    (#    438:25  Unique         2.11, 4.27 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1074,1075,
 igr2=1083,1084,
 &end
#
#   70 LYS  QD           70 LYS  QE          2.50    (#    439:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1080,1081,
 igr2=1083,1084,
 &end
#
#   70 LYS  QG           70 LYS  QE          2.50    (#    440:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1083,1084,
 &end
#
#   65 TYR  HN           65 TYR  HB-         3.50    (#    441:25  Unique         2.59, 3.23 A)
 &rst
  ixpk= 441, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   65 TYR  HA           65 TYR  HB-         3.50    (#    442:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 442, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1010,1011,
 &end
#
#   38 LEU  MDX          31 LYS  QE          2.50    (#    443:25  Unique         2.16, 4.78 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 494, 495,
 &end
#
#   37 VAL  HA           31 LYS  QE          5.50    (#    444:25  Unique         5.47, 6.14 A)
 &rst
  ixpk= 444, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
#    0 AMB  25-2:445     41 PHE  HB-         3.50    (#    445:25  Single Ambig)
 &rst
  ixpk= 445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 655, 656,
 &end
#
#   94 THR  HN           93 LEU  QB          3.50    (#    452:25  Unique         2.05, 3.35 A)
 &rst
  ixpk= 452, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1454,1455,
 &end
#
#    9 LEU  HN            9 LEU  QB          2.50    (#    453:25  Unique         2.36, 2.75 A)
 &rst
  ixpk= 453, nxpk= 25, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 134, 135,
 &end
#
#    9 LEU  HA            9 LEU  QB          2.50    (#    454:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 454, nxpk= 25, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 134, 135,
 &end
#
#   65 TYR  HD           65 TYR  HB-         3.50    (#    456:25  Unique         2.34, 3.09 A)
 &rst
  ixpk= 456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1014,1023,
 igr2=1010,1011,
 &end
#
#    0 AMB  25-2:457     31 LYS  QE          4.50    (#    457:25  Single Ambig)
 &rst
  ixpk= 457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 524, 483,
 igr2= 494, 495,
 &end
#
#    0 AMB  25-2:458     31 LYS  QE          2.50    (#    458:25  Single Ambig)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 610, 611, 488, 489,
 igr2= 494, 495,
 &end
#
#   40 ALA  HA           31 LYS  QE          4.50    (#    460:25  Unique         3.14, 4.60 A)
 &rst
  ixpk= 460, nxpk= 25, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 494, 495,
 &end
#
#    0 AMB  25-2:461     31 LYS  QE          2.50    (#    461:25  Single Ambig)
 &rst
  ixpk= 461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 610, 611, 491, 492,
 igr2= 494, 495,
 &end
#
#   10 ASP  HN           10 ASP  QB          2.50    (#    464:25  Unique         2.23, 2.71 A)
 &rst
  ixpk= 464, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 153, 154,
 &end
#
#    0 AMB  25-2:465     10 ASP  QB          4.50    (#    465:25  Single Ambig)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 161, 172,
 igr2= 153, 154,
 &end
#
#   10 ASP  HA           10 ASP  QB          2.50    (#    466:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 153, 154,
 &end
#
#   76 LEU  HN           76 LEU  HB+         3.50    (#    467:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 467, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1182,1183,
 &end
#
#    0 AMB  25-2:469     76 LEU  HB-         2.50    (#    469:25  Single Ambig)
 &rst
  ixpk= 469, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 igr2=1182,1183,
 &end
#
#   76 LEU  HN           76 LEU  HB-         4.50    (#    470:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 470, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1182,1183,
 &end
#
#   76 LEU  HA           76 LEU  HB-         4.50    (#    471:25  Unique         2.53, 2.80 A)
 &rst
  ixpk= 471, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1182,1183,
 &end
#
#    0 AMB  25-2:473      0 AMB  25-1:473    2.50    (#    473:25  Double Ambig)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 igr2=1182,1183,1182,1183,
 &end
#
#   56 ILE  HN           56 ILE  HB          3.50    (#    474:25  Unique         2.75, 2.83 A)
 &rst
  ixpk= 474, nxpk= 25, iat= 876, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 ILE  HA           56 ILE  HB          4.50    (#    475:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 475, nxpk= 25, iat= 878, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HG1+         56 ILE  HB          3.50    (#    476:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 886, 887,
 &end
#
#    0 AMB  25-2:477     56 ILE  HB          2.50    (#    477:25  Single Ambig)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 882, 883, 884, 951, 952, 953, 955, 956, 957, 951,
       952, 953, 955, 956, 957,
 &end
#
#   60 ASP  HN           60 ASP  HB+         3.50    (#    478:25  Unique         2.27, 2.47 A)
 &rst
  ixpk= 478, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   61 VAL  HN           60 ASP  HB+         4.50    (#    479:25  Unique         4.11, 4.31 A)
 &rst
  ixpk= 479, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   60 ASP  HN           60 ASP  HB-         3.50    (#    480:25  Unique         2.27, 2.47 A)
 &rst
  ixpk= 480, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   61 VAL  HN           60 ASP  HB-         4.50    (#    481:25  Unique         4.11, 4.31 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   67 ALA  MB           60 ASP  HB+         4.50    (#    484:25  Unique         3.59, 5.80 A)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 937, 938,
 &end
#
#   73 LEU  HN           73 LEU  HB+         3.50    (#    485:25  Unique         2.35, 3.06 A)
 &rst
  ixpk= 485, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  HA           73 LEU  HB+         3.50    (#    486:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 486, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  MDX          73 LEU  HB+         2.50    (#    488:25  Unique         2.42, 3.35 A)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1132,1133,1134,1136,1137,1138,
 igr2=1127,1128,
 &end
#
#   73 LEU  HN           73 LEU  HB-         4.50    (#    489:25  Unique         2.35, 3.06 A)
 &rst
  ixpk= 489, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1127,1128,
 &end
#
#   73 LEU  HA           73 LEU  HB-         3.50    (#    490:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 490, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  HG           73 LEU  HB-         3.50    (#    492:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 492, nxpk= 25, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1127,1128,
 &end
#
#   73 LEU  MDX          73 LEU  HB-         2.50    (#    493:25  Unique         2.42, 3.35 A)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1132,1133,1134,1136,1137,1138,
 igr2=1127,1128,
 &end
#
#   81 ASN  HD2+         78 ASN  HB+         3.50    (#    496:25  Unique         2.35, 4.57 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252,
 igr2=1208,1209,
 &end
#
#   81 ASN  HD2-         78 ASN  HB+         3.50    (#    497:25  Unique         2.35, 4.57 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252,
 igr2=1208,1209,
 &end
#
#   78 ASN  HA           78 ASN  HB+         3.50    (#    498:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 498, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1208,1209,
 &end
#
#   78 ASN  HD2+         78 ASN  HB+         3.50    (#    499:25  Unique         2.22, 3.15 A)
 &rst
  ixpk= 499, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1213,1214,
 igr2=1208,1209,
 &end
#
#    0 AMB  25-2:500      0 AMB  25-1:500    3.50    (#    500:25  Double Ambig)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1213,1214,1204,
 igr2=1208,1209,1208,1209,
 &end
#
#   68 ASP  HN           68 ASP  HB+         4.50    (#    502:25  Unique         2.40, 2.54 A)
 &rst
  ixpk= 502, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1055,1056,
 &end
#
#   68 ASP  HA           68 ASP  HB+         3.50    (#    503:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 503, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1055,1056,
 &end
#
#   81 ASN  HD2-         78 ASN  HB-         3.50    (#    509:25  Unique         2.35, 4.57 A)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1251,1252,
 igr2=1208,1209,
 &end
#
#   68 ASP  HN           68 ASP  HB-         3.50    (#    512:25  Unique         2.40, 2.54 A)
 &rst
  ixpk= 512, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1055,1056,
 &end
#
#   68 ASP  HA           68 ASP  HB-         3.50    (#    513:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 513, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1055,1056,
 &end
#
#   75 TYR  HD           75 TYR  HB+         4.50    (#    514:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1161,1162,
 &end
#
#   75 TYR  HN           75 TYR  HB+         3.50    (#    515:25  Unique         2.30, 2.47 A)
 &rst
  ixpk= 515, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#   75 TYR  HA           75 TYR  HB-         3.50    (#    521:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 521, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#   70 LYS  HB+          75 TYR  HB-         4.50    (#    522:25  Unique         2.26, 3.39 A)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1075,
 igr2=1161,1162,
 &end
#
#   75 TYR  HN           75 TYR  HB-         3.50    (#    523:25  Unique         2.30, 2.47 A)
 &rst
  ixpk= 523, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#   76 LEU  HN           75 TYR  HB-         4.50    (#    524:25  Unique         2.36, 3.12 A)
 &rst
  ixpk= 524, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   75 TYR  HD           75 TYR  HB-         3.50    (#    526:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1165,1174,
 igr2=1161,1162,
 &end
#
#    0 AMB  25-2:527     75 TYR  HB-         3.50    (#    527:25  Single Ambig)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
      1114,1115,1117,1118,1119,
 igr2=1161,1162,
 &end
#
#    0 AMB  25-2:530      0 AMB  25-1:530    4.50    (#    530:25  Double Ambig)
 &rst
  ixpk= 530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 551, 975,
 igr2= 543, 544, 965, 966,
 &end
#
#    0 AMB  25-2:532      0 AMB  25-1:532    3.50    (#    532:25  Double Ambig)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 541,1043,
 igr2= 543, 544, 965, 966,
 &end
#
#   62 ASN  HN           62 ASN  HB+         3.50    (#    533:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 533, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   62 ASN  HD2+         62 ASN  HB+         3.50    (#    534:25  Unique         2.28, 3.18 A)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 970, 971,
 igr2= 965, 966,
 &end
#
#    0 AMB  25-2:535      0 AMB  25-1:535    4.50    (#    535:25  Double Ambig)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 970, 971,1014,1023,
 igr2= 965, 966, 965, 966,
 &end
#
#   62 ASN  HA           62 ASN  HB+         3.50    (#    536:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 536, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   62 ASN  HN           62 ASN  HB-         3.50    (#    538:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 538, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   63 GLY  HN           62 ASN  HB-         4.50    (#    539:25  Unique         4.45, 4.55 A)
 &rst
  ixpk= 539, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 965, 966,
 &end
#
#   62 ASN  HD2+         62 ASN  HB-         3.50    (#    540:25  Unique         2.28, 3.18 A)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 970, 971,
 igr2= 965, 966,
 &end
#
#   62 ASN  HA           62 ASN  HB-         3.50    (#    541:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 541, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 965, 966,
 &end
#
#   24 TYR  HD           24 TYR  QB          3.50    (#    542:25  Unique         2.30, 3.08 A)
 &rst
  ixpk= 542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 366, 375,
 igr2= 362, 363,
 &end
#
#   24 TYR  HN           24 TYR  QB          4.50    (#    544:25  Unique         2.14, 3.25 A)
 &rst
  ixpk= 544, nxpk= 25, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 362, 363,
 &end
#
#   35 GLU  HN           34 ASP  HB-         4.50    (#    545:25  Unique         4.27, 4.49 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 543, 544,
 &end
#
#   34 ASP  HA           34 ASP  HB-         3.50    (#    546:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 546, nxpk= 25, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   12 TYR  HN           12 TYR  HB+         3.50    (#    549:25  Unique         2.27, 3.35 A)
 &rst
  ixpk= 549, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#   13 ALA  HN           12 TYR  HB+         4.50    (#    550:25  Unique         2.22, 3.49 A)
 &rst
  ixpk= 550, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   12 TYR  HD           12 TYR  HB+         2.50    (#    551:25  Unique         2.32, 3.09 A)
 &rst
  ixpk= 551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 180, 189,
 igr2= 176, 177,
 &end
#
#   12 TYR  HE           12 TYR  HB+         4.50    (#    552:25  Unique         4.64, 5.10 A)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 187,
 igr2= 176, 177,
 &end
#
#   12 TYR  HA           12 TYR  HB+         2.50    (#    553:25  Unique         2.28, 2.50 A)
 &rst
  ixpk= 553, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 176, 177,
 &end
#
#   12 TYR  HN           12 TYR  HB-         3.50    (#    554:25  Unique         2.27, 3.35 A)
 &rst
  ixpk= 554, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#   12 TYR  HD           12 TYR  HB-         2.50    (#    555:25  Unique         2.32, 3.09 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 180, 189,
 igr2= 176, 177,
 &end
#
#   12 TYR  HA           12 TYR  HB-         3.50    (#    556:25  Unique         2.28, 2.50 A)
 &rst
  ixpk= 556, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#   13 ALA  HN           12 TYR  HB-         4.50    (#    557:25  Unique         2.22, 3.49 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:558      0 AMB  25-1:558    4.50    (#    558:25  Double Ambig)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1242, 904, 905,
 igr2=1246,1247,1246,1247,
 &end
#
#    0 AMB  25-2:559      0 AMB  25-1:559    4.50    (#    559:25  Double Ambig)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1251,1252,1167,1172,
 igr2=1246,1247,1246,1247,
 &end
#
#   81 ASN  HA           81 ASN  HB+         3.50    (#    560:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 560, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#    0 AMB  25-2:561     81 ASN  HB-         4.50    (#    561:25  Single Ambig)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1251,1252,1167,1172,
 igr2=1246,1247,
 &end
#
#   71 GLU  HN           71 GLU  HG+         4.50    (#    562:25  Unique         2.87, 4.36 A)
 &rst
  ixpk= 562, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   65 TYR  HE           71 GLU  HG+         3.50    (#    563:25  Unique         2.54, 5.47 A)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1016,1021,
 igr2=1099,1100,
 &end
#
#   71 GLU  HA           71 GLU  HG+         3.50    (#    564:25  Unique         2.29, 2.80 A)
 &rst
  ixpk= 564, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1099,1100,
 &end
#
#   81 ASN  HA           81 ASN  HB-         3.50    (#    566:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 566, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#    0 AMB  25-2:567     81 ASN  HB-         4.50    (#    567:25  Single Ambig)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1242, 904, 905,
 igr2=1246,1247,
 &end
#
#   71 GLU  HN           71 GLU  HG-         4.50    (#    568:25  Unique         2.87, 4.36 A)
 &rst
  ixpk= 568, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   65 TYR  HE           71 GLU  HG-         4.50    (#    569:25  Unique         2.54, 5.47 A)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1016,1021,
 igr2=1099,1100,
 &end
#
#   71 GLU  HA           71 GLU  HG-         3.50    (#    570:25  Unique         2.29, 2.80 A)
 &rst
  ixpk= 570, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1099,1100,
 &end
#
#   71 GLU  HB+          71 GLU  HG-         3.50    (#    572:25  Unique         2.27, 2.75 A)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,
 igr2=1099,1100,
 &end
#
#   31 LYS  HN           31 LYS  QB          3.50    (#    573:25  Unique         3.15, 3.67 A)
 &rst
  ixpk= 573, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 485, 486,
 &end
#
#   32 LEU  HN           31 LYS  QB          3.50    (#    574:25  Unique         2.32, 3.26 A)
 &rst
  ixpk= 574, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 485, 486,
 &end
#
#   31 LYS  HA           31 LYS  QB          2.50    (#    575:25  Unique         2.27, 2.43 A)
 &rst
  ixpk= 575, nxpk= 25, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 485, 486,
 &end
#
#    0 AMB  25-2:576     31 LYS  QB          4.50    (#    576:25  Single Ambig)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 494, 495, 526, 527,
 igr2= 485, 486,
 &end
#
#    0 AMB  25-2:577     31 LYS  QB          2.50    (#    577:25  Single Ambig)
 &rst
  ixpk= 577, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 488, 489, 645, 646, 647,
 igr2= 485, 486,
 &end
#
#   57 ASN  HD2-         57 ASN  HB+         3.50    (#    579:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   57 ASN  HA           57 ASN  HB+         3.50    (#    580:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   57 ASN  HD2-         57 ASN  HB-         3.50    (#    582:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   57 ASN  HA           57 ASN  HB-         3.50    (#    583:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 583, nxpk= 25, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   35 GLU  HN           35 GLU  HG+         4.50    (#    585:25  Unique         2.77, 3.40 A)
 &rst
  ixpk= 585, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 558, 559,
 &end
#
#   17 GLU  HN           17 GLU  QG          3.50    (#    587:25  Unique         2.22, 3.48 A)
 &rst
  ixpk= 587, nxpk= 25, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 258, 259,
 &end
#
#   17 GLU  HA           17 GLU  QG          3.50    (#    588:25  Unique         2.28, 3.13 A)
 &rst
  ixpk= 588, nxpk= 25, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 258, 259,
 &end
#
#   74 GLU  HA           74 GLU  HG+         3.50    (#    594:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 594, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1149,1150,
 &end
#
#   35 GLU  HA           35 GLU  HG+         3.50    (#    596:25  Unique         2.20, 3.17 A)
 &rst
  ixpk= 596, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 558, 559,
 &end
#
#   34 ASP  HB+          35 GLU  HG+         7.00    (#    598:25  Unique         5.26, 6.60 A)
 &rst
  ixpk= 598, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 543, 544,
 igr2= 558, 559,
 &end
#
#   17 GLU  HB-          17 GLU  QG          2.50    (#    601:25  Unique         2.27, 2.68 A)
 &rst
  ixpk= 601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 255, 256,
 igr2= 258, 259,
 &end
#
#   16 ALA  MB           17 GLU  QG          5.50    (#    602:25  Unique         2.54, 5.57 A)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 245, 246, 247,
 igr2= 258, 259,
 &end
#
#   74 GLU  HA           74 GLU  HG-         3.50    (#    603:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 603, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1149,1150,
 &end
#
#   35 GLU  HN           35 GLU  HG-         3.50    (#    604:25  Unique         2.77, 3.40 A)
 &rst
  ixpk= 604, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 558, 559,
 &end
#
#   35 GLU  HA           35 GLU  HG-         3.50    (#    605:25  Unique         2.20, 3.17 A)
 &rst
  ixpk= 605, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 558, 559,
 &end
#
#   85 SER  HN           84 VAL  HB          3.50    (#    619:25  Unique         2.16, 2.50 A)
 &rst
  ixpk= 619, nxpk= 25, iat=1307,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 VAL  HA           84 VAL  HB          3.50    (#    620:25  Unique         2.45, 2.52 A)
 &rst
  ixpk= 620, nxpk= 25, iat=1293,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 VAL  MGX          84 VAL  HB          2.50    (#    622:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:623     84 VAL  HB          2.50    (#    623:25  Single Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 &end
#
#    0 AMB  25-2:629      0 AMB  25-1:629    3.50    (#    629:25  Double Ambig)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 389, 380, 381,
 igr2= 386, 387, 386, 387,
 &end
#
#   59 MET  HN           59 MET  HB+         4.50    (#    631:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 631, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 920, 921,
 &end
#
#   59 MET  HA           59 MET  HB+         3.50    (#    632:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 632, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   59 MET  HG-          59 MET  HB+         2.50    (#    633:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 923, 924,
 igr2= 920, 921,
 &end
#
#   67 ALA  MB           59 MET  HB+         4.50    (#    635:25  Unique         2.32, 3.76 A)
 &rst
  ixpk= 635, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 920, 921,
 &end
#
#   59 MET  HG-          59 MET  HB-         3.50    (#    636:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 924,
 igr2= 920, 921,
 &end
#
#   67 ALA  MB           59 MET  HB-         3.50    (#    638:25  Unique         2.32, 3.76 A)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1045,1046,1047,
 igr2= 920, 921,
 &end
#
#   60 ASP  HN           59 MET  HB-         3.50    (#    639:25  Unique         3.28, 4.02 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   59 MET  HA           59 MET  HB-         3.50    (#    640:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   36 ARG  HD-          36 ARG  HB+         3.50    (#    642:25  Unique         2.32, 3.42 A)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 576, 577,
 igr2= 570, 571,
 &end
#
#   36 ARG  HN           36 ARG  HB+         3.50    (#    643:25  Unique         2.52, 3.17 A)
 &rst
  ixpk= 643, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#   36 ARG  HN           36 ARG  HB-         3.50    (#    644:25  Unique         2.52, 3.17 A)
 &rst
  ixpk= 644, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#   36 ARG  HA           36 ARG  HB-         3.50    (#    645:25  Unique         2.24, 2.80 A)
 &rst
  ixpk= 645, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#   36 ARG  HD-          36 ARG  HB-         4.50    (#    646:25  Unique         2.32, 3.42 A)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 576, 577,
 igr2= 570, 571,
 &end
#
#   38 LEU  MDY          36 ARG  HB-         3.50    (#    647:25  Unique         2.37, 4.43 A)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 570, 571,
 &end
#
#   43 GLN  HE2+         43 GLN  QG          3.50    (#    648:25  Unique         2.23, 3.33 A)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 690, 691,
 igr2= 685, 686,
 &end
#
#   43 GLN  QB           43 GLN  QG          2.50    (#    650:25  Unique         2.25, 2.70 A)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 682, 683,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:651     43 GLN  QG          4.50    (#    651:25  Single Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 685, 686,
 &end
#
#   71 GLU  HN           70 LYS  HB+         4.50    (#    657:25  Unique         2.81, 3.63 A)
 &rst
  ixpk= 657, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1074,1075,
 &end
#
#   70 LYS  HN           70 LYS  HB+         3.50    (#    658:25  Unique         2.26, 3.03 A)
 &rst
  ixpk= 658, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   70 LYS  QG           70 LYS  HB+         2.50    (#    659:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   71 GLU  HN           70 LYS  HB-         4.50    (#    660:25  Unique         2.81, 3.63 A)
 &rst
  ixpk= 660, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1074,1075,
 &end
#
#   70 LYS  HN           70 LYS  HB-         3.50    (#    661:25  Unique         2.26, 3.03 A)
 &rst
  ixpk= 661, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   70 LYS  QG           70 LYS  HB-         2.50    (#    662:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   33 HIS  HA           33 HIS  HB+         3.50    (#    663:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:665      0 AMB  25-1:665    4.50    (#    665:25  Double Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 491, 492, 613,
 igr2= 526, 527, 526, 527,
 &end
#
#   38 LEU  MDX          33 HIS  HB+         3.50    (#    666:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 526, 527,
 &end
#
#   33 HIS  HA           33 HIS  HB-         3.50    (#    667:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 667, nxpk= 25, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:669     33 HIS  HB-         4.50    (#    669:25  Single Ambig)
 &rst
  ixpk= 669, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 491, 492, 613,
 igr2= 526, 527,
 &end
#
#   38 LEU  MDX          33 HIS  HB-         3.50    (#    670:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:673      0 AMB  25-1:673    3.50    (#    673:25  Double Ambig)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 217, 241,
 igr2= 210, 211, 210, 211,
 &end
#
#   14 PRO  HA           14 PRO  HB+         3.50    (#    674:25  Unique         2.27, 2.62 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 210, 211,
 &end
#
#    0 AMB  25-2:675      0 AMB  25-1:675    3.50    (#    675:25  Double Ambig)
 &rst
  ixpk= 675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 204, 205, 204, 205,
 igr2= 210, 211, 210, 211,
 &end
#
#   14 PRO  QG           14 PRO  HB+         2.50    (#    676:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 207, 208,
 igr2= 210, 211,
 &end
#
#    0 AMB  25-2:682     14 PRO  HB-         3.50    (#    682:25  Single Ambig)
 &rst
  ixpk= 682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 204, 205, 204, 205,
 igr2= 210, 211,
 &end
#
#    0 AMB  25-2:687     39 VAL  HB          3.50    (#    687:25  Single Ambig)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 783, 808, 809,
 &end
#
#   83 PRO  HD+          83 PRO  HB-         4.50    (#    688:25  Unique         2.89, 3.70 A)
 &rst
  ixpk= 688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1278,1279,
 igr2=1284,1285,
 &end
#
#    0 AMB  25-2:689      0 AMB  25-1:689    3.50    (#    689:25  Double Ambig)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1422,1287,
 igr2=1419,1420,1284,1285,
 &end
#
#    0 AMB  25-2:693      0 AMB  25-1:693    2.50    (#    693:25  Double Ambig)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602, 837, 838, 839, 841, 842, 843, 951, 952,
       953, 955, 956, 957,1113,1114,1115,1117,1118,1119,
      1113,1114,1115,1117,1118,1119,
 igr2= 835, 949,
 &end
#
#    0 AMB  25-2:694      0 AMB  25-1:694    3.50    (#    694:25  Double Ambig)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 961, 847,
 igr2= 949, 835,
 &end
#
#   61 VAL  HA           61 VAL  HB          4.50    (#    695:25  Unique         2.40, 2.42 A)
 &rst
  ixpk= 695, nxpk= 25, iat= 947, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:699      0 AMB  25-1:699    3.50    (#    699:25  Double Ambig)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 797,1107,
 igr2= 785,1111,
 &end
#
#   73 LEU  HN           72 VAL  HB          4.50    (#    700:25  Unique         2.79, 3.03 A)
 &rst
  ixpk= 700, nxpk= 25, iat=1123,1111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:701     72 VAL  HB          2.50    (#    701:25  Single Ambig)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,1132,1133,1134,1136,1137,1138,
      
 &end
#
#   59 MET  HN           59 MET  HG+         4.50    (#    702:25  Unique         2.35, 3.16 A)
 &rst
  ixpk= 702, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   59 MET  HA           59 MET  HG+         3.50    (#    703:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 703, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   59 MET  HB+          59 MET  HG+         3.50    (#    705:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   59 MET  HB-          59 MET  HG+         3.50    (#    706:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   67 ALA  MB           59 MET  HG+         4.50    (#    707:25  Unique         2.53, 4.54 A)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 923, 924,
 &end
#
#   59 MET  HN           59 MET  HG-         3.50    (#    708:25  Unique         2.35, 3.16 A)
 &rst
  ixpk= 708, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   59 MET  HA           59 MET  HG-         3.50    (#    709:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 709, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   59 MET  HB+          59 MET  HG-         2.50    (#    711:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   59 MET  HB-          59 MET  HG-         3.50    (#    712:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921,
 igr2= 923, 924,
 &end
#
#   67 ALA  MB           59 MET  HG-         4.50    (#    713:25  Unique         2.53, 4.54 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1045,1046,1047,
 igr2= 923, 924,
 &end
#
#   39 VAL  HN           39 VAL  HB          3.50    (#    714:25  Unique         2.38, 2.46 A)
 &rst
  ixpk= 714, nxpk= 25, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  MGX          39 VAL  HB          2.50    (#    715:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  MGY          39 VAL  HB          3.50    (#    716:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:717      0 AMB  25-1:717    3.50    (#    717:25  Double Ambig)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1426,1450,
 igr2=1419,1420,1419,1420,
 &end
#
#   37 VAL  HN           37 VAL  HB          4.50    (#    718:25  Unique         2.40, 3.02 A)
 &rst
  ixpk= 718, nxpk= 25, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:719      0 AMB  25-1:719    4.50    (#    719:25  Double Ambig)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 995,1006,
 igr2= 986, 987, 986, 987,
 &end
#
#   64 ARG  HA           64 ARG  HB+         3.50    (#    720:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 720, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 986, 987,
 &end
#
#   64 ARG  QD           64 ARG  HB+         3.50    (#    721:25  Unique         2.19, 3.14 A)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 992, 993,
 igr2= 986, 987,
 &end
#
#   64 ARG  HA           64 ARG  HB-         3.50    (#    723:25  Unique         2.38, 2.49 A)
 &rst
  ixpk= 723, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 986, 987,
 &end
#
#   64 ARG  QD           64 ARG  HB-         4.50    (#    724:25  Unique         2.19, 3.14 A)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 992, 993,
 igr2= 986, 987,
 &end
#
#    0 AMB  25-2:726     64 ARG  HB-         3.50    (#    726:25  Single Ambig)
 &rst
  ixpk= 726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 596, 597, 598, 600, 601, 602, 596, 597,
       598, 600, 601, 602, 510,1132,1133,1134,1136,1137,
      1138,
 igr2= 986, 987,
 &end
#
#   17 GLU  HA           17 GLU  HB+         3.50    (#    727:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 727, nxpk= 25, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 255, 256,
 &end
#
#   17 GLU  QG           17 GLU  HB+         2.50    (#    728:25  Unique         2.27, 2.68 A)
 &rst
  ixpk= 728, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 258, 259,
 igr2= 255, 256,
 &end
#
#   49 VAL  HA           49 VAL  HB          3.50    (#    730:25  Unique         2.37, 2.59 A)
 &rst
  ixpk= 730, nxpk= 25, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:731      0 AMB  25-1:731    2.50    (#    731:25  Double Ambig)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,1132,1133,1134,1136,1137,1138,
 igr2= 785,1111,
 &end
#
#    0 AMB  25-2:732      0 AMB  25-1:732    3.50    (#    732:25  Double Ambig)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 241, 217, 251,
 igr2= 221, 222, 221, 222, 221, 222,
 &end
#
#   15 ARG  HA           15 ARG  HB+         3.50    (#    733:25  Unique         2.39, 2.70 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 221, 222,
 &end
#
#   15 ARG  HA           15 ARG  HB-         3.50    (#    734:25  Unique         2.39, 2.70 A)
 &rst
  ixpk= 734, nxpk= 25, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 221, 222,
 &end
#
#   15 ARG  HD-          15 ARG  HB-         3.50    (#    735:25  Unique         2.32, 3.10 A)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 221, 222,
 &end
#
#   92 ARG  HD-          92 ARG  HB+         3.50    (#    738:25  Unique         2.30, 3.16 A)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1436,1437,
 igr2=1430,1431,
 &end
#
#    0 AMB  25-2:739     15 ARG  HB-         3.50    (#    739:25  Single Ambig)
 &rst
  ixpk= 739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 241, 217, 251,
 igr2= 221, 222,
 &end
#
#   80 ALA  HN           79 PRO  HB+         4.50    (#    740:25  Unique         3.75, 4.22 A)
 &rst
  ixpk= 740, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1225,1226,
 &end
#
#    0 AMB  25-2:741      0 AMB  25-1:741    3.50    (#    741:25  Double Ambig)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1228,1219,1220,
 igr2=1225,1226,1225,1226,
 &end
#
#   79 PRO  HD+          79 PRO  HB+         4.50    (#    743:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 743, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1219,1220,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG+          79 PRO  HB+         2.50    (#    744:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG-          79 PRO  HB+         3.50    (#    745:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#    0 AMB  25-2:746     79 PRO  HB-         2.50    (#    746:25  Single Ambig)
 &rst
  ixpk= 746, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1228,1219,1220,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG+          79 PRO  HB-         3.50    (#    747:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG-          79 PRO  HB-         2.50    (#    749:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1222,1223,
 igr2=1225,1226,
 &end
#
#   43 GLN  QG           43 GLN  QB          2.50    (#    752:25  Unique         2.25, 2.70 A)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 685, 686,
 igr2= 682, 683,
 &end
#
#   90 ARG  HN           90 ARG  HB+         3.50    (#    754:25  Unique         2.17, 3.07 A)
 &rst
  ixpk= 754, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   90 ARG  HA           90 ARG  HB+         3.50    (#    755:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 755, nxpk= 25, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   90 ARG  HN           90 ARG  HB-         3.50    (#    756:25  Unique         2.17, 3.07 A)
 &rst
  ixpk= 756, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   90 ARG  HA           90 ARG  HB-         3.50    (#    757:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 757, nxpk= 25, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1392,1393,
 &end
#
#   74 GLU  HN           74 GLU  HB-         4.50    (#    767:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 767, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1146,1147,
 &end
#
#   74 GLU  HG+          74 GLU  HB-         2.50    (#    768:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1149,1150,
 igr2=1146,1147,
 &end
#
#   75 TYR  HN           74 GLU  HB-         3.50    (#    769:25  Unique         2.57, 3.23 A)
 &rst
  ixpk= 769, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1146,1147,
 &end
#
#   74 GLU  HA           74 GLU  HB-         3.50    (#    770:25  Unique         2.47, 2.78 A)
 &rst
  ixpk= 770, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1146,1147,
 &end
#
#   74 GLU  HN           74 GLU  HB+         4.50    (#    771:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 771, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1146,1147,
 &end
#
#   74 GLU  HA           74 GLU  HB+         3.50    (#    772:25  Unique         2.47, 2.78 A)
 &rst
  ixpk= 772, nxpk= 25, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1146,1147,
 &end
#
#   74 GLU  HG+          74 GLU  HB+         3.50    (#    773:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,
 igr2=1146,1147,
 &end
#
#   71 GLU  HN           71 GLU  HB+         3.50    (#    777:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 777, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   71 GLU  HA           71 GLU  HB+         3.50    (#    778:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 778, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#    0 AMB  25-2:779      0 AMB  25-1:779    3.50    (#    779:25  Double Ambig)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1099,1100,1149,1150,
 igr2=1096,1097,1096,1097,
 &end
#
#   71 GLU  HN           71 GLU  HB-         3.50    (#    780:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 780, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   71 GLU  HA           71 GLU  HB-         3.50    (#    781:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 781, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   71 GLU  HG+          71 GLU  HB-         3.50    (#    782:25  Unique         2.27, 2.75 A)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#    0 AMB  25-2:783     31 LYS  QD          2.50    (#    783:25  Single Ambig)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 645, 646, 647, 610, 611, 488, 489,
 igr2= 491, 492,
 &end
#
#    0 AMB  25-2:784     31 LYS  QD          3.50    (#    784:25  Single Ambig)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 491, 492,
 &end
#
#   70 LYS  HN           70 LYS  QD          4.50    (#    785:25  Unique         2.51, 4.10 A)
 &rst
  ixpk= 785, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1080,1081,
 &end
#
#   75 TYR  HD           70 LYS  QD          4.50    (#    786:25  Unique         3.06, 6.16 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1080,1081,
 &end
#
#   70 LYS  QE           70 LYS  QD          2.50    (#    787:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1083,1084,
 igr2=1080,1081,
 &end
#
#   70 LYS  QG           70 LYS  QD          2.50    (#    789:25  Unique         2.34, 2.71 A)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1077,1078,
 igr2=1080,1081,
 &end
#
#   70 LYS  HA           70 LYS  QD          2.50    (#    790:25  Unique         2.26, 2.96 A)
 &rst
  ixpk= 790, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1080,1081,
 &end
#
#    0 AMB  25-2:792     31 LYS  QD          2.50    (#    792:25  Single Ambig)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 494, 495, 526, 527,
 igr2= 491, 492,
 &end
#
#   56 ILE  HA           56 ILE  HG1-        4.50    (#    800:25  Unique         2.53, 2.87 A)
 &rst
  ixpk= 800, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 886, 887,
 &end
#
#    0 AMB  25-2:803      0 AMB  25-1:803    4.50    (#    803:25  Double Ambig)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 551, 982,
 igr2= 555, 556, 555, 556,
 &end
#
#   35 GLU  HA           35 GLU  HB+         3.50    (#    804:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 555, 556,
 &end
#
#   35 GLU  HN           35 GLU  HB-         4.50    (#    806:25  Unique         2.89, 3.75 A)
 &rst
  ixpk= 806, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 555, 556,
 &end
#
#   83 PRO  HD+          83 PRO  HG-         3.50    (#    809:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#   83 PRO  HD-          83 PRO  HG-         3.50    (#    810:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#    0 AMB  25-2:812      0 AMB  25-1:812    5.50    (#    812:25  Double Ambig)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1426, 217,
 igr2=1416,1417, 207, 208,
 &end
#
#    0 AMB  25-2:814      0 AMB  25-1:814    3.50    (#    814:25  Double Ambig)
 &rst
  ixpk= 814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 213,1422,
 igr2= 207, 208,1416,1417,
 &end
#
#    0 AMB  25-2:815      0 AMB  25-1:815    2.50    (#    815:25  Double Ambig)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 204, 205, 204, 205,1413,1414,1413,1414,
 igr2= 207, 208,1416,1417,
 &end
#
#   14 PRO  HB+          14 PRO  QG          2.50    (#    816:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 210, 211,
 igr2= 207, 208,
 &end
#
#   83 PRO  HD-          83 PRO  HG+         3.50    (#    818:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#   83 PRO  HD+          83 PRO  HG+         3.50    (#    819:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#   84 VAL  MGX          83 PRO  HG+         4.50    (#    822:25  Unique         4.54, 6.99 A)
 &rst
  ixpk= 822, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2=1281,1282,
 &end
#
#   86 ILE  MG2          56 ILE  HG1-        3.50    (#    826:25  Unique         2.21, 3.81 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1324,1325,1326,
 igr2= 886, 887,
 &end
#
#   52 ALA  MB           91 PRO  QG          5.50    (#    828:25  Unique         2.26, 4.96 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 825, 826, 827,
 igr2=1416,1417,
 &end
#
#   73 LEU  HN           73 LEU  HG          3.50    (#    831:25  Unique         2.29, 2.51 A)
 &rst
  ixpk= 831, nxpk= 25, iat=1123,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 LEU  HA           73 LEU  HG          4.50    (#    832:25  Unique         2.40, 3.15 A)
 &rst
  ixpk= 832, nxpk= 25, iat=1125,1130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:833     38 LEU  HG          4.50    (#    833:25  Single Ambig)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527, 494, 495,
 &end
#
#   38 LEU  MDY          38 LEU  HG          2.50    (#    834:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 615, 616, 617, 619, 620, 621,
 &end
#
#   39 VAL  HN           38 LEU  HG          5.50    (#    835:25  Unique         2.55, 4.47 A)
 &rst
  ixpk= 835, nxpk= 25, iat= 625, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLY  HA+          38 LEU  HG          5.50    (#    836:25  Unique         2.84, 5.34 A)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 799, 800,
 &end
#
#   76 LEU  MDX          76 LEU  HG          3.50    (#    849:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:850     76 LEU  HG          2.50    (#    850:25  Single Ambig)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#   39 VAL  HA           38 LEU  HG          7.00    (#    851:25  Unique         5.03, 6.62 A)
 &rst
  ixpk= 851, nxpk= 25, iat= 627, 613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   90 ARG  HN           90 ARG  QG          3.50    (#    854:25  Unique         1.99, 3.24 A)
 &rst
  ixpk= 854, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#    0 AMB  25-2:855     90 ARG  QG          3.50    (#    855:25  Single Ambig)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390, 806,
 igr2=1395,1396,
 &end
#
#   76 LEU  HN           76 LEU  MDY         3.50    (#    862:25  Unique         3.71, 4.51 A)
 &rst
  ixpk= 862, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   75 TYR  HD           76 LEU  MDY         4.50    (#    863:25  Unique         2.66, 6.55 A)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1165,1174,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HA           76 LEU  MDY         3.50    (#    864:25  Unique         2.17, 3.84 A)
 &rst
  ixpk= 864, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HG           76 LEU  MDY         2.50    (#    865:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 865, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   86 ILE  MG2          76 LEU  MDY         3.50    (#    866:25  Unique         3.91, 6.01 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1324,1325,1326,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:868     38 LEU  MDX         3.50    (#    868:25  Single Ambig)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 606, 625,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   38 LEU  HA           38 LEU  MDX         5.50    (#    870:25  Unique         2.19, 3.90 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   37 VAL  HA            0 AMB  25-1:871    5.50    (#    871:25  Single Ambig)
 &rst
  ixpk= 871, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 615, 616, 617, 619, 620, 621,1132,1133,1134,1136,
      1137,1138,
 &end
#
#   33 HIS  HB+          38 LEU  MDX         3.50    (#    872:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 526, 527,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:873     38 LEU  MDX         3.50    (#    873:25  Single Ambig)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 494, 495, 526, 527,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:874     38 LEU  MDX         2.50    (#    874:25  Single Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 825, 826, 827, 610, 611,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:875      0 AMB  25-1:875    2.50    (#    875:25  Double Ambig)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 466, 467,1182,1183,
 igr2= 469,1187,1188,1189,1191,1192,1193,
 &end
#
#   30 LEU  HB-          30 LEU  HG          3.50    (#    876:25  Unique         2.28, 2.69 A)
 &rst
  ixpk= 876, nxpk= 25, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 466, 467,
 &end
#
#   80 ALA  HN           79 PRO  HG+         3.50    (#    877:25  Unique         2.79, 3.74 A)
 &rst
  ixpk= 877, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1222,1223,
 &end
#
#   78 ASN  HA           79 PRO  HG+         5.50    (#    878:25  Unique         4.42, 4.55 A)
 &rst
  ixpk= 878, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD+          79 PRO  HG+         3.50    (#    879:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD-          79 PRO  HG+         3.50    (#    880:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD+          79 PRO  HG-         3.50    (#    882:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   79 PRO  HD-          79 PRO  HG-         3.50    (#    883:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 883, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1219,1220,
 igr2=1222,1223,
 &end
#
#   73 LEU  HN           73 LEU  MDX         3.50    (#    885:25  Unique         1.88, 4.33 A)
 &rst
  ixpk= 885, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   73 LEU  HA           73 LEU  MDX         3.50    (#    886:25  Unique         2.18, 3.82 A)
 &rst
  ixpk= 886, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   31 LYS  HA           73 LEU  MDX         4.50    (#    887:25  Unique         2.60, 4.06 A)
 &rst
  ixpk= 887, nxpk= 25, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   73 LEU  HB+          73 LEU  MDX         2.50    (#    888:25  Unique         2.42, 3.35 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1127,1128,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  25-2:889     73 LEU  MDX         2.50    (#    889:25  Single Ambig)
 &rst
  ixpk= 889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 507, 508,1130, 986, 987,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   32 LEU  HA            0 AMB  25-1:890    5.50    (#    890:25  Single Ambig)
 &rst
  ixpk= 890, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=1132,1133,1134,1136,1137,1138, 615, 616, 617, 619,
       620, 621,
 &end
#
#   50 GLY  HA+          38 LEU  MDX         4.50    (#    891:25  Unique         2.39, 5.50 A)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 799, 800,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   50 GLY  HA-          38 LEU  MDX         4.50    (#    892:25  Unique         2.39, 5.50 A)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 799, 800,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   36 ARG  HD-          38 LEU  MDX         7.00    (#    893:25  Unique         3.02, 6.95 A)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 576, 577,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:899     73 LEU  MDX         2.50    (#    899:25  Single Ambig)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 507, 508,1127,1128,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   32 LEU  HN           73 LEU  MDX         4.50    (#    900:25  Unique         2.36, 4.50 A)
 &rst
  ixpk= 900, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   64 ARG  HE           32 LEU  MDY         5.50    (#    911:25  Unique         2.38, 4.36 A)
 &rst
  ixpk= 911, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   65 TYR  HE           32 LEU  MDY         4.50    (#    912:25  Unique         5.32, 7.39 A)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1016,1021,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HA           32 LEU  MDY         3.50    (#    913:25  Unique         2.34, 3.93 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   37 VAL  HA           32 LEU  MDY         4.50    (#    914:25  Unique         3.24, 5.50 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HA           32 LEU  MDY         4.50    (#    916:25  Unique         2.21, 4.07 A)
 &rst
  ixpk= 916, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  QD           32 LEU  MDY         3.50    (#    917:25  Unique         2.19, 4.23 A)
 &rst
  ixpk= 917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 992, 993,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:918     32 LEU  MDY         4.50    (#    918:25  Single Ambig)
 &rst
  ixpk= 918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 558, 559, 555, 556,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:919     32 LEU  MDY         2.50    (#    919:25  Single Ambig)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 986, 987, 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HB-          32 LEU  MDY         2.50    (#    920:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   70 LYS  HN           70 LYS  QG          5.50    (#    929:25  Unique         2.06, 2.94 A)
 &rst
  ixpk= 929, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1077,1078,
 &end
#
#   70 LYS  HA           70 LYS  QG          3.50    (#    930:25  Unique         2.62, 3.52 A)
 &rst
  ixpk= 930, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1077,1078,
 &end
#
#   70 LYS  QE           70 LYS  QG          3.50    (#    931:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1083,1084,
 igr2=1077,1078,
 &end
#
#   70 LYS  HB-          70 LYS  QG          3.50    (#    932:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1074,1075,
 igr2=1077,1078,
 &end
#
#   70 LYS  QD           70 LYS  QG          2.50    (#    933:25  Unique         2.34, 2.71 A)
 &rst
  ixpk= 933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1080,1081,
 igr2=1077,1078,
 &end
#
#   66 THR  MG2          70 LYS  QG          5.50    (#    934:25  Unique         3.75, 5.01 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1033,1034,1035,
 igr2=1077,1078,
 &end
#
#    0 AMB  25-2:935      0 AMB  25-1:935    4.50    (#    935:25  Double Ambig)
 &rst
  ixpk= 935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 995,1006,
 igr2= 989, 990, 989, 990,
 &end
#
#   64 ARG  HN           64 ARG  HG+         4.50    (#    937:25  Unique         2.02, 3.14 A)
 &rst
  ixpk= 937, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-2:938      0 AMB  25-1:938    2.50    (#    938:25  Double Ambig)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 507, 508, 134, 135, 137, 466, 467,
 igr2=1132,1133,1134,1136,1137,1138, 139, 140, 141, 143,
       144, 145,
 &end
#
#   33 HIS  HN           32 LEU  MDY         4.50    (#    942:25  Unique         2.22, 4.56 A)
 &rst
  ixpk= 942, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HN           32 LEU  MDY         4.50    (#    943:25  Unique         2.91, 4.95 A)
 &rst
  ixpk= 943, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  QD           64 ARG  HG-         3.50    (#    945:25  Unique         2.24, 2.70 A)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 992, 993,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-2:947     31 LYS  HG-         2.50    (#    947:25  Single Ambig)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 494, 495, 526, 527,
 igr2= 488, 489,
 &end
#
#   10 ASP  HN            9 LEU  MDY         4.50    (#    950:25  Unique         2.08, 4.71 A)
 &rst
  ixpk= 950, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#   31 LYS  HN           31 LYS  HG-         4.50    (#    954:25  Unique         2.36, 3.65 A)
 &rst
  ixpk= 954, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:955     31 LYS  HG-         4.50    (#    955:25  Single Ambig)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 483, 524,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:956     31 LYS  HG-         2.50    (#    956:25  Single Ambig)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 485, 486, 491, 492, 610, 611,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:957      0 AMB  25-1:957    2.50    (#    957:25  Double Ambig)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 485, 486, 491, 492, 610, 611,
 igr2= 488, 489, 488, 489, 488, 489,
 &end
#
#    0 AMB  25-2:958      0 AMB  25-1:958    4.50    (#    958:25  Double Ambig)
 &rst
  ixpk= 958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 483, 524,
 igr2= 488, 489, 488, 489,
 &end
#
#    9 LEU  HA            9 LEU  MDY         3.50    (#    959:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 959, nxpk= 25, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#    0 AMB  25-2:962      9 LEU  MDY         2.50    (#    962:25  Single Ambig)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 134, 135, 137,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#   32 LEU  HA           37 VAL  MGY         4.50    (#    966:25  Unique         2.22, 4.52 A)
 &rst
  ixpk= 966, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   33 HIS  HN           32 LEU  MDX         3.50    (#    967:25  Unique         2.22, 4.56 A)
 &rst
  ixpk= 967, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HN           32 LEU  MDX         3.50    (#    968:25  Unique         2.91, 4.95 A)
 &rst
  ixpk= 968, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  HE           32 LEU  MDX         5.50    (#    970:25  Unique         2.38, 4.36 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   36 ARG  HN           32 LEU  MDX         4.50    (#    971:25  Unique         2.45, 5.03 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   65 TYR  HE           32 LEU  MDX         4.50    (#    973:25  Unique         5.32, 7.39 A)
 &rst
  ixpk= 973, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1016,1021,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HA           32 LEU  MDX         3.50    (#    975:25  Unique         2.34, 3.93 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   35 GLU  HA           32 LEU  MDX         3.50    (#    977:25  Unique         2.21, 4.07 A)
 &rst
  ixpk= 977, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   64 ARG  QD           32 LEU  MDX         3.50    (#    978:25  Unique         2.19, 4.23 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 992, 993,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:979     32 LEU  MDX         4.50    (#    979:25  Single Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 558, 559, 555, 556,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  25-2:980     32 LEU  MDX         2.50    (#    980:25  Single Ambig)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 986, 987, 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   32 LEU  HB-          32 LEU  MDX         2.50    (#    981:25  Unique         2.31, 3.34 A)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 507, 508,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   25 PRO  HD+          25 PRO  QG          2.50    (#    987:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 380, 381,
 igr2= 383, 384,
 &end
#
#    0 AMB  25-2:988     25 PRO  QG          2.50    (#    988:25  Single Ambig)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 380, 381, 389,
 igr2= 383, 384,
 &end
#
#   25 PRO  HB+          25 PRO  QG          2.50    (#    989:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 386, 387,
 igr2= 383, 384,
 &end
#
#   32 LEU  HN           73 LEU  MDY         3.50    (#   1000:25  Unique         2.36, 4.50 A)
 &rst
  ixpk= 1000, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   37 VAL  HA           37 VAL  MGY         2.50    (#   1001:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1001, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  25-2:1002    37 VAL  MGY         2.50    (#   1002:25  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 835, 594,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   61 VAL  HN           72 VAL  MGX         5.50    (#   1004:25  Unique         5.82, 7.42 A)
 &rst
  ixpk= 1004, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1012    38 LEU  MDY         2.50    (#   1012:25  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 823, 608,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   50 GLY  HA-          38 LEU  MDY         4.50    (#   1013:25  Unique         2.39, 5.50 A)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 799, 800,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   33 HIS  HB+          38 LEU  MDY         5.50    (#   1014:25  Unique         2.32, 4.90 A)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 526, 527,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#    0 AMB  25-2:1015    38 LEU  MDY         2.50    (#   1015:25  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 825, 826, 827, 610, 611,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   31 LYS  HA           73 LEU  MDY         4.50    (#   1017:25  Unique         2.60, 4.06 A)
 &rst
  ixpk= 1017, nxpk= 25, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   66 THR  HN           72 VAL  MGX         4.50    (#   1019:25  Unique         3.18, 5.43 A)
 &rst
  ixpk= 1019, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1020     0 AMB  25-1:1020   3.50    (#   1020:25  Double Ambig)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1123, 481,
 igr2=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119, 596, 597, 598, 600, 601, 602,
 &end
#
#   72 VAL  HN           72 VAL  MGX         2.50    (#   1021:25  Unique         2.11, 3.74 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   65 TYR  HN           72 VAL  MGX         4.50    (#   1022:25  Unique         3.58, 5.67 A)
 &rst
  ixpk= 1022, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   75 TYR  HD           72 VAL  MGX         4.50    (#   1024:25  Unique         3.89, 6.80 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1165,1174,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   65 TYR  HA           72 VAL  MGX         3.50    (#   1025:25  Unique         2.43, 5.00 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#   64 ARG  HA            0 AMB  25-1:1026   4.50    (#   1026:25  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 596, 597, 598, 600, 601, 602,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   73 LEU  HA           73 LEU  MDY         2.50    (#   1027:25  Unique         2.18, 3.82 A)
 &rst
  ixpk= 1027, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1132,1133,1134,1136,1137,1138,
 &end
#
#   72 VAL  HA           72 VAL  MGX         2.50    (#   1030:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 1030, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1032     0 AMB  25-1:1032   4.50    (#   1032:25  Double Ambig)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1096,1097,1096,1097,
 igr2=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,
 &end
#
#    0 AMB  25-2:1033     0 AMB  25-1:1033   2.50    (#   1033:25  Double Ambig)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1111,1130,
 igr2= 596, 597, 598, 600, 601, 602,1132,1133,1134,1136,
      1137,1138,1113,1114,1115,1117,1118,1119,
 &end
#
#   40 ALA  HN           30 LEU  MDX         4.50    (#   1034:25  Unique         2.93, 5.18 A)
 &rst
  ixpk= 1034, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   31 LYS  HN           30 LEU  MDX         4.50    (#   1035:25  Unique         3.40, 5.25 A)
 &rst
  ixpk= 1035, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   30 LEU  HN           30 LEU  MDX         3.50    (#   1036:25  Unique         3.02, 4.83 A)
 &rst
  ixpk= 1036, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   88 PHE  HD           30 LEU  MDX         4.50    (#   1037:25  Unique         4.47, 7.51 A)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1369,1377,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   29 LEU  HA           30 LEU  MDX         4.50    (#   1039:25  Unique         2.73, 5.41 A)
 &rst
  ixpk= 1039, nxpk= 25, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   39 VAL  HA           30 LEU  MDX         2.50    (#   1040:25  Unique         2.09, 4.11 A)
 &rst
  ixpk= 1040, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   39 VAL  HB           30 LEU  MDX         4.50    (#   1041:25  Unique         4.60, 6.58 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   30 LEU  HB+          30 LEU  MDX         2.50    (#   1042:25  Unique         2.37, 3.37 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 466, 467,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#    0 AMB  25-2:1043    30 LEU  MDX         4.50    (#   1043:25  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 645, 646, 647, 610, 611,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   30 LEU  HB-          30 LEU  MDX         2.50    (#   1044:25  Unique         2.37, 3.37 A)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 466, 467,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   86 ILE  MG2          30 LEU  MDX         5.50    (#   1045:25  Unique         3.30, 6.25 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1324,1325,1326,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   10 ASP  HN            9 LEU  MDX         4.50    (#   1049:25  Unique         2.08, 4.71 A)
 &rst
  ixpk= 1049, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#    0 AMB  25-2:1052     9 LEU  MDX         2.50    (#   1052:25  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 134, 135, 137,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#    9 LEU  HA            9 LEU  MDX         3.50    (#   1056:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1056, nxpk= 25, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 139, 140, 141, 143, 144, 145,
 &end
#
#   32 LEU  HA           38 LEU  MDY         5.50    (#   1061:25  Unique         3.98, 6.55 A)
 &rst
  ixpk= 1061, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 615, 616, 617, 619, 620, 621,
 &end
#
#   30 LEU  HA           30 LEU  MDX         3.50    (#   1063:25  Unique         2.19, 3.91 A)
 &rst
  ixpk= 1063, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 471, 472, 473, 475, 476, 477,
 &end
#
#   76 LEU  HN           76 LEU  MDX         3.50    (#   1069:25  Unique         3.71, 4.51 A)
 &rst
  ixpk= 1069, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  25-2:1071    76 LEU  MDX         3.50    (#   1071:25  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 368, 373,1251,1252,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HA           76 LEU  MDX         3.50    (#   1072:25  Unique         2.17, 3.84 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  HG           76 LEU  MDX         2.50    (#   1074:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   86 ILE  MG2          76 LEU  MDX         3.50    (#   1075:25  Unique         3.91, 6.01 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1324,1325,1326,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   75 TYR  HB-          76 LEU  MDX         4.50    (#   1076:25  Unique         4.39, 6.28 A)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1161,1162,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   41 PHE  HB-          49 VAL  MGX         5.50    (#   1078:25  Unique         4.31, 6.64 A)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 655, 656,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   50 GLY  HN           49 VAL  MGX         4.50    (#   1079:25  Unique         2.63, 4.48 A)
 &rst
  ixpk= 1079, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   42 GLY  HN           49 VAL  MGX         3.50    (#   1080:25  Unique         2.31, 4.95 A)
 &rst
  ixpk= 1080, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   41 PHE  HA           49 VAL  MGX         3.50    (#   1081:25  Unique         2.16, 4.11 A)
 &rst
  ixpk= 1081, nxpk= 25, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HA           49 VAL  MGX         3.50    (#   1082:25  Unique         2.31, 3.44 A)
 &rst
  ixpk= 1082, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   43 GLN  QG           49 VAL  MGX         4.50    (#   1083:25  Unique         2.39, 5.90 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 685, 686,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   78 ASN  HN           76 LEU  MDX         5.50    (#   1085:25  Unique         5.71, 7.51 A)
 &rst
  ixpk= 1085, nxpk= 25, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
#   39 VAL  HA           49 VAL  MGX         5.50    (#   1091:25  Unique         4.78, 7.14 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HB           49 VAL  MGX         2.50    (#   1092:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#    0 AMB  25-2:1093    66 THR  MG2         5.50    (#   1093:25  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1107, 961,
 igr2=1033,1034,1035,
 &end
#
#   40 ALA  HN           39 VAL  MGX         5.50    (#   1094:25  Unique         2.75, 4.46 A)
 &rst
  ixpk= 1094, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1095     0 AMB  25-1:1095   3.50    (#   1095:25  Double Ambig)
 &rst
  ixpk= 1095, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1123, 821,
 igr2=1113,1114,1115,1117,1118,1119, 856, 857, 858, 860,
       861, 862,
 &end
#
#   88 PHE  HD            0 AMB  25-1:1097   3.50    (#   1097:25  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1369,1377,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#   52 ALA  HA            0 AMB  25-1:1099   4.50    (#   1099:25  Single Ambig)
 &rst
  ixpk= 1099, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#    0 AMB  25-2:1100     0 AMB  25-1:1100   2.50    (#   1100:25  Double Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 627,1125,
 igr2= 631, 632, 633, 635, 636, 637,1113,1114,1115,1117,
      1118,1119,
 &end
#
#    0 AMB  25-2:1101     0 AMB  25-1:1101   2.50    (#   1101:25  Double Ambig)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 808, 809, 833,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#    0 AMB  25-2:1102     0 AMB  25-1:1102   4.50    (#   1102:25  Double Ambig)
 &rst
  ixpk= 1102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 808, 809,1365,1366,1365,1366,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#   39 VAL  HB           39 VAL  MGX         2.50    (#   1103:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1104     0 AMB  25-1:1104   2.50    (#   1104:25  Double Ambig)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 835, 594, 949,
 igr2= 837, 838, 839, 841, 842, 843,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   86 ILE  MG2          53 VAL  MGX         2.50    (#   1105:25  Unique         2.32, 4.12 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1324,1325,1326,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  25-2:1106     0 AMB  25-1:1106   2.50    (#   1106:25  Double Ambig)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 625,1381,1388,
 igr2= 631, 632, 633, 635, 636, 637, 856, 857, 858, 860,
       861, 862,
 &end
#
#   88 PHE  HA           54 LEU  MDY         4.50    (#   1107:25  Unique         2.39, 4.85 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-2:1108     0 AMB  25-1:1108   3.50    (#   1108:25  Double Ambig)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 804, 876,
 igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 &end
#
#   65 TYR  HN           61 VAL  MGX         4.50    (#   1112:25  Unique         4.93, 5.97 A)
 &rst
  ixpk= 1112, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   61 VAL  HN           61 VAL  MGX         2.50    (#   1113:25  Unique         2.18, 3.26 A)
 &rst
  ixpk= 1113, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   61 VAL  HA           61 VAL  MGX         2.50    (#   1115:25  Unique         2.38, 3.51 A)
 &rst
  ixpk= 1115, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   38 LEU  MDY          52 ALA  MB          2.50    (#   1119:25  Unique         2.24, 5.02 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 615, 616, 617, 619, 620, 621,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:1121    52 ALA  MB          4.50    (#   1121:25  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 613, 570, 571,
 igr2= 825, 826, 827,
 &end
#
#   22 PHE  HN           21 THR  MG2         4.50    (#   1122:25  Unique         2.43, 4.33 A)
 &rst
  ixpk= 1122, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 319, 320, 321,
 &end
#
#   85 SER  HA           21 THR  MG2         4.50    (#   1124:25  Unique         2.63, 3.78 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 319, 320, 321,
 &end
#
#   21 THR  HA           21 THR  MG2         3.50    (#   1125:25  Unique         2.29, 2.94 A)
 &rst
  ixpk= 1125, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 319, 320, 321,
 &end
#
#   21 THR  HB           21 THR  MG2         2.50    (#   1126:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 319, 320, 321,
 &end
#
#   50 GLY  HA-          49 VAL  MGX         5.50    (#   1129:25  Unique         3.59, 5.94 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 799, 800,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   66 THR  HN           66 THR  MG2         3.50    (#   1131:25  Unique         2.34, 3.22 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1033,1034,1035,
 &end
#
#    0 AMB  25-2:1132    66 THR  MG2         3.50    (#   1132:25  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1041,1092,
 igr2=1033,1034,1035,
 &end
#
#    0 AMB  25-2:1134    66 THR  MG2         4.50    (#   1134:25  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1051,1006,
 igr2=1033,1034,1035,
 &end
#
#   57 ASN  HD2-         84 VAL  MGX         4.50    (#   1135:25  Unique         1.84, 5.12 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 904, 905,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   57 ASN  HD2+         84 VAL  MGX         4.50    (#   1136:25  Unique         1.84, 5.12 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 904, 905,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   75 TYR  HD            0 AMB  25-1:1137   4.50    (#   1137:25  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1165,1174,
 igr2=1033,1034,1035,1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1138    84 VAL  MGX         4.50    (#   1138:25  Single Ambig)
 &rst
  ixpk= 1138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1167,1172, 368, 373,1251,1252,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   65 TYR  HA           66 THR  MG2         4.50    (#   1140:25  Unique         3.84, 4.99 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1033,1034,1035,
 &end
#
#   84 VAL  HA           84 VAL  MGX         3.50    (#   1141:25  Unique         2.37, 3.52 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1143     0 AMB  25-1:1143   2.50    (#   1143:25  Double Ambig)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1031,1029,1180,
 igr2=1033,1034,1035,1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1144    84 VAL  MGX         5.50    (#   1144:25  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 317,1311,1312,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   72 VAL  HA           66 THR  MG2         3.50    (#   1146:25  Unique         2.90, 3.83 A)
 &rst
  ixpk= 1146, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1033,1034,1035,
 &end
#
#    0 AMB  25-2:1147     0 AMB  25-1:1147   4.50    (#   1147:25  Double Ambig)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 331, 332,1161,1162,
 igr2=1297,1298,1299,1301,1302,1303,1033,1034,1035,
 &end
#
#    0 AMB  25-2:1150     0 AMB  25-1:1150   2.50    (#   1150:25  Double Ambig)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1295,1074,1075,
 igr2=1297,1298,1299,1301,1302,1303,1033,1034,1035,
 &end
#
#    0 AMB  25-2:1151    66 THR  MG2         3.50    (#   1151:25  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 880,1077,1078,
 igr2=1033,1034,1035,
 &end
#
#   86 ILE  MG2          84 VAL  MGX         5.50    (#   1153:25  Unique         5.21, 7.72 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1324,1325,1326,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   72 VAL  HA           72 VAL  MGY         2.50    (#   1154:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 1154, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  25-2:1156     0 AMB  25-1:1156   3.50    (#   1156:25  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
 igr1= 986, 987, 466, 467,1392,1393,1182,1183, 466, 467,
       613,
 igr2=1113,1114,1115,1117,1118,1119, 837, 838, 839, 841,
       842, 843, 856, 857, 858, 860, 861, 862, 631, 632,
       633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1157     0 AMB  25-1:1157   3.50    (#   1157:25  Double Ambig)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 886, 887, 870, 871, 872,
 igr2= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
       861, 862,
 &end
#
#   54 LEU  HA           54 LEU  MDY         2.50    (#   1159:25  Unique         2.14, 3.78 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-2:1160     0 AMB  25-1:1160   3.50    (#   1160:25  Double Ambig)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 680,1422,
 igr2= 631, 632, 633, 635, 636, 637, 856, 857, 858, 860,
       861, 862,
 &end
#
#    0 AMB  25-2:1161     0 AMB  25-1:1161   2.50    (#   1161:25  Double Ambig)
 &rst
  ixpk= 1161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 851, 852, 825, 826, 827, 986, 987,
 igr2= 856, 857, 858, 860, 861, 862,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   40 ALA  HN           39 VAL  MGY         4.50    (#   1164:25  Unique         2.75, 4.46 A)
 &rst
  ixpk= 1164, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  HN           39 VAL  MGY         3.50    (#   1165:25  Unique         2.12, 3.80 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   51 HIS  HN           39 VAL  MGY         4.50    (#   1166:25  Unique         3.53, 4.64 A)
 &rst
  ixpk= 1166, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   41 PHE  HN           39 VAL  MGY         3.50    (#   1167:25  Unique         2.90, 4.88 A)
 &rst
  ixpk= 1167, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  HA           39 VAL  MGY         3.50    (#   1169:25  Unique         2.47, 3.15 A)
 &rst
  ixpk= 1169, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#    0 AMB  25-2:1170    39 VAL  MGY         2.50    (#   1170:25  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 783, 808, 809,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   39 VAL  HB           39 VAL  MGY         2.50    (#   1171:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1171, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   52 ALA  HN           52 ALA  MB          3.50    (#   1174:25  Unique         2.35, 3.04 A)
 &rst
  ixpk= 1174, nxpk= 25, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:1175    52 ALA  MB          4.50    (#   1175:25  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1381,1388, 625,
 igr2= 825, 826, 827,
 &end
#
#   52 ALA  HA           52 ALA  MB          2.50    (#   1177:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1177, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:1178    52 ALA  MB          4.50    (#   1178:25  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1390, 806, 849,
 igr2= 825, 826, 827,
 &end
#
#   91 PRO  HA           52 ALA  MB          4.50    (#   1179:25  Unique         2.11, 3.10 A)
 &rst
  ixpk= 1179, nxpk= 25, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 825, 826, 827,
 &end
#
#   58 GLY  HN           55 ALA  MB          3.50    (#   1184:25  Unique         3.18, 4.21 A)
 &rst
  ixpk= 1184, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 870, 871, 872,
 &end
#
#   60 ASP  HN           55 ALA  MB          3.50    (#   1185:25  Unique         3.78, 4.51 A)
 &rst
  ixpk= 1185, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 870, 871, 872,
 &end
#
#   56 ILE  HN           55 ALA  MB          2.50    (#   1186:25  Unique         2.55, 3.38 A)
 &rst
  ixpk= 1186, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 870, 871, 872,
 &end
#
#    0 AMB  25-2:1187    55 ALA  MB          3.50    (#   1187:25  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 866, 945,
 igr2= 870, 871, 872,
 &end
#
#   60 ASP  HA           55 ALA  MB          2.50    (#   1190:25  Unique         2.22, 3.09 A)
 &rst
  ixpk= 1190, nxpk= 25, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 870, 871, 872,
 &end
#
#   58 GLY  HA+          55 ALA  MB          3.50    (#   1191:25  Unique         3.16, 4.95 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 911, 912,
 igr2= 870, 871, 872,
 &end
#
#   60 ASP  HB+          55 ALA  MB          4.50    (#   1194:25  Unique         3.45, 5.09 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 937, 938,
 igr2= 870, 871, 872,
 &end
#
#    0 AMB  25-2:1196    55 ALA  MB          3.50    (#   1196:25  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 856, 857, 858, 860, 861, 862, 951, 952, 953, 955,
       956, 957, 886, 887,
 igr2= 870, 871, 872,
 &end
#
#   86 ILE  MG2          55 ALA  MB          5.50    (#   1198:25  Unique         5.55, 7.04 A)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1324,1325,1326,
 igr2= 870, 871, 872,
 &end
#
#    0 AMB  25-2:1201    84 VAL  MGX         3.50    (#   1201:25  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1307, 347,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1213    94 THR  MG2         3.50    (#   1213:25  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1471,1452,
 igr2=1475,1476,1477,
 &end
#
#   94 THR  HB           94 THR  MG2         2.50    (#   1214:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=1473,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1475,1476,1477,
 &end
#
#    0 AMB  25-2:1221    37 VAL  MGX         3.50    (#   1221:25  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 606,1107,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 VAL  HN           37 VAL  MGX         3.50    (#   1222:25  Unique         2.00, 3.81 A)
 &rst
  ixpk= 1222, nxpk= 25, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 VAL  HA           37 VAL  MGX         2.50    (#   1223:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1223, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   64 ARG  HA           37 VAL  MGX         3.50    (#   1224:25  Unique         2.07, 4.07 A)
 &rst
  ixpk= 1224, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  25-2:1225     0 AMB  25-1:1225   5.50    (#   1225:25  Double Ambig)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1125,1278,1279,
 igr2= 596, 597, 598, 600, 601, 602,1297,1298,1299,1301,
      1302,1303,
 &end
#
#    0 AMB  25-2:1226    37 VAL  MGX         2.50    (#   1226:25  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 835, 594,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  25-2:1227    37 VAL  MGX         2.50    (#   1227:25  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1111,1130,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   54 LEU  HN           53 VAL  MGY         3.50    (#   1228:25  Unique         2.53, 4.10 A)
 &rst
  ixpk= 1228, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   55 ALA  HN           53 VAL  MGY         3.50    (#   1229:25  Unique         2.79, 4.84 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  25-2:1230    53 VAL  MGY         4.50    (#   1230:25  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 849, 878,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   53 VAL  HA           53 VAL  MGY         2.50    (#   1231:25  Unique         2.45, 3.24 A)
 &rst
  ixpk= 1231, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  25-2:1232    53 VAL  MGY         2.50    (#   1232:25  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 835, 594,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   56 ILE  HG1+         53 VAL  MGY         3.50    (#   1233:25  Unique         2.34, 4.35 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 886, 887,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   86 ILE  MG2          53 VAL  MGY         2.50    (#   1235:25  Unique         2.32, 4.12 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1324,1325,1326,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   41 PHE  HB+          40 ALA  MB          4.50    (#   1237:25  Unique         3.41, 5.00 A)
 &rst
  ixpk= 1237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 655, 656,
 igr2= 645, 646, 647,
 &end
#
#   88 PHE  HD           53 VAL  MGY         4.50    (#   1242:25  Unique         2.99, 6.34 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1369,1377,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   40 ALA  HN           40 ALA  MB          2.50    (#   1246:25  Unique         2.47, 2.98 A)
 &rst
  ixpk= 1246, nxpk= 25, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 645, 646, 647,
 &end
#
#   31 LYS  HN           40 ALA  MB          4.50    (#   1247:25  Unique         2.80, 4.22 A)
 &rst
  ixpk= 1247, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 645, 646, 647,
 &end
#
#   30 LEU  HN           40 ALA  MB          5.50    (#   1248:25  Unique         3.39, 4.30 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 645, 646, 647,
 &end
#
#   41 PHE  HN           40 ALA  MB          3.50    (#   1249:25  Unique         2.47, 3.41 A)
 &rst
  ixpk= 1249, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 645, 646, 647,
 &end
#
#   30 LEU  HA           40 ALA  MB          3.50    (#   1250:25  Unique         2.52, 3.72 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 645, 646, 647,
 &end
#
#   40 ALA  HA           40 ALA  MB          2.50    (#   1251:25  Unique         2.41, 2.68 A)
 &rst
  ixpk= 1251, nxpk= 25, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 645, 646, 647,
 &end
#
#   31 LYS  QE           40 ALA  MB          4.50    (#   1252:25  Unique         4.11, 5.83 A)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 494, 495,
 igr2= 645, 646, 647,
 &end
#
#    0 AMB  25-2:1253    40 ALA  MB          2.50    (#   1253:25  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 491, 492, 485, 486, 447, 448,
 igr2= 645, 646, 647,
 &end
#
#    0 AMB  25-2:1254    40 ALA  MB          4.50    (#   1254:25  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 645, 646, 647,
 &end
#
#    0 AMB  25-2:1255    40 ALA  MB          4.50    (#   1255:25  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 igr2= 645, 646, 647,
 &end
#
#   39 VAL  HA           40 ALA  MB          4.50    (#   1256:25  Unique         4.23, 4.94 A)
 &rst
  ixpk= 1256, nxpk= 25, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 645, 646, 647,
 &end
#
#   43 GLN  HA           49 VAL  MGY         4.50    (#   1257:25  Unique         2.61, 6.01 A)
 &rst
  ixpk= 1257, nxpk= 25, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   40 ALA  MB           49 VAL  MGY         4.50    (#   1259:25  Unique         4.61, 7.57 A)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 645, 646, 647,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   50 GLY  HN           49 VAL  MGY         3.50    (#   1260:25  Unique         2.63, 4.48 A)
 &rst
  ixpk= 1260, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   51 HIS  HN           49 VAL  MGY         5.50    (#   1261:25  Unique         5.07, 6.13 A)
 &rst
  ixpk= 1261, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   42 GLY  HN           49 VAL  MGY         4.50    (#   1263:25  Unique         2.31, 4.95 A)
 &rst
  ixpk= 1263, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   40 ALA  HA           49 VAL  MGY         3.50    (#   1264:25  Unique         2.30, 5.62 A)
 &rst
  ixpk= 1264, nxpk= 25, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HA           49 VAL  MGY         3.50    (#   1265:25  Unique         2.31, 3.44 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   41 PHE  HB+          49 VAL  MGY         5.50    (#   1266:25  Unique         4.31, 6.64 A)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 655, 656,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   43 GLN  QG           49 VAL  MGY         4.50    (#   1267:25  Unique         2.39, 5.90 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 685, 686,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   49 VAL  HB           49 VAL  MGY         2.50    (#   1268:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1268, nxpk= 25, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   62 ASN  HN           61 VAL  MGY         4.50    (#   1270:25  Unique         3.62, 4.72 A)
 &rst
  ixpk= 1270, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   56 ILE  HN           61 VAL  MGY         4.50    (#   1271:25  Unique         2.78, 4.73 A)
 &rst
  ixpk= 1271, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   61 VAL  HN           61 VAL  MGY         2.50    (#   1272:25  Unique         2.18, 3.26 A)
 &rst
  ixpk= 1272, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   66 THR  HA           61 VAL  MGY         3.50    (#   1273:25  Unique         2.20, 4.49 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#    0 AMB  25-2:1274    61 VAL  MGY         3.50    (#   1274:25  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 947, 977, 978,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#    0 AMB  25-2:1275    61 VAL  MGY         2.50    (#   1275:25  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 949, 835,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   56 ILE  HG1+         61 VAL  MGY         3.50    (#   1276:25  Unique         2.42, 4.69 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 886, 887,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   75 TYR  HD           84 VAL  MGY         4.50    (#   1277:25  Unique         3.81, 7.39 A)
 &rst
  ixpk= 1277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1165,1174,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   76 LEU  HA           84 VAL  MGY         4.50    (#   1278:25  Unique         3.41, 5.20 A)
 &rst
  ixpk= 1278, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   81 ASN  HB+          84 VAL  MGY         5.50    (#   1279:25  Unique         2.42, 6.01 A)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1246,1247,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   84 VAL  HB           84 VAL  MGY         2.50    (#   1280:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 1280, nxpk= 25, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   63 GLY  HN           61 VAL  MGY         5.50    (#   1282:25  Unique         2.70, 5.24 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#   54 LEU  HA           61 VAL  MGY         3.50    (#   1284:25  Unique         2.60, 4.66 A)
 &rst
  ixpk= 1284, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 951, 952, 953, 955, 956, 957,
 &end
#
#    0 AMB  25-2:1285    84 VAL  MGY         3.50    (#   1285:25  Single Ambig)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1307, 347,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1287    84 VAL  MGY         2.50    (#   1287:25  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1167,1172, 368, 373,1251,1252,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   84 VAL  HA           84 VAL  MGY         3.50    (#   1289:25  Unique         2.37, 3.52 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   82 TYR  HA           84 VAL  MGY         3.50    (#   1290:25  Unique         3.40, 5.14 A)
 &rst
  ixpk= 1290, nxpk= 25, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1294    16 ALA  MB          3.50    (#   1294:25  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 251, 241,
 igr2= 245, 246, 247,
 &end
#
#    0 AMB  25-2:1295    16 ALA  MB          5.50    (#   1295:25  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 253,1390,
 igr2= 245, 246, 247,
 &end
#
#   16 ALA  HA           16 ALA  MB          2.50    (#   1296:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 1296, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 245, 246, 247,
 &end
#
#   17 GLU  QG           16 ALA  MB          4.50    (#   1299:25  Unique         2.54, 5.57 A)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 258, 259,
 igr2= 245, 246, 247,
 &end
#
#   67 ALA  HN           67 ALA  MB          2.50    (#   1308:25  Unique         2.39, 2.82 A)
 &rst
  ixpk= 1308, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1045,1046,1047,
 &end
#
#   60 ASP  HN           67 ALA  MB          4.50    (#   1309:25  Unique         3.12, 4.58 A)
 &rst
  ixpk= 1309, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1045,1046,1047,
 &end
#
#   68 ASP  HN           67 ALA  MB          3.50    (#   1311:25  Unique         2.58, 3.40 A)
 &rst
  ixpk= 1311, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1045,1046,1047,
 &end
#
#    0 AMB  25-2:1312    67 ALA  MB          4.50    (#   1312:25  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053, 935,
 igr2=1045,1046,1047,
 &end
#
#    0 AMB  25-2:1313    67 ALA  MB          3.50    (#   1313:25  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1031,1029,
 igr2=1045,1046,1047,
 &end
#
#   67 ALA  HA           67 ALA  MB          2.50    (#   1314:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1045,1046,1047,
 &end
#
#    0 AMB  25-2:1315    67 ALA  MB          3.50    (#   1315:25  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 923, 924, 937, 938,
 igr2=1045,1046,1047,
 &end
#
#   59 MET  HB-          67 ALA  MB          2.50    (#   1317:25  Unique         2.32, 3.76 A)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 920, 921,
 igr2=1045,1046,1047,
 &end
#
#   88 PHE  HD           86 ILE  MG2         3.50    (#   1321:25  Unique         2.27, 5.04 A)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1369,1377,
 igr2=1324,1325,1326,
 &end
#
#   86 ILE  HA           86 ILE  MG2         3.50    (#   1322:25  Unique         2.44, 3.08 A)
 &rst
  ixpk= 1322, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:1323    86 ILE  MG2         2.50    (#   1323:25  Single Ambig)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1322,1328,1329,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:1324    86 ILE  MG2         2.50    (#   1324:25  Single Ambig)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1331,1332,1333, 837, 838, 839, 841, 842, 843, 471,
       472, 473, 475, 476, 477,
 igr2=1324,1325,1326,
 &end
#
#   13 ALA  HN           13 ALA  MB          3.50    (#   1328:25  Unique         2.44, 3.22 A)
 &rst
  ixpk= 1328, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 197, 198, 199,
 &end
#
#   13 ALA  HA           13 ALA  MB          2.50    (#   1329:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 197, 198, 199,
 &end
#
#    0 AMB  25-2:1331    13 ALA  MB          2.50    (#   1331:25  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 204, 205, 204, 205,
 igr2= 197, 198, 199,
 &end
#
#   80 ALA  HN           80 ALA  MB          2.50    (#   1337:25  Unique         2.50, 2.89 A)
 &rst
  ixpk= 1337, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1236,1237,1238,
 &end
#
#   82 TYR  HN           80 ALA  MB          5.50    (#   1338:25  Unique         5.29, 5.68 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1236,1237,1238,
 &end
#
#   78 ASN  HD2-         80 ALA  MB          4.50    (#   1339:25  Unique         2.05, 3.98 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1213,1214,
 igr2=1236,1237,1238,
 &end
#
#   80 ALA  HA           80 ALA  MB          2.50    (#   1340:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1236,1237,1238,
 &end
#
#    0 AMB  25-2:1341    80 ALA  MB          5.50    (#   1341:25  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1219,1220,1278,1279,
 igr2=1236,1237,1238,
 &end
#
#   79 PRO  HG+          80 ALA  MB          4.50    (#   1342:25  Unique         4.05, 6.09 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1222,1223,
 igr2=1236,1237,1238,
 &end
#
#   57 ASN  HN           56 ILE  MG2         3.50    (#   1351:25  Unique         2.63, 3.31 A)
 &rst
  ixpk= 1351, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 882, 883, 884,
 &end
#
#   85 SER  HN           56 ILE  MG2         5.50    (#   1352:25  Unique         3.65, 4.79 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HN           56 ILE  MG2         4.50    (#   1353:25  Unique         4.33, 4.77 A)
 &rst
  ixpk= 1353, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HD2+         56 ILE  MG2         4.50    (#   1354:25  Unique         2.19, 4.08 A)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 904, 905,
 igr2= 882, 883, 884,
 &end
#
#   75 TYR  HD           56 ILE  MG2         3.50    (#   1355:25  Unique         2.50, 5.67 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1165,1174,
 igr2= 882, 883, 884,
 &end
#
#   75 TYR  HE           56 ILE  MG2         4.50    (#   1356:25  Unique         2.34, 5.13 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1167,1172,
 igr2= 882, 883, 884,
 &end
#
#   86 ILE  HA           56 ILE  MG2         4.50    (#   1357:25  Unique         3.59, 4.68 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HA           56 ILE  MG2         2.50    (#   1358:25  Unique         2.46, 3.12 A)
 &rst
  ixpk= 1358, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HB+          56 ILE  MG2         4.50    (#   1359:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HB-          56 ILE  MG2         3.50    (#   1360:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 899, 900,
 igr2= 882, 883, 884,
 &end
#
#   84 VAL  HB           56 ILE  MG2         3.50    (#   1361:25  Unique         2.37, 3.27 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HB           56 ILE  MG2         2.50    (#   1362:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HG1+         56 ILE  MG2         2.50    (#   1363:25  Unique         2.49, 3.53 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 886, 887,
 igr2= 882, 883, 884,
 &end
#
#   86 ILE  MG2          56 ILE  MG2         4.50    (#   1364:25  Unique         3.59, 5.87 A)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1324,1325,1326,
 igr2= 882, 883, 884,
 &end
#
#   57 ASN  HD2-         56 ILE  MG2         3.50    (#   1371:25  Unique         2.19, 4.08 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 904, 905,
 igr2= 882, 883, 884,
 &end
#
#   56 ILE  HN           56 ILE  MD1         4.50    (#   1400:25  Unique         4.45, 5.19 A)
 &rst
  ixpk= 1400, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 889, 890, 891,
 &end
#
#   75 TYR  HD           56 ILE  MD1         3.50    (#   1401:25  Unique         2.61, 5.61 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1165,1174,
 igr2= 889, 890, 891,
 &end
#
#    0 AMB  25-2:1402     0 AMB  25-1:1402   3.50    (#   1402:25  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 368, 373,1167,1172,
 igr2=1331,1332,1333, 889, 890, 891,
 &end
#
#   86 ILE  HA           86 ILE  MD1         4.50    (#   1403:25  Unique         2.49, 4.62 A)
 &rst
  ixpk= 1403, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1331,1332,1333,
 &end
#
#   56 ILE  HA           86 ILE  MD1         4.50    (#   1404:25  Unique         2.69, 5.51 A)
 &rst
  ixpk= 1404, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1331,1332,1333,
 &end
#
#    0 AMB  25-2:1405     0 AMB  25-1:1405   4.50    (#   1405:25  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1029,1180,1031,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   72 VAL  HA           56 ILE  MD1         3.50    (#   1406:25  Unique         3.40, 4.19 A)
 &rst
  ixpk= 1406, nxpk= 25, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 889, 890, 891,
 &end
#
#   22 PHE  HB-          86 ILE  MD1         4.50    (#   1407:25  Unique         2.62, 4.15 A)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 331, 332,
 igr2=1331,1332,1333,
 &end
#
#   76 LEU  HG           56 ILE  MD1         2.50    (#   1408:25  Unique         2.32, 3.36 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 889, 890, 891,
 &end
#
#   56 ILE  HB           56 ILE  MD1         2.50    (#   1409:25  Unique         2.40, 3.12 A)
 &rst
  ixpk= 1409, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 889, 890, 891,
 &end
#
#    0 AMB  25-2:1410     0 AMB  25-1:1410   2.50    (#   1410:25  Double Ambig)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 886, 887, 886, 887,
 igr2=1331,1332,1333, 889, 890, 891,
 &end
#
#   22 PHE  HE           86 ILE  MD1         4.50    (#   1412:25  Unique         3.13, 6.03 A)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 337, 341,
 igr2=1331,1332,1333,
 &end
#
#    0 AMB  25-2:1414     0 AMB  25-1:1414   2.50    (#   1414:25  Double Ambig)
 &rst
  ixpk= 1414, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1111,1328,1329,1322,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   86 ILE  MG2          86 ILE  MD1         2.50    (#   1415:25  Unique         2.22, 3.67 A)
 &rst
  ixpk= 1415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1324,1325,1326,
 igr2=1331,1332,1333,
 &end
#
#   21 THR  MG2          21 THR  HA          4.50    (#   1429:25  Unique         2.29, 2.94 A)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 320, 321,
 &end
#
#   22 PHE  HN           21 THR  HA          4.50    (#   1431:25  Unique         2.17, 2.26 A)
 &rst
  ixpk= 1431, nxpk= 25, iat= 327, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HN           65 TYR  HA          2.50    (#   1433:25  Unique         2.32, 2.39 A)
 &rst
  ixpk= 1433, nxpk= 25, iat=1027,1008, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   72 VAL  HN           65 TYR  HA          3.50    (#   1434:25  Unique         2.56, 2.72 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=1107,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HN           65 TYR  HA          3.50    (#   1435:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HD           65 TYR  HA          3.50    (#   1436:25  Unique         2.45, 3.57 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1014,1023,
 &end
#
#   71 GLU  HA           65 TYR  HA          3.50    (#   1437:25  Unique         2.26, 2.40 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=1094,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HB+          65 TYR  HA          3.50    (#   1438:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#    0 AMB  25-2:1439    65 TYR  HA          4.50    (#   1439:25  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   65 TYR  HB-          65 TYR  HA          3.50    (#   1440:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   84 VAL  MGX          85 SER  HA          7.00    (#   1441:25  Unique         3.95, 6.02 A)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   85 SER  HN           85 SER  HA          3.50    (#   1442:25  Unique         2.92, 2.97 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=1307,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 THR  HA           85 SER  HA          3.50    (#   1443:25  Unique         1.95, 2.06 A)
 &rst
  ixpk= 1443, nxpk= 25, iat= 315,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1444    85 SER  HA          3.50    (#   1444:25  Single Ambig)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   86 ILE  HN           85 SER  HA          2.50    (#   1445:25  Unique         2.22, 2.29 A)
 &rst
  ixpk= 1445, nxpk= 25, iat=1318,1309, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   54 LEU  HN           88 PHE  HA          3.50    (#   1447:25  Unique         2.38, 2.56 A)
 &rst
  ixpk= 1447, nxpk= 25, iat= 847,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 GLY  HN           88 PHE  HA          3.50    (#   1448:25  Unique         2.32, 2.43 A)
 &rst
  ixpk= 1448, nxpk= 25, iat=1381,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 PHE  HD           88 PHE  HA          4.50    (#   1449:25  Unique         2.69, 3.94 A)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1369,1377,
 &end
#
#   53 VAL  HA           88 PHE  HA          3.50    (#   1450:25  Unique         2.14, 2.43 A)
 &rst
  ixpk= 1450, nxpk= 25, iat= 833,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 PHE  HB+          88 PHE  HA          3.50    (#   1451:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1365,1366,
 &end
#
#   88 PHE  HB-          88 PHE  HA          3.50    (#   1452:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1365,1366,
 &end
#
#   54 LEU  MDY          88 PHE  HA          3.50    (#   1454:25  Unique         2.39, 4.85 A)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   40 ALA  MB           30 LEU  HA          4.50    (#   1459:25  Unique         2.52, 3.72 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 645, 646, 647,
 &end
#
#   31 LYS  HN           30 LEU  HA          2.50    (#   1460:25  Unique         2.28, 2.38 A)
 &rst
  ixpk= 1460, nxpk= 25, iat= 481, 464, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   30 LEU  HN           30 LEU  HA          3.50    (#   1461:25  Unique         2.92, 2.96 A)
 &rst
  ixpk= 1461, nxpk= 25, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  HA           30 LEU  HA          3.50    (#   1462:25  Unique         2.33, 2.54 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 627, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1463    30 LEU  HA          3.50    (#   1463:25  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 466, 467, 491, 492,
 &end
#
#   30 LEU  HB-          30 LEU  HA          4.50    (#   1464:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#    0 AMB  25-2:1465    30 LEU  HA          2.50    (#   1465:25  Single Ambig)
 &rst
  ixpk= 1465, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 &end
#
#   39 VAL  HN           38 LEU  HA          2.50    (#   1466:25  Unique         2.24, 2.29 A)
 &rst
  ixpk= 1466, nxpk= 25, iat= 625, 608, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   38 LEU  HB+          38 LEU  HA          4.50    (#   1467:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1467, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#    0 AMB  25-2:1468    38 LEU  HA          3.50    (#   1468:25  Single Ambig)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 610, 611, 825, 826, 827,
 &end
#
#   38 LEU  MDY          38 LEU  HA          2.50    (#   1469:25  Unique         2.19, 3.90 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 615, 616, 617, 619, 620, 621,
 &end
#
#   38 LEU  MDY          52 ALA  HA          3.50    (#   1471:25  Unique         2.14, 4.41 A)
 &rst
  ixpk= 1471, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 615, 616, 617, 619, 620, 621,
 &end
#
#   52 ALA  MB           52 ALA  HA          2.50    (#   1473:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 825, 826, 827,
 &end
#
#   79 PRO  HD+          78 ASN  HA          2.50    (#   1476:25  Unique         2.20, 2.40 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1219,1220,
 &end
#
#   78 ASN  HB+          78 ASN  HA          3.50    (#   1477:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1208,1209,
 &end
#
#   78 ASN  HB-          78 ASN  HA          3.50    (#   1478:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1478, nxpk= 25, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1208,1209,
 &end
#
#   78 ASN  HN           78 ASN  HA          3.50    (#   1479:25  Unique         2.74, 2.85 A)
 &rst
  ixpk= 1479, nxpk= 25, iat=1204,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1480    66 THR  HB          5.50    (#   1480:25  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070, 916,
 &end
#
#   59 MET  HB-          66 THR  HB          4.50    (#   1481:25  Unique         2.54, 3.75 A)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   22 PHE  HN           21 THR  HB          5.50    (#   1483:25  Unique         2.73, 3.14 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 327, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 SER  HA           21 THR  HB          5.50    (#   1485:25  Unique         4.17, 4.43 A)
 &rst
  ixpk= 1485, nxpk= 25, iat=1309, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 TYR  HD           72 VAL  HA          4.50    (#   1488:25  Unique         3.54, 4.70 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   73 LEU  HN           72 VAL  HA          5.50    (#   1489:25  Unique         3.56, 3.60 A)
 &rst
  ixpk= 1489, nxpk= 25, iat=1123,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  HN           72 VAL  HA          5.50    (#   1490:25  Unique         4.39, 4.53 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=1027,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1492    72 VAL  HA          7.00    (#   1492:25  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1167,1172,1251,1252,
 &end
#
#    0 AMB  25-2:1493    72 VAL  HA          5.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1092,1041,
 &end
#
#   74 GLU  HN           72 VAL  HA          5.50    (#   1494:25  Unique         4.16, 4.39 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=1142,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HA           72 VAL  HA          5.50    (#   1495:25  Unique         4.27, 4.53 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=1008,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1496    72 VAL  HA          4.50    (#   1496:25  Single Ambig)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1094,1029,1031,
 &end
#
#   75 TYR  HA           72 VAL  HA          5.50    (#   1497:25  Unique         4.87, 5.08 A)
 &rst
  ixpk= 1497, nxpk= 25, iat=1159,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1499    72 VAL  HA          4.50    (#   1499:25  Single Ambig)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1185,1099,1100,1096,1097,
 &end
#
#    0 AMB  25-2:1501    72 VAL  HA          5.50    (#   1501:25  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 880,1077,1078,
 &end
#
#   82 TYR  HD           23 SER  QB          4.50    (#   1503:25  Unique         2.55, 6.20 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1264,1273,
 igr2= 351, 352,
 &end
#
#   82 TYR  HE           23 SER  QB          7.00    (#   1504:25  Unique         3.21, 7.67 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1266,1271,
 igr2= 351, 352,
 &end
#
#   24 TYR  QB           23 SER  QB          4.50    (#   1505:25  Unique         4.43, 5.89 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 362, 363,
 igr2= 351, 352,
 &end
#
#   51 HIS  HN           49 VAL  HA          4.50    (#   1508:25  Unique         3.13, 3.38 A)
 &rst
  ixpk= 1508, nxpk= 25, iat= 804, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1510    79 PRO  HA          4.50    (#   1510:25  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1232,1251,1252,
 &end
#
#   81 ASN  HN           79 PRO  HA          5.50    (#   1511:25  Unique         3.16, 3.24 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=1242,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HA           79 PRO  HA          5.50    (#   1512:25  Unique         4.46, 4.49 A)
 &rst
  ixpk= 1512, nxpk= 25, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 TYR  HA           79 PRO  HA          5.50    (#   1513:25  Unique         3.54, 3.90 A)
 &rst
  ixpk= 1513, nxpk= 25, iat=1258,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1514    49 VAL  HA          4.50    (#   1514:25  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 643, 799, 800,
 &end
#
#   24 TYR  QB           79 PRO  HA          5.50    (#   1517:25  Unique         4.87, 5.86 A)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 362, 363,
 &end
#
#   96 ASN  HN           95 SER  QB          4.50    (#   1520:25  Unique         2.20, 3.69 A)
 &rst
  ixpk= 1520, nxpk= 25, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1487,1488,
 &end
#
#   55 ALA  HN           53 VAL  HA          4.50    (#   1521:25  Unique         3.87, 3.98 A)
 &rst
  ixpk= 1521, nxpk= 25, iat= 866, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 PHE  HD           53 VAL  HA          5.50    (#   1522:25  Unique         2.53, 4.53 A)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#   12 TYR  HD           11 SER  QB          5.50    (#   1524:25  Unique         2.49, 5.54 A)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 180, 189,
 igr2= 165, 166,
 &end
#
#   85 SER  HA           85 SER  HB+         3.50    (#   1525:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 1525, nxpk= 25, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1311,1312,
 &end
#
#   95 SER  HA           95 SER  QB          2.50    (#   1526:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1487,1488,
 &end
#
#    0 AMB  25-2:1528     0 AMB  25-1:1528   5.50    (#   1528:25  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 176, 177, 899, 900,
 igr2= 165, 166,1311,1312,
 &end
#
#   21 THR  MG2          85 SER  HB-         5.50    (#   1530:25  Unique         3.40, 4.88 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 319, 320, 321,
 igr2=1311,1312,
 &end
#
#   21 THR  MG2          85 SER  HB+         5.50    (#   1531:25  Unique         3.40, 4.88 A)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 319, 320, 321,
 igr2=1311,1312,
 &end
#
#   86 ILE  MG2          53 VAL  HA          4.50    (#   1534:25  Unique         3.57, 4.30 A)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   53 VAL  HB           53 VAL  HA          4.50    (#   1535:25  Unique         2.22, 2.90 A)
 &rst
  ixpk= 1535, nxpk= 25, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1537    53 VAL  HA          4.50    (#   1537:25  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 851, 852, 825, 826, 827,
 &end
#
#   39 VAL  HN           39 VAL  HA          5.50    (#   1538:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HN           39 VAL  HA          4.50    (#   1539:25  Unique         3.54, 3.78 A)
 &rst
  ixpk= 1539, nxpk= 25, iat= 651, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LYS  HN           39 VAL  HA          5.50    (#   1540:25  Unique         3.85, 4.12 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 481, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HA           39 VAL  HA          4.50    (#   1542:25  Unique         2.33, 2.54 A)
 &rst
  ixpk= 1542, nxpk= 25, iat= 464, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HB           39 VAL  HA          4.50    (#   1543:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1544    39 VAL  HA          4.50    (#   1544:25  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 466, 467, 610, 611, 491, 492,
 &end
#
#    0 AMB  25-2:1545    39 VAL  HA          4.50    (#   1545:25  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 645, 646, 647, 610, 611, 488, 489,
 &end
#
#   78 ASN  HD2+         75 TYR  HA          5.50    (#   1552:25  Unique         3.68, 5.21 A)
 &rst
  ixpk= 1552, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1213,1214,
 &end
#
#    0 AMB  25-2:1555    75 TYR  HA          4.50    (#   1555:25  Single Ambig)
 &rst
  ixpk= 1555, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1204,1213,1214,
 &end
#
#   76 LEU  HN           75 TYR  HA          4.50    (#   1556:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 1556, nxpk= 25, iat=1178,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 LEU  HA           75 TYR  HA          5.50    (#   1557:25  Unique         4.75, 4.77 A)
 &rst
  ixpk= 1557, nxpk= 25, iat=1180,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HB-          75 TYR  HA          4.50    (#   1558:25  Unique         3.17, 3.71 A)
 &rst
  ixpk= 1558, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#    0 AMB  25-2:1559    75 TYR  HA          5.50    (#   1559:25  Single Ambig)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,1246,1247,
 &end
#
#    0 AMB  25-2:1560    75 TYR  HA          5.50    (#   1560:25  Single Ambig)
 &rst
  ixpk= 1560, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1185,1096,1097,
 &end
#
#    0 AMB  25-2:1561    75 TYR  HA          5.50    (#   1561:25  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1080,1081,1182,1183,
 &end
#
#   25 PRO  HB+          25 PRO  HA          4.50    (#   1562:25  Unique         2.26, 2.52 A)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 386, 387,
 &end
#
#   24 TYR  HD           25 PRO  HA          4.50    (#   1564:25  Unique         2.57, 4.45 A)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 366, 375,
 &end
#
#    0 AMB  25-2:1565    25 PRO  HA          5.50    (#   1565:25  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 25, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271, 368, 373,
 &end
#
#    0 AMB  25-2:1567    66 THR  HA          5.50    (#   1567:25  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1051,1006,
 &end
#
#   61 VAL  HN           66 THR  HA          5.50    (#   1568:25  Unique         5.02, 5.21 A)
 &rst
  ixpk= 1568, nxpk= 25, iat= 945,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL  HB           66 THR  HA          4.50    (#   1570:25  Unique         2.90, 3.36 A)
 &rst
  ixpk= 1570, nxpk= 25, iat= 949,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HN           61 VAL  HA          4.50    (#   1572:25  Unique         3.25, 3.42 A)
 &rst
  ixpk= 1572, nxpk= 25, iat=1041, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLY  HN           61 VAL  HA          5.50    (#   1573:25  Unique         4.39, 4.74 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 975, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1574    61 VAL  HA          5.50    (#   1574:25  Single Ambig)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1006,1051,
 &end
#
#   56 ILE  HN           61 VAL  HA          5.50    (#   1575:25  Unique         5.08, 5.25 A)
 &rst
  ixpk= 1575, nxpk= 25, iat= 876, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 ASN  HB+          61 VAL  HA          5.50    (#   1577:25  Unique         4.16, 4.47 A)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 966,
 &end
#
#    0 AMB  25-2:1578    61 VAL  HA          5.50    (#   1578:25  Single Ambig)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 965, 966, 937, 938,
 &end
#
#   60 ASP  HA           61 VAL  HA          4.50    (#   1579:25  Unique         4.36, 4.41 A)
 &rst
  ixpk= 1579, nxpk= 25, iat= 935, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  MB           61 VAL  HA          4.50    (#   1580:25  Unique         4.18, 5.27 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045,1046,1047,
 &end
#
#   57 ASN  HB+          56 ILE  HA          5.50    (#   1587:25  Unique         4.58, 5.35 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#   86 ILE  MG2          56 ILE  HA          5.50    (#   1588:25  Unique         3.21, 4.43 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#   76 LEU  HN           73 LEU  HA          5.50    (#   1592:25  Unique         3.40, 3.66 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=1178,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 GLU  HN           73 LEU  HA          5.50    (#   1593:25  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1593, nxpk= 25, iat=1142,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  HN           71 GLU  HA          5.50    (#   1594:25  Unique         3.83, 3.99 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=1027,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LEU  HN           71 GLU  HA          4.50    (#   1595:25  Unique         4.13, 4.25 A)
 &rst
  ixpk= 1595, nxpk= 25, iat=1123,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1597     0 AMB  25-1:1597   4.50    (#   1597:25  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1016,1021, 182, 187,
 igr2=1094, 163,
 &end
#
#   64 ARG  QD           35 GLU  HA          5.50    (#   1599:25  Unique         2.35, 3.80 A)
 &rst
  ixpk= 1599, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 992, 993,
 &end
#
#   64 ARG  HB+          35 GLU  HA          5.50    (#   1600:25  Unique         2.68, 4.67 A)
 &rst
  ixpk= 1600, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 986, 987,
 &end
#
#   32 LEU  HB-          35 GLU  HA          5.50    (#   1601:25  Unique         5.55, 6.16 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 507, 508,
 &end
#
#   64 ARG  HB-          35 GLU  HA          5.50    (#   1602:25  Unique         2.68, 4.67 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 986, 987,
 &end
#
#   81 ASN  HN           82 TYR  HA          5.50    (#   1605:25  Unique         4.23, 4.38 A)
 &rst
  ixpk= 1605, nxpk= 25, iat=1242,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 TYR  HE           82 TYR  HA          5.50    (#   1606:25  Unique         2.21, 5.11 A)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 373,
 &end
#
#   65 TYR  HE           65 TYR  HA          5.50    (#   1607:25  Unique         4.75, 5.41 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1016,1021,
 &end
#
#   84 VAL  MGX          82 TYR  HA          4.50    (#   1608:25  Unique         3.40, 5.14 A)
 &rst
  ixpk= 1608, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   72 VAL  HB           65 TYR  HA          5.50    (#   1611:25  Unique         4.11, 4.50 A)
 &rst
  ixpk= 1611, nxpk= 25, iat=1111,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1612    65 TYR  HA          5.50    (#   1612:25  Single Ambig)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,1096,1097,
 &end
#
#   71 GLU  HG+          65 TYR  HA          5.50    (#   1613:25  Unique         3.86, 4.72 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#   81 ASN  HB+          82 TYR  HA          5.50    (#   1614:25  Unique         4.51, 5.32 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1246,1247,
 &end
#
#    0 AMB  25-2:1615    85 SER  HA          4.50    (#   1615:25  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 &end
#
#   21 THR  MG2          85 SER  HA          4.50    (#   1616:25  Unique         2.63, 3.78 A)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 320, 321,
 &end
#
#    0 AMB  25-2:1617    85 SER  HA          4.50    (#   1617:25  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1328,1329,1322,
 &end
#
#   22 PHE  HE           85 SER  HA          7.00    (#   1618:25  Unique         4.63, 6.71 A)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 337, 341,
 &end
#
#   22 PHE  HD           85 SER  HA          7.00    (#   1619:25  Unique         3.27, 5.63 A)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 335, 343,
 &end
#
#   22 PHE  HN           85 SER  HA          3.50    (#   1620:25  Unique         3.23, 3.38 A)
 &rst
  ixpk= 1620, nxpk= 25, iat= 327,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 ILE  MG2          85 SER  HA          5.50    (#   1621:25  Unique         6.21, 6.62 A)
 &rst
  ixpk= 1621, nxpk= 25, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#    0 AMB  25-2:1622    35 GLU  HA          7.00    (#   1622:25  Single Ambig)
 &rst
  ixpk= 1622, nxpk= 25, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 541, 984,
 &end
#
#    0 AMB  25-2:1624    88 PHE  HA          5.50    (#   1624:25  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 849, 806,
 &end
#
#   89 GLY  QA           88 PHE  HA          5.50    (#   1625:25  Unique         4.12, 4.47 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1383,1384,
 &end
#
#   55 ALA  HN           88 PHE  HA          5.50    (#   1627:25  Unique         3.98, 4.10 A)
 &rst
  ixpk= 1627, nxpk= 25, iat= 866,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 ILE  MG2          88 PHE  HA          5.50    (#   1630:25  Unique         3.93, 5.20 A)
 &rst
  ixpk= 1630, nxpk= 25, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#   24 TYR  QB           24 TYR  HA          3.50    (#   1631:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 1631, nxpk= 25, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 362, 363,
 &end
#
#   25 PRO  HB+          24 TYR  HA          5.50    (#   1634:25  Unique         4.38, 4.74 A)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   24 TYR  HD           24 TYR  HA          3.50    (#   1636:25  Unique         2.49, 3.53 A)
 &rst
  ixpk= 1636, nxpk= 25, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 366, 375,
 &end
#
#   24 TYR  HN           24 TYR  HA          4.50    (#   1640:25  Unique         2.90, 2.95 A)
 &rst
  ixpk= 1640, nxpk= 25, iat= 358, 360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1641    67 ALA  HA          5.50    (#   1641:25  Single Ambig)
 &rst
  ixpk= 1641, nxpk= 25, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 945,
 &end
#
#   62 ASN  HD2-         67 ALA  HA          5.50    (#   1642:25  Unique         5.20, 6.40 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 970, 971,
 &end
#
#   78 ASN  HN           76 LEU  HA          5.50    (#   1643:25  Unique         3.63, 4.18 A)
 &rst
  ixpk= 1643, nxpk= 25, iat=1204,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HN           30 LEU  HA          5.50    (#   1644:25  Unique         3.79, 4.00 A)
 &rst
  ixpk= 1644, nxpk= 25, iat= 651, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HN           30 LEU  HA          4.50    (#   1645:25  Unique         1.88, 2.12 A)
 &rst
  ixpk= 1645, nxpk= 25, iat= 641, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1646    30 LEU  HA          4.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 483,
 &end
#
#   90 ARG  QG           16 ALA  HA          7.00    (#   1648:25  Unique         2.47, 4.92 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1395,1396,
 &end
#
#   17 GLU  HB+          16 ALA  HA          7.00    (#   1649:25  Unique         4.18, 5.51 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 255, 256,
 &end
#
#   90 ARG  QD           16 ALA  HA          5.50    (#   1651:25  Unique         2.37, 5.24 A)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1398,1399,
 &end
#
#    0 AMB  25-2:1654    16 ALA  HA          5.50    (#   1654:25  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1381,
 &end
#
#   62 ASN  HN           62 ASN  HA          4.50    (#   1657:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 1657, nxpk= 25, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLY  HN           62 ASN  HA          2.50    (#   1658:25  Unique         2.17, 2.40 A)
 &rst
  ixpk= 1658, nxpk= 25, iat= 975, 963, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:1659    62 ASN  HA          5.50    (#   1659:25  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 977, 978, 947,
 &end
#
#   63 GLY  HA-          62 ASN  HA          5.50    (#   1660:25  Unique         4.25, 4.41 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 977, 978,
 &end
#
#   62 ASN  HB+          62 ASN  HA          3.50    (#   1661:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1661, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 966,
 &end
#
#   62 ASN  HB-          62 ASN  HA          3.50    (#   1662:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 966,
 &end
#
#    0 AMB  25-2:1663    62 ASN  HA          7.00    (#   1663:25  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   80 ALA  HN           79 PRO  HD-         4.50    (#   1665:25  Unique         2.86, 3.52 A)
 &rst
  ixpk= 1665, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1219,1220,
 &end
#
#   82 TYR  HE           79 PRO  HD+         5.50    (#   1669:25  Unique         3.61, 5.90 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2=1219,1220,
 &end
#
#    0 AMB  25-2:1670     0 AMB  25-1:1670   5.50    (#   1670:25  Double Ambig)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1204,1213,1214,
 igr2=1219,1220,1219,1220,
 &end
#
#   78 ASN  HB-          79 PRO  HD+         5.50    (#   1673:25  Unique         4.20, 4.79 A)
 &rst
  ixpk= 1673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1208,1209,
 igr2=1219,1220,
 &end
#
#   78 ASN  HB-          79 PRO  HD-         5.50    (#   1674:25  Unique         4.20, 4.79 A)
 &rst
  ixpk= 1674, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1208,1209,
 igr2=1219,1220,
 &end
#
#   78 ASN  HB+          79 PRO  HD+         5.50    (#   1676:25  Unique         4.20, 4.79 A)
 &rst
  ixpk= 1676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1208,1209,
 igr2=1219,1220,
 &end
#
#   79 PRO  HB-          79 PRO  HD-         4.50    (#   1677:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1225,1226,
 igr2=1219,1220,
 &end
#
#   79 PRO  HB-          79 PRO  HD+         4.50    (#   1678:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1225,1226,
 igr2=1219,1220,
 &end
#
#   13 ALA  HN           14 PRO  HD+         5.50    (#   1682:25  Unique         1.61, 4.10 A)
 &rst
  ixpk= 1682, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   13 ALA  HN           14 PRO  HD-         5.50    (#   1683:25  Unique         1.61, 4.10 A)
 &rst
  ixpk= 1683, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   15 ARG  HN           14 PRO  HD+         5.50    (#   1684:25  Unique         2.74, 4.81 A)
 &rst
  ixpk= 1684, nxpk= 25, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   15 ARG  HN           14 PRO  HD-         5.50    (#   1685:25  Unique         2.74, 4.81 A)
 &rst
  ixpk= 1685, nxpk= 25, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   12 TYR  HD           14 PRO  HD+         5.50    (#   1686:25  Unique         2.12, 6.10 A)
 &rst
  ixpk= 1686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 180, 189,
 igr2= 204, 205,
 &end
#
#   12 TYR  HD           14 PRO  HD-         5.50    (#   1687:25  Unique         2.12, 6.10 A)
 &rst
  ixpk= 1687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 180, 189,
 igr2= 204, 205,
 &end
#
#   12 TYR  HE           14 PRO  HD+         5.50    (#   1688:25  Unique         3.16, 6.62 A)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 187,
 igr2= 204, 205,
 &end
#
#   12 TYR  HE           14 PRO  HD-         5.50    (#   1689:25  Unique         3.16, 6.62 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 187,
 igr2= 204, 205,
 &end
#
#   39 VAL  HN           52 ALA  HA          4.50    (#   1690:25  Unique         3.16, 3.61 A)
 &rst
  ixpk= 1690, nxpk= 25, iat= 625, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ALA  HN           52 ALA  HA          4.50    (#   1691:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 1691, nxpk= 25, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1694    52 ALA  HA          4.50    (#   1694:25  Single Ambig)
 &rst
  ixpk= 1694, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1416,1417,1419,1420, 835, 594,
 &end
#
#   82 TYR  HE           25 PRO  HD+         5.50    (#   1697:25  Unique         2.62, 5.56 A)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 380, 381,
 &end
#
#   82 TYR  HE           25 PRO  HD-         5.50    (#   1698:25  Unique         2.62, 5.56 A)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 380, 381,
 &end
#
#   24 TYR  HD           25 PRO  HD-         5.50    (#   1699:25  Unique         5.80, 6.84 A)
 &rst
  ixpk= 1699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2= 380, 381,
 &end
#
#   24 TYR  HD           25 PRO  HD+         5.50    (#   1700:25  Unique         5.80, 6.84 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2= 380, 381,
 &end
#
#   24 TYR  HA           25 PRO  HD-         5.50    (#   1701:25  Unique         4.43, 4.61 A)
 &rst
  ixpk= 1701, nxpk= 25, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 380, 381,
 &end
#
#   24 TYR  HA           25 PRO  HD+         5.50    (#   1702:25  Unique         4.43, 4.61 A)
 &rst
  ixpk= 1702, nxpk= 25, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 380, 381,
 &end
#
#   25 PRO  HB+          25 PRO  HD-         4.50    (#   1703:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 386, 387,
 igr2= 380, 381,
 &end
#
#   25 PRO  HB+          25 PRO  HD+         4.50    (#   1704:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 386, 387,
 igr2= 380, 381,
 &end
#
#   65 TYR  HN           63 GLY  HA+         5.50    (#   1711:25  Unique         3.67, 4.39 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   65 TYR  HN           63 GLY  HA-         5.50    (#   1712:25  Unique         3.67, 4.39 A)
 &rst
  ixpk= 1712, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   64 ARG  HN           63 GLY  HA-         3.50    (#   1713:25  Unique         2.20, 2.98 A)
 &rst
  ixpk= 1713, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   63 GLY  HN           63 GLY  HA+         3.50    (#   1714:25  Unique         2.24, 2.55 A)
 &rst
  ixpk= 1714, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 977, 978,
 &end
#
#   62 ASN  HA           63 GLY  HA-         5.50    (#   1715:25  Unique         4.25, 4.41 A)
 &rst
  ixpk= 1715, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   62 ASN  HA           63 GLY  HA+         5.50    (#   1716:25  Unique         4.25, 4.41 A)
 &rst
  ixpk= 1716, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 977, 978,
 &end
#
#   36 ARG  HD-          63 GLY  HA+         5.50    (#   1717:25  Unique         2.10, 3.71 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 576, 577,
 igr2= 977, 978,
 &end
#
#   36 ARG  HD-          63 GLY  HA-         5.50    (#   1719:25  Unique         2.10, 3.71 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 576, 577,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1722    63 GLY  HA-         7.00    (#   1722:25  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 555, 556, 558, 559,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1723    63 GLY  HA-         7.00    (#   1723:25  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 555, 556, 558, 559,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1724     0 AMB  25-1:1724   7.00    (#   1724:25  Double Ambig)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 555, 556, 558, 559,
 igr2= 977, 978, 977, 978,
 &end
#
#   36 ARG  HB-          63 GLY  HA+         5.50    (#   1725:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 570, 571,
 igr2= 977, 978,
 &end
#
#   36 ARG  HB-          63 GLY  HA-         5.50    (#   1726:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 1726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 570, 571,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1727    63 GLY  HA-         5.50    (#   1727:25  Single Ambig)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 989, 990, 825, 826, 827,
 igr2= 977, 978,
 &end
#
#    0 AMB  25-2:1728     0 AMB  25-1:1728   5.50    (#   1728:25  Double Ambig)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 989, 990, 986, 987, 825, 826, 827,
 igr2= 977, 978, 977, 978, 977, 978,
 &end
#
#    0 AMB  25-2:1729     0 AMB  25-1:1729   7.00    (#   1729:25  Double Ambig)
 &rst
  ixpk= 1729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 977, 978, 977, 978,
 &end
#
#    0 AMB  25-2:1730    63 GLY  HA-         5.50    (#   1730:25  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 977, 978,
 &end
#
#   65 TYR  HD           69 GLY  HA-         5.50    (#   1731:25  Unique         3.86, 5.49 A)
 &rst
  ixpk= 1731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1065,1066,
 &end
#
#   65 TYR  HD           69 GLY  HA+         5.50    (#   1732:25  Unique         3.86, 5.49 A)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1065,1066,
 &end
#
#   70 LYS  HN           69 GLY  HA+         3.50    (#   1733:25  Unique         3.21, 3.36 A)
 &rst
  ixpk= 1733, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1065,1066,
 &end
#
#   66 THR  HN           69 GLY  HA+         5.50    (#   1734:25  Unique         3.55, 4.28 A)
 &rst
  ixpk= 1734, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#   66 THR  HN           69 GLY  HA-         5.50    (#   1735:25  Unique         3.55, 4.28 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#    0 AMB  25-2:1736     0 AMB  25-1:1736   5.50    (#   1736:25  Double Ambig)
 &rst
  ixpk= 1736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1072,1053,
 igr2=1065,1066,1065,1066,
 &end
#
#    0 AMB  25-2:1737    69 GLY  HA-         5.50    (#   1737:25  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1072,1053,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB+          69 GLY  HA-         4.50    (#   1738:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB-          69 GLY  HA-         4.50    (#   1739:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB-          69 GLY  HA+         4.50    (#   1740:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   65 TYR  HB+          69 GLY  HA+         4.50    (#   1741:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 1741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,
 igr2=1065,1066,
 &end
#
#   31 LYS  HN           38 LEU  HB+         5.50    (#   1742:25  Unique         3.63, 4.42 A)
 &rst
  ixpk= 1742, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   38 LEU  HA           38 LEU  HB+         3.50    (#   1743:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1743, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#   38 LEU  HA           38 LEU  HB-         3.50    (#   1744:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1744, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#   50 GLY  HA+          38 LEU  HB-         4.50    (#   1745:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 1745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 799, 800,
 igr2= 610, 611,
 &end
#
#   37 VAL  HA           38 LEU  HB+         5.50    (#   1746:25  Unique         4.04, 4.95 A)
 &rst
  ixpk= 1746, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   55 ALA  MB           58 GLY  HA+         4.50    (#   1747:25  Unique         3.16, 4.95 A)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 870, 871, 872,
 igr2= 911, 912,
 &end
#
#    0 AMB  25-2:1749    89 GLY  QA          4.50    (#   1749:25  Single Ambig)
 &rst
  ixpk= 1749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1395,1396,1392,1393,
 igr2=1383,1384,
 &end
#
#   17 GLU  HB+          89 GLY  QA          5.50    (#   1751:25  Unique         2.30, 4.92 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 255, 256,
 igr2=1383,1384,
 &end
#
#   17 GLU  QG           89 GLY  QA          5.50    (#   1752:25  Unique         2.18, 3.92 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 258, 259,
 igr2=1383,1384,
 &end
#
#   57 ASN  HN           58 GLY  HA+         5.50    (#   1754:25  Unique         5.17, 5.41 A)
 &rst
  ixpk= 1754, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 911, 912,
 &end
#
#   51 HIS  HN           50 GLY  HA-         4.50    (#   1755:25  Unique         3.15, 3.36 A)
 &rst
  ixpk= 1755, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-2:1756     0 AMB  25-1:1756   5.50    (#   1756:25  Double Ambig)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 876, 804,
 igr2= 911, 912,1383,1384,
 &end
#
#   78 ASN  HN           77 GLY  HA+         4.50    (#   1757:25  Unique         2.87, 3.27 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:1758     0 AMB  25-1:1758   5.50    (#   1758:25  Double Ambig)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 368, 373,1266,1271,
 igr2=1199,1200,1199,1200,
 &end
#
#   55 ALA  MB           58 GLY  HA-         4.50    (#   1759:25  Unique         3.16, 4.95 A)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 870, 871, 872,
 igr2= 911, 912,
 &end
#
#    0 AMB  25-2:1760    77 GLY  HA-         5.50    (#   1760:25  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 368, 373,1266,1271,
 igr2=1199,1200,
 &end
#
#    3 HIS  HN            2 GLY  HA-         5.50    (#   1761:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  23,  24,
 &end
#
#   38 LEU  HB+          50 GLY  HA-         5.50    (#   1764:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 1764, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611,
 igr2= 799, 800,
 &end
#
#   39 VAL  HB           50 GLY  HA-         5.50    (#   1765:25  Unique         4.12, 4.74 A)
 &rst
  ixpk= 1765, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 799, 800,
 &end
#
#   64 ARG  HN           64 ARG  QD          5.50    (#   1771:25  Unique         2.23, 4.27 A)
 &rst
  ixpk= 1771, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 992, 993,
 &end
#
#   88 PHE  HA           88 PHE  HB-         5.50    (#   1774:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   88 PHE  HA           88 PHE  HB+         4.50    (#   1775:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1775, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1365,1366,
 &end
#
#   64 ARG  HA           64 ARG  QD          4.50    (#   1776:25  Unique         4.08, 4.72 A)
 &rst
  ixpk= 1776, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 992, 993,
 &end
#
#   35 GLU  HA           64 ARG  QD          4.50    (#   1777:25  Unique         2.35, 3.80 A)
 &rst
  ixpk= 1777, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 992, 993,
 &end
#
#   31 LYS  HN           30 LEU  HB-         4.50    (#   1780:25  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1780, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 LEU  HN           30 LEU  HB-         4.50    (#   1781:25  Unique         2.55, 3.20 A)
 &rst
  ixpk= 1781, nxpk= 25, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 LEU  HA           30 LEU  HB-         4.50    (#   1782:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1782, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 LEU  HA           30 LEU  HB+         4.50    (#   1783:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   31 LYS  HN           30 LEU  HB+         4.50    (#   1784:25  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1784, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   41 PHE  HN           29 LEU  HB+         4.50    (#   1785:25  Unique         2.17, 3.36 A)
 &rst
  ixpk= 1785, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 447, 448,
 &end
#
#   41 PHE  HD           29 LEU  HB-         5.50    (#   1787:25  Unique         2.34, 5.23 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 659, 667,
 igr2= 447, 448,
 &end
#
#   41 PHE  HD           29 LEU  HB+         5.50    (#   1788:25  Unique         2.34, 5.23 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 659, 667,
 igr2= 447, 448,
 &end
#
#   33 HIS  HN           32 LEU  HB-         4.50    (#   1789:25  Unique         4.03, 4.35 A)
 &rst
  ixpk= 1789, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 507, 508,
 &end
#
#   23 SER  HN           22 PHE  HB-         5.50    (#   1790:25  Unique         2.26, 3.04 A)
 &rst
  ixpk= 1790, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   22 PHE  HN           22 PHE  HB-         4.50    (#   1791:25  Unique         2.51, 3.28 A)
 &rst
  ixpk= 1791, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 331, 332,
 &end
#
#   22 PHE  HN           22 PHE  HB+         5.50    (#   1792:25  Unique         2.51, 3.28 A)
 &rst
  ixpk= 1792, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   23 SER  HN           22 PHE  HB+         5.50    (#   1793:25  Unique         2.26, 3.04 A)
 &rst
  ixpk= 1793, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   22 PHE  HD           22 PHE  HB+         5.50    (#   1794:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#   22 PHE  HE           22 PHE  HB+         5.50    (#   1795:25  Unique         4.61, 5.09 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 337, 341,
 igr2= 331, 332,
 &end
#
#   33 HIS  HN           32 LEU  HB+         4.50    (#   1799:25  Unique         4.03, 4.35 A)
 &rst
  ixpk= 1799, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 507, 508,
 &end
#
#   41 PHE  HB+          29 LEU  HB+         5.50    (#   1800:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 447, 448,
 &end
#
#   38 LEU  HN           32 LEU  HB+         7.00    (#   1801:25  Unique         5.07, 5.96 A)
 &rst
  ixpk= 1801, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 507, 508,
 &end
#
#    0 AMB  25-2:1802     0 AMB  25-1:1802   5.50    (#   1802:25  Double Ambig)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 961,1107,
 igr2=1010,1011,1010,1011,
 &end
#
#   64 ARG  HN           65 TYR  HB+         7.00    (#   1803:25  Unique         3.89, 4.89 A)
 &rst
  ixpk= 1803, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1010,1011,
 &end
#
#    0 AMB  25-2:1804    65 TYR  HB-         5.50    (#   1804:25  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 961,1107,
 igr2=1010,1011,
 &end
#
#   41 PHE  HD           41 PHE  HB+         3.50    (#   1806:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 659, 667,
 igr2= 655, 656,
 &end
#
#   77 GLY  HN           76 LEU  HB-         5.50    (#   1812:25  Unique         2.70, 3.29 A)
 &rst
  ixpk= 1812, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1182,1183,
 &end
#
#   77 GLY  HN           76 LEU  HB+         5.50    (#   1813:25  Unique         2.70, 3.29 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1182,1183,
 &end
#
#   75 TYR  HD           76 LEU  HB+         5.50    (#   1815:25  Unique         4.56, 6.70 A)
 &rst
  ixpk= 1815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2=1182,1183,
 &end
#
#   24 TYR  HE           76 LEU  HB-         5.50    (#   1816:25  Unique         2.37, 4.77 A)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 368, 373,
 igr2=1182,1183,
 &end
#
#   76 LEU  HA           76 LEU  HB+         4.50    (#   1817:25  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1817, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1182,1183,
 &end
#
#   86 ILE  MG2          86 ILE  HB          4.50    (#   1819:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   57 ASN  HN           56 ILE  HB          5.50    (#   1820:25  Unique         3.97, 4.09 A)
 &rst
  ixpk= 1820, nxpk= 25, iat= 895, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1821    56 ILE  HB          5.50    (#   1821:25  Single Ambig)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 916,1251,1252,
 &end
#
#   22 PHE  HE           86 ILE  HB          5.50    (#   1823:25  Unique         2.32, 4.36 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 337, 341,
 &end
#
#   88 PHE  HD           86 ILE  HB          5.50    (#   1824:25  Unique         2.71, 5.27 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#   74 GLU  HN           73 LEU  HB+         5.50    (#   1825:25  Unique         2.56, 3.26 A)
 &rst
  ixpk= 1825, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1127,1128,
 &end
#
#   74 GLU  HN           73 LEU  HB-         5.50    (#   1826:25  Unique         2.56, 3.26 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1127,1128,
 &end
#
#   55 ALA  MB           60 ASP  HB+         5.50    (#   1828:25  Unique         3.45, 5.09 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 870, 871, 872,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-2:1829     0 AMB  25-1:1829   4.50    (#   1829:25  Double Ambig)
 &rst
  ixpk= 1829, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 937, 938, 937, 938,
 &end
#
#    0 AMB  25-2:1835    62 ASN  HB-         5.50    (#   1835:25  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 965, 966,
 &end
#
#    0 AMB  25-2:1836     0 AMB  25-1:1836   5.50    (#   1836:25  Double Ambig)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957, 510,
 igr2= 965, 966, 965, 966, 543, 544,
 &end
#
#    0 AMB  25-2:1837     0 AMB  25-1:1837   4.50    (#   1837:25  Double Ambig)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 igr2=1161,1162,1161,1162,
 &end
#
#   75 TYR  HA           78 ASN  HB+         4.50    (#   1840:25  Unique         3.17, 3.71 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1208,1209,
 &end
#
#    0 AMB  25-2:1841    24 TYR  QB          4.50    (#   1841:25  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1266,1271, 368, 373,
 igr2= 362, 363,
 &end
#
#   82 TYR  HD           24 TYR  QB          5.50    (#   1842:25  Unique         3.27, 4.31 A)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2= 362, 363,
 &end
#
#   34 ASP  HN           34 ASP  HB-         4.50    (#   1845:25  Unique         2.85, 3.21 A)
 &rst
  ixpk= 1845, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 543, 544,
 &end
#
#    0 AMB  25-2:1846    62 ASN  HB-         5.50    (#   1846:25  Single Ambig)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 947,1065,1066,
 igr2= 965, 966,
 &end
#
#   24 TYR  HA           24 TYR  QB          4.50    (#   1847:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 1847, nxpk= 25, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 362, 363,
 &end
#
#   36 ARG  HB-          34 ASP  HB-         5.50    (#   1850:25  Unique         3.09, 5.62 A)
 &rst
  ixpk= 1850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 570, 571,
 igr2= 543, 544,
 &end
#
#    0 AMB  25-2:1852    75 TYR  HB-         5.50    (#   1852:25  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1251,1252,1167,1172,
 igr2=1161,1162,
 &end
#
#   13 ALA  MB           12 TYR  HB+         5.50    (#   1853:25  Unique         4.30, 6.22 A)
 &rst
  ixpk= 1853, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 197, 198, 199,
 igr2= 176, 177,
 &end
#
#   13 ALA  MB           12 TYR  HB-         5.50    (#   1854:25  Unique         4.30, 6.22 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 197, 198, 199,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:1856    75 TYR  HB-         4.50    (#   1856:25  Single Ambig)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1080,1081,1182,1183,
 igr2=1161,1162,
 &end
#
#   82 TYR  HD           81 ASN  HB+         5.50    (#   1857:25  Unique         4.61, 7.31 A)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2=1246,1247,
 &end
#
#   82 TYR  HD           81 ASN  HB-         7.00    (#   1858:25  Unique         4.61, 7.31 A)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1264,1273,
 igr2=1246,1247,
 &end
#
#   78 ASN  HB+          81 ASN  HB-         7.00    (#   1861:25  Unique         2.35, 4.62 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1208,1209,
 igr2=1246,1247,
 &end
#
#   65 TYR  HD           71 GLU  HG-         4.50    (#   1862:25  Unique         2.62, 5.61 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1014,1023,
 igr2=1099,1100,
 &end
#
#   65 TYR  HD           71 GLU  HG+         4.50    (#   1863:25  Unique         2.62, 5.61 A)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1014,1023,
 igr2=1099,1100,
 &end
#
#   64 ARG  HE           71 GLU  HG-         5.50    (#   1864:25  Unique         2.80, 5.18 A)
 &rst
  ixpk= 1864, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   72 VAL  HN           71 GLU  HG-         4.50    (#   1865:25  Unique         2.74, 3.34 A)
 &rst
  ixpk= 1865, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   72 VAL  HN           71 GLU  HG+         5.50    (#   1866:25  Unique         2.74, 3.34 A)
 &rst
  ixpk= 1866, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   73 LEU  HN           71 GLU  HG+         5.50    (#   1867:25  Unique         2.11, 3.38 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   65 TYR  HA           71 GLU  HG-         5.50    (#   1870:25  Unique         3.86, 4.72 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  25-2:1872    71 GLU  HG-         5.50    (#   1872:25  Single Ambig)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
       517, 518,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 igr2=1099,1100,
 &end
#
#    0 AMB  25-2:1873     0 AMB  25-1:1873   5.50    (#   1873:25  Double Ambig)
 &rst
  ixpk= 1873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.21, r4=13.71,
 igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
       517, 518,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 igr2=1099,1100,1099,1100,1099,1100,1099,1100,
 &end
#
#   64 ARG  HG+          71 GLU  HG-         5.50    (#   1875:25  Unique         2.57, 5.26 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1099,1100,
 &end
#
#   64 ARG  QD           71 GLU  HG-         5.50    (#   1876:25  Unique         2.48, 5.85 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2=1099,1100,
 &end
#
#   64 ARG  QD           71 GLU  HG+         5.50    (#   1877:25  Unique         2.48, 5.85 A)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2=1099,1100,
 &end
#
#    0 AMB  25-2:1878     0 AMB  25-1:1878   5.50    (#   1878:25  Double Ambig)
 &rst
  ixpk= 1878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 984,1144,
 igr2=1099,1100,1099,1100,
 &end
#
#   38 LEU  HN           31 LYS  QB          5.50    (#   1880:25  Unique         5.19, 5.45 A)
 &rst
  ixpk= 1880, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   22 PHE  HE           20 LYS  HB-         7.00    (#   1882:25  Unique         2.32, 4.56 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 337, 341,
 igr2= 295, 296,
 &end
#
#   32 LEU  HA           31 LYS  QB          5.50    (#   1883:25  Unique         4.76, 5.47 A)
 &rst
  ixpk= 1883, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   30 LEU  HA           31 LYS  QB          4.50    (#   1884:25  Unique         4.25, 5.15 A)
 &rst
  ixpk= 1884, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   57 ASN  HD2+         57 ASN  HB+         4.50    (#   1885:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   57 ASN  HD2+         57 ASN  HB-         4.50    (#   1886:25  Unique         2.20, 3.25 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 904, 905,
 igr2= 899, 900,
 &end
#
#   58 GLY  HN           57 ASN  HB+         5.50    (#   1887:25  Unique         4.21, 4.49 A)
 &rst
  ixpk= 1887, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   58 GLY  HN           57 ASN  HB-         5.50    (#   1888:25  Unique         4.21, 4.49 A)
 &rst
  ixpk= 1888, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   57 ASN  HN           57 ASN  HB+         5.50    (#   1889:25  Unique         2.75, 3.57 A)
 &rst
  ixpk= 1889, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   57 ASN  HN           57 ASN  HB-         5.50    (#   1890:25  Unique         2.75, 3.57 A)
 &rst
  ixpk= 1890, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   56 ILE  MG2          57 ASN  HB-         4.50    (#   1891:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 882, 883, 884,
 igr2= 899, 900,
 &end
#
#   56 ILE  MG2          57 ASN  HB+         5.50    (#   1892:25  Unique         2.88, 4.80 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 882, 883, 884,
 igr2= 899, 900,
 &end
#
#    0 AMB  25-2:1893    17 GLU  QG          5.50    (#   1893:25  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1388,1381,
 igr2= 258, 259,
 &end
#
#   74 GLU  HN           74 GLU  HG+         4.50    (#   1906:25  Unique         2.41, 4.05 A)
 &rst
  ixpk= 1906, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#   74 GLU  HN           74 GLU  HG-         4.50    (#   1907:25  Unique         2.41, 4.05 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#   77 GLY  HN           74 GLU  HG+         7.00    (#   1908:25  Unique         5.26, 5.70 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1149,1150,
 &end
#
#   77 GLY  HN           74 GLU  HG-         5.50    (#   1909:25  Unique         5.26, 5.70 A)
 &rst
  ixpk= 1909, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   75 TYR  HN           74 GLU  HG+         5.50    (#   1910:25  Unique         3.85, 4.45 A)
 &rst
  ixpk= 1910, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   75 TYR  HN           74 GLU  HG-         4.50    (#   1911:25  Unique         3.85, 4.45 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#   34 ASP  HA           35 GLU  HG-         5.50    (#   1912:25  Unique         3.37, 4.43 A)
 &rst
  ixpk= 1912, nxpk= 25, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 558, 559,
 &end
#
#    0 AMB  25-2:1914    84 VAL  HB          5.50    (#   1914:25  Single Ambig)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1167,1172,1251,1252, 368, 373,
 &end
#
#   82 TYR  HE           25 PRO  HB-         5.50    (#   1926:25  Unique         4.64, 6.95 A)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 386, 387,
 &end
#
#   82 TYR  HE           25 PRO  HB+         5.50    (#   1927:25  Unique         4.64, 6.95 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2= 386, 387,
 &end
#
#   25 PRO  HD+          25 PRO  HB+         5.50    (#   1928:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 380, 381,
 igr2= 386, 387,
 &end
#
#   25 PRO  HD+          25 PRO  HB-         4.50    (#   1929:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 380, 381,
 igr2= 386, 387,
 &end
#
#   60 ASP  HN           59 MET  HB+         5.50    (#   1932:25  Unique         3.28, 4.02 A)
 &rst
  ixpk= 1932, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 920, 921,
 &end
#
#   59 MET  HN           59 MET  HB-         4.50    (#   1933:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 1933, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 920, 921,
 &end
#
#   37 VAL  HN           36 ARG  HB-         5.50    (#   1936:25  Unique         2.11, 3.32 A)
 &rst
  ixpk= 1936, nxpk= 25, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   43 GLN  HE2-         43 GLN  QG          4.50    (#   1939:25  Unique         2.23, 3.33 A)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 690, 691,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:1942    43 GLN  QG          5.50    (#   1942:25  Single Ambig)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 783, 673, 674,
 igr2= 685, 686,
 &end
#
#   88 PHE  HD           51 HIS  HB-         5.50    (#   1945:25  Unique         2.38, 4.78 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1369,1377,
 igr2= 808, 809,
 &end
#
#   51 HIS  HN           51 HIS  HB+         4.50    (#   1946:25  Unique         2.23, 2.96 A)
 &rst
  ixpk= 1946, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#   51 HIS  HN           51 HIS  HB-         4.50    (#   1947:25  Unique         2.23, 2.96 A)
 &rst
  ixpk= 1947, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#   88 PHE  HD           51 HIS  HB+         5.50    (#   1949:25  Unique         2.38, 4.78 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1369,1377,
 igr2= 808, 809,
 &end
#
#   51 HIS  HD2          51 HIS  HB-         5.50    (#   1950:25  Unique         2.52, 3.24 A)
 &rst
  ixpk= 1950, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#   51 HIS  HA           51 HIS  HB+         5.50    (#   1951:25  Unique         2.48, 2.80 A)
 &rst
  ixpk= 1951, nxpk= 25, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#   39 VAL  MGX          51 HIS  HB-         5.50    (#   1953:25  Unique         2.32, 4.93 A)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 631, 632, 633, 635, 636, 637,
 igr2= 808, 809,
 &end
#
#    0 AMB  25-2:1956    51 HIS  HB-         5.50    (#   1956:25  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 825, 826, 827, 610, 611,
 igr2= 808, 809,
 &end
#
#    0 AMB  25-2:1958    51 HIS  HB-         5.50    (#   1958:25  Single Ambig)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 258, 259, 629,
 igr2= 808, 809,
 &end
#
#   52 ALA  HA           53 VAL  HB          5.50    (#   1960:25  Unique         4.70, 4.83 A)
 &rst
  ixpk= 1960, nxpk= 25, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1966    33 HIS  HB-         5.50    (#   1966:25  Single Ambig)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 488, 489, 488, 489, 610, 611,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:1967     0 AMB  25-1:1967   5.50    (#   1967:25  Double Ambig)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 488, 489, 610, 611,
 igr2= 526, 527, 526, 527,
 &end
#
#   32 LEU  HA           33 HIS  HB-         5.50    (#   1968:25  Unique         4.46, 4.73 A)
 &rst
  ixpk= 1968, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   32 LEU  HA           33 HIS  HB+         5.50    (#   1969:25  Unique         4.46, 4.73 A)
 &rst
  ixpk= 1969, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   33 HIS  HN           33 HIS  HB-         4.50    (#   1970:25  Unique         2.74, 3.18 A)
 &rst
  ixpk= 1970, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 526, 527,
 &end
#
#   34 ASP  HN           33 HIS  HB-         5.50    (#   1971:25  Unique         3.04, 4.04 A)
 &rst
  ixpk= 1971, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   33 HIS  HN           33 HIS  HB+         4.50    (#   1974:25  Unique         2.74, 3.18 A)
 &rst
  ixpk= 1974, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-2:1975    64 ARG  HB-         4.50    (#   1975:25  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 995,1006,
 igr2= 986, 987,
 &end
#
#   65 TYR  HE           64 ARG  HB-         7.00    (#   1976:25  Unique         2.45, 5.68 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1016,1021,
 igr2= 986, 987,
 &end
#
#   64 ARG  HN           64 ARG  HB-         4.50    (#   1977:25  Unique         2.24, 3.44 A)
 &rst
  ixpk= 1977, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 986, 987,
 &end
#
#   60 ASP  HN           59 MET  HG+         5.50    (#   1978:25  Unique         4.42, 5.06 A)
 &rst
  ixpk= 1978, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 924,
 &end
#
#   60 ASP  HN           59 MET  HG-         5.50    (#   1979:25  Unique         4.42, 5.06 A)
 &rst
  ixpk= 1979, nxpk= 25, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 924,
 &end
#
#   51 HIS  HN           39 VAL  HB          4.50    (#   1983:25  Unique         2.10, 2.64 A)
 &rst
  ixpk= 1983, nxpk= 25, iat= 804, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1984    59 MET  HG-         5.50    (#   1984:25  Single Ambig)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 911, 912,1043,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1985     0 AMB  25-1:1985   5.50    (#   1985:25  Double Ambig)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 911, 912,1043,
 igr2= 923, 924, 923, 924,
 &end
#
#    0 AMB  25-2:1986    59 MET  HG-         5.50    (#   1986:25  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 899, 900,1055,1056,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1987     0 AMB  25-1:1987   5.50    (#   1987:25  Double Ambig)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 899, 900,1055,1056,
 igr2= 923, 924, 923, 924,
 &end
#
#   63 GLY  HA-          64 ARG  HB+         7.00    (#   1988:25  Unique         4.17, 5.36 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 977, 978,
 igr2= 986, 987,
 &end
#
#   80 ALA  HA           79 PRO  HB+         5.50    (#   1989:25  Unique         4.46, 5.26 A)
 &rst
  ixpk= 1989, nxpk= 25, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1225,1226,
 &end
#
#   79 PRO  HD+          79 PRO  HB-         4.50    (#   1990:25  Unique         2.84, 3.69 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1219,1220,
 igr2=1225,1226,
 &end
#
#   78 ASN  HA           79 PRO  HB-         5.50    (#   1991:25  Unique         4.91, 5.35 A)
 &rst
  ixpk= 1991, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1225,1226,
 &end
#
#   78 ASN  HA           79 PRO  HB+         7.00    (#   1992:25  Unique         4.91, 5.35 A)
 &rst
  ixpk= 1992, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1225,1226,
 &end
#
#   24 TYR  HD           79 PRO  HB+         5.50    (#   1993:25  Unique         4.82, 7.93 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2=1225,1226,
 &end
#
#   82 TYR  HE           79 PRO  HB+         5.50    (#   1994:25  Unique         3.10, 4.34 A)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1266,1271,
 igr2=1225,1226,
 &end
#
#   24 TYR  HD           79 PRO  HB-         5.50    (#   1995:25  Unique         4.82, 7.93 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2=1225,1226,
 &end
#
#   82 TYR  HE           79 PRO  HB-         4.50    (#   1996:25  Unique         3.10, 4.34 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1266,1271,
 igr2=1225,1226,
 &end
#
#   82 TYR  HD           79 PRO  HB+         5.50    (#   1997:25  Unique         3.41, 4.49 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2=1225,1226,
 &end
#
#   82 TYR  HD           79 PRO  HB-         5.50    (#   1998:25  Unique         3.41, 4.49 A)
 &rst
  ixpk= 1998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2=1225,1226,
 &end
#
#   80 ALA  HN           79 PRO  HB-         5.50    (#   1999:25  Unique         3.75, 4.22 A)
 &rst
  ixpk= 1999, nxpk= 25, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1225,1226,
 &end
#
#   77 GLY  HN           74 GLU  HB-         5.50    (#   2006:25  Unique         5.14, 5.46 A)
 &rst
  ixpk= 2006, nxpk= 25, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1146,1147,
 &end
#
#   65 TYR  HE           71 GLU  HB+         5.50    (#   2010:25  Unique         2.44, 5.79 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2=1096,1097,
 &end
#
#   65 TYR  HE           71 GLU  HB-         5.50    (#   2011:25  Unique         2.44, 5.79 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2=1096,1097,
 &end
#
#   65 TYR  HD           71 GLU  HB-         5.50    (#   2012:25  Unique         2.74, 5.78 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1096,1097,
 &end
#
#   65 TYR  HD           71 GLU  HB+         5.50    (#   2013:25  Unique         2.74, 5.78 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1014,1023,
 igr2=1096,1097,
 &end
#
#   72 VAL  HN           71 GLU  HB+         5.50    (#   2014:25  Unique         3.35, 4.22 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   73 LEU  HN           71 GLU  HB+         5.50    (#   2016:25  Unique         3.20, 4.57 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   73 LEU  HN           71 GLU  HB-         5.50    (#   2017:25  Unique         3.20, 4.57 A)
 &rst
  ixpk= 2017, nxpk= 25, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   74 GLU  HN           71 GLU  HB-         5.50    (#   2018:25  Unique         2.87, 3.80 A)
 &rst
  ixpk= 2018, nxpk= 25, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#    0 AMB  25-2:2019     0 AMB  25-1:2019   5.50    (#   2019:25  Double Ambig)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 igr2=1096,1097,1096,1097,1096,1097,
 &end
#
#    0 AMB  25-2:2020    71 GLU  HB-         4.50    (#   2020:25  Single Ambig)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 igr2=1096,1097,
 &end
#
#   75 TYR  HE           70 LYS  QD          4.50    (#   2021:25  Unique         4.67, 7.06 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1167,1172,
 igr2=1080,1081,
 &end
#
#    0 AMB  25-2:2024    70 LYS  QD          5.50    (#   2024:25  Single Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1063,1051,
 igr2=1080,1081,
 &end
#
#   32 LEU  HN           31 LYS  QD          4.50    (#   2026:25  Unique         3.27, 4.29 A)
 &rst
  ixpk= 2026, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 491, 492,
 &end
#
#   71 GLU  HN           70 LYS  QD          4.50    (#   2027:25  Unique         4.12, 4.73 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1080,1081,
 &end
#
#   37 VAL  HA           31 LYS  QD          4.50    (#   2028:25  Unique         4.20, 5.31 A)
 &rst
  ixpk= 2028, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 491, 492,
 &end
#
#   86 ILE  HA           56 ILE  HG1-        4.50    (#   2030:25  Unique         3.13, 3.83 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 886, 887,
 &end
#
#   86 ILE  MG2          56 ILE  HG1+        5.50    (#   2031:25  Unique         2.21, 3.81 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1324,1325,1326,
 igr2= 886, 887,
 &end
#
#   56 ILE  HA           56 ILE  HG1+        4.50    (#   2033:25  Unique         2.53, 2.87 A)
 &rst
  ixpk= 2033, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 886, 887,
 &end
#
#   86 ILE  HA           56 ILE  HG1+        5.50    (#   2034:25  Unique         3.13, 3.83 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   56 ILE  HN           56 ILE  HG1+        5.50    (#   2038:25  Unique         2.99, 3.70 A)
 &rst
  ixpk= 2038, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   56 ILE  HN           56 ILE  HG1-        5.50    (#   2039:25  Unique         2.99, 3.70 A)
 &rst
  ixpk= 2039, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   86 ILE  HN           86 ILE  HG1-        5.50    (#   2045:25  Unique         2.67, 3.49 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1328,1329,
 &end
#
#   57 ASN  HN           56 ILE  HG1-        5.50    (#   2047:25  Unique         4.32, 4.78 A)
 &rst
  ixpk= 2047, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   57 ASN  HN           56 ILE  HG1+        5.50    (#   2048:25  Unique         4.32, 4.78 A)
 &rst
  ixpk= 2048, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   38 LEU  HA           38 LEU  HG          5.50    (#   2054:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 2054, nxpk= 25, iat= 608, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LYS  HN           30 LEU  HG          5.50    (#   2056:25  Unique         2.80, 4.59 A)
 &rst
  ixpk= 2056, nxpk= 25, iat= 481, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HA           79 PRO  HG-         5.50    (#   2065:25  Unique         4.42, 4.55 A)
 &rst
  ixpk= 2065, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1222,1223,
 &end
#
#   36 ARG  HN           32 LEU  MDY         5.50    (#   2069:25  Unique         2.45, 5.03 A)
 &rst
  ixpk= 2069, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 512, 513, 514, 516, 517, 518,
 &end
#
#   71 GLU  HN           70 LYS  QG          5.50    (#   2075:25  Unique         3.85, 5.31 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1077,1078,
 &end
#
#   65 TYR  HD           64 ARG  HG+         4.50    (#   2076:25  Unique         2.62, 4.66 A)
 &rst
  ixpk= 2076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1014,1023,
 igr2= 989, 990,
 &end
#
#   65 TYR  HE           64 ARG  HG+         5.50    (#   2077:25  Unique         2.71, 4.34 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2= 989, 990,
 &end
#
#   75 TYR  HD           70 LYS  QG          5.50    (#   2078:25  Unique         2.17, 4.91 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2=1077,1078,
 &end
#
#   31 LYS  HN           31 LYS  HG+         5.50    (#   2083:25  Unique         2.36, 3.65 A)
 &rst
  ixpk= 2083, nxpk= 25, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   32 LEU  HN           31 LYS  HG+         5.50    (#   2084:25  Unique         3.16, 4.41 A)
 &rst
  ixpk= 2084, nxpk= 25, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   38 LEU  HN           31 LYS  HG-         5.50    (#   2090:25  Unique         3.52, 4.77 A)
 &rst
  ixpk= 2090, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   30 LEU  HA           31 LYS  HG-         5.50    (#   2093:25  Unique         3.75, 5.19 A)
 &rst
  ixpk= 2093, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   30 LEU  HA           31 LYS  HG+         5.50    (#   2094:25  Unique         3.75, 5.19 A)
 &rst
  ixpk= 2094, nxpk= 25, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#   32 LEU  HA           31 LYS  HG-         5.50    (#   2095:25  Unique         4.12, 5.60 A)
 &rst
  ixpk= 2095, nxpk= 25, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 488, 489,
 &end
#
#    0 AMB  25-2:2096    52 ALA  MB          5.50    (#   2096:25  Single Ambig)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 808, 809,1365,1366,
 igr2= 825, 826, 827,
 &end
#
#   88 PHE  HB-          52 ALA  MB          5.50    (#   2097:25  Unique         5.23, 6.71 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1365,1366,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  25-2:2098    52 ALA  MB          5.50    (#   2098:25  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 833, 808, 809,
 igr2= 825, 826, 827,
 &end
#
#   52 ALA  HN           39 VAL  MGY         5.50    (#   2100:25  Unique         4.11, 7.05 A)
 &rst
  ixpk= 2100, nxpk= 25, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 631, 632, 633, 635, 636, 637,
 &end
#
#   57 ASN  HN            0 AMB  25-1:2101   7.00    (#   2101:25  Single Ambig)
 &rst
  ixpk= 2101, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 870, 871, 872, 319, 320, 321,
 &end
#
#   51 HIS  HD2          52 ALA  MB          5.50    (#   2105:25  Unique         5.53, 6.71 A)
 &rst
  ixpk= 2105, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 825, 826, 827,
 &end
#
#   88 PHE  HD           52 ALA  MB          7.00    (#   2106:25  Unique         5.13, 7.97 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1369,1377,
 igr2= 825, 826, 827,
 &end
#
#   88 PHE  HA           53 VAL  MGY         5.50    (#   2114:25  Unique         4.01, 5.30 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   52 ALA  HA           53 VAL  MGY         5.50    (#   2115:25  Unique         3.63, 5.75 A)
 &rst
  ixpk= 2115, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 837, 838, 839, 841, 842, 843,
 &end
#
#   22 PHE  HN           84 VAL  MGY         5.50    (#   2117:25  Unique         2.96, 5.53 A)
 &rst
  ixpk= 2117, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   38 LEU  HN           40 ALA  MB          5.50    (#   2119:25  Unique         5.09, 6.54 A)
 &rst
  ixpk= 2119, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 645, 646, 647,
 &end
#
#   41 PHE  HD           49 VAL  MGY         5.50    (#   2120:25  Unique         3.22, 6.59 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 659, 667,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   90 ARG  HN           16 ALA  MB          5.50    (#   2127:25  Unique         3.07, 5.25 A)
 &rst
  ixpk= 2127, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 245, 246, 247,
 &end
#
#   56 ILE  HG1+         86 ILE  MG2         4.50    (#   2129:25  Unique         2.21, 3.81 A)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 886, 887,
 igr2=1324,1325,1326,
 &end
#
#   53 VAL  HB           86 ILE  MG2         4.50    (#   2130:25  Unique         2.69, 5.09 A)
 &rst
  ixpk= 2130, nxpk= 25, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1324,1325,1326,
 &end
#
#   53 VAL  HA           86 ILE  MG2         5.50    (#   2131:25  Unique         3.57, 4.30 A)
 &rst
  ixpk= 2131, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1324,1325,1326,
 &end
#
#   56 ILE  HA           86 ILE  MG2         4.50    (#   2132:25  Unique         3.21, 4.43 A)
 &rst
  ixpk= 2132, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1324,1325,1326,
 &end
#
#   22 PHE  HE           86 ILE  MG2         5.50    (#   2134:25  Unique         4.04, 6.39 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 337, 341,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:2135    86 ILE  MG2         5.50    (#   2135:25  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 866, 335, 343,
 igr2=1324,1325,1326,
 &end
#
#   54 LEU  HN           86 ILE  MG2         5.50    (#   2136:25  Unique         3.79, 4.64 A)
 &rst
  ixpk= 2136, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1324,1325,1326,
 &end
#
#   86 ILE  HN           86 ILE  MG2         4.50    (#   2137:25  Unique         4.44, 4.81 A)
 &rst
  ixpk= 2137, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1324,1325,1326,
 &end
#
#    0 AMB  25-2:2138    67 ALA  MB          7.00    (#   2138:25  Single Ambig)
 &rst
  ixpk= 2138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1055,1056, 965, 966,
 igr2=1045,1046,1047,
 &end
#
#   61 VAL  HN           67 ALA  MB          5.50    (#   2140:25  Unique         5.63, 6.83 A)
 &rst
  ixpk= 2140, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1045,1046,1047,
 &end
#
#   78 ASN  HA           80 ALA  MB          5.50    (#   2141:25  Unique         5.36, 6.10 A)
 &rst
  ixpk= 2141, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1236,1237,1238,
 &end
#
#   81 ASN  HD2-         80 ALA  MB          5.50    (#   2142:25  Unique         3.77, 7.02 A)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1251,1252,
 igr2=1236,1237,1238,
 &end
#
#   75 TYR  HA           56 ILE  MG2         7.00    (#   2145:25  Unique         6.68, 7.94 A)
 &rst
  ixpk= 2145, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 882, 883, 884,
 &end
#
#    0 AMB  25-2:2146    56 ILE  MG2         5.50    (#   2146:25  Single Ambig)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1311,1312,1311,1312,
 igr2= 882, 883, 884,
 &end
#
#   58 GLY  HN           56 ILE  MG2         5.50    (#   2153:25  Unique         4.92, 5.65 A)
 &rst
  ixpk= 2153, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 882, 883, 884,
 &end
#
#   53 VAL  HA            0 AMB  25-1:2156   5.50    (#   2156:25  Single Ambig)
 &rst
  ixpk= 2156, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#    0 AMB  25-2:2157    56 ILE  MD1         5.50    (#   2157:25  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1125,1159,
 igr2= 889, 890, 891,
 &end
#
#   61 VAL  HA           56 ILE  MD1         5.50    (#   2158:25  Unique         5.41, 6.65 A)
 &rst
  ixpk= 2158, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 889, 890, 891,
 &end
#
#   76 LEU  HN           56 ILE  MD1         4.50    (#   2159:25  Unique         4.58, 5.41 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 889, 890, 891,
 &end
#
#    0 AMB  25-2:2160     0 AMB  25-1:2160   5.50    (#   2160:25  Double Ambig)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1107, 847, 961,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   86 ILE  HN           86 ILE  MD1         4.50    (#   2161:25  Unique         3.81, 5.17 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1331,1332,1333,
 &end
#
#   57 ASN  HN           86 ILE  MD1         5.50    (#   2162:25  Unique         3.40, 6.38 A)
 &rst
  ixpk= 2162, nxpk= 25, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1331,1332,1333,
 &end
#
#   12 TYR  HE           11 SER  QB          5.50    (#   2168:25  Unique         3.54, 6.49 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 187,
 igr2= 165, 166,
 &end
#
#   11 SER  QB           12 TYR  HB+         5.50    (#   2171:25  Unique         3.62, 5.68 A)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 165, 166,
 igr2= 176, 177,
 &end
#
#   11 SER  QB           12 TYR  HB-         5.50    (#   2172:25  Unique         3.62, 5.68 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 165, 166,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:2177     0 AMB  25-1:2177   3.50    (#   2177:25  Double Ambig)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 856, 857, 858, 860, 861, 862, 510, 512, 513, 514,
       516, 517, 518,
 igr2= 253, 524,
 &end
#
#   86 ILE  HN           21 THR  HA          5.50    (#   2179:25  Unique         3.14, 3.45 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=1318, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2181     0 AMB  25-1:2181   5.50    (#   2181:25  Double Ambig)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 igr2= 331, 332, 331, 332,
 &end
#
#   30 LEU  HA           30 LEU  HG          4.50    (#   2183:25  Unique         2.51, 3.17 A)
 &rst
  ixpk= 2183, nxpk= 25, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LEU  HN           31 LYS  QD          5.50    (#   2185:25  Unique         2.87, 4.04 A)
 &rst
  ixpk= 2185, nxpk= 25, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 491, 492,
 &end
#
#   37 VAL  HA           32 LEU  HB-         5.50    (#   2186:25  Unique         3.61, 4.72 A)
 &rst
  ixpk= 2186, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 507, 508,
 &end
#
#   34 ASP  HN           33 HIS  HB+         5.50    (#   2189:25  Unique         3.04, 4.04 A)
 &rst
  ixpk= 2189, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   36 ARG  HN           34 ASP  HA          5.50    (#   2190:25  Unique         4.31, 4.43 A)
 &rst
  ixpk= 2190, nxpk= 25, iat= 566, 541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HB-          34 ASP  HB+         7.00    (#   2192:25  Unique         3.09, 5.62 A)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 570, 571,
 igr2= 543, 544,
 &end
#
#    0 AMB  25-2:2193     0 AMB  25-1:2193   5.50    (#   2193:25  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 543, 544, 543, 544,
 &end
#
#   36 ARG  HN           35 GLU  HB+         5.50    (#   2194:25  Unique         4.11, 4.39 A)
 &rst
  ixpk= 2194, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 555, 556,
 &end
#
#   36 ARG  HN           35 GLU  HB-         5.50    (#   2195:25  Unique         4.11, 4.39 A)
 &rst
  ixpk= 2195, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 555, 556,
 &end
#
#    0 AMB  25-2:2196     0 AMB  25-1:2196   7.00    (#   2196:25  Double Ambig)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 541, 984,
 igr2= 555, 556, 555, 556,
 &end
#
#    0 AMB  25-2:2197     0 AMB  25-1:2197   5.50    (#   2197:25  Double Ambig)
 &rst
  ixpk= 2197, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 512, 513, 514, 516, 517, 518, 510,
 igr2= 555, 556, 555, 556,
 &end
#
#   32 LEU  MDX          35 GLU  HB+         5.50    (#   2198:25  Unique         4.05, 6.50 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 512, 513, 514, 516, 517, 518,
 igr2= 555, 556,
 &end
#
#   36 ARG  HN           35 GLU  HG-         5.50    (#   2199:25  Unique         4.23, 5.26 A)
 &rst
  ixpk= 2199, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 558, 559,
 &end
#
#   34 ASP  HB+          35 GLU  HG-         5.50    (#   2201:25  Unique         5.26, 6.60 A)
 &rst
  ixpk= 2201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 558, 559,
 &end
#
#    0 AMB  25-2:2202    35 GLU  HG-         4.50    (#   2202:25  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 510,
 igr2= 558, 559,
 &end
#
#   63 GLY  HA-          36 ARG  HB-         7.00    (#   2205:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 977, 978,
 igr2= 570, 571,
 &end
#
#   63 GLY  HA-          36 ARG  HB+         7.00    (#   2206:25  Unique         2.80, 5.22 A)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 977, 978,
 igr2= 570, 571,
 &end
#
#   36 ARG  HA           36 ARG  HB+         3.50    (#   2207:25  Unique         2.24, 2.80 A)
 &rst
  ixpk= 2207, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-2:2208     0 AMB  25-1:2208   2.50    (#   2208:25  Double Ambig)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621,
 igr2= 570, 571, 570, 571,
 &end
#
#   36 ARG  HN           37 VAL  HA          5.50    (#   2209:25  Unique         4.56, 4.73 A)
 &rst
  ixpk= 2209, nxpk= 25, iat= 566, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LEU  HA            0 AMB  25-1:2210   5.50    (#   2210:25  Single Ambig)
 &rst
  ixpk= 2210, nxpk= 25, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592,1422,
 &end
#
#   39 VAL  HA           38 LEU  HA          5.50    (#   2211:25  Unique         4.35, 4.42 A)
 &rst
  ixpk= 2211, nxpk= 25, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2212    38 LEU  HA          5.50    (#   2212:25  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 25, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 799, 800, 643,
 &end
#
#   50 GLY  HN           39 VAL  HB          4.50    (#   2217:25  Unique         2.32, 2.67 A)
 &rst
  ixpk= 2217, nxpk= 25, iat= 797, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LEU  HA           39 VAL  HB          5.50    (#   2218:25  Unique         4.62, 4.73 A)
 &rst
  ixpk= 2218, nxpk= 25, iat= 608, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 VAL  HA           39 VAL  HB          5.50    (#   2219:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 2219, nxpk= 25, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HD           40 ALA  MB          5.50    (#   2221:25  Unique         2.65, 6.63 A)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 659, 667,
 igr2= 645, 646, 647,
 &end
#
#   39 VAL  MGY          41 PHE  HA          5.50    (#   2228:25  Unique         3.20, 6.02 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   29 LEU  HB-          41 PHE  HA          5.50    (#   2229:25  Unique         4.17, 5.15 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 447, 448,
 &end
#
#    0 AMB  25-2:2230    41 PHE  HA          4.50    (#   2230:25  Single Ambig)
 &rst
  ixpk= 2230, nxpk= 25, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 785, 447, 448,
 &end
#
#   39 VAL  MGY          42 GLY  HA-         4.50    (#   2232:25  Unique         2.44, 5.67 A)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 631, 632, 633, 635, 636, 637,
 igr2= 673, 674,
 &end
#
#   43 GLN  HE2-         49 VAL  MGY         5.50    (#   2235:25  Unique         2.84, 6.29 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 690, 691,
 igr2= 787, 788, 789, 791, 792, 793,
 &end
#
#   38 LEU  HB-          50 GLY  HA-         5.50    (#   2240:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611,
 igr2= 799, 800,
 &end
#
#   38 LEU  HB-          50 GLY  HA+         5.50    (#   2241:25  Unique         2.23, 4.67 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-2:2242    52 ALA  HA          5.50    (#   2242:25  Single Ambig)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 806,1390,
 &end
#
#    0 AMB  25-2:2243    52 ALA  HA          5.50    (#   2243:25  Single Ambig)
 &rst
  ixpk= 2243, nxpk= 25, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 833, 808, 809,
 &end
#
#   52 ALA  HA           53 VAL  HA          5.50    (#   2246:25  Unique         4.28, 4.43 A)
 &rst
  ixpk= 2246, nxpk= 25, iat= 823, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2247    53 VAL  HA          5.50    (#   2247:25  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 849, 806,
 &end
#
#   88 PHE  HB+          53 VAL  HA          5.50    (#   2248:25  Unique         2.16, 3.52 A)
 &rst
  ixpk= 2248, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1365,1366,
 &end
#
#   75 TYR  HD           70 LYS  HB+         5.50    (#   2249:25  Unique         2.65, 4.24 A)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2=1074,1075,
 &end
#
#   86 ILE  MG2          53 VAL  HB          5.50    (#   2250:25  Unique         2.69, 5.09 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1324,1325,1326,
 &end
#
#   54 LEU  HN           54 LEU  HB+         4.50    (#   2252:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 2252, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 851, 852,
 &end
#
#   54 LEU  HN           54 LEU  HB-         5.50    (#   2253:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 2253, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 851, 852,
 &end
#
#   55 ALA  HN           54 LEU  HB+         5.50    (#   2254:25  Unique         2.62, 3.34 A)
 &rst
  ixpk= 2254, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 851, 852,
 &end
#
#   55 ALA  HN           54 LEU  HB-         5.50    (#   2255:25  Unique         2.62, 3.34 A)
 &rst
  ixpk= 2255, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 851, 852,
 &end
#
#   54 LEU  HA           54 LEU  HB-         4.50    (#   2256:25  Unique         2.45, 2.80 A)
 &rst
  ixpk= 2256, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 851, 852,
 &end
#
#   86 ILE  HG1+         56 ILE  HA          5.50    (#   2258:25  Unique         2.74, 3.97 A)
 &rst
  ixpk= 2258, nxpk= 25, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1328,1329,
 &end
#
#   76 LEU  HG           56 ILE  MG2         5.50    (#   2260:25  Unique         3.17, 4.74 A)
 &rst
  ixpk= 2260, nxpk= 25, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 882, 883, 884,
 &end
#
#    0 AMB  25-2:2263     0 AMB  25-1:2263   5.50    (#   2263:25  Double Ambig)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 904, 905, 866, 945,
 igr2= 889, 890, 891,1331,1332,1333,
 &end
#
#   85 SER  HB+          57 ASN  HB+         5.50    (#   2264:25  Unique         4.05, 5.76 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1311,1312,
 igr2= 899, 900,
 &end
#
#   51 HIS  HD2          89 GLY  QA          5.50    (#   2266:25  Unique         2.26, 3.48 A)
 &rst
  ixpk= 2266, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1383,1384,
 &end
#
#   66 THR  MG2          59 MET  HG-         5.50    (#   2270:25  Unique         4.22, 6.67 A)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1033,1034,1035,
 igr2= 923, 924,
 &end
#
#   58 GLY  HA-          59 MET  HG+         5.50    (#   2271:25  Unique         4.02, 5.55 A)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 911, 912,
 igr2= 923, 924,
 &end
#
#   58 GLY  HA-          59 MET  HG-         5.50    (#   2272:25  Unique         4.02, 5.55 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 911, 912,
 igr2= 923, 924,
 &end
#
#   60 ASP  HA           60 ASP  HB-         3.50    (#   2279:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 2279, nxpk= 25, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   55 ALA  MB           60 ASP  HB-         5.50    (#   2280:25  Unique         3.45, 5.09 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 870, 871, 872,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-2:2281    60 ASP  HB-         5.50    (#   2281:25  Single Ambig)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 igr2= 937, 938,
 &end
#
#   67 ALA  MB           60 ASP  HB-         5.50    (#   2282:25  Unique         3.59, 5.80 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1045,1046,1047,
 igr2= 937, 938,
 &end
#
#   62 ASN  HA           61 VAL  HA          5.50    (#   2284:25  Unique         4.41, 4.45 A)
 &rst
  ixpk= 2284, nxpk= 25, iat= 963, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 MET  HA           61 VAL  HA          7.00    (#   2285:25  Unique         5.70, 6.11 A)
 &rst
  ixpk= 2285, nxpk= 25, iat= 918, 947, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 ALA  MB           61 VAL  HA          5.50    (#   2286:25  Unique         6.08, 6.69 A)
 &rst
  ixpk= 2286, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 870, 871, 872,
 &end
#
#   53 VAL  HA           53 VAL  HB          5.50    (#   2287:25  Unique         2.22, 2.90 A)
 &rst
  ixpk= 2287, nxpk= 25, iat= 833, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HE           64 ARG  HB+         5.50    (#   2289:25  Unique         2.45, 5.68 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1016,1021,
 igr2= 986, 987,
 &end
#
#    0 AMB  25-2:2290    64 ARG  HG-         5.50    (#   2290:25  Single Ambig)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 995,1006,
 igr2= 989, 990,
 &end
#
#   64 ARG  HA           64 ARG  HG+         4.50    (#   2291:25  Unique         2.55, 3.73 A)
 &rst
  ixpk= 2291, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   59 MET  HG+          66 THR  HB          7.00    (#   2295:25  Unique         3.67, 4.93 A)
 &rst
  ixpk= 2295, nxpk= 25, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 923, 924,
 &end
#
#   67 ALA  MB           68 ASP  HA          5.50    (#   2300:25  Unique         4.35, 4.92 A)
 &rst
  ixpk= 2300, nxpk= 25, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1045,1046,1047,
 &end
#
#   71 GLU  HN           70 LYS  QE          7.00    (#   2301:25  Unique         3.08, 5.98 A)
 &rst
  ixpk= 2301, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1083,1084,
 &end
#
#    0 AMB  25-2:2302     0 AMB  25-1:2302   5.50    (#   2302:25  Double Ambig)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 986, 987, 197, 198, 199,
 igr2=1094, 163,
 &end
#
#   72 VAL  HN           73 LEU  HA          5.50    (#   2303:25  Unique         5.42, 5.48 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2307     0 AMB  25-1:2307   5.50    (#   2307:25  Double Ambig)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1149,1150,1146,1147,
 igr2=1127,1128,1127,1128,
 &end
#
#    0 AMB  25-2:2308    73 LEU  HB-         5.50    (#   2308:25  Single Ambig)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1149,1150,1146,1147,
 igr2=1127,1128,
 &end
#
#   73 LEU  HN           74 GLU  HA          5.50    (#   2309:25  Unique         5.05, 5.34 A)
 &rst
  ixpk= 2309, nxpk= 25, iat=1123,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HN           74 GLU  HA          5.50    (#   2310:25  Unique         3.87, 4.12 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=1204,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LEU  HB-          74 GLU  HA          5.50    (#   2312:25  Unique         4.20, 4.50 A)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1127,1128,
 &end
#
#   75 TYR  HB-          74 GLU  HA          7.00    (#   2314:25  Unique         5.77, 5.84 A)
 &rst
  ixpk= 2314, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1161,1162,
 &end
#
#   73 LEU  MDX          74 GLU  HA          5.50    (#   2315:25  Unique         6.50, 7.22 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#   71 GLU  HN           74 GLU  HB+         5.50    (#   2316:25  Unique         3.27, 4.16 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1146,1147,
 &end
#
#   71 GLU  HN           74 GLU  HG-         5.50    (#   2317:25  Unique         4.46, 5.59 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   71 GLU  HN           74 GLU  HG+         7.00    (#   2318:25  Unique         4.46, 5.59 A)
 &rst
  ixpk= 2318, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1149,1150,
 &end
#
#   74 GLU  HN           75 TYR  HA          5.50    (#   2319:25  Unique         5.07, 5.14 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=1142,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 TYR  HA           75 TYR  HB+         4.50    (#   2320:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   76 LEU  MDX          76 LEU  HB-         3.50    (#   2321:25  Unique         2.41, 3.31 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1187,1188,1189,1191,1192,1193,
 igr2=1182,1183,
 &end
#
#   75 TYR  HD           76 LEU  HG          5.50    (#   2322:25  Unique         2.50, 4.76 A)
 &rst
  ixpk= 2322, nxpk= 25, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1165,1174,
 &end
#
#   78 ASN  HA           77 GLY  HA-         5.50    (#   2323:25  Unique         4.42, 4.68 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:2325    77 GLY  HA-         7.00    (#   2325:25  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1182,1183,1127,1128,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:2326     0 AMB  25-1:2326   5.50    (#   2326:25  Double Ambig)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1182,1183,1127,1128,
 igr2=1199,1200,1199,1200,
 &end
#
#   24 TYR  HN           79 PRO  HA          7.00    (#   2327:25  Unique         5.77, 6.28 A)
 &rst
  ixpk= 2327, nxpk= 25, iat= 358,1228, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   79 PRO  HD+          79 PRO  HA          5.50    (#   2328:25  Unique         3.45, 3.78 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   24 TYR  QB           79 PRO  HB-         5.50    (#   2329:25  Unique         5.19, 6.60 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 362, 363,
 igr2=1225,1226,
 &end
#
#   24 TYR  QB           79 PRO  HB+         7.00    (#   2330:25  Unique         5.19, 6.60 A)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 362, 363,
 igr2=1225,1226,
 &end
#
#   79 PRO  HG+          80 ALA  HA          5.50    (#   2334:25  Unique         4.55, 5.45 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1222,1223,
 &end
#
#    0 AMB  25-2:2335    81 ASN  HB-         7.00    (#   2335:25  Single Ambig)
 &rst
  ixpk= 2335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1213,1214,1204,
 igr2=1246,1247,
 &end
#
#   57 ASN  HD2-         84 VAL  HB          5.50    (#   2336:25  Unique         2.73, 4.34 A)
 &rst
  ixpk= 2336, nxpk= 25, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 904, 905,
 &end
#
#   57 ASN  HA           85 SER  HA          5.50    (#   2338:25  Unique         4.87, 5.17 A)
 &rst
  ixpk= 2338, nxpk= 25, iat= 897,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 THR  HA           85 SER  HB-         5.50    (#   2341:25  Unique         3.81, 4.44 A)
 &rst
  ixpk= 2341, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1311,1312,
 &end
#
#   86 ILE  HN           86 ILE  HB          5.50    (#   2343:25  Unique         2.72, 2.87 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=1318,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 ILE  MG2          86 ILE  HG1+        4.50    (#   2344:25  Unique         2.42, 3.57 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1324,1325,1326,
 igr2=1328,1329,
 &end
#
#   54 LEU  MDY          90 ARG  HB+         5.50    (#   2350:25  Unique         4.02, 7.28 A)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=1392,1393,
 &end
#
#   54 LEU  MDY          90 ARG  HB-         5.50    (#   2351:25  Unique         4.02, 7.28 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=1392,1393,
 &end
#
#   76 LEU  HN           72 VAL  HA          5.50    (#   2356:25  Unique         3.62, 3.75 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=1178,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2357    76 LEU  HA          5.50    (#   2357:25  Single Ambig)
 &rst
  ixpk= 2357, nxpk= 25, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1251,1252,1197,
 &end
#
#   86 ILE  MD1          22 PHE  HD          5.50    (#     15:26  Unique         2.52, 4.93 A)
 &rst
  ixpk= 15, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1331,1332,1333,
 igr2= 335, 343,
 &end
#
#   24 TYR  HN           82 TYR  HD          4.50    (#     24:26  Unique         3.03, 4.17 A)
 &rst
  ixpk= 24, nxpk= 26, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1264,1273,
 &end
#
#   81 ASN  HN           82 TYR  HD          5.50    (#     25:26  Unique         4.02, 5.42 A)
 &rst
  ixpk= 25, nxpk= 26, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1264,1273,
 &end
#
#   22 PHE  HE           22 PHE  HD          3.50    (#     26:26  Unique         2.47, 3.72 A)
 &rst
  ixpk= 26, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 337, 341,
 igr2= 335, 343,
 &end
#
#   24 TYR  HD           82 TYR  HD          5.50    (#     27:26  Unique         2.46, 5.18 A)
 &rst
  ixpk= 27, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 375,
 igr2=1264,1273,
 &end
#
#   82 TYR  HE           82 TYR  HD          2.50    (#     28:26  Unique         2.44, 3.72 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1266,1271,
 igr2=1264,1273,
 &end
#
#   76 LEU  HN           75 TYR  HD          5.50    (#     29:26  Unique         3.19, 4.59 A)
 &rst
  ixpk= 29, nxpk= 26, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1165,1174,
 &end
#
#   75 TYR  HN           75 TYR  HD          5.50    (#     30:26  Unique         4.32, 4.69 A)
 &rst
  ixpk= 30, nxpk= 26, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1165,1174,
 &end
#
#   81 ASN  HD2+         75 TYR  HD          5.50    (#     31:26  Unique         2.97, 4.10 A)
 &rst
  ixpk= 31, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1251,1252,
 igr2=1165,1174,
 &end
#
#   66 THR  HN           65 TYR  HD          5.50    (#     32:26  Unique         3.91, 5.09 A)
 &rst
  ixpk= 32, nxpk= 26, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   71 GLU  HN           65 TYR  HD          5.50    (#     33:26  Unique         3.32, 5.76 A)
 &rst
  ixpk= 33, nxpk= 26, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:34      65 TYR  HD          5.50    (#     34:26  Single Ambig)
 &rst
  ixpk= 34, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1107, 961,
 igr2=1014,1023,
 &end
#
#   64 ARG  HN           65 TYR  HD          5.50    (#     35:26  Unique         2.48, 4.71 A)
 &rst
  ixpk= 35, nxpk= 26, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   65 TYR  HN           65 TYR  HD          4.50    (#     36:26  Unique         2.77, 3.93 A)
 &rst
  ixpk= 36, nxpk= 26, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1014,1023,
 &end
#
#   70 LYS  HN           65 TYR  HD          5.50    (#     37:26  Unique         4.54, 6.56 A)
 &rst
  ixpk= 37, nxpk= 26, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   12 TYR  HN           12 TYR  HD          4.50    (#     38:26  Unique         2.10, 3.78 A)
 &rst
  ixpk= 38, nxpk= 26, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 180, 189,
 &end
#
#   82 TYR  HD           24 TYR  HD          5.50    (#     43:26  Unique         2.46, 5.18 A)
 &rst
  ixpk= 43, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1264,1273,
 igr2= 366, 375,
 &end
#
#   13 ALA  HN           12 TYR  HD          5.50    (#     44:26  Unique         2.70, 4.12 A)
 &rst
  ixpk= 44, nxpk= 26, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 180, 189,
 &end
#
#   62 ASN  HD2+         65 TYR  HD          7.00    (#     45:26  Unique         2.77, 5.28 A)
 &rst
  ixpk= 45, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 970, 971,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:48      75 TYR  HD          2.50    (#     48:26  Single Ambig)
 &rst
  ixpk= 48, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1167,1172,1251,1252,
 igr2=1165,1174,
 &end
#
#   65 TYR  HE           65 TYR  HD          2.50    (#     49:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 49, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1016,1021,
 igr2=1014,1023,
 &end
#
#   65 TYR  HA           65 TYR  HD          4.50    (#     50:26  Unique         2.45, 3.57 A)
 &rst
  ixpk= 50, nxpk= 26, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1014,1023,
 &end
#
#   81 ASN  HA           82 TYR  HD          7.00    (#     53:26  Unique         5.58, 6.77 A)
 &rst
  ixpk= 53, nxpk= 26, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1264,1273,
 &end
#
#   82 TYR  HA           82 TYR  HD          5.50    (#     55:26  Unique         2.00, 3.35 A)
 &rst
  ixpk= 55, nxpk= 26, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:56      82 TYR  HD          5.50    (#     56:26  Single Ambig)
 &rst
  ixpk= 56, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 351, 352,1199,1200,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:57      12 TYR  HD          4.50    (#     57:26  Single Ambig)
 &rst
  ixpk= 57, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 174, 195,
 igr2= 180, 189,
 &end
#
#   70 LYS  HA           65 TYR  HD          5.50    (#     59:26  Unique         3.61, 6.40 A)
 &rst
  ixpk= 59, nxpk= 26, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1014,1023,
 &end
#
#   71 GLU  HA           65 TYR  HD          4.50    (#     60:26  Unique         2.10, 4.04 A)
 &rst
  ixpk= 60, nxpk= 26, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:61      65 TYR  HD          5.50    (#     61:26  Single Ambig)
 &rst
  ixpk= 61, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1065,1066, 984,
 igr2=1014,1023,
 &end
#
#   75 TYR  HA           75 TYR  HD          4.50    (#     62:26  Unique         2.40, 3.48 A)
 &rst
  ixpk= 62, nxpk= 26, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1165,1174,
 &end
#
#   76 LEU  HA           75 TYR  HD          5.50    (#     63:26  Unique         3.30, 5.14 A)
 &rst
  ixpk= 63, nxpk= 26, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1165,1174,
 &end
#
#    0 AMB  26-2:64      24 TYR  HD          2.50    (#     64:26  Single Ambig)
 &rst
  ixpk= 64, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 368, 373,1266,1271,
 igr2= 366, 375,
 &end
#
#   24 TYR  HA           24 TYR  HD          4.50    (#     65:26  Unique         2.49, 3.53 A)
 &rst
  ixpk= 65, nxpk= 26, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 366, 375,
 &end
#
#    0 AMB  26-2:66      24 TYR  HD          5.50    (#     66:26  Single Ambig)
 &rst
  ixpk= 66, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1228, 331, 332,
 igr2= 366, 375,
 &end
#
#   25 PRO  HA           24 TYR  HD          5.50    (#     67:26  Unique         2.57, 4.45 A)
 &rst
  ixpk= 67, nxpk= 26, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 366, 375,
 &end
#
#   24 TYR  QB           24 TYR  HD          4.50    (#     68:26  Unique         2.30, 3.08 A)
 &rst
  ixpk= 68, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 362, 363,
 igr2= 366, 375,
 &end
#
#   76 LEU  HB+          24 TYR  HD          5.50    (#     69:26  Unique         4.46, 6.19 A)
 &rst
  ixpk= 69, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1182,1183,
 igr2= 366, 375,
 &end
#
#    0 AMB  26-2:70      24 TYR  HD          5.50    (#     70:26  Single Ambig)
 &rst
  ixpk= 70, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 386, 387, 383, 384,
 igr2= 366, 375,
 &end
#
#    0 AMB  26-2:71      82 TYR  HD          5.50    (#     71:26  Single Ambig)
 &rst
  ixpk= 71, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1278,1279, 360,
 igr2=1264,1273,
 &end
#
#   79 PRO  HA           82 TYR  HD          4.50    (#     72:26  Unique         2.15, 3.41 A)
 &rst
  ixpk= 72, nxpk= 26, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1264,1273,
 &end
#
#   22 PHE  HB+          22 PHE  HD          5.50    (#     73:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 73, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 335, 343,
 &end
#
#   69 GLY  HA-          65 TYR  HD          5.50    (#     74:26  Unique         3.86, 5.49 A)
 &rst
  ixpk= 74, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1065,1066,
 igr2=1014,1023,
 &end
#
#   82 TYR  HB-          82 TYR  HD          3.50    (#     76:26  Unique         2.36, 3.11 A)
 &rst
  ixpk= 76, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1260,1261,
 igr2=1264,1273,
 &end
#
#   22 PHE  HB-          22 PHE  HD          5.50    (#     77:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 77, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 335, 343,
 &end
#
#   12 TYR  HB-          12 TYR  HD          4.50    (#     78:26  Unique         2.32, 3.09 A)
 &rst
  ixpk= 78, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 177,
 igr2= 180, 189,
 &end
#
#   12 TYR  HB+          12 TYR  HD          3.50    (#     79:26  Unique         2.32, 3.09 A)
 &rst
  ixpk= 79, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 180, 189,
 &end
#
#    0 AMB  26-2:80      65 TYR  HD          3.50    (#     80:26  Single Ambig)
 &rst
  ixpk= 80, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1010,1011, 992, 993,
 igr2=1014,1023,
 &end
#
#   65 TYR  HB+          65 TYR  HD          3.50    (#     81:26  Unique         2.34, 3.09 A)
 &rst
  ixpk= 81, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1010,1011,
 igr2=1014,1023,
 &end
#
#   75 TYR  HB-          75 TYR  HD          3.50    (#     82:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 82, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1161,1162,
 igr2=1165,1174,
 &end
#
#   75 TYR  HB+          75 TYR  HD          3.50    (#     83:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 83, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1161,1162,
 igr2=1165,1174,
 &end
#
#   71 GLU  HG+          65 TYR  HD          5.50    (#     84:26  Unique         2.62, 5.61 A)
 &rst
  ixpk= 84, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,
 igr2=1014,1023,
 &end
#
#   71 GLU  HB+          65 TYR  HD          5.50    (#     85:26  Unique         2.74, 5.78 A)
 &rst
  ixpk= 85, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:86      75 TYR  HD          5.50    (#     86:26  Single Ambig)
 &rst
  ixpk= 86, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1146,1147,1149,1150,
 igr2=1165,1174,
 &end
#
#   81 ASN  HB+          75 TYR  HD          5.50    (#     87:26  Unique         3.54, 5.75 A)
 &rst
  ixpk= 87, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1246,1247,
 igr2=1165,1174,
 &end
#
#   81 ASN  HB+          82 TYR  HD          5.50    (#     88:26  Unique         4.61, 7.31 A)
 &rst
  ixpk= 88, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1246,1247,
 igr2=1264,1273,
 &end
#
#   81 ASN  HB-          82 TYR  HD          7.00    (#     89:26  Unique         4.61, 7.31 A)
 &rst
  ixpk= 89, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1246,1247,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:90      82 TYR  HD          5.50    (#     90:26  Single Ambig)
 &rst
  ixpk= 90, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1182,1183,1284,1285,1281,1282,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:91      65 TYR  HD          4.50    (#     91:26  Single Ambig)
 &rst
  ixpk= 91, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1099,1100,1096,1097,
 igr2=1014,1023,
 &end
#
#   76 LEU  HG           75 TYR  HD          4.50    (#     92:26  Unique         2.50, 4.76 A)
 &rst
  ixpk= 92, nxpk= 26, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1165,1174,
 &end
#
#   70 LYS  QD           75 TYR  HD          4.50    (#     93:26  Unique         3.06, 6.16 A)
 &rst
  ixpk= 93, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1080,1081,
 igr2=1165,1174,
 &end
#
#   13 ALA  MB           12 TYR  HD          5.50    (#     96:26  Unique         2.78, 6.37 A)
 &rst
  ixpk= 96, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 197, 198, 199,
 igr2= 180, 189,
 &end
#
#    0 AMB  26-2:97      65 TYR  HD          5.50    (#     97:26  Single Ambig)
 &rst
  ixpk= 97, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 986, 987, 989, 990,
 igr2=1014,1023,
 &end
#
#   70 LYS  QG           75 TYR  HD          5.50    (#     98:26  Unique         2.17, 4.91 A)
 &rst
  ixpk= 98, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1077,1078,
 igr2=1165,1174,
 &end
#
#    0 AMB  26-2:99      82 TYR  HD          7.00    (#     99:26  Single Ambig)
 &rst
  ixpk= 99, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1182,1183,1222,1223,
 igr2=1264,1273,
 &end
#
#   79 PRO  HB+          82 TYR  HD          5.50    (#    100:26  Unique         3.41, 4.49 A)
 &rst
  ixpk= 100, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1225,1226,
 igr2=1264,1273,
 &end
#
#    0 AMB  26-2:103     75 TYR  HD          3.50    (#    103:26  Single Ambig)
 &rst
  ixpk= 103, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 882, 883, 884,1187,1188,1189,1191,1192,1193,
 igr2=1165,1174,
 &end
#
#    0 AMB  26-2:104     65 TYR  HD          4.50    (#    104:26  Single Ambig)
 &rst
  ixpk= 104, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 igr2=1014,1023,
 &end
#
#    0 AMB  26-2:105     24 TYR  HD          5.50    (#    105:26  Single Ambig)
 &rst
  ixpk= 105, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1187,1188,1189,1191,1192,1193,1225,1226,
 igr2= 366, 375,
 &end
#
#   84 VAL  MGX          82 TYR  HD          5.50    (#    106:26  Unique         5.09, 7.99 A)
 &rst
  ixpk= 106, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2=1264,1273,
 &end
#
#   84 VAL  MGY          82 TYR  HD          7.00    (#    107:26  Unique         5.09, 7.99 A)
 &rst
  ixpk= 107, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2=1264,1273,
 &end
#
#   24 TYR  HN           24 TYR  HD          5.50    (#    108:26  Unique         2.66, 4.11 A)
 &rst
  ixpk= 108, nxpk= 26, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 366, 375,
 &end
#
#   86 ILE  HN           22 PHE  HE          5.50    (#    109:26  Unique         2.90, 5.46 A)
 &rst
  ixpk= 109, nxpk= 26, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 341,
 &end
#
#   42 GLY  HN           41 PHE  HD          5.50    (#    110:26  Unique         2.21, 3.82 A)
 &rst
  ixpk= 110, nxpk= 26, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 659, 667,
 &end
#
#   22 PHE  HZ           22 PHE  HE          4.50    (#    111:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 111, nxpk= 26, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 341,
 &end
#
#   41 PHE  HB+          41 PHE  HD          5.50    (#    114:26  Unique         2.35, 3.09 A)
 &rst
  ixpk= 114, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 659, 667,
 &end
#
#   41 PHE  HB-          41 PHE  HD          5.50    (#    115:26  Unique         2.35, 3.09 A)
 &rst
  ixpk= 115, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 655, 656,
 igr2= 659, 667,
 &end
#
#   88 PHE  HB-          88 PHE  HD          5.50    (#    116:26  Unique         2.29, 3.08 A)
 &rst
  ixpk= 116, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1365,1366,
 igr2=1369,1377,
 &end
#
#    0 AMB  26-2:117     88 PHE  HD          5.50    (#    117:26  Single Ambig)
 &rst
  ixpk= 117, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1365,1366, 808, 809,
 igr2=1369,1377,
 &end
#
#   22 PHE  HB-          22 PHE  HE          5.50    (#    118:26  Unique         4.61, 5.09 A)
 &rst
  ixpk= 118, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 337, 341,
 &end
#
#   22 PHE  HB+          22 PHE  HE          5.50    (#    119:26  Unique         4.61, 5.09 A)
 &rst
  ixpk= 119, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332,
 igr2= 337, 341,
 &end
#
#    0 AMB  26-2:120     22 PHE  HE          5.50    (#    120:26  Single Ambig)
 &rst
  ixpk= 120, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 295, 296,1322,
 igr2= 337, 341,
 &end
#
#   29 LEU  HB-          41 PHE  HD          5.50    (#    123:26  Unique         2.34, 5.23 A)
 &rst
  ixpk= 123, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 447, 448,
 igr2= 659, 667,
 &end
#
#   29 LEU  HB+          41 PHE  HD          5.50    (#    124:26  Unique         2.34, 5.23 A)
 &rst
  ixpk= 124, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 447, 448,
 igr2= 659, 667,
 &end
#
#    0 AMB  26-2:126     41 PHE  HD          5.50    (#    126:26  Single Ambig)
 &rst
  ixpk= 126, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 659, 667,
 &end
#
#    0 AMB  26-2:128     88 PHE  HD          3.50    (#    128:26  Single Ambig)
 &rst
  ixpk= 128, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
       842, 843,
 igr2=1369,1377,
 &end
#
#   86 ILE  MG2          22 PHE  HE          5.50    (#    130:26  Unique         4.04, 6.39 A)
 &rst
  ixpk= 130, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1324,1325,1326,
 igr2= 337, 341,
 &end
#
#   41 PHE  HA           41 PHE  HD          5.50    (#    133:26  Unique         2.42, 3.45 A)
 &rst
  ixpk= 133, nxpk= 26, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 659, 667,
 &end
#
#   24 TYR  HN           82 TYR  HE          4.50    (#    148:26  Unique         2.77, 5.25 A)
 &rst
  ixpk= 148, nxpk= 26, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1266,1271,
 &end
#
#   57 ASN  HD2-         75 TYR  HE          5.50    (#    150:26  Unique         2.46, 4.18 A)
 &rst
  ixpk= 150, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 904, 905,
 igr2=1167,1172,
 &end
#
#   82 TYR  HD           82 TYR  HE          2.50    (#    151:26  Unique         2.44, 3.72 A)
 &rst
  ixpk= 151, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1264,1273,
 igr2=1266,1271,
 &end
#
#   24 TYR  HD            0 AMB  26-1:152    2.50    (#    152:26  Single Ambig)
 &rst
  ixpk= 152, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 366, 375,
 igr2= 368, 373,1266,1271,
 &end
#
#   64 ARG  HE           65 TYR  HE          5.50    (#    153:26  Unique         2.45, 3.87 A)
 &rst
  ixpk= 153, nxpk= 26, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   75 TYR  HD           75 TYR  HE          2.50    (#    154:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 154, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1165,1174,
 igr2=1167,1172,
 &end
#
#   12 TYR  HD           12 TYR  HE          2.50    (#    155:26  Unique         2.42, 3.72 A)
 &rst
  ixpk= 155, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 180, 189,
 igr2= 182, 187,
 &end
#
#    0 AMB  26-2:156     12 TYR  HE          5.50    (#    156:26  Single Ambig)
 &rst
  ixpk= 156, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 172, 161,
 igr2= 182, 187,
 &end
#
#   64 ARG  HN           65 TYR  HE          5.50    (#    158:26  Unique         3.67, 5.64 A)
 &rst
  ixpk= 158, nxpk= 26, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   72 VAL  HN           65 TYR  HE          7.00    (#    159:26  Unique         5.18, 6.50 A)
 &rst
  ixpk= 159, nxpk= 26, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1016,1021,
 &end
#
#   71 GLU  HN           65 TYR  HE          5.50    (#    160:26  Unique         3.74, 6.63 A)
 &rst
  ixpk= 160, nxpk= 26, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   65 TYR  HA           65 TYR  HE          5.50    (#    161:26  Unique         4.75, 5.41 A)
 &rst
  ixpk= 161, nxpk= 26, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1016,1021,
 &end
#
#   76 LEU  HA            0 AMB  26-1:169    4.50    (#    169:26  Single Ambig)
 &rst
  ixpk= 169, nxpk= 26, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 368, 373,1167,1172,
 &end
#
#   77 GLY  HA-           0 AMB  26-1:170    5.50    (#    170:26  Single Ambig)
 &rst
  ixpk= 170, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1199,1200,
 igr2= 368, 373,1266,1271,
 &end
#
#   24 TYR  HA            0 AMB  26-1:171    5.50    (#    171:26  Single Ambig)
 &rst
  ixpk= 171, nxpk= 26, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 368, 373,1266,1271,
 &end
#
#    0 AMB  26-2:174     82 TYR  HE          4.50    (#    174:26  Single Ambig)
 &rst
  ixpk= 174, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 380, 381, 389,
 igr2=1266,1271,
 &end
#
#    0 AMB  26-2:175      0 AMB  26-1:175    3.50    (#    175:26  Double Ambig)
 &rst
  ixpk= 175, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 331, 332,1083,1084,1260,1261,1161,1162,
 igr2= 368, 373,1167,1172,
 &end
#
#   81 ASN  HB+          75 TYR  HE          4.50    (#    176:26  Unique         2.77, 5.48 A)
 &rst
  ixpk= 176, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1167,1172,
 &end
#
#   81 ASN  HB-          75 TYR  HE          5.50    (#    177:26  Unique         2.77, 5.48 A)
 &rst
  ixpk= 177, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1246,1247,
 igr2=1167,1172,
 &end
#
#   76 LEU  HB+          24 TYR  HE          3.50    (#    178:26  Unique         2.37, 4.77 A)
 &rst
  ixpk= 178, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1182,1183,
 igr2= 368, 373,
 &end
#
#   76 LEU  HB-          24 TYR  HE          3.50    (#    179:26  Unique         2.37, 4.77 A)
 &rst
  ixpk= 179, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1182,1183,
 igr2= 368, 373,
 &end
#
#    0 AMB  26-2:181      0 AMB  26-1:181    4.50    (#    181:26  Double Ambig)
 &rst
  ixpk= 181, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 886, 887,1222,1223,
 igr2=1167,1172,1266,1271,
 &end
#
#    0 AMB  26-2:182     65 TYR  HE          4.50    (#    182:26  Single Ambig)
 &rst
  ixpk= 182, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 986, 987, 989, 990,
 igr2=1016,1021,
 &end
#
#    0 AMB  26-2:184     65 TYR  HE          3.50    (#    184:26  Single Ambig)
 &rst
  ixpk= 184, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1096,1097,1099,1100,
 igr2=1016,1021,
 &end
#
#   71 GLU  HB+          65 TYR  HE          5.50    (#    185:26  Unique         2.44, 5.79 A)
 &rst
  ixpk= 185, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2=1016,1021,
 &end
#
#   71 GLU  HG+          65 TYR  HE          4.50    (#    186:26  Unique         2.54, 5.47 A)
 &rst
  ixpk= 186, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,
 igr2=1016,1021,
 &end
#
#   11 SER  QB           12 TYR  HE          5.50    (#    189:26  Unique         3.54, 6.49 A)
 &rst
  ixpk= 189, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 165, 166,
 igr2= 182, 187,
 &end
#
#   64 ARG  QD           65 TYR  HE          4.50    (#    190:26  Unique         2.57, 4.68 A)
 &rst
  ixpk= 190, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 992, 993,
 igr2=1016,1021,
 &end
#
#    0 AMB  26-2:192     65 TYR  HE          5.50    (#    192:26  Single Ambig)
 &rst
  ixpk= 192, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518,
 igr2=1016,1021,
 &end
#
#   64 ARG  HG-          65 TYR  HE          5.50    (#    193:26  Unique         2.71, 4.34 A)
 &rst
  ixpk= 193, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1016,1021,
 &end
#
#    0 AMB  26-2:195      0 AMB  26-1:195    2.50    (#    195:26  Double Ambig)
 &rst
  ixpk= 195, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1297,1298,1299,1301,1302,1303,1033,1034,1035,
 igr2=1167,1172, 368, 373,
 &end
#
#   52 ALA  HN           51 HIS  HD2         5.50    (#    196:26  Unique         3.54, 3.92 A)
 &rst
  ixpk= 196, nxpk= 26, iat= 821, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:197     51 HIS  HD2         5.50    (#    197:26  Single Ambig)
 &rst
  ixpk= 197, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1381,
 &end
#
#   51 HIS  HN           51 HIS  HD2         5.50    (#    198:26  Unique         4.30, 5.01 A)
 &rst
  ixpk= 198, nxpk= 26, iat= 804, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           51 HIS  HD2         5.50    (#    199:26  Unique         3.02, 6.24 A)
 &rst
  ixpk= 199, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#    0 AMB  26-2:201     51 HIS  HD2         5.50    (#    201:26  Single Ambig)
 &rst
  ixpk= 201, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 806,1390,
 &end
#
#   51 HIS  HB+          51 HIS  HD2         5.50    (#    204:26  Unique         2.52, 3.24 A)
 &rst
  ixpk= 204, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
#    0 AMB  26-2:205     51 HIS  HD2         5.50    (#    205:26  Single Ambig)
 &rst
  ixpk= 205, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 808, 809,1365,1366,
 &end
#
#   52 ALA  MB           51 HIS  HD2         5.50    (#    209:26  Unique         5.53, 6.71 A)
 &rst
  ixpk= 209, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 825, 826, 827,
 &end
#
#    0 AMB  26-2:210     51 HIS  HD2         5.50    (#    210:26  Single Ambig)
 &rst
  ixpk= 210, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 856, 857, 858, 860, 861, 862, 631, 632, 633, 635,
       636, 637,
 &end
#
#   91 PRO  QG           51 HIS  HD2         7.00    (#    214:26  Unique         5.70, 7.32 A)
 &rst
  ixpk= 214, nxpk= 26, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1416,1417,
 &end
#
#   76 LEU  HG            0 AMB  26-1:217    4.50    (#    217:26  Single Ambig)
 &rst
  ixpk= 217, nxpk= 26, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1167,1172, 368, 373,
 &end
#
#    0 AMB  26-2:219     75 TYR  HD          5.50    (#    219:26  Single Ambig)
 &rst
  ixpk= 219, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1072,1244,
 igr2=1165,1174,
 &end
#
#   34 ASP  HB-          34 ASP  HN          4.50    (#      0:15  Unique         2.85, 3.21 A)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 543, 544,
 &end
#
#   35 GLU  HN           34 ASP  HN          4.50    (#      1:15  Unique         2.76, 2.90 A)
 &rst
  ixpk= 1, nxpk= 15, iat= 551, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 HIS  HA           34 ASP  HN          2.50    (#      3:15  Unique         2.19, 2.27 A)
 &rst
  ixpk= 3, nxpk= 15, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   34 ASP  HA           34 ASP  HN          2.50    (#      4:15  Unique         2.24, 2.26 A)
 &rst
  ixpk= 4, nxpk= 15, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:5       34 ASP  HN          3.50    (#      5:15  Single Ambig)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 543, 544, 526, 527,
 &end
#
#   58 GLY  HN           57 ASN  HN          3.50    (#      6:15  Unique         2.86, 2.95 A)
 &rst
  ixpk= 6, nxpk= 15, iat= 909, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 ILE  HA           57 ASN  HN          4.50    (#      7:15  Unique         3.38, 3.52 A)
 &rst
  ixpk= 7, nxpk= 15, iat=1320, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HA           57 ASN  HN          2.50    (#      8:15  Unique         2.15, 2.20 A)
 &rst
  ixpk= 8, nxpk= 15, iat= 878, 895, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   57 ASN  HA           57 ASN  HN          2.50    (#      9:15  Unique         2.23, 2.25 A)
 &rst
  ixpk= 9, nxpk= 15, iat= 897, 895, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:10      57 ASN  HN          3.50    (#     10:15  Single Ambig)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   56 ILE  MG2          57 ASN  HN          2.50    (#     11:15  Unique         2.63, 3.31 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 882, 883, 884,
 &end
#
#   65 TYR  HA           72 VAL  HN          3.50    (#     13:15  Unique         2.56, 2.72 A)
 &rst
  ixpk= 13, nxpk= 15, iat=1008,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HA           72 VAL  HN          2.50    (#     14:15  Unique         2.14, 2.18 A)
 &rst
  ixpk= 14, nxpk= 15, iat=1094,1107, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   72 VAL  HA           72 VAL  HN          3.50    (#     15:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 15, nxpk= 15, iat=1109,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HB+          72 VAL  HN          5.50    (#     16:15  Unique         3.35, 4.22 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#    0 AMB  15-2:17      72 VAL  HN          4.50    (#     17:15  Single Ambig)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,1096,1097,
 &end
#
#   72 VAL  HB           72 VAL  HN          3.50    (#     18:15  Unique         2.20, 2.42 A)
 &rst
  ixpk= 18, nxpk= 15, iat=1111,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:19      72 VAL  HN          2.50    (#     19:15  Single Ambig)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,
 &end
#
#   73 LEU  HN           72 VAL  HN          4.50    (#     20:15  Unique         2.83, 2.93 A)
 &rst
  ixpk= 20, nxpk= 15, iat=1123,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 MET  HA           60 ASP  HN          2.50    (#     21:15  Unique         2.09, 2.16 A)
 &rst
  ixpk= 21, nxpk= 15, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   60 ASP  HB+          60 ASP  HN          3.50    (#     22:15  Unique         2.27, 2.47 A)
 &rst
  ixpk= 22, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#   60 ASP  HB-          60 ASP  HN          2.50    (#     23:15  Unique         2.27, 2.47 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 937, 938,
 &end
#
#   59 MET  HB-          60 ASP  HN          4.50    (#     24:15  Unique         3.28, 4.02 A)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   55 ALA  MB           60 ASP  HN          4.50    (#     25:15  Unique         3.78, 4.51 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  15-2:32      13 ALA  HN          3.50    (#     32:15  Single Ambig)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 174, 195,
 &end
#
#    0 AMB  15-2:33      13 ALA  HN          4.50    (#     33:15  Single Ambig)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 204, 205, 204, 205,
 &end
#
#   13 ALA  MB           13 ALA  HN          3.50    (#     34:15  Unique         2.44, 3.22 A)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 197, 198, 199,
 &end
#
#   85 SER  HN           86 ILE  HN          4.50    (#     35:15  Unique         4.31, 4.48 A)
 &rst
  ixpk= 35, nxpk= 15, iat=1307,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 PHE  HE           86 ILE  HN          4.50    (#     36:15  Unique         2.90, 5.46 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 337, 341,
 &end
#
#   85 SER  HA           86 ILE  HN          2.50    (#     37:15  Unique         2.22, 2.29 A)
 &rst
  ixpk= 37, nxpk= 15, iat=1309,1318, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   21 THR  HA           86 ILE  HN          4.50    (#     38:15  Unique         3.14, 3.45 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 315,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 ILE  HA           86 ILE  HN          3.50    (#     39:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 39, nxpk= 15, iat=1320,1318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:40      86 ILE  HN          4.50    (#     40:15  Single Ambig)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1311,1312,1311,1312,
 &end
#
#    0 AMB  15-2:41      86 ILE  HN          3.50    (#     41:15  Single Ambig)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1328,1329,1322,
 &end
#
#   86 ILE  HG1-         86 ILE  HN          3.50    (#     42:15  Unique         2.67, 3.49 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1328,1329,
 &end
#
#    0 AMB  15-2:43      86 ILE  HN          4.50    (#     43:15  Single Ambig)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1331,1332,1333, 882, 883, 884,
 &end
#
#   12 TYR  HD           13 ALA  HN          4.50    (#     44:15  Unique         2.70, 4.12 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 180, 189,
 &end
#
#   12 TYR  HB+          13 ALA  HN          4.50    (#     46:15  Unique         2.22, 3.49 A)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#    0 AMB  15-2:47      54 LEU  HN          3.50    (#     47:15  Single Ambig)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
       861, 862, 951, 952, 953, 955, 956, 957,
 &end
#
#   30 LEU  HA           30 LEU  HN          4.50    (#     48:15  Unique         2.92, 2.96 A)
 &rst
  ixpk= 48, nxpk= 15, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LEU  HA           30 LEU  HN          2.50    (#     49:15  Unique         2.23, 2.35 A)
 &rst
  ixpk= 49, nxpk= 15, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:50      30 LEU  HN          3.50    (#     50:15  Single Ambig)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 447, 448, 466, 467,
 &end
#
#   30 LEU  HB-          30 LEU  HN          4.50    (#     51:15  Unique         2.55, 3.20 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#    0 AMB  15-2:53      30 LEU  HN          3.50    (#     53:15  Single Ambig)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 &end
#
#   55 ALA  HN           54 LEU  HN          3.50    (#     54:15  Unique         1.83, 1.98 A)
 &rst
  ixpk= 54, nxpk= 15, iat= 866, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 VAL  HA           54 LEU  HN          2.50    (#     55:15  Unique         2.18, 2.23 A)
 &rst
  ixpk= 55, nxpk= 15, iat= 833, 847, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   54 LEU  HB-          54 LEU  HN          3.50    (#     56:15  Unique         2.39, 3.06 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 851, 852,
 &end
#
#   54 LEU  HB+          54 LEU  HN          4.50    (#     58:15  Unique         2.39, 3.06 A)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 851, 852,
 &end
#
#   21 THR  HA           22 PHE  HN          3.50    (#     60:15  Unique         2.17, 2.26 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 THR  MG2          22 PHE  HN          4.50    (#     61:15  Unique         2.43, 4.33 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 320, 321,
 &end
#
#   31 LYS  HN           38 LEU  HN          3.50    (#     62:15  Unique         2.55, 2.71 A)
 &rst
  ixpk= 62, nxpk= 15, iat= 481, 606, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:63      38 LEU  HN          3.50    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 613, 491, 492, 466, 467,
 &end
#
#   38 LEU  HB-          38 LEU  HN          3.50    (#     64:15  Unique         2.36, 3.13 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 610, 611,
 &end
#
#    0 AMB  15-2:66      96 ASN  HN          3.50    (#     66:15  Single Ambig)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1485,1496,
 &end
#
#   95 SER  QB           96 ASN  HN          4.50    (#     68:15  Unique         2.20, 3.69 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1487,1488,
 &end
#
#   96 ASN  QB           96 ASN  HN          4.50    (#     69:15  Unique         2.36, 2.88 A)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1498,1499,
 &end
#
#   36 ARG  HN           33 HIS  HN          3.50    (#     70:15  Unique         2.83, 2.92 A)
 &rst
  ixpk= 70, nxpk= 15, iat= 566, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 LEU  HA           33 HIS  HN          2.50    (#     71:15  Unique         2.19, 2.22 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   33 HIS  HA           33 HIS  HN          3.50    (#     72:15  Unique         2.88, 2.92 A)
 &rst
  ixpk= 72, nxpk= 15, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 VAL  HA           33 HIS  HN          3.50    (#     73:15  Unique         2.97, 3.35 A)
 &rst
  ixpk= 73, nxpk= 15, iat= 592, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 HIS  HB+          33 HIS  HN          3.50    (#     74:15  Unique         2.74, 3.18 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#   33 HIS  HB-          33 HIS  HN          3.50    (#     75:15  Unique         2.74, 3.18 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#    0 AMB  15-2:76      33 HIS  HN          3.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 613, 491, 492, 570, 571, 507, 508,
 &end
#
#   32 LEU  HB-          33 HIS  HN          4.50    (#     77:15  Unique         4.03, 4.35 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 507, 508,
 &end
#
#    0 AMB  15-2:78      33 HIS  HN          2.50    (#     78:15  Single Ambig)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518,
 &end
#
#   38 LEU  HA           38 LEU  HN          4.50    (#     79:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 79, nxpk= 15, iat= 608, 606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HA           38 LEU  HN          2.50    (#     80:15  Unique         2.07, 2.15 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 592, 606, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:81      38 LEU  HN          3.50    (#     81:15  Single Ambig)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616, 617, 619, 620, 621, 596, 597, 598, 600,
       601, 602, 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  15-2:83      16 ALA  HN          3.50    (#     83:15  Single Ambig)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 219, 243,
 &end
#
#    0 AMB  15-2:84      16 ALA  HN          4.50    (#     84:15  Single Ambig)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 221, 222,1392,1393, 210, 211,
 &end
#
#   16 ALA  MB           16 ALA  HN          3.50    (#     85:15  Unique         2.34, 3.17 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 245, 246, 247,
 &end
#
#    0 AMB  15-2:88      67 ALA  HN          2.50    (#     88:15  Single Ambig)
 &rst
  ixpk= 88, nxpk= 15, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1031,1029,
 &end
#
#   67 ALA  HA           67 ALA  HN          3.50    (#     89:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 89, nxpk= 15, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  MB           67 ALA  HN          2.50    (#     90:15  Unique         2.39, 2.82 A)
 &rst
  ixpk= 90, nxpk= 15, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1045,1046,1047,
 &end
#
#    0 AMB  15-2:91      67 ALA  HN          3.50    (#     91:15  Single Ambig)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
      1114,1115,1117,1118,1119,
 &end
#
#   65 TYR  HN           64 ARG  HN          2.50    (#     95:15  Unique         1.79, 2.07 A)
 &rst
  ixpk= 95, nxpk= 15, iat=1006, 982, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   63 GLY  HA-          64 ARG  HN          2.50    (#     96:15  Unique         2.20, 2.98 A)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 977, 978,
 &end
#
#    0 AMB  15-2:97      64 ARG  HN          4.50    (#     97:15  Single Ambig)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 596, 597, 598, 600, 601, 602,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119, 512, 513,
       514, 516, 517, 518, 512, 513, 514, 516, 517, 518,
       951, 952, 953, 955, 956, 957,
 &end
#
#   64 ARG  HG-          64 ARG  HN          4.50    (#     98:15  Unique         2.02, 3.14 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 989, 990,
 &end
#
#   65 TYR  HD           64 ARG  HN          5.50    (#     99:15  Unique         2.48, 4.71 A)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1014,1023,
 &end
#
#   64 ARG  QD           64 ARG  HN          4.50    (#    100:15  Unique         2.23, 4.27 A)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 992, 993,
 &end
#
#    0 AMB  15-2:101     64 ARG  HN          3.50    (#    101:15  Single Ambig)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 989, 990, 986, 987,
 &end
#
#   94 THR  HN           93 LEU  HN          5.50    (#    102:15  Unique         1.97, 3.73 A)
 &rst
  ixpk= 102, nxpk= 15, iat=1469,1450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 LEU  HA           93 LEU  HN          3.50    (#    104:15  Unique         2.22, 2.81 A)
 &rst
  ixpk= 104, nxpk= 15, iat=1452,1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   92 ARG  HA           93 LEU  HN          3.50    (#    105:15  Unique         2.25, 2.74 A)
 &rst
  ixpk= 105, nxpk= 15, iat=1428,1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 LEU  QB           93 LEU  HN          3.50    (#    106:15  Unique         2.29, 2.92 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1454,1455,
 &end
#
#   72 VAL  HN           71 GLU  HN          4.50    (#    110:15  Unique         4.50, 4.54 A)
 &rst
  ixpk= 110, nxpk= 15, iat=1107,1092, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 LYS  HA           71 GLU  HN          2.50    (#    111:15  Unique         2.28, 2.32 A)
 &rst
  ixpk= 111, nxpk= 15, iat=1072,1092, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   71 GLU  HA           71 GLU  HN          3.50    (#    112:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 112, nxpk= 15, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HG+          71 GLU  HN          4.50    (#    113:15  Unique         2.87, 4.36 A)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1099,1100,
 &end
#
#   71 GLU  HB+          71 GLU  HN          2.50    (#    114:15  Unique         2.25, 2.60 A)
 &rst
  ixpk= 114, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1096,1097,
 &end
#
#    0 AMB  15-2:115     71 GLU  HN          3.50    (#    115:15  Single Ambig)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,1099,1100,
 &end
#
#   70 LYS  QD           71 GLU  HN          4.50    (#    116:15  Unique         4.12, 4.73 A)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1080,1081,
 &end
#
#   70 LYS  QG           71 GLU  HN          5.50    (#    117:15  Unique         3.85, 5.31 A)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1077,1078,
 &end
#
#   61 VAL  HA           62 ASN  HN          2.50    (#    118:15  Unique         2.07, 2.18 A)
 &rst
  ixpk= 118, nxpk= 15, iat= 947, 961, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   62 ASN  HB+          62 ASN  HN          3.50    (#    119:15  Unique         2.35, 2.65 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 966,
 &end
#
#   62 ASN  HB-          62 ASN  HN          4.50    (#    120:15  Unique         2.35, 2.65 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966,
 &end
#
#   61 VAL  HB           62 ASN  HN          4.50    (#    121:15  Unique         2.30, 2.86 A)
 &rst
  ixpk= 121, nxpk= 15, iat= 949, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HA           62 ASN  HN          4.50    (#    122:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HA           62 ASN  HN          4.50    (#    123:15  Unique         3.10, 3.38 A)
 &rst
  ixpk= 123, nxpk= 15, iat=1029, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:124     62 ASN  HN          3.50    (#    124:15  Single Ambig)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 &end
#
#    0 AMB  15-2:133     32 LEU  HN          4.50    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 481,
 &end
#
#   32 LEU  HA           32 LEU  HN          3.50    (#    134:15  Unique         2.91, 2.96 A)
 &rst
  ixpk= 134, nxpk= 15, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LYS  HA           32 LEU  HN          2.50    (#    135:15  Unique         2.27, 2.40 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 483, 503, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:136     32 LEU  HN          2.50    (#    136:15  Single Ambig)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 507, 508, 485, 486,
 &end
#
#   32 LEU  HB-          32 LEU  HN          3.50    (#    137:15  Unique         2.24, 2.63 A)
 &rst
  ixpk= 137, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 507, 508,
 &end
#
#   31 LYS  HG-          32 LEU  HN          4.50    (#    138:15  Unique         3.16, 4.41 A)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 488, 489,
 &end
#
#   73 LEU  MDX          32 LEU  HN          4.50    (#    139:15  Unique         2.36, 4.50 A)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  15-2:140     32 LEU  HN          4.50    (#    140:15  Single Ambig)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1132,1133,1134,1136,1137,1138, 596, 597, 598, 600,
       601, 602,
 &end
#
#    0 AMB  15-2:143     90 ARG  HN          3.50    (#    143:15  Single Ambig)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1392,1393, 221, 222,
 &end
#
#   90 ARG  HB-          90 ARG  HN          3.50    (#    144:15  Unique         2.17, 3.07 A)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1392,1393,
 &end
#
#   74 GLU  HN           75 TYR  HN          3.50    (#    145:15  Unique         2.40, 2.50 A)
 &rst
  ixpk= 145, nxpk= 15, iat=1142,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HD           75 TYR  HN          4.50    (#    146:15  Unique         4.32, 4.69 A)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   75 TYR  HA           75 TYR  HN          3.50    (#    147:15  Unique         2.79, 2.81 A)
 &rst
  ixpk= 147, nxpk= 15, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HB+          75 TYR  HN          2.50    (#    148:15  Unique         2.30, 2.47 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1161,1162,
 &end
#
#   75 TYR  HB-          75 TYR  HN          2.50    (#    149:15  Unique         2.30, 2.47 A)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1161,1162,
 &end
#
#   74 GLU  HB-          75 TYR  HN          3.50    (#    150:15  Unique         2.57, 3.23 A)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1146,1147,
 &end
#
#    0 AMB  15-2:151     75 TYR  HN          4.50    (#    151:15  Single Ambig)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1096,1097,1099,1100,1185,
 &end
#
#    0 AMB  15-2:152     75 TYR  HN          4.50    (#    152:15  Single Ambig)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119,1033,1034,1035,1132,1133,1134,1136,1137,
      1138,
 &end
#
#   90 ARG  HA           90 ARG  HN          3.50    (#    154:15  Unique         2.83, 2.90 A)
 &rst
  ixpk= 154, nxpk= 15, iat=1390,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 GLY  QA           90 ARG  HN          2.50    (#    156:15  Unique         2.15, 2.60 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1383,1384,
 &end
#
#   90 ARG  QD           90 ARG  HN          4.50    (#    158:15  Unique         2.00, 3.76 A)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1398,1399,
 &end
#
#   54 LEU  MDY          90 ARG  HN          4.50    (#    159:15  Unique         2.85, 5.44 A)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    8 HIS  HA            9 LEU  HN          3.50    (#    162:15  Unique         2.23, 2.82 A)
 &rst
  ixpk= 162, nxpk= 15, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 HIS  QB            9 LEU  HN          3.50    (#    165:15  Unique         2.40, 3.58 A)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 117, 118,
 &end
#
#    0 AMB  15-2:166      9 LEU  HN          2.50    (#    166:15  Single Ambig)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 137, 134, 135,
 &end
#
#    0 AMB  15-2:168      9 LEU  HN          3.50    (#    168:15  Single Ambig)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
       144, 145,
 &end
#
#    0 AMB  15-2:171     37 VAL  HN          4.50    (#    171:15  Single Ambig)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
       601, 602,
 &end
#
#    7 HIS  HA            8 HIS  HN          2.50    (#    175:15  Unique         2.15, 2.38 A)
 &rst
  ixpk= 175, nxpk= 15, iat=  98, 113, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    8 HIS  HA            8 HIS  HN          3.50    (#    176:15  Unique         2.21, 2.82 A)
 &rst
  ixpk= 176, nxpk= 15, iat= 115, 113, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 HIS  QB            8 HIS  HN          4.50    (#    177:15  Unique         2.09, 3.41 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    8 HIS  QB            8 HIS  HN          3.50    (#    178:15  Unique         2.28, 3.13 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 117, 118,
 &end
#
#   91 PRO  HA           92 ARG  HN          3.50    (#    183:15  Unique         2.11, 2.82 A)
 &rst
  ixpk= 183, nxpk= 15, iat=1422,1426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:184     92 ARG  HN          5.50    (#    184:15  Single Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 576, 577,1436,1437,
 &end
#
#   91 PRO  HB+          92 ARG  HN          3.50    (#    185:15  Unique         2.36, 3.68 A)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1419,1420,
 &end
#
#    0 AMB  15-2:186     92 ARG  HN          3.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1430,1431,1392,1393,
 &end
#
#    0 AMB  15-2:188      0 AMB  15-1:188    4.50    (#    188:15  Double Ambig)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 856, 857, 858, 860, 861, 862, 882, 883, 884,1328,
      1329,
 igr2=1426,1307,
 &end
#
#   12 TYR  HA           12 TYR  HN          3.50    (#    189:15  Unique         2.21, 2.86 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TYR  HB-          12 TYR  HN          3.50    (#    190:15  Unique         2.27, 3.35 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 176, 177,
 &end
#
#   12 TYR  HD           12 TYR  HN          3.50    (#    194:15  Unique         2.10, 3.78 A)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 180, 189,
 &end
#
#   11 SER  HA           12 TYR  HN          3.50    (#    196:15  Unique         2.10, 2.81 A)
 &rst
  ixpk= 196, nxpk= 15, iat= 163, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  QB           12 TYR  HN          3.50    (#    197:15  Unique         2.02, 3.45 A)
 &rst
  ixpk= 197, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 165, 166,
 &end
#
#    0 AMB  15-2:199     52 ALA  HN          2.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 806,1390,
 &end
#
#   51 HIS  HB-          52 ALA  HN          4.50    (#    200:15  Unique         2.15, 3.29 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#   52 ALA  MB           52 ALA  HN          3.50    (#    201:15  Unique         2.35, 3.04 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 825, 826, 827,
 &end
#
#   84 VAL  HA           85 SER  HN          2.50    (#    203:15  Unique         2.26, 2.35 A)
 &rst
  ixpk= 203, nxpk= 15, iat=1293,1307, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:204     85 SER  HN          3.50    (#    204:15  Single Ambig)
 &rst
  ixpk= 204, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1311,1312,1311,1312,
 &end
#
#   84 VAL  MGX          85 SER  HN          4.50    (#    205:15  Unique         3.62, 4.51 A)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  15-2:207     15 ARG  HN          3.50    (#    207:15  Single Ambig)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 213, 219,
 &end
#
#   14 PRO  HB+          15 ARG  HN          3.50    (#    208:15  Unique         2.69, 3.67 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 210, 211,
 &end
#
#   15 ARG  HB-          15 ARG  HN          3.50    (#    209:15  Unique         2.27, 3.20 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 221, 222,
 &end
#
#   16 ALA  MB           15 ARG  HN          7.00    (#    210:15  Unique         3.83, 5.70 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 245, 246, 247,
 &end
#
#   10 ASP  HA           10 ASP  HN          3.50    (#    212:15  Unique         2.24, 2.85 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 151, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 LEU  HA           10 ASP  HN          2.50    (#    213:15  Unique         2.13, 2.32 A)
 &rst
  ixpk= 213, nxpk= 15, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   10 ASP  QB           10 ASP  HN          2.50    (#    215:15  Unique         2.23, 2.71 A)
 &rst
  ixpk= 215, nxpk= 15, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 153, 154,
 &end
#
#    0 AMB  15-2:217     10 ASP  HN          4.50    (#    217:15  Single Ambig)
 &rst
  ixpk= 217, nxpk= 15, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 137, 134, 135,
 &end
#
#    0 AMB  15-2:218     10 ASP  HN          3.50    (#    218:15  Single Ambig)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
       144, 145,
 &end
#
#    0 AMB  15-2:225      7 HIS  HN          3.50    (#    225:15  Single Ambig)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  81,  98,
 &end
#
#   23 SER  QB           24 TYR  HN          2.50    (#    226:15  Unique         2.15, 2.86 A)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 351, 352,
 &end
#
#   24 TYR  QB           24 TYR  HN          3.50    (#    228:15  Unique         2.14, 3.25 A)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 362, 363,
 &end
#
#   50 GLY  HN           51 HIS  HN          3.50    (#    229:15  Unique         2.59, 2.77 A)
 &rst
  ixpk= 229, nxpk= 15, iat= 797, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 HIS  HA           51 HIS  HN          3.50    (#    230:15  Unique         2.88, 2.93 A)
 &rst
  ixpk= 230, nxpk= 15, iat= 806, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 HIS  HB+          51 HIS  HN          3.50    (#    231:15  Unique         2.23, 2.96 A)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 808, 809,
 &end
#
#   51 HIS  HB-          51 HIS  HN          3.50    (#    232:15  Unique         2.23, 2.96 A)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 808, 809,
 &end
#
#   39 VAL  HB           51 HIS  HN          3.50    (#    233:15  Unique         2.10, 2.64 A)
 &rst
  ixpk= 233, nxpk= 15, iat= 629, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:234     51 HIS  HN          4.50    (#    234:15  Single Ambig)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
       620, 621, 787, 788, 789, 791, 792, 793, 787, 788,
       789, 791, 792, 793,
 &end
#
#   39 VAL  MGX          51 HIS  HN          3.50    (#    235:15  Unique         3.53, 4.64 A)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   58 GLY  HN           59 MET  HN          3.50    (#    236:15  Unique         2.45, 2.65 A)
 &rst
  ixpk= 236, nxpk= 15, iat= 909, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 MET  HA           59 MET  HN          3.50    (#    237:15  Unique         2.93, 2.95 A)
 &rst
  ixpk= 237, nxpk= 15, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:238     59 MET  HN          3.50    (#    238:15  Single Ambig)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 924, 923, 924,
 &end
#
#   59 MET  HB+          59 MET  HN          3.50    (#    239:15  Unique         2.36, 3.09 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#   55 ALA  MB           59 MET  HN          4.50    (#    240:15  Unique         2.97, 4.60 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 870, 871, 872,
 &end
#
#   17 GLU  HA           17 GLU  HN          3.50    (#    241:15  Unique         2.20, 2.76 A)
 &rst
  ixpk= 241, nxpk= 15, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 ALA  HA           17 GLU  HN          3.50    (#    242:15  Unique         2.22, 2.70 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 243, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  QG           17 GLU  HN          3.50    (#    243:15  Unique         2.22, 3.48 A)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#   17 GLU  HB+          17 GLU  HN          3.50    (#    244:15  Unique         2.29, 3.31 A)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 255, 256,
 &end
#
#    0 AMB  15-2:245     17 GLU  HN          3.50    (#    245:15  Single Ambig)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 255, 256, 221, 222,
 &end
#
#   90 ARG  HB-          17 GLU  HN          7.00    (#    246:15  Unique         5.03, 7.24 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1392,1393,
 &end
#
#   16 ALA  MB           17 GLU  HN          3.50    (#    247:15  Unique         2.00, 3.50 A)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 245, 246, 247,
 &end
#
#    0 AMB  15-2:250     70 LYS  HN          4.50    (#    250:15  Single Ambig)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,1083,1084,
 &end
#
#   62 ASN  HN           65 TYR  HN          4.50    (#    255:15  Unique         2.84, 3.42 A)
 &rst
  ixpk= 255, nxpk= 15, iat= 961,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ARG  HN           65 TYR  HN          2.50    (#    256:15  Unique         1.79, 2.07 A)
 &rst
  ixpk= 256, nxpk= 15, iat= 982,1006, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   65 TYR  HA           65 TYR  HN          3.50    (#    258:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 258, nxpk= 15, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ARG  HA           65 TYR  HN          3.50    (#    259:15  Unique         3.01, 3.31 A)
 &rst
  ixpk= 259, nxpk= 15, iat= 984,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HA-          65 TYR  HN          4.50    (#    260:15  Unique         3.67, 4.39 A)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 977, 978,
 &end
#
#    0 AMB  15-2:261     65 TYR  HN          3.50    (#    261:15  Single Ambig)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1010,1011, 992, 993,
 &end
#
#   64 ARG  HB+          65 TYR  HN          4.50    (#    262:15  Unique         3.14, 4.36 A)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#    0 AMB  15-2:263     65 TYR  HN          4.50    (#    263:15  Single Ambig)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990, 986, 987,
 &end
#
#   65 TYR  HD           65 TYR  HN          3.50    (#    265:15  Unique         2.77, 3.93 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1014,1023,
 &end
#
#   65 TYR  HB+          65 TYR  HN          3.50    (#    266:15  Unique         2.59, 3.23 A)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   61 VAL  HB           65 TYR  HN          5.50    (#    267:15  Unique         3.56, 3.84 A)
 &rst
  ixpk= 267, nxpk= 15, iat= 949,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:268     65 TYR  HN          4.50    (#    268:15  Single Ambig)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
      1118,1119, 596, 597, 598, 600, 601, 602, 596, 597,
       598, 600, 601, 602,
 &end
#
#   66 THR  HN           70 LYS  HN          3.50    (#    269:15  Unique         2.87, 3.06 A)
 &rst
  ixpk= 269, nxpk= 15, iat=1027,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:270     70 LYS  HN          4.50    (#    270:15  Single Ambig)
 &rst
  ixpk= 270, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1092,1041,
 &end
#
#   69 GLY  HN           70 LYS  HN          2.50    (#    271:15  Unique         2.05, 2.10 A)
 &rst
  ixpk= 271, nxpk= 15, iat=1063,1070, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   70 LYS  HA           70 LYS  HN          3.50    (#    273:15  Unique         2.85, 2.90 A)
 &rst
  ixpk= 273, nxpk= 15, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:274     70 LYS  HN          4.50    (#    274:15  Single Ambig)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1031,1029,
 &end
#
#   69 GLY  HA+          70 LYS  HN          3.50    (#    275:15  Unique         3.21, 3.36 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   69 GLY  HA-          70 LYS  HN          3.50    (#    276:15  Unique         3.21, 3.36 A)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   70 LYS  HB+          70 LYS  HN          3.50    (#    277:15  Unique         2.26, 3.03 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1074,1075,
 &end
#
#   70 LYS  QG           70 LYS  HN          3.50    (#    278:15  Unique         2.06, 2.94 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1077,1078,
 &end
#
#   66 THR  MG2          70 LYS  HN          3.50    (#    279:15  Unique         3.71, 4.37 A)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1033,1034,1035,
 &end
#
#   54 LEU  HN           55 ALA  HN          2.50    (#    286:15  Unique         1.83, 1.98 A)
 &rst
  ixpk= 286, nxpk= 15, iat= 847, 866, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   54 LEU  HB+          55 ALA  HN          4.50    (#    288:15  Unique         2.62, 3.34 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 851, 852,
 &end
#
#   55 ALA  MB           55 ALA  HN          3.50    (#    289:15  Unique         2.93, 3.51 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  15-2:290     55 ALA  HN          3.50    (#    290:15  Single Ambig)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 837, 838, 839, 841, 842, 843, 951, 952, 953, 955,
       956, 957, 951, 952, 953, 955, 956, 957,
 &end
#
#   53 VAL  MGY          55 ALA  HN          3.50    (#    291:15  Unique         2.79, 4.84 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 837, 838, 839, 841, 842, 843,
 &end
#
#    0 AMB  15-2:292     74 GLU  HN          2.50    (#    292:15  Single Ambig)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1146,1147,1149,1150,
 &end
#
#   38 LEU  HN           31 LYS  HN          3.50    (#    293:15  Unique         2.55, 2.71 A)
 &rst
  ixpk= 293, nxpk= 15, iat= 606, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:294     31 LYS  HN          4.50    (#    294:15  Single Ambig)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 462,
 &end
#
#   30 LEU  HA           31 LYS  HN          2.50    (#    295:15  Unique         2.28, 2.38 A)
 &rst
  ixpk= 295, nxpk= 15, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   31 LYS  HA           31 LYS  HN          3.50    (#    296:15  Unique         2.91, 2.94 A)
 &rst
  ixpk= 296, nxpk= 15, iat= 483, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:297     31 LYS  HN          3.50    (#    297:15  Single Ambig)
 &rst
  ixpk= 297, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 491, 492, 466, 467,
 &end
#
#    0 AMB  15-2:298     31 LYS  HN          3.50    (#    298:15  Single Ambig)
 &rst
  ixpk= 298, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 488, 489, 645, 646, 647,
 &end
#
#   30 LEU  HB-          31 LYS  HN          3.50    (#    299:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 466, 467,
 &end
#
#   77 GLY  HN           78 ASN  HN          3.50    (#    302:15  Unique         2.69, 2.76 A)
 &rst
  ixpk= 302, nxpk= 15, iat=1197,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ASN  HD2+         78 ASN  HN          5.50    (#    303:15  Unique         4.60, 5.28 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1213,1214,
 &end
#
#    0 AMB  15-2:304     78 ASN  HN          4.50    (#    304:15  Single Ambig)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1251,1252,1266,1271,
 &end
#
#   78 ASN  HA           78 ASN  HN          3.50    (#    305:15  Unique         2.74, 2.85 A)
 &rst
  ixpk= 305, nxpk= 15, iat=1206,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 GLY  HA+          78 ASN  HN          3.50    (#    306:15  Unique         2.87, 3.27 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1199,1200,
 &end
#
#   77 GLY  HA-          78 ASN  HN          3.50    (#    307:15  Unique         2.87, 3.27 A)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1199,1200,
 &end
#
#   78 ASN  HB+          78 ASN  HN          2.50    (#    308:15  Unique         2.38, 2.49 A)
 &rst
  ixpk= 308, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1208,1209,
 &end
#
#   78 ASN  HB-          78 ASN  HN          2.50    (#    309:15  Unique         2.38, 2.49 A)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1208,1209,
 &end
#
#    0 AMB  15-2:311     80 ALA  HN          5.50    (#    311:15  Single Ambig)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1256,1264,1273,
 &end
#
#   78 ASN  HD2-         80 ALA  HN          5.50    (#    312:15  Unique         3.40, 4.22 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1213,1214,
 &end
#
#   78 ASN  HA           80 ALA  HN          4.50    (#    313:15  Unique         3.78, 3.86 A)
 &rst
  ixpk= 313, nxpk= 15, iat=1206,1232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ALA  HA           80 ALA  HN          3.50    (#    314:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 314, nxpk= 15, iat=1234,1232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PRO  HD+          80 ALA  HN          3.50    (#    315:15  Unique         2.86, 3.52 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1219,1220,
 &end
#
#    0 AMB  15-2:316     80 ALA  HN          3.50    (#    316:15  Single Ambig)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1219,1220,1228,
 &end
#
#   79 PRO  HG+          80 ALA  HN          3.50    (#    317:15  Unique         2.79, 3.74 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1222,1223,
 &end
#
#   79 PRO  HB+          80 ALA  HN          4.50    (#    318:15  Unique         3.75, 4.22 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1225,1226,
 &end
#
#   80 ALA  MB           80 ALA  HN          2.50    (#    319:15  Unique         2.50, 2.89 A)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1236,1237,1238,
 &end
#
#   79 PRO  HB-          80 ALA  HN          4.50    (#    320:15  Unique         3.75, 4.22 A)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1225,1226,
 &end
#
#   51 HIS  HN           39 VAL  HN          4.50    (#    321:15  Unique         3.05, 3.46 A)
 &rst
  ixpk= 321, nxpk= 15, iat= 804, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LEU  HB+          39 VAL  HN          3.50    (#    322:15  Unique         2.62, 3.37 A)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 610, 611,
 &end
#
#   38 LEU  HA           39 VAL  HN          2.50    (#    324:15  Unique         2.24, 2.29 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 608, 625, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   39 VAL  HA           39 VAL  HN          4.50    (#    325:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 325, nxpk= 15, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HB           39 VAL  HN          3.50    (#    326:15  Unique         2.38, 2.46 A)
 &rst
  ixpk= 326, nxpk= 15, iat= 629, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LEU  HB-          39 VAL  HN          3.50    (#    327:15  Unique         2.62, 3.37 A)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 610, 611,
 &end
#
#   39 VAL  MGX          39 VAL  HN          3.50    (#    328:15  Unique         2.12, 3.80 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   59 MET  HN           56 ILE  HN          3.50    (#    330:15  Unique         2.75, 3.05 A)
 &rst
  ixpk= 330, nxpk= 15, iat= 916, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:332     56 ILE  HN          3.50    (#    332:15  Single Ambig)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 878, 935,
 &end
#
#   56 ILE  HB           56 ILE  HN          3.50    (#    333:15  Unique         2.75, 2.83 A)
 &rst
  ixpk= 333, nxpk= 15, iat= 880, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ALA  MB           56 ILE  HN          2.50    (#    334:15  Unique         2.55, 3.38 A)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 870, 871, 872,
 &end
#
#    0 AMB  15-2:335     56 ILE  HN          2.50    (#    335:15  Single Ambig)
 &rst
  ixpk= 335, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   81 ASN  HN           82 TYR  HN          3.50    (#    336:15  Unique         2.22, 2.45 A)
 &rst
  ixpk= 336, nxpk= 15, iat=1242,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:337     82 TYR  HN          5.50    (#    337:15  Single Ambig)
 &rst
  ixpk= 337, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1251,1252, 368, 373,
 &end
#
#   81 ASN  HA           82 TYR  HN          3.50    (#    338:15  Unique         2.71, 3.04 A)
 &rst
  ixpk= 338, nxpk= 15, iat=1244,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 TYR  HA           82 TYR  HN          3.50    (#    339:15  Unique         2.83, 2.87 A)
 &rst
  ixpk= 339, nxpk= 15, iat=1258,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PRO  HA           82 TYR  HN          4.50    (#    340:15  Unique         2.82, 3.11 A)
 &rst
  ixpk= 340, nxpk= 15, iat=1228,1256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR  HB-          82 TYR  HN          3.50    (#    341:15  Unique         2.08, 2.86 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1260,1261,
 &end
#
#    0 AMB  15-2:347     95 SER  HN          3.50    (#    347:15  Single Ambig)
 &rst
  ixpk= 347, nxpk= 15, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1485,1471,
 &end
#
#    0 AMB  15-2:348     95 SER  HN          4.50    (#    348:15  Single Ambig)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1473,1428,
 &end
#
#    0 AMB  15-2:349      0 AMB  15-1:349    2.50    (#    349:15  Double Ambig)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1487,1488,  23,  24,
 igr2=1483,  28,
 &end
#
#   72 VAL  HN           73 LEU  HN          3.50    (#    350:15  Unique         2.83, 2.93 A)
 &rst
  ixpk= 350, nxpk= 15, iat=1107,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 GLU  HN           73 LEU  HN          4.50    (#    351:15  Unique         2.35, 2.69 A)
 &rst
  ixpk= 351, nxpk= 15, iat=1142,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 LEU  HA           73 LEU  HN          3.50    (#    352:15  Unique         2.77, 2.87 A)
 &rst
  ixpk= 352, nxpk= 15, iat=1125,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:353     73 LEU  HN          5.50    (#    353:15  Single Ambig)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,1149,1150,
 &end
#
#   73 LEU  HB+          73 LEU  HN          3.50    (#    354:15  Unique         2.35, 3.06 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1127,1128,
 &end
#
#    0 AMB  15-2:355     73 LEU  HN          3.50    (#    355:15  Single Ambig)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1130,1111,
 &end
#
#   73 LEU  HB-          73 LEU  HN          3.50    (#    356:15  Unique         2.35, 3.06 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1127,1128,
 &end
#
#   73 LEU  MDX          73 LEU  HN          4.50    (#    357:15  Unique         1.88, 4.33 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1132,1133,1134,1136,1137,1138,
 &end
#
#    0 AMB  15-2:358     73 LEU  HN          3.50    (#    358:15  Single Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  15-2:359     95 SER  HN          3.50    (#    359:15  Single Ambig)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1469,1494,
 &end
#
#   40 ALA  HN           41 PHE  HN          2.50    (#    362:15  Unique         1.95, 2.25 A)
 &rst
  ixpk= 362, nxpk= 15, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   30 LEU  HN           41 PHE  HN          5.50    (#    363:15  Unique         4.62, 4.64 A)
 &rst
  ixpk= 363, nxpk= 15, iat= 462, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HA           41 PHE  HN          3.50    (#    365:15  Unique         3.56, 3.57 A)
 &rst
  ixpk= 365, nxpk= 15, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 PHE  HA           41 PHE  HN          3.50    (#    366:15  Unique         2.90, 2.94 A)
 &rst
  ixpk= 366, nxpk= 15, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 VAL  HA           41 PHE  HN          4.50    (#    367:15  Unique         3.54, 3.78 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 627, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 PHE  HB+          41 PHE  HN          3.50    (#    368:15  Unique         2.87, 3.23 A)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 655, 656,
 &end
#
#   41 PHE  HB-          41 PHE  HN          3.50    (#    369:15  Unique         2.87, 3.23 A)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 655, 656,
 &end
#
#   29 LEU  HB+          41 PHE  HN          4.50    (#    370:15  Unique         2.17, 3.36 A)
 &rst
  ixpk= 370, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 447, 448,
 &end
#
#   29 LEU  HB-          41 PHE  HN          3.50    (#    371:15  Unique         2.17, 3.36 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 447, 448,
 &end
#
#   40 ALA  MB           41 PHE  HN          3.50    (#    372:15  Unique         2.47, 3.41 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 645, 646, 647,
 &end
#
#    0 AMB  15-2:373     41 PHE  HN          3.50    (#    373:15  Single Ambig)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#    0 AMB  15-2:374     41 PHE  HN          3.50    (#    374:15  Single Ambig)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 631, 632, 633, 635, 636, 637, 471, 472, 473, 475,
       476, 477,
 &end
#
#   60 ASP  HA           61 VAL  HN          2.50    (#    376:15  Unique         2.21, 2.26 A)
 &rst
  ixpk= 376, nxpk= 15, iat= 935, 945, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:377     61 VAL  HN          2.50    (#    377:15  Single Ambig)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   78 ASN  HD2+         81 ASN  HD2-        4.50    (#    380:15  Unique         3.21, 5.29 A)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1213,1214,
 igr2=1251,1252,
 &end
#
#   78 ASN  HB+          81 ASN  HD2-        3.50    (#    382:15  Unique         2.35, 4.57 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1251,1252,
 &end
#
#   81 ASN  HB+          81 ASN  HD2-        4.50    (#    383:15  Unique         2.16, 3.24 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1251,1252,
 &end
#
#    0 AMB  15-2:387     36 ARG  HN          3.50    (#    387:15  Single Ambig)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 512, 513, 514, 516, 517, 518, 615, 616, 617, 619,
       620, 621,
 &end
#
#   33 HIS  HN           36 ARG  HN          3.50    (#    388:15  Unique         2.83, 2.92 A)
 &rst
  ixpk= 388, nxpk= 15, iat= 522, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLU  HN           36 ARG  HN          3.50    (#    389:15  Unique         2.75, 2.90 A)
 &rst
  ixpk= 389, nxpk= 15, iat= 551, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HA           36 ARG  HN          3.50    (#    391:15  Unique         2.95, 2.98 A)
 &rst
  ixpk= 391, nxpk= 15, iat= 568, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:392     36 ARG  HN          3.50    (#    392:15  Single Ambig)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 543, 544, 555, 556, 558, 559,
 &end
#
#    0 AMB  15-2:393     36 ARG  HN          3.50    (#    393:15  Single Ambig)
 &rst
  ixpk= 393, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 570, 571, 986, 987,
 &end
#
#   51 HIS  HN           50 GLY  HN          4.50    (#    394:15  Unique         2.59, 2.77 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 804, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLY  HA+          50 GLY  HN          3.50    (#    395:15  Unique         2.27, 2.61 A)
 &rst
  ixpk= 395, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#   50 GLY  HA-          50 GLY  HN          3.50    (#    396:15  Unique         2.27, 2.61 A)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#   49 VAL  HA           50 GLY  HN          2.50    (#    397:15  Unique         2.13, 2.35 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 783, 797, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   39 VAL  HB           50 GLY  HN          3.50    (#    398:15  Unique         2.32, 2.67 A)
 &rst
  ixpk= 398, nxpk= 15, iat= 629, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:399     50 GLY  HN          3.50    (#    399:15  Single Ambig)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   39 VAL  MGY          50 GLY  HN          3.50    (#    400:15  Unique         3.42, 4.83 A)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633, 635, 636, 637,
 &end
#
#   22 PHE  HA           23 SER  HN          3.50    (#    401:15  Unique         2.17, 2.36 A)
 &rst
  ixpk= 401, nxpk= 15, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLU  HA           36 ARG  HN          3.50    (#    403:15  Unique         2.81, 3.02 A)
 &rst
  ixpk= 403, nxpk= 15, iat= 553, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HB+          36 ARG  HN          3.50    (#    404:15  Unique         2.52, 3.17 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 570, 571,
 &end
#
#   10 ASP  HA           11 SER  HN          3.50    (#    406:15  Unique         2.18, 2.92 A)
 &rst
  ixpk= 406, nxpk= 15, iat= 151, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  HA           11 SER  HN          3.50    (#    407:15  Unique         2.21, 2.77 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 163, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 SER  QB           11 SER  HN          3.50    (#    408:15  Unique         2.54, 3.29 A)
 &rst
  ixpk= 408, nxpk= 15, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 165, 166,
 &end
#
#   10 ASP  QB           11 SER  HN          4.50    (#    409:15  Unique         2.58, 3.83 A)
 &rst
  ixpk= 409, nxpk= 15, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 153, 154,
 &end
#
#   84 VAL  MGX          57 ASN  HD2-        4.50    (#    411:15  Unique         1.84, 5.12 A)
 &rst
  ixpk= 411, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:412     42 GLY  HN          3.50    (#    412:15  Single Ambig)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 &end
#
#   41 PHE  HA           42 GLY  HN          2.50    (#    413:15  Unique         2.17, 2.36 A)
 &rst
  ixpk= 413, nxpk= 15, iat= 653, 671, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   42 GLY  HA-          42 GLY  HN          3.50    (#    414:15  Unique         2.27, 2.78 A)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 673, 674,
 &end
#
#   57 ASN  HB+          57 ASN  HD2-        3.50    (#    416:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   57 ASN  HB-          57 ASN  HD2-        3.50    (#    417:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   56 ILE  MG2          57 ASN  HD2-        3.50    (#    418:15  Unique         2.19, 4.08 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 882, 883, 884,
 igr2= 904, 905,
 &end
#
#   57 ASN  HB+          57 ASN  HD2+        3.50    (#    420:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   57 ASN  HB-          57 ASN  HD2+        3.50    (#    421:15  Unique         2.20, 3.25 A)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 899, 900,
 igr2= 904, 905,
 &end
#
#   84 VAL  MGX          57 ASN  HD2+        4.50    (#    422:15  Unique         1.84, 5.12 A)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2= 904, 905,
 &end
#
#   56 ILE  MG2          57 ASN  HD2+        4.50    (#    423:15  Unique         2.19, 4.08 A)
 &rst
  ixpk= 423, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 882, 883, 884,
 igr2= 904, 905,
 &end
#
#   93 LEU  HN           94 THR  HN          5.50    (#    425:15  Unique         1.97, 3.73 A)
 &rst
  ixpk= 425, nxpk= 15, iat=1450,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:427     94 THR  HN          3.50    (#    427:15  Single Ambig)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1452,1471,
 &end
#
#    0 AMB  15-2:428     94 THR  HN          4.50    (#    428:15  Single Ambig)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1473,1428,
 &end
#
#   93 LEU  QB           94 THR  HN          3.50    (#    429:15  Unique         2.05, 3.35 A)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1454,1455,
 &end
#
#   94 THR  MG2          94 THR  HN          4.50    (#    430:15  Unique         2.53, 3.80 A)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1475,1476,1477,
 &end
#
#   62 ASN  HN           63 GLY  HN          4.50    (#    432:15  Unique         3.48, 3.65 A)
 &rst
  ixpk= 432, nxpk= 15, iat= 961, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HA           63 GLY  HN          2.50    (#    433:15  Unique         2.17, 2.40 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 963, 975, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   63 GLY  HA+          63 GLY  HN          2.50    (#    434:15  Unique         2.24, 2.55 A)
 &rst
  ixpk= 434, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 977, 978,
 &end
#
#    0 AMB  15-2:435     63 GLY  HN          7.00    (#    435:15  Single Ambig)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 984,1043,
 &end
#
#   63 GLY  HA-          63 GLY  HN          3.50    (#    436:15  Unique         2.24, 2.55 A)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 977, 978,
 &end
#
#   62 ASN  HB+          63 GLY  HN          4.50    (#    437:15  Unique         4.45, 4.55 A)
 &rst
  ixpk= 437, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966,
 &end
#
#   62 ASN  HB-          63 GLY  HN          4.50    (#    438:15  Unique         4.45, 4.55 A)
 &rst
  ixpk= 438, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966,
 &end
#
#    0 AMB  15-2:439     63 GLY  HN          3.50    (#    439:15  Single Ambig)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
       956, 957,
 &end
#
#   77 GLY  HN           76 LEU  HN          3.50    (#    442:15  Unique         2.51, 2.53 A)
 &rst
  ixpk= 442, nxpk= 15, iat=1197,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 TYR  HD           76 LEU  HN          4.50    (#    443:15  Unique         3.19, 4.59 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1165,1174,
 &end
#
#   76 LEU  HA           76 LEU  HN          3.50    (#    444:15  Unique         2.89, 2.91 A)
 &rst
  ixpk= 444, nxpk= 15, iat=1180,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:445     76 LEU  HN          3.50    (#    445:15  Single Ambig)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1125,1159,
 &end
#
#   75 TYR  HB+          76 LEU  HN          3.50    (#    446:15  Unique         2.36, 3.12 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   75 TYR  HB-          76 LEU  HN          3.50    (#    447:15  Unique         2.36, 3.12 A)
 &rst
  ixpk= 447, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1161,1162,
 &end
#
#   76 LEU  HG           76 LEU  HN          3.50    (#    448:15  Unique         2.46, 2.53 A)
 &rst
  ixpk= 448, nxpk= 15, iat=1185,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 LEU  HB+          76 LEU  HN          3.50    (#    449:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1182,1183,
 &end
#
#   76 LEU  HB-          76 LEU  HN          3.50    (#    450:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1182,1183,
 &end
#
#    0 AMB  15-2:451     76 LEU  HN          3.50    (#    451:15  Single Ambig)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 &end
#
#    0 AMB  15-2:452     76 LEU  HN          3.50    (#    452:15  Single Ambig)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
      1118,1119,1113,1114,1115,1117,1118,1119,
 &end
#
#    0 AMB  15-2:453     81 ASN  HN          3.50    (#    453:15  Single Ambig)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1251,1252,1232,
 &end
#
#   82 TYR  HN           81 ASN  HN          3.50    (#    454:15  Unique         2.22, 2.45 A)
 &rst
  ixpk= 454, nxpk= 15, iat=1256,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HD2-         81 ASN  HN          4.50    (#    455:15  Unique         2.12, 4.73 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1251,1252,
 &end
#
#   81 ASN  HA           81 ASN  HN          3.50    (#    456:15  Unique         2.94, 2.97 A)
 &rst
  ixpk= 456, nxpk= 15, iat=1244,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 ALA  HA           81 ASN  HN          3.50    (#    457:15  Unique         3.41, 3.44 A)
 &rst
  ixpk= 457, nxpk= 15, iat=1234,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HB+          81 ASN  HN          3.50    (#    458:15  Unique         2.46, 3.03 A)
 &rst
  ixpk= 458, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   81 ASN  HB-          81 ASN  HN          3.50    (#    459:15  Unique         2.46, 3.03 A)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   80 ALA  MB           81 ASN  HN          3.50    (#    460:15  Unique         3.22, 3.93 A)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1236,1237,1238,
 &end
#
#   79 PRO  HA           81 ASN  HN          4.50    (#    461:15  Unique         3.16, 3.24 A)
 &rst
  ixpk= 461, nxpk= 15, iat=1228,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 TYR  HE           64 ARG  HE          3.50    (#    462:15  Unique         2.45, 3.87 A)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1016,1021,
 &end
#
#   64 ARG  QD           64 ARG  HE          2.50    (#    471:15  Unique         2.33, 2.81 A)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 992, 993,
 &end
#
#   64 ARG  HB+          64 ARG  HE          4.50    (#    472:15  Unique         2.19, 3.82 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#    0 AMB  15-2:473     64 ARG  HE          3.50    (#    473:15  Single Ambig)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 989, 990, 986, 987,
 &end
#
#    0 AMB  15-2:474     64 ARG  HE          4.50    (#    474:15  Single Ambig)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518,
 &end
#
#   32 LEU  MDX          64 ARG  HE          4.50    (#    475:15  Unique         2.38, 4.36 A)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 512, 513, 514, 516, 517, 518,
 &end
#
#    0 AMB  15-2:477      0 AMB  15-1:477    5.50    (#    477:15  Double Ambig)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1065,1066,1043,
 igr2= 970, 971, 970, 971,
 &end
#
#   62 ASN  HB+          62 ASN  HD2+        3.50    (#    478:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   62 ASN  HB-          62 ASN  HD2+        3.50    (#    479:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 479, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   62 ASN  HB-          62 ASN  HD2-        4.50    (#    480:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   62 ASN  HB+          62 ASN  HD2-        4.50    (#    482:15  Unique         2.28, 3.18 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966,
 igr2= 970, 971,
 &end
#
#   43 GLN  QG           43 GLN  HE2+        2.50    (#    485:15  Unique         2.23, 3.33 A)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 685, 686,
 igr2= 690, 691,
 &end
#
#   43 GLN  QB           43 GLN  HE2+        4.50    (#    486:15  Unique         2.36, 4.17 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 682, 683,
 igr2= 690, 691,
 &end
#
#   43 GLN  QG           43 GLN  HE2-        4.50    (#    491:15  Unique         2.23, 3.33 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 685, 686,
 igr2= 690, 691,
 &end
#
#   78 ASN  HB+          78 ASN  HD2+        3.50    (#    492:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:493      0 AMB  15-1:493    4.50    (#    493:15  Double Ambig)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1251,1252,1232,
 igr2=1213,1214,1213,1214,
 &end
#
#   78 ASN  HB-          78 ASN  HD2+        3.50    (#    495:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#   80 ALA  MB           78 ASN  HD2+        4.50    (#    496:15  Unique         2.05, 3.98 A)
 &rst
  ixpk= 496, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1236,1237,1238,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:497     78 ASN  HD2-        4.50    (#    497:15  Single Ambig)
 &rst
  ixpk= 497, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1251,1252,1232,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:499     78 ASN  HD2-        4.50    (#    499:15  Single Ambig)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1251,1252,1167,1172,
 igr2=1213,1214,
 &end
#
#   78 ASN  HB+          78 ASN  HD2-        4.50    (#    500:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#   78 ASN  HB-          78 ASN  HD2-        3.50    (#    501:15  Unique         2.22, 3.15 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1208,1209,
 igr2=1213,1214,
 &end
#
#   80 ALA  MB           78 ASN  HD2-        4.50    (#    502:15  Unique         2.05, 3.98 A)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1236,1237,1238,
 igr2=1213,1214,
 &end
#
#    0 AMB  15-2:508     66 THR  HN          4.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1006,1051,
 &end
#
#   70 LYS  HN           66 THR  HN          3.50    (#    509:15  Unique         2.87, 3.06 A)
 &rst
  ixpk= 509, nxpk= 15, iat=1070,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 TYR  HD           66 THR  HN          4.50    (#    510:15  Unique         3.91, 5.09 A)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1014,1023,
 &end
#
#   65 TYR  HA           66 THR  HN          2.50    (#    511:15  Unique         2.32, 2.39 A)
 &rst
  ixpk= 511, nxpk= 15, iat=1008,1027, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:512     66 THR  HN          3.50    (#    512:15  Single Ambig)
 &rst
  ixpk= 512, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1029,1031,1094,
 &end
#
#   65 TYR  HB+          66 THR  HN          3.50    (#    513:15  Unique         2.68, 3.35 A)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   65 TYR  HB-          66 THR  HN          3.50    (#    514:15  Unique         2.68, 3.35 A)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1011,
 &end
#
#   66 THR  MG2          66 THR  HN          2.50    (#    515:15  Unique         2.34, 3.22 A)
 &rst
  ixpk= 515, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1033,1034,1035,
 &end
#
#   67 ALA  HN           68 ASP  HN          3.50    (#    516:15  Unique         2.62, 2.66 A)
 &rst
  ixpk= 516, nxpk= 15, iat=1041,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 ASP  HA           68 ASP  HN          3.50    (#    519:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 519, nxpk= 15, iat=1053,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HB           68 ASP  HN          3.50    (#    520:15  Unique         2.57, 2.63 A)
 &rst
  ixpk= 520, nxpk= 15, iat=1031,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:521     68 ASP  HN          3.50    (#    521:15  Single Ambig)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1043,1065,1066,
 &end
#
#   68 ASP  HB+          68 ASP  HN          3.50    (#    522:15  Unique         2.40, 2.54 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   68 ASP  HB-          68 ASP  HN          3.50    (#    523:15  Unique         2.40, 2.54 A)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1055,1056,
 &end
#
#   67 ALA  MB           68 ASP  HN          2.50    (#    524:15  Unique         2.58, 3.40 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1045,1046,1047,
 &end
#
#   66 THR  MG2          68 ASP  HN          4.50    (#    525:15  Unique         4.63, 5.00 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1033,1034,1035,
 &end
#
#    2 GLY  HA-           2 GLY  HN          4.50    (#    528:15  Unique         2.28, 2.78 A)
 &rst
  ixpk= 528, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  23,  24,
 &end
#
#   34 ASP  HN           35 GLU  HN          4.50    (#    530:15  Unique         2.76, 2.90 A)
 &rst
  ixpk= 530, nxpk= 15, iat= 539, 551, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ARG  HN           35 GLU  HN          3.50    (#    531:15  Unique         2.75, 2.90 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 566, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 ASP  HA           35 GLU  HN          3.50    (#    532:15  Unique         2.56, 2.68 A)
 &rst
  ixpk= 532, nxpk= 15, iat= 541, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLU  HA           35 GLU  HN          2.50    (#    533:15  Unique         2.19, 2.23 A)
 &rst
  ixpk= 533, nxpk= 15, iat= 553, 551, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:534     35 GLU  HN          4.50    (#    534:15  Single Ambig)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 543, 544, 526, 527,
 &end
#
#    0 AMB  15-2:535     35 GLU  HN          3.50    (#    535:15  Single Ambig)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#    0 AMB  15-2:536     35 GLU  HN          3.50    (#    536:15  Single Ambig)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 558, 559, 555, 556,
 &end
#
#    0 AMB  15-2:537     35 GLU  HN          3.50    (#    537:15  Single Ambig)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 512, 513, 514, 516, 517, 518, 510,
 &end
#
#   76 LEU  HB-          77 GLY  HN          4.50    (#    538:15  Unique         2.70, 3.29 A)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1182,1183,
 &end
#
#    0 AMB  15-2:539     77 GLY  HN          4.50    (#    539:15  Single Ambig)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,1113,1114,1115,1117,1118,1119,1113,1114,
      1115,1117,1118,1119,
 &end
#
#   76 LEU  HN           77 GLY  HN          2.50    (#    540:15  Unique         2.51, 2.53 A)
 &rst
  ixpk= 540, nxpk= 15, iat=1178,1197, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   78 ASN  HN           77 GLY  HN          3.50    (#    541:15  Unique         2.69, 2.76 A)
 &rst
  ixpk= 541, nxpk= 15, iat=1204,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:542     77 GLY  HN          5.50    (#    542:15  Single Ambig)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1266,1271,1251,1252, 368, 373,
 &end
#
#   77 GLY  HA+          77 GLY  HN          3.50    (#    543:15  Unique         2.26, 2.55 A)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1199,1200,
 &end
#
#   74 GLU  HA           77 GLY  HN          3.50    (#    544:15  Unique         3.17, 3.36 A)
 &rst
  ixpk= 544, nxpk= 15, iat=1144,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 GLY  HA-          77 GLY  HN          2.50    (#    545:15  Unique         2.26, 2.55 A)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1199,1200,
 &end
#
#   76 LEU  HB+          77 GLY  HN          4.50    (#    546:15  Unique         2.70, 3.29 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1182,1183,
 &end
#
#   70 LYS  HN           69 GLY  HN          2.50    (#    550:15  Unique         2.05, 2.10 A)
 &rst
  ixpk= 550, nxpk= 15, iat=1070,1063, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:551     69 GLY  HN          3.50    (#    551:15  Single Ambig)
 &rst
  ixpk= 551, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1053,1072,
 &end
#
#    0 AMB  15-2:552     69 GLY  HN          4.50    (#    552:15  Single Ambig)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1031,1029,
 &end
#
#   69 GLY  HA+          69 GLY  HN          2.50    (#    553:15  Unique         2.43, 2.73 A)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1065,1066,
 &end
#
#   69 GLY  HA-          69 GLY  HN          3.50    (#    554:15  Unique         2.43, 2.73 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   65 TYR  HB+          69 GLY  HN          4.50    (#    555:15  Unique         3.85, 4.60 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1010,1011,
 &end
#
#    0 AMB  15-2:556     69 GLY  HN          4.50    (#    556:15  Single Ambig)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1055,1056,1010,1011,
 &end
#
#   68 ASP  HB-          69 GLY  HN          4.50    (#    557:15  Unique         2.67, 3.35 A)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1055,1056,
 &end
#
#   67 ALA  MB           69 GLY  HN          4.50    (#    558:15  Unique         4.98, 5.52 A)
 &rst
  ixpk= 558, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045,1046,1047,
 &end
#
#   41 PHE  HN           40 ALA  HN          3.50    (#    559:15  Unique         1.95, 2.25 A)
 &rst
  ixpk= 559, nxpk= 15, iat= 651, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:560     40 ALA  HN          3.50    (#    560:15  Single Ambig)
 &rst
  ixpk= 560, nxpk= 15, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 645, 646, 647, 488, 489,
 &end
#
#   57 ASN  HN           58 GLY  HN          3.50    (#    561:15  Unique         2.86, 2.95 A)
 &rst
  ixpk= 561, nxpk= 15, iat= 895, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 MET  HN           58 GLY  HN          3.50    (#    562:15  Unique         2.45, 2.65 A)
 &rst
  ixpk= 562, nxpk= 15, iat= 916, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASN  HA           58 GLY  HN          3.50    (#    563:15  Unique         2.78, 2.90 A)
 &rst
  ixpk= 563, nxpk= 15, iat= 897, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 GLY  HA+          58 GLY  HN          2.50    (#    564:15  Unique         2.29, 2.64 A)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 911, 912,
 &end
#
#   58 GLY  HA-          58 GLY  HN          3.50    (#    565:15  Unique         2.29, 2.64 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 911, 912,
 &end
#
#   55 ALA  MB           58 GLY  HN          3.50    (#    566:15  Unique         3.18, 4.21 A)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 870, 871, 872,
 &end
#
#   33 HIS  HB+          34 ASP  HN          5.50    (#    567:15  Unique         3.04, 4.04 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 526, 527,
 &end
#
#    0 AMB  15-2:568     34 ASP  HN          7.00    (#    568:15  Single Ambig)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1, 539, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
       517, 518, 510,
 &end
#
#   85 SER  HN           57 ASN  HN          4.50    (#    570:15  Unique         2.73, 3.01 A)
 &rst
  ixpk= 570, nxpk= 15, iat=1307, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HN           57 ASN  HN          5.50    (#    571:15  Unique         4.18, 4.23 A)
 &rst
  ixpk= 571, nxpk= 15, iat= 876, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 MET  HN           57 ASN  HN          5.50    (#    572:15  Unique         4.32, 4.46 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 916, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASN  HD2+         57 ASN  HN          5.50    (#    573:15  Unique         3.51, 4.65 A)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 904, 905,
 &end
#
#   58 GLY  HA+          57 ASN  HN          5.50    (#    574:15  Unique         5.17, 5.41 A)
 &rst
  ixpk= 574, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 911, 912,
 &end
#
#   58 GLY  HA-          57 ASN  HN          5.50    (#    575:15  Unique         5.17, 5.41 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 911, 912,
 &end
#
#   57 ASN  HB+          57 ASN  HN          4.50    (#    576:15  Unique         2.75, 3.57 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#   57 ASN  HB-          57 ASN  HN          4.50    (#    577:15  Unique         2.75, 3.57 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#    0 AMB  15-2:578     57 ASN  HN          5.50    (#    578:15  Single Ambig)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 886, 887, 870, 871, 872,
 &end
#
#   56 ILE  HB           57 ASN  HN          4.50    (#    579:15  Unique         3.97, 4.09 A)
 &rst
  ixpk= 579, nxpk= 15, iat= 880, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 VAL  HB           57 ASN  HN          5.50    (#    580:15  Unique         2.88, 3.49 A)
 &rst
  ixpk= 580, nxpk= 15, iat=1295, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HN           72 VAL  HN          5.50    (#    581:15  Unique         4.50, 4.54 A)
 &rst
  ixpk= 581, nxpk= 15, iat=1092,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HG+          72 VAL  HN          5.50    (#    582:15  Unique         2.74, 3.34 A)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#   64 ARG  HB-          72 VAL  HN          5.50    (#    583:15  Unique         3.62, 4.82 A)
 &rst
  ixpk= 583, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 986, 987,
 &end
#
#   67 ALA  MB           60 ASP  HN          5.50    (#    584:15  Unique         3.12, 4.58 A)
 &rst
  ixpk= 584, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1045,1046,1047,
 &end
#
#   59 MET  HB+          60 ASP  HN          5.50    (#    585:15  Unique         3.28, 4.02 A)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#   12 TYR  HE           13 ALA  HN          5.50    (#    591:15  Unique         4.05, 5.67 A)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 187,
 &end
#
#   22 PHE  HD           86 ILE  HN          5.50    (#    592:15  Unique         2.58, 5.13 A)
 &rst
  ixpk= 592, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#   21 THR  HN           86 ILE  HN          5.50    (#    593:15  Unique         4.85, 4.98 A)
 &rst
  ixpk= 593, nxpk= 15, iat= 313,1318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           86 ILE  HN          5.50    (#    595:15  Unique         5.09, 7.32 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#    0 AMB  15-2:598     86 ILE  HN          5.50    (#    598:15  Single Ambig)
 &rst
  ixpk= 598, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 319, 320, 321, 870, 871, 872,
 &end
#
#   86 ILE  MG2          86 ILE  HN          4.50    (#    600:15  Unique         4.44, 4.81 A)
 &rst
  ixpk= 600, nxpk= 15, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   31 LYS  HN           30 LEU  HN          5.50    (#    601:15  Unique         4.35, 4.42 A)
 &rst
  ixpk= 601, nxpk= 15, iat= 481, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 VAL  HA           30 LEU  HN          5.50    (#    602:15  Unique         4.84, 5.07 A)
 &rst
  ixpk= 602, nxpk= 15, iat= 627, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU  HB+          30 LEU  HN          4.50    (#    603:15  Unique         2.41, 3.74 A)
 &rst
  ixpk= 603, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 447, 448,
 &end
#
#   40 ALA  MB           30 LEU  HN          5.50    (#    604:15  Unique         3.39, 4.30 A)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 645, 646, 647,
 &end
#
#    0 AMB  15-2:605     22 PHE  HN          4.50    (#    605:15  Single Ambig)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 347,1307,
 &end
#
#   22 PHE  HD           22 PHE  HN          5.50    (#    607:15  Unique         2.93, 4.24 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#   22 PHE  HE           22 PHE  HN          7.00    (#    608:15  Unique         5.16, 6.13 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 337, 341,
 &end
#
#   85 SER  HA           22 PHE  HN          5.50    (#    609:15  Unique         3.23, 3.38 A)
 &rst
  ixpk= 609, nxpk= 15, iat=1309, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 THR  HB           22 PHE  HN          5.50    (#    610:15  Unique         2.73, 3.14 A)
 &rst
  ixpk= 610, nxpk= 15, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 PHE  HB+          22 PHE  HN          5.50    (#    611:15  Unique         2.51, 3.28 A)
 &rst
  ixpk= 611, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 331, 332,
 &end
#
#   22 PHE  HB-          22 PHE  HN          4.50    (#    612:15  Unique         2.51, 3.28 A)
 &rst
  ixpk= 612, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 331, 332,
 &end
#
#   84 VAL  MGY          22 PHE  HN          5.50    (#    613:15  Unique         2.96, 5.53 A)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   32 LEU  HN           33 HIS  HN          4.50    (#    615:15  Unique         4.32, 4.46 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:618     16 ALA  HN          7.00    (#    618:15  Single Ambig)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1398,1399, 227, 228,
 &end
#
#   68 ASP  HN           67 ALA  HN          4.50    (#    621:15  Unique         2.62, 2.66 A)
 &rst
  ixpk= 621, nxpk= 15, iat=1051,1041, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 TYR  HE           64 ARG  HN          7.00    (#    624:15  Unique         3.67, 5.64 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1016,1021,
 &end
#
#   64 ARG  HA           64 ARG  HN          3.50    (#    626:15  Unique         2.90, 2.95 A)
 &rst
  ixpk= 626, nxpk= 15, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HA+          64 ARG  HN          3.50    (#    627:15  Unique         2.20, 2.98 A)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 977, 978,
 &end
#
#   92 ARG  HD-          93 LEU  HN          5.50    (#    628:15  Unique         3.74, 5.37 A)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1436,1437,
 &end
#
#   35 GLU  HB+          64 ARG  HN          7.00    (#    629:15  Unique         3.87, 5.89 A)
 &rst
  ixpk= 629, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 555, 556,
 &end
#
#   74 GLU  HN           71 GLU  HN          5.50    (#    631:15  Unique         4.48, 4.71 A)
 &rst
  ixpk= 631, nxpk= 15, iat=1142,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           71 GLU  HN          4.50    (#    632:15  Unique         3.32, 5.76 A)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1014,1023,
 &end
#
#   65 TYR  HE           71 GLU  HN          5.50    (#    633:15  Unique         3.74, 6.63 A)
 &rst
  ixpk= 633, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1016,1021,
 &end
#
#   70 LYS  HN           71 GLU  HN          5.50    (#    634:15  Unique         4.63, 4.67 A)
 &rst
  ixpk= 634, nxpk= 15, iat=1070,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HA           71 GLU  HN          5.50    (#    635:15  Unique         4.57, 4.63 A)
 &rst
  ixpk= 635, nxpk= 15, iat=1008,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 TYR  HB-          71 GLU  HN          5.50    (#    636:15  Unique         4.23, 5.18 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1161,1162,
 &end
#
#    0 AMB  15-2:640     75 TYR  HN          4.50    (#    640:15  Single Ambig)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1197,1251,1252,
 &end
#
#    0 AMB  15-2:641     75 TYR  HN          7.00    (#    641:15  Single Ambig)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1251,1252,1167,1172,
 &end
#
#   73 LEU  HN           75 TYR  HN          5.50    (#    642:15  Unique         3.87, 4.06 A)
 &rst
  ixpk= 642, nxpk= 15, iat=1123,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 VAL  HN           75 TYR  HN          5.50    (#    643:15  Unique         4.65, 4.69 A)
 &rst
  ixpk= 643, nxpk= 15, iat=1107,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 LEU  HA           75 TYR  HN          5.50    (#    644:15  Unique         5.43, 5.47 A)
 &rst
  ixpk= 644, nxpk= 15, iat=1180,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 GLU  HG+          75 TYR  HN          5.50    (#    645:15  Unique         3.85, 4.45 A)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1149,1150,
 &end
#
#   73 LEU  HB-          75 TYR  HN          5.50    (#    646:15  Unique         4.94, 5.39 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1127,1128,
 &end
#
#   17 GLU  QG           90 ARG  HN          5.50    (#    648:15  Unique         3.45, 4.58 A)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 258, 259,
 &end
#
#   16 ALA  MB           90 ARG  HN          5.50    (#    649:15  Unique         3.07, 5.25 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 245, 246, 247,
 &end
#
#   51 HIS  HD2          90 ARG  HN          5.50    (#    654:15  Unique         2.93, 3.75 A)
 &rst
  ixpk= 654, nxpk= 15, iat= 817,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:663     37 VAL  HN          4.50    (#    663:15  Single Ambig)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 570, 571, 986, 987,
 &end
#
#   37 VAL  HB           37 VAL  HN          4.50    (#    664:15  Unique         2.40, 3.02 A)
 &rst
  ixpk= 664, nxpk= 15, iat= 594, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TYR  HE           12 TYR  HN          7.00    (#    666:15  Unique         3.80, 5.37 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 182, 187,
 &end
#
#   85 SER  HB-          85 SER  HN          4.50    (#    672:15  Unique         2.47, 3.15 A)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1311,1312,
 &end
#
#   89 GLY  HN           52 ALA  HN          4.50    (#    673:15  Unique         2.51, 2.91 A)
 &rst
  ixpk= 673, nxpk= 15, iat=1381, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HN           52 ALA  HN          5.50    (#    674:15  Unique         4.45, 4.61 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           52 ALA  HN          5.50    (#    675:15  Unique         3.71, 6.16 A)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1377,
 &end
#
#   51 HIS  HD2          52 ALA  HN          5.50    (#    676:15  Unique         3.54, 3.92 A)
 &rst
  ixpk= 676, nxpk= 15, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HA           52 ALA  HN          5.50    (#    677:15  Unique         4.44, 4.85 A)
 &rst
  ixpk= 677, nxpk= 15, iat=1363, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  HA           52 ALA  HN          4.50    (#    678:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 678, nxpk= 15, iat= 823, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HB+          52 ALA  HN          4.50    (#    679:15  Unique         2.15, 3.29 A)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#    0 AMB  15-2:684     52 ALA  HN          4.50    (#    684:15  Single Ambig)
 &rst
  ixpk= 684, nxpk= 15, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 856, 857, 858, 860, 861, 862, 631, 632, 633, 635,
       636, 637,
 &end
#
#    0 AMB  15-2:685     85 SER  HN          4.50    (#    685:15  Single Ambig)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
 &end
#
#    6 HIS  HB-           7 HIS  HN          5.50    (#    688:15  Unique         2.23, 3.60 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  83,  84,
 &end
#
#   24 TYR  HA           24 TYR  HN          4.50    (#    689:15  Unique         2.90, 2.95 A)
 &rst
  ixpk= 689, nxpk= 15, iat= 360, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR  HB-          24 TYR  HN          5.50    (#    690:15  Unique         2.01, 3.54 A)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1260,1261,
 &end
#
#   52 ALA  HN           51 HIS  HN          5.50    (#    691:15  Unique         4.45, 4.61 A)
 &rst
  ixpk= 691, nxpk= 15, iat= 821, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASP  HN           59 MET  HN          5.50    (#    693:15  Unique         4.23, 4.29 A)
 &rst
  ixpk= 693, nxpk= 15, iat= 933, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HD           51 HIS  HN          7.00    (#    694:15  Unique         4.78, 7.01 A)
 &rst
  ixpk= 694, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1369,1377,
 &end
#
#   51 HIS  HD2          51 HIS  HN          5.50    (#    695:15  Unique         4.30, 5.01 A)
 &rst
  ixpk= 695, nxpk= 15, iat= 817, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 VAL  HA           51 HIS  HN          5.50    (#    696:15  Unique         4.97, 5.44 A)
 &rst
  ixpk= 696, nxpk= 15, iat= 627, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LEU  HG           51 HIS  HN          7.00    (#    697:15  Unique         3.72, 6.10 A)
 &rst
  ixpk= 697, nxpk= 15, iat= 613, 804, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:698     51 HIS  HN          5.50    (#    698:15  Single Ambig)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 610, 611, 825, 826, 827,
 &end
#
#   90 ARG  HN           17 GLU  HN          5.50    (#    699:15  Unique         2.94, 4.68 A)
 &rst
  ixpk= 699, nxpk= 15, iat=1388, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HE           65 TYR  HN          5.50    (#    703:15  Unique         4.82, 5.59 A)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1016,1021,
 &end
#
#   66 THR  HN           65 TYR  HN          4.50    (#    704:15  Unique         4.46, 4.51 A)
 &rst
  ixpk= 704, nxpk= 15, iat=1027,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 TYR  HA           70 LYS  HN          5.50    (#    706:15  Unique         4.78, 4.89 A)
 &rst
  ixpk= 706, nxpk= 15, iat=1008,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           70 LYS  HN          5.50    (#    707:15  Unique         4.54, 6.56 A)
 &rst
  ixpk= 707, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1014,1023,
 &end
#
#    0 AMB  15-2:708     70 LYS  HN          4.50    (#    708:15  Single Ambig)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1011,1161,1162,
 &end
#
#   75 TYR  HN           74 GLU  HN          5.50    (#    709:15  Unique         2.40, 2.50 A)
 &rst
  ixpk= 709, nxpk= 15, iat=1157,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LEU  HN           74 GLU  HN          5.50    (#    710:15  Unique         2.35, 2.69 A)
 &rst
  ixpk= 710, nxpk= 15, iat=1123,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 ILE  MG2          55 ALA  HN          4.50    (#    711:15  Unique         3.78, 4.59 A)
 &rst
  ixpk= 711, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1324,1325,1326,
 &end
#
#   74 GLU  HA           74 GLU  HN          4.50    (#    712:15  Unique         2.84, 2.91 A)
 &rst
  ixpk= 712, nxpk= 15, iat=1144,1142, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 LEU  HN           78 ASN  HN          5.50    (#    714:15  Unique         4.07, 4.21 A)
 &rst
  ixpk= 714, nxpk= 15, iat=1178,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HN           31 LYS  HN          4.50    (#    715:15  Unique         3.40, 3.76 A)
 &rst
  ixpk= 715, nxpk= 15, iat= 641, 481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HA           31 LYS  HN          5.50    (#    717:15  Unique         3.85, 4.12 A)
 &rst
  ixpk= 717, nxpk= 15, iat= 627, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 VAL  HA           31 LYS  HN          5.50    (#    718:15  Unique         3.92, 4.13 A)
 &rst
  ixpk= 718, nxpk= 15, iat= 592, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PRO  HD-          78 ASN  HN          5.50    (#    720:15  Unique         4.61, 4.87 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#    0 AMB  15-2:721     78 ASN  HN          5.50    (#    721:15  Single Ambig)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1246,1247,1149,1150,1146,1147,
 &end
#
#   76 LEU  MDX          78 ASN  HN          5.50    (#    722:15  Unique         5.71, 7.51 A)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#   76 LEU  MDY          78 ASN  HN          5.50    (#    723:15  Unique         5.71, 7.51 A)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  15-2:724     78 ASN  HN          5.50    (#    724:15  Single Ambig)
 &rst
  ixpk= 724, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1182,1183,1222,1223,
 &end
#
#    0 AMB  15-2:725     78 ASN  HN          7.00    (#    725:15  Single Ambig)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1182,1183,1074,1075,
 &end
#
#   81 ASN  HD2-         80 ALA  HN          7.00    (#    727:15  Unique         4.03, 6.61 A)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1251,1252,
 &end
#
#   78 ASN  HB+          80 ALA  HN          5.50    (#    728:15  Unique         3.95, 4.49 A)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1208,1209,
 &end
#
#   78 ASN  HB-          80 ALA  HN          5.50    (#    729:15  Unique         3.95, 4.49 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1208,1209,
 &end
#
#   81 ASN  HB-          80 ALA  HN          7.00    (#    730:15  Unique         4.51, 5.12 A)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1246,1247,
 &end
#
#   57 ASN  HN           56 ILE  HN          5.50    (#    731:15  Unique         4.18, 4.23 A)
 &rst
  ixpk= 731, nxpk= 15, iat= 895, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 GLY  HN           56 ILE  HN          5.50    (#    732:15  Unique         3.35, 3.61 A)
 &rst
  ixpk= 732, nxpk= 15, iat= 909, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASP  HN           56 ILE  HN          5.50    (#    733:15  Unique         4.76, 4.86 A)
 &rst
  ixpk= 733, nxpk= 15, iat= 933, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:734     56 ILE  HN          4.50    (#    734:15  Single Ambig)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 945, 904, 905,
 &end
#
#   61 VAL  HA           56 ILE  HN          7.00    (#    736:15  Unique         5.08, 5.25 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 947, 876, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 MET  HG+          56 ILE  HN          5.50    (#    737:15  Unique         3.02, 5.37 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 924,
 &end
#
#   59 MET  HB+          56 ILE  HN          5.50    (#    738:15  Unique         3.16, 4.04 A)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#   59 MET  HB-          56 ILE  HN          4.50    (#    739:15  Unique         3.16, 4.04 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   58 GLY  HA-          56 ILE  HN          7.00    (#    741:15  Unique         4.76, 5.36 A)
 &rst
  ixpk= 741, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 911, 912,
 &end
#
#   57 ASN  HB+          56 ILE  HN          7.00    (#    742:15  Unique         5.05, 6.08 A)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 899, 900,
 &end
#
#   24 TYR  HN           82 TYR  HN          7.00    (#    743:15  Unique         5.35, 6.06 A)
 &rst
  ixpk= 743, nxpk= 15, iat= 358,1256, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   81 ASN  HB+          82 TYR  HN          4.50    (#    745:15  Unique         3.90, 4.39 A)
 &rst
  ixpk= 745, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   80 ALA  MB           82 TYR  HN          5.50    (#    747:15  Unique         5.29, 5.68 A)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1236,1237,1238,
 &end
#
#   84 VAL  MGY          82 TYR  HN          7.00    (#    748:15  Unique         4.41, 6.40 A)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   75 TYR  HN           73 LEU  HN          5.50    (#    757:15  Unique         3.87, 4.06 A)
 &rst
  ixpk= 757, nxpk= 15, iat=1157,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HA           73 LEU  HN          5.50    (#    759:15  Unique         4.13, 4.25 A)
 &rst
  ixpk= 759, nxpk= 15, iat=1094,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:760     73 LEU  HN          7.00    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 984,1144,
 &end
#
#   72 VAL  HA           73 LEU  HN          5.50    (#    761:15  Unique         3.56, 3.60 A)
 &rst
  ixpk= 761, nxpk= 15, iat=1109,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 PHE  HD           41 PHE  HN          5.50    (#    763:15  Unique         3.44, 4.95 A)
 &rst
  ixpk= 763, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 659, 667,
 &end
#
#   62 ASN  HN           61 VAL  HN          5.50    (#    764:15  Unique         4.46, 4.56 A)
 &rst
  ixpk= 764, nxpk= 15, iat= 961, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 ILE  HN           61 VAL  HN          4.50    (#    765:15  Unique         4.17, 4.42 A)
 &rst
  ixpk= 765, nxpk= 15, iat= 876, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HA           61 VAL  HN          7.00    (#    766:15  Unique         5.22, 5.45 A)
 &rst
  ixpk= 766, nxpk= 15, iat= 963, 945, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 LEU  HA           41 PHE  HN          4.50    (#    767:15  Unique         3.79, 4.00 A)
 &rst
  ixpk= 767, nxpk= 15, iat= 464, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HB           41 PHE  HN          5.50    (#    768:15  Unique         4.91, 5.17 A)
 &rst
  ixpk= 768, nxpk= 15, iat= 629, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:769     41 PHE  HN          5.50    (#    769:15  Single Ambig)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 673, 674, 783,
 &end
#
#   55 ALA  MB           61 VAL  HN          4.50    (#    770:15  Unique         3.70, 4.48 A)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 870, 871, 872,
 &end
#
#   61 VAL  HB           61 VAL  HN          4.50    (#    771:15  Unique         3.67, 3.72 A)
 &rst
  ixpk= 771, nxpk= 15, iat= 949, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:772     61 VAL  HN          4.50    (#    772:15  Single Ambig)
 &rst
  ixpk= 772, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 937, 938, 923, 924,
 &end
#
#    0 AMB  15-2:773     81 ASN  HD2-        4.50    (#    773:15  Single Ambig)
 &rst
  ixpk= 773, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1213,1214,1204,
 igr2=1251,1252,
 &end
#
#   75 TYR  HD           81 ASN  HD2-        4.50    (#    774:15  Unique         2.97, 4.10 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2=1251,1252,
 &end
#
#   78 ASN  HB-          81 ASN  HD2-        4.50    (#    775:15  Unique         2.35, 4.57 A)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1208,1209,
 igr2=1251,1252,
 &end
#
#    0 AMB  15-2:776     81 ASN  HD2-        7.00    (#    776:15  Single Ambig)
 &rst
  ixpk= 776, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1161,1162,1083,1084,
 igr2=1251,1252,
 &end
#
#   34 ASP  HN           36 ARG  HN          5.50    (#    782:15  Unique         4.23, 4.35 A)
 &rst
  ixpk= 782, nxpk= 15, iat= 539, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 LEU  HA           36 ARG  HN          5.50    (#    784:15  Unique         4.23, 4.42 A)
 &rst
  ixpk= 784, nxpk= 15, iat= 505, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:785     36 ARG  HN          5.50    (#    785:15  Single Ambig)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 541, 984,
 &end
#
#   36 ARG  HD-          36 ARG  HN          4.50    (#    786:15  Unique         3.10, 4.60 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 576, 577,
 &end
#
#    0 AMB  15-2:787     36 ARG  HN          4.50    (#    787:15  Single Ambig)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 543, 544, 526, 527,
 &end
#
#    0 AMB  15-2:791     36 ARG  HN          4.50    (#    791:15  Single Ambig)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 555, 556, 558, 559,
 &end
#
#   33 HIS  HA           36 ARG  HN          5.50    (#    792:15  Unique         4.34, 4.50 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 524, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 SER  QB           23 SER  HN          4.50    (#    793:15  Unique         2.76, 3.45 A)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 351, 352,
 &end
#
#   49 VAL  HB           50 GLY  HN          4.50    (#    794:15  Unique         2.10, 2.94 A)
 &rst
  ixpk= 794, nxpk= 15, iat= 785, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 SER  HN           57 ASN  HD2-        5.50    (#    797:15  Unique         3.94, 5.21 A)
 &rst
  ixpk= 797, nxpk= 15, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   85 SER  HN           57 ASN  HD2+        5.50    (#    798:15  Unique         3.94, 5.21 A)
 &rst
  ixpk= 798, nxpk= 15, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   75 TYR  HD           57 ASN  HD2-        5.50    (#    799:15  Unique         4.89, 6.00 A)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,
 igr2= 904, 905,
 &end
#
#   75 TYR  HD           57 ASN  HD2+        4.50    (#    800:15  Unique         4.89, 6.00 A)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1174,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:801     57 ASN  HD2-        5.50    (#    801:15  Single Ambig)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1167,1172,1251,1252,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:802      0 AMB  15-1:802    5.50    (#    802:15  Double Ambig)
 &rst
  ixpk= 802, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1167,1172,1251,1252,
 igr2= 904, 905, 904, 905,
 &end
#
#   84 VAL  HA           57 ASN  HD2-        5.50    (#    803:15  Unique         3.26, 4.98 A)
 &rst
  ixpk= 803, nxpk= 15, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   57 ASN  HA           57 ASN  HD2+        5.50    (#    805:15  Unique         3.90, 4.69 A)
 &rst
  ixpk= 805, nxpk= 15, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 904, 905,
 &end
#
#   57 ASN  HA           57 ASN  HD2-        4.50    (#    806:15  Unique         3.90, 4.69 A)
 &rst
  ixpk= 806, nxpk= 15, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 904, 905,
 &end
#
#    0 AMB  15-2:807      0 AMB  15-1:807    5.50    (#    807:15  Double Ambig)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1295, 920, 921,
 igr2= 904, 905, 904, 905,
 &end
#
#    0 AMB  15-2:808     57 ASN  HD2-        5.50    (#    808:15  Single Ambig)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1295, 920, 921,
 igr2= 904, 905,
 &end
#
#   84 VAL  MGX          57 ASN  HD2-        3.50    (#    809:15  Unique         1.84, 5.12 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2= 904, 905,
 &end
#
#   65 TYR  HN           63 GLY  HN          5.50    (#    810:15  Unique         4.21, 4.29 A)
 &rst
  ixpk= 810, nxpk= 15, iat=1006, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:811     63 GLY  HN          7.00    (#    811:15  Single Ambig)
 &rst
  ixpk= 811, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 945, 970, 971,
 &end
#
#   62 ASN  HD2-         63 GLY  HN          7.00    (#    814:15  Unique         5.70, 6.27 A)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 970, 971,
 &end
#
#   36 ARG  HA           63 GLY  HN          5.50    (#    816:15  Unique         4.57, 5.26 A)
 &rst
  ixpk= 816, nxpk= 15, iat= 568, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HD-          63 GLY  HN          5.50    (#    819:15  Unique         3.51, 5.21 A)
 &rst
  ixpk= 819, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 576, 577,
 &end
#
#    0 AMB  15-2:820     63 GLY  HN          5.50    (#    820:15  Single Ambig)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 949, 570, 571,
 &end
#
#    0 AMB  15-2:821     63 GLY  HN          7.00    (#    821:15  Single Ambig)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 570, 571, 986, 987,
 &end
#
#    0 AMB  15-2:826     81 ASN  HN          5.50    (#    826:15  Single Ambig)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1213,1214,1204,
 &end
#
#   78 ASN  HN           76 LEU  HN          5.50    (#    827:15  Unique         4.07, 4.21 A)
 &rst
  ixpk= 827, nxpk= 15, iat=1204,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:828     76 LEU  HN          5.50    (#    828:15  Single Ambig)
 &rst
  ixpk= 828, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1251,1252, 368, 373,1167,1172,
 &end
#
#   78 ASN  HA           81 ASN  HN          5.50    (#    830:15  Unique         4.71, 4.81 A)
 &rst
  ixpk= 830, nxpk= 15, iat=1206,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASN  HB+          81 ASN  HN          4.50    (#    831:15  Unique         3.60, 4.44 A)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#   82 TYR  HB-          81 ASN  HN          7.00    (#    832:15  Unique         4.26, 5.09 A)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1260,1261,
 &end
#
#   78 ASN  HB-          81 ASN  HN          4.50    (#    833:15  Unique         3.60, 4.44 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#   79 PRO  HG+          81 ASN  HN          7.00    (#    835:15  Unique         5.09, 5.73 A)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1222,1223,
 &end
#
#   84 VAL  MGY          81 ASN  HN          7.00    (#    836:15  Unique         5.25, 7.24 A)
 &rst
  ixpk= 836, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   79 PRO  HB+          81 ASN  HN          5.50    (#    838:15  Unique         4.95, 5.15 A)
 &rst
  ixpk= 838, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1225,1226,
 &end
#
#    0 AMB  15-2:839     76 LEU  HN          7.00    (#    839:15  Single Ambig)
 &rst
  ixpk= 839, nxpk= 15, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1127,1128, 880,
 &end
#
#    0 AMB  15-2:842     64 ARG  HE          7.00    (#    842:15  Single Ambig)
 &rst
  ixpk= 842, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 982, 551,
 &end
#
#   64 ARG  HA           64 ARG  HE          7.00    (#    850:15  Unique         4.39, 5.48 A)
 &rst
  ixpk= 850, nxpk= 15, iat= 984, 995, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 GLU  HA           64 ARG  HE          5.50    (#    851:15  Unique         3.01, 4.67 A)
 &rst
  ixpk= 851, nxpk= 15, iat= 553, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HG+          64 ARG  HE          5.50    (#    852:15  Unique         2.80, 5.18 A)
 &rst
  ixpk= 852, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#    0 AMB  15-2:853     64 ARG  HE          5.50    (#    853:15  Single Ambig)
 &rst
  ixpk= 853, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 555, 556,1096,1097, 558, 559,
 &end
#
#    0 AMB  15-2:854     64 ARG  HE          5.50    (#    854:15  Single Ambig)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,1096,1097,
 &end
#
#   62 ASN  HA           62 ASN  HD2+        5.50    (#    856:15  Unique         4.53, 4.68 A)
 &rst
  ixpk= 856, nxpk= 15, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#   62 ASN  HA           62 ASN  HD2-        5.50    (#    857:15  Unique         4.53, 4.68 A)
 &rst
  ixpk= 857, nxpk= 15, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#    0 AMB  15-2:858     62 ASN  HD2-        5.50    (#    858:15  Single Ambig)
 &rst
  ixpk= 858, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1065,1066,1043,
 igr2= 970, 971,
 &end
#
#   66 THR  HA           62 ASN  HD2+        7.00    (#    859:15  Unique         6.71, 7.71 A)
 &rst
  ixpk= 859, nxpk= 15, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 970, 971,
 &end
#
#   66 THR  HA           62 ASN  HD2-        7.00    (#    860:15  Unique         6.71, 7.71 A)
 &rst
  ixpk= 860, nxpk= 15, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 970, 971,
 &end
#
#   65 TYR  HB+          62 ASN  HD2+        5.50    (#    862:15  Unique         2.76, 4.51 A)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1011,
 igr2= 970, 971,
 &end
#
#   62 ASN  HN           62 ASN  HD2+        5.50    (#    867:15  Unique         4.68, 5.29 A)
 &rst
  ixpk= 867, nxpk= 15, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#   63 GLY  HN           62 ASN  HD2+        7.00    (#    868:15  Unique         5.70, 6.27 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 970, 971,
 &end
#
#   43 GLN  QB           43 GLN  HE2-        5.50    (#    869:15  Unique         2.36, 4.17 A)
 &rst
  ixpk= 869, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 682, 683,
 igr2= 690, 691,
 &end
#
#    0 AMB  15-2:870     43 GLN  HE2-        5.50    (#    870:15  Single Ambig)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 690, 691,
 &end
#
#    0 AMB  15-2:871      0 AMB  15-1:871    5.50    (#    871:15  Double Ambig)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
       792, 793,
 igr2= 690, 691, 690, 691,
 &end
#
#   66 THR  HN           68 ASP  HN          5.50    (#    877:15  Unique         4.79, 4.83 A)
 &rst
  ixpk= 877, nxpk= 15, iat=1027,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 GLY  HA-          68 ASP  HN          5.50    (#    878:15  Unique         4.77, 5.04 A)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1065,1066,
 &end
#
#   59 MET  HB-          68 ASP  HN          5.50    (#    880:15  Unique         3.39, 4.62 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-2:885     66 THR  HN          4.50    (#    885:15  Single Ambig)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1107, 961,
 &end
#
#    0 AMB  15-2:887     66 THR  HN          5.50    (#    887:15  Single Ambig)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1165,1174,1016,1021,
 &end
#
#   70 LYS  HA           66 THR  HN          5.50    (#    889:15  Unique         4.50, 4.56 A)
 &rst
  ixpk= 889, nxpk= 15, iat=1072,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL  HA           66 THR  HN          5.50    (#    891:15  Unique         4.98, 5.12 A)
 &rst
  ixpk= 891, nxpk= 15, iat= 947,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 GLY  HA-          66 THR  HN          5.50    (#    892:15  Unique         3.55, 4.28 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1065,1066,
 &end
#
#   72 VAL  HA           66 THR  HN          7.00    (#    893:15  Unique         4.39, 4.53 A)
 &rst
  ixpk= 893, nxpk= 15, iat=1109,1027, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:895     66 THR  HN          4.50    (#    895:15  Single Ambig)
 &rst
  ixpk= 895, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1074,1075, 949,
 &end
#
#    0 AMB  15-2:896     66 THR  HN          5.50    (#    896:15  Single Ambig)
 &rst
  ixpk= 896, nxpk= 15, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1077,1078, 880,
 &end
#
#   33 HIS  HN           35 GLU  HN          5.50    (#    902:15  Unique         3.96, 4.18 A)
 &rst
  ixpk= 902, nxpk= 15, iat= 522, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 HIS  HA           35 GLU  HN          5.50    (#    903:15  Unique         3.57, 3.79 A)
 &rst
  ixpk= 903, nxpk= 15, iat= 524, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HA           35 GLU  HN          7.00    (#    905:15  Unique         5.45, 5.50 A)
 &rst
  ixpk= 905, nxpk= 15, iat= 568, 551, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 ARG  HB+          35 GLU  HN          7.00    (#    906:15  Unique         4.98, 5.90 A)
 &rst
  ixpk= 906, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-2:907     35 GLU  HN          7.00    (#    907:15  Single Ambig)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 986, 987, 570, 571, 507, 508,
 &end
#
#    0 AMB  15-2:909     77 GLY  HN          4.50    (#    909:15  Single Ambig)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
      1137,1138,
 &end
#
#   78 ASN  HB-          77 GLY  HN          7.00    (#    910:15  Unique         4.82, 4.99 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1208,1209,
 &end
#
#   75 TYR  HB-          77 GLY  HN          5.50    (#    911:15  Unique         4.66, 5.22 A)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1161,1162,
 &end
#
#    0 AMB  15-2:912     77 GLY  HN          5.50    (#    912:15  Single Ambig)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,1149,1150,
 &end
#
#    0 AMB  15-2:913     77 GLY  HN          4.50    (#    913:15  Single Ambig)
 &rst
  ixpk= 913, nxpk= 15, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1208,1209,1109,
 &end
#
#   78 ASN  HA           77 GLY  HN          7.00    (#    914:15  Unique         5.25, 5.35 A)
 &rst
  ixpk= 914, nxpk= 15, iat=1206,1197, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   66 THR  HN           69 GLY  HN          4.50    (#    919:15  Unique         3.19, 3.23 A)
 &rst
  ixpk= 919, nxpk= 15, iat=1027,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HN           69 GLY  HN          5.50    (#    920:15  Unique         4.07, 4.09 A)
 &rst
  ixpk= 920, nxpk= 15, iat=1041,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           69 GLY  HN          7.00    (#    921:15  Unique         5.40, 6.67 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1014,1023,
 &end
#
#   65 TYR  HA           69 GLY  HN          5.50    (#    923:15  Unique         5.09, 5.24 A)
 &rst
  ixpk= 923, nxpk= 15, iat=1008,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  MG2          69 GLY  HN          4.50    (#    925:15  Unique         4.42, 4.80 A)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1033,1034,1035,
 &end
#
#    0 AMB  15-2:926     69 GLY  HN          7.00    (#    926:15  Single Ambig)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1074,1075, 920, 921,
 &end
#
#   30 LEU  HN           40 ALA  HN          5.50    (#    933:15  Unique         3.78, 4.05 A)
 &rst
  ixpk= 933, nxpk= 15, iat= 462, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HA           40 ALA  HN          5.50    (#    934:15  Unique         1.88, 2.12 A)
 &rst
  ixpk= 934, nxpk= 15, iat= 464, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ALA  HA           40 ALA  HN          4.50    (#    935:15  Unique         2.88, 2.95 A)
 &rst
  ixpk= 935, nxpk= 15, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 VAL  HA           40 ALA  HN          3.50    (#    936:15  Unique         2.10, 2.15 A)
 &rst
  ixpk= 936, nxpk= 15, iat= 627, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:937     40 ALA  HN          5.50    (#    937:15  Single Ambig)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 491, 492, 447, 448, 466, 467,
 &end
#
#    0 AMB  15-2:938     40 ALA  HN          3.50    (#    938:15  Single Ambig)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 471, 472, 473, 475, 476, 477, 469,
 &end
#
#   56 ILE  HN           58 GLY  HN          5.50    (#    941:15  Unique         3.35, 3.61 A)
 &rst
  ixpk= 941, nxpk= 15, iat= 876, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 SER  HN           58 GLY  HN          7.00    (#    942:15  Unique         5.04, 5.37 A)
 &rst
  ixpk= 942, nxpk= 15, iat=1307, 909, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85 SER  HB+          58 GLY  HN          5.50    (#    944:15  Unique         3.39, 4.59 A)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1311,1312,
 &end
#
#   57 ASN  HB+          58 GLY  HN          4.50    (#    945:15  Unique         4.21, 4.49 A)
 &rst
  ixpk= 945, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#   85 SER  HB-          58 GLY  HN          5.50    (#    946:15  Unique         3.39, 4.59 A)
 &rst
  ixpk= 946, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1311,1312,
 &end
#
#   59 MET  HB+          58 GLY  HN          5.50    (#    947:15  Unique         4.62, 5.55 A)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-2:948     58 GLY  HN          7.00    (#    948:15  Single Ambig)
 &rst
  ixpk= 948, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 920, 921,1295,
 &end
#
#   59 MET  HG+          58 GLY  HN          7.00    (#    949:15  Unique         4.39, 5.56 A)
 &rst
  ixpk= 949, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 923, 924,
 &end
#
#   57 ASN  HB-          58 GLY  HN          5.50    (#    950:15  Unique         4.21, 4.49 A)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#   56 ILE  MG2          58 GLY  HN          4.50    (#    952:15  Unique         4.92, 5.65 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 882, 883, 884,
 &end
#
#   56 ILE  HB           58 GLY  HN          5.50    (#    953:15  Unique         4.93, 5.16 A)
 &rst
  ixpk= 953, nxpk= 15, iat= 880, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 PHE  HA           54 LEU  HN          4.50    (#    954:15  Unique         2.38, 2.56 A)
 &rst
  ixpk= 954, nxpk= 15, iat=1363, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LEU  HA           54 LEU  HN          4.50    (#    955:15  Unique         2.98, 2.99 A)
 &rst
  ixpk= 955, nxpk= 15, iat= 849, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 VAL  HB           54 LEU  HN          5.50    (#    956:15  Unique         2.85, 3.96 A)
 &rst
  ixpk= 956, nxpk= 15, iat= 835, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 TYR  HD           72 VAL  HN          5.50    (#    957:15  Unique         3.93, 5.35 A)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1014,1023,
 &end
#
#   66 THR  HN           72 VAL  HN          5.50    (#    958:15  Unique         4.05, 4.17 A)
 &rst
  ixpk= 958, nxpk= 15, iat=1027,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HA           39 VAL  HN          5.50    (#    959:15  Unique         4.34, 4.67 A)
 &rst
  ixpk= 959, nxpk= 15, iat= 783, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLY  HA-          39 VAL  HN          5.50    (#    960:15  Unique         3.75, 4.85 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 799, 800,
 &end
#
#   82 TYR  HD           24 TYR  HN          5.50    (#    961:15  Unique         3.03, 4.17 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1264,1273,
 &end
#
#    0 AMB  15-2:968     55 ALA  HN          5.50    (#    968:15  Single Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 849, 878,
 &end
#
#   53 VAL  HA           55 ALA  HN          5.50    (#    969:15  Unique         3.87, 3.98 A)
 &rst
  ixpk= 969, nxpk= 15, iat= 833, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 ASN  QB           96 ASN  HD2+        5.50    (#    970:15  Unique         2.26, 3.43 A)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1498,1499,
 igr2=1503,1504,
 &end
#
#   78 ASN  HA           78 ASN  HD2-        5.50    (#    971:15  Unique         4.41, 4.64 A)
 &rst
  ixpk= 971, nxpk= 15, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1213,1214,
 &end
#
#   36 ARG  HA           37 VAL  HN          5.50    (#    972:15  Unique         2.21, 2.41 A)
 &rst
  ixpk= 972, nxpk= 15, iat= 568, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 SER  HA           85 SER  HN          5.50    (#    974:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 974, nxpk= 15, iat=1309,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:976     59 MET  HN          5.50    (#    976:15  Single Ambig)
 &rst
  ixpk= 976, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 882, 883, 884, 951, 952, 953, 955, 956, 957, 951,
       952, 953, 955, 956, 957, 886, 887,
 &end
#
#   74 GLU  HA           78 ASN  HN          5.50    (#    977:15  Unique         3.87, 4.12 A)
 &rst
  ixpk= 977, nxpk= 15, iat=1144,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLY  HA+          65 TYR  HN          5.50    (#    978:15  Unique         3.67, 4.39 A)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 977, 978,
 &end
#
#   81 ASN  HB-          81 ASN  HD2-        4.50    (#    980:15  Unique         2.16, 3.24 A)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1251,1252,
 &end
#
#   76 LEU  HG           77 GLY  HN          5.50    (#    981:15  Unique         4.51, 4.59 A)
 &rst
  ixpk= 981, nxpk= 15, iat=1185,1197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 LYS  HB-          70 LYS  HN          3.50    (#    982:15  Unique         2.26, 3.03 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1074,1075,
 &end
#
#    0 AMB  15-2:983      0 AMB  15-1:983    3.50    (#    983:15  Double Ambig)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1295, 221, 222, 210, 211,
 igr2=1307, 217,
 &end
#
#   74 GLU  HB+          75 TYR  HN          3.50    (#    984:15  Unique         2.57, 3.23 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1146,1147,
 &end
#
#   32 LEU  MDX          36 ARG  HN          4.50    (#    985:15  Unique         2.45, 5.03 A)
 &rst
  ixpk= 985, nxpk= 15, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 512, 513, 514, 516, 517, 518,
 &end
#
#   90 ARG  QG           90 ARG  HN          3.50    (#    986:15  Unique         1.99, 3.24 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#   77 GLY  HN           74 GLU  HN          5.50    (#    994:15  Unique         4.40, 4.51 A)
 &rst
  ixpk= 994, nxpk= 15, iat=1197,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
index0000744000372100000240000000022410643060577010705 0ustar  fenggamesstandard_anneal  The input file of Amber/sander
prm1.pdb  The PDB used to generate the atom numbers in restraints file
all.rst   The restraints fileprm1.pdb0000744000372100000240000024203010452206574011221 0ustar  fenggamesREMARK                                                              
ATOM      1  N   MET     1       1.329   0.000   0.000
ATOM      2  H1  MET     1       1.793  -0.589   0.683
ATOM      3  H2  MET     1       1.266   0.947   0.358
ATOM      4  H3  MET     1       0.396  -0.357  -0.177
ATOM      5  CA  MET     1       2.093  -0.001  -1.242
ATOM      6  HA  MET     1       2.162  -1.007  -1.598
ATOM      7  CB  MET     1       1.383   0.844  -2.303
ATOM      8 2HB  MET     1       1.055   1.758  -1.846
ATOM      9 3HB  MET     1       2.084   1.066  -3.085
ATOM     10  CG  MET     1       0.177   0.156  -2.920
ATOM     11 2HG  MET     1       0.194  -0.881  -2.643
ATOM     12 3HG  MET     1      -0.714   0.614  -2.535
ATOM     13  SD  MET     1       0.155   0.273  -4.719
ATOM     14  CE  MET     1      -0.790   1.777  -4.949
ATOM     15 1HE  MET     1      -1.789   1.654  -4.504
ATOM     16 2HE  MET     1      -0.270   2.615  -4.460
ATOM     17 3HE  MET     1      -0.891   1.986  -6.025
ATOM     18  C   MET     1       3.504   0.531  -1.013
ATOM     19  O   MET     1       3.687   1.652  -0.542
ATOM     20  N   GLY     2       4.500  -0.284  -1.349
ATOM     21  H   GLY     2       4.293  -1.196  -1.731
ATOM     22  CA  GLY     2       5.882   0.123  -1.172
ATOM     23 2HA  GLY     2       5.967   1.166  -1.409
ATOM     24 3HA  GLY     2       6.159  -0.035  -0.147
ATOM     25  C   GLY     2       6.834  -0.656  -2.059
ATOM     26  O   GLY     2       6.420  -1.566  -2.778
ATOM     27  N   HIS     3       8.113  -0.298  -2.010
ATOM     28  H   HIS     3       8.390   0.457  -1.399
ATOM     29  CA  HIS     3       9.126  -0.969  -2.816
ATOM     30  HA  HIS     3       9.007  -2.026  -2.701
ATOM     31  CB  HIS     3       8.947  -0.617  -4.293
ATOM     32 2HB  HIS     3       8.291   0.230  -4.363
ATOM     33 3HB  HIS     3       9.906  -0.361  -4.700
ATOM     34  CG  HIS     3       8.369  -1.733  -5.109
ATOM     35  ND1 HIS     3       8.963  -2.973  -5.216
ATOM     36  HD1 HIS     3       9.825  -3.248  -4.767
ATOM     37  CE1 HIS     3       8.228  -3.744  -5.997
ATOM     38  HE1 HIS     3       8.449  -4.771  -6.263
ATOM     39  NE2 HIS     3       7.178  -3.051  -6.399
ATOM     40  CD2 HIS     3       7.243  -1.791  -5.857
ATOM     41  HD2 HIS     3       6.526  -0.991  -6.002
ATOM     42  C   HIS     3      10.529  -0.585  -2.356
ATOM     43  O   HIS     3      10.925   0.578  -2.442
ATOM     44  N   HIS     4      11.276  -1.569  -1.866
ATOM     45  H   HIS     4      10.894  -2.503  -1.821
ATOM     46  CA  HIS     4      12.635  -1.333  -1.391
ATOM     47  HA  HIS     4      12.624  -0.492  -0.729
ATOM     48  CB  HIS     4      13.147  -2.551  -0.622
ATOM     49 2HB  HIS     4      14.145  -2.346  -0.287
ATOM     50 3HB  HIS     4      12.510  -2.708   0.227
ATOM     51  CG  HIS     4      13.170  -3.808  -1.436
ATOM     52  ND1 HIS     4      14.058  -4.019  -2.470
ATOM     53  HD1 HIS     4      14.764  -3.365  -2.775
ATOM     54  CE1 HIS     4      13.841  -5.210  -2.999
ATOM     55  HE1 HIS     4      14.387  -5.645  -3.828
ATOM     56  NE2 HIS     4      12.845  -5.780  -2.344
ATOM     57  CD2 HIS     4      12.409  -4.925  -1.363
ATOM     58  HD2 HIS     4      11.605  -5.110  -0.660
ATOM     59  C   HIS     4      13.571  -1.022  -2.556
ATOM     60  O   HIS     4      13.176  -1.095  -3.720
ATOM     61  N   HIS     5      14.813  -0.674  -2.234
ATOM     62  H   HIS     5      15.076  -0.632  -1.260
ATOM     63  CA  HIS     5      15.804  -0.351  -3.253
ATOM     64  HA  HIS     5      15.544  -0.864  -4.155
ATOM     65  CB  HIS     5      15.810   1.152  -3.532
ATOM     66 2HB  HIS     5      14.852   1.552  -3.259
ATOM     67 3HB  HIS     5      16.572   1.606  -2.928
ATOM     68  CG  HIS     5      16.075   1.495  -4.966
ATOM     69  ND1 HIS     5      16.996   2.443  -5.355
ATOM     70  HD1 HIS     5      17.571   2.989  -4.730
ATOM     71  CE1 HIS     5      17.010   2.526  -6.674
ATOM     72  HE1 HIS     5      17.636   3.188  -7.262
ATOM     73  NE2 HIS     5      16.131   1.665  -7.154
ATOM     74  CD2 HIS     5      15.533   1.008  -6.107
ATOM     75  HD2 HIS     5      14.769   0.242  -6.180
ATOM     76  C   HIS     5      17.195  -0.805  -2.821
ATOM     77  O   HIS     5      17.465  -0.965  -1.630
ATOM     78  N   HIS     6      18.075  -1.012  -3.796
ATOM     79  H   HIS     6      17.792  -0.864  -4.754
ATOM     80  CA  HIS     6      19.438  -1.448  -3.516
ATOM     81  HA  HIS     6      19.830  -0.850  -2.720
ATOM     82  CB  HIS     6      19.447  -2.912  -3.074
ATOM     83 2HB  HIS     6      20.411  -3.136  -2.660
ATOM     84 3HB  HIS     6      18.695  -3.043  -2.320
ATOM     85  CG  HIS     6      19.174  -3.876  -4.188
ATOM     86  ND1 HIS     6      20.114  -4.767  -4.660
ATOM     87  HD1 HIS     6      21.058  -4.859  -4.313
ATOM     88  CE1 HIS     6      19.587  -5.482  -5.638
ATOM     89  HE1 HIS     6      20.093  -6.260  -6.198
ATOM     90  NE2 HIS     6      18.339  -5.088  -5.817
ATOM     91  CD2 HIS     6      18.056  -4.085  -4.922
ATOM     92  HD2 HIS     6      17.113  -3.559  -4.822
ATOM     93  C   HIS     6      20.329  -1.269  -4.742
ATOM     94  O   HIS     6      19.916  -1.550  -5.868
ATOM     95  N   HIS     7      21.551  -0.799  -4.516
ATOM     96  H   HIS     7      21.830  -0.587  -3.569
ATOM     97  CA  HIS     7      22.500  -0.582  -5.603
ATOM     98  HA  HIS     7      22.213  -1.194  -6.433
ATOM     99  CB  HIS     7      22.474   0.881  -6.046
ATOM    100 2HB  HIS     7      23.302   1.050  -6.707
ATOM    101 3HB  HIS     7      21.556   1.060  -6.571
ATOM    102  CG  HIS     7      22.568   1.853  -4.910
ATOM    103  ND1 HIS     7      21.527   2.676  -4.536
ATOM    104  HD1 HIS     7      20.619   2.707  -4.978
ATOM    105  CE1 HIS     7      21.902   3.418  -3.509
ATOM    106  HE1 HIS     7      21.291   4.158  -3.004
ATOM    107  NE2 HIS     7      23.148   3.105  -3.202
ATOM    108  CD2 HIS     7      23.586   2.129  -4.062
ATOM    109  HD2 HIS     7      24.566   1.665  -4.062
ATOM    110  C   HIS     7      23.912  -0.972  -5.177
ATOM    111  O   HIS     7      24.234  -0.977  -3.988
ATOM    112  N   HIS     8      24.751  -1.299  -6.155
ATOM    113  H   HIS     8      24.426  -1.275  -7.111
ATOM    114  CA  HIS     8      26.129  -1.691  -5.881
ATOM    115  HA  HIS     8      26.564  -0.969  -5.221
ATOM    116  CB  HIS     8      26.166  -3.058  -5.198
ATOM    117 2HB  HIS     8      25.167  -3.318  -4.904
ATOM    118 3HB  HIS     8      26.530  -3.780  -5.903
ATOM    119  CG  HIS     8      27.043  -3.097  -3.984
ATOM    120  ND1 HIS     8      28.379  -3.435  -4.031
ATOM    121  HD1 HIS     8      28.889  -3.684  -4.866
ATOM    122  CE1 HIS     8      28.887  -3.383  -2.813
ATOM    123  HE1 HIS     8      29.915  -3.600  -2.545
ATOM    124  NE2 HIS     8      27.930  -3.022  -1.977
ATOM    125  CD2 HIS     8      26.768  -2.837  -2.685
ATOM    126  HD2 HIS     8      25.809  -2.538  -2.279
ATOM    127  C   HIS     8      26.949  -1.729  -7.167
ATOM    128  O   HIS     8      26.402  -1.636  -8.267
ATOM    129  N   LEU     9      28.262  -1.865  -7.022
ATOM    130  H   LEU     9      28.650  -1.936  -6.092
ATOM    131  CA  LEU     9      29.158  -1.914  -8.172
ATOM    132  HA  LEU     9      28.567  -1.928  -9.064
ATOM    133  CB  LEU     9      30.053  -0.674  -8.201
ATOM    134 2HB  LEU     9      30.890  -0.888  -8.838
ATOM    135 3HB  LEU     9      29.482   0.133  -8.619
ATOM    136  CG  LEU     9      30.600  -0.210  -6.850
ATOM    137  HG  LEU     9      29.788  -0.169  -6.154
ATOM    138  CD1 LEU     9      31.632  -1.196  -6.325
ATOM    139 1HD1 LEU     9      31.165  -2.185  -6.201
ATOM    140 2HD1 LEU     9      32.465  -1.271  -7.041
ATOM    141 3HD1 LEU     9      32.013  -0.845  -5.354
ATOM    142  CD2 LEU     9      31.201   1.183  -6.968
ATOM    143 1HD2 LEU     9      32.023   1.167  -7.700
ATOM    144 2HD2 LEU     9      30.426   1.890  -7.302
ATOM    145 3HD2 LEU     9      31.589   1.500  -5.987
ATOM    146  C   LEU     9      30.017  -3.174  -8.140
ATOM    147  O   LEU     9      30.082  -3.867  -7.124
ATOM    148  N   ASP    10      30.676  -3.464  -9.256
ATOM    149  H   ASP    10      30.581  -2.855 -10.056
ATOM    150  CA  ASP    10      31.534  -4.639  -9.355
ATOM    151  HA  ASP    10      31.719  -5.009  -8.368
ATOM    152  CB  ASP    10      30.841  -5.736 -10.164
ATOM    153 2HB  ASP    10      31.580  -6.440 -10.493
ATOM    154 3HB  ASP    10      30.130  -6.233  -9.532
ATOM    155  CG  ASP    10      30.115  -5.190 -11.377
ATOM    156  OD1 ASP    10      28.971  -5.625 -11.630
ATOM    157  OD2 ASP    10      30.689  -4.328 -12.074
ATOM    158  C   ASP    10      32.871  -4.283  -9.998
ATOM    159  O   ASP    10      33.121  -4.614 -11.157
ATOM    160  N   SER    11      33.726  -3.606  -9.238
ATOM    161  H   SER    11      33.462  -3.367  -8.293
ATOM    162  CA  SER    11      35.035  -3.200  -9.735
ATOM    163  HA  SER    11      34.988  -3.130 -10.802
ATOM    164  CB  SER    11      35.415  -1.829  -9.174
ATOM    165 2HB  SER    11      34.798  -1.080  -9.632
ATOM    166 3HB  SER    11      35.252  -1.827  -8.113
ATOM    167  OG  SER    11      36.775  -1.530  -9.434
ATOM    168  HG  SER    11      36.988  -0.666  -9.073
ATOM    169  C   SER    11      36.100  -4.227  -9.362
ATOM    170  O   SER    11      36.323  -4.507  -8.184
ATOM    171  N   TYR    12      36.754  -4.786 -10.375
ATOM    172  H   TYR    12      36.525  -4.513 -11.320
ATOM    173  CA  TYR    12      37.793  -5.784 -10.155
ATOM    174  HA  TYR    12      38.396  -5.470  -9.329
ATOM    175  CB  TYR    12      37.167  -7.137  -9.814
ATOM    176 2HB  TYR    12      36.644  -7.043  -8.882
ATOM    177 3HB  TYR    12      36.472  -7.394 -10.590
ATOM    178  CG  TYR    12      38.175  -8.257  -9.686
ATOM    179  CD1 TYR    12      38.129  -9.359 -10.531
ATOM    180  HD1 TYR    12      37.359  -9.415 -11.292
ATOM    181  CE1 TYR    12      39.047 -10.385 -10.418
ATOM    182  HE1 TYR    12      38.996 -11.238 -11.085
ATOM    183  CZ  TYR    12      40.029 -10.317  -9.452
ATOM    184  OH  TYR    12      40.947 -11.336  -9.336
ATOM    185  HH  TYR    12      41.557 -11.137  -8.622
ATOM    186  CE2 TYR    12      40.096  -9.234  -8.601
ATOM    187  HE2 TYR    12      40.868  -9.184  -7.842
ATOM    188  CD2 TYR    12      39.173  -8.213  -8.721
ATOM    189  HD2 TYR    12      39.229  -7.363  -8.051
ATOM    190  C   TYR    12      38.686  -5.920 -11.384
ATOM    191  O   TYR    12      38.386  -6.684 -12.302
ATOM    192  N   ALA    13      39.786  -5.174 -11.394
ATOM    193  H   ALA    13      39.976  -4.565 -10.611
ATOM    194  CA  ALA    13      40.725  -5.213 -12.508
ATOM    195  HA  ALA    13      40.602  -6.145 -13.019
ATOM    196  CB  ALA    13      40.429  -4.087 -13.487
ATOM    197 1HB  ALA    13      39.405  -4.198 -13.876
ATOM    198 2HB  ALA    13      40.523  -3.119 -12.972
ATOM    199 3HB  ALA    13      41.145  -4.129 -14.322
ATOM    200  C   ALA    13      42.166  -5.122 -12.015
ATOM    201  O   ALA    13      42.863  -4.133 -12.240
ATOM    202  N   PRO    14      42.624  -6.177 -11.326
ATOM    203  CD  PRO    14      41.847  -7.391 -11.020
ATOM    204 2HD  PRO    14      41.382  -7.782 -11.904
ATOM    205 3HD  PRO    14      41.096  -7.190 -10.280
ATOM    206  CG  PRO    14      42.884  -8.343 -10.491
ATOM    207 2HG  PRO    14      43.274  -8.948 -11.286
ATOM    208 3HG  PRO    14      42.459  -8.976  -9.736
ATOM    209  CB  PRO    14      43.962  -7.495  -9.909
ATOM    210 2HB  PRO    14      44.906  -8.003  -9.950
ATOM    211 3HB  PRO    14      43.736  -7.241  -8.891
ATOM    212  CA  PRO    14      43.985  -6.240 -10.786
ATOM    213  HA  PRO    14      44.185  -5.376 -10.188
ATOM    214  C   PRO    14      45.037  -6.376 -11.882
ATOM    215  O   PRO    14      44.725  -6.283 -13.069
ATOM    216  N   ARG    15      46.283  -6.596 -11.476
ATOM    217  H   ARG    15      46.474  -6.663 -10.487
ATOM    218  CA  ARG    15      47.381  -6.743 -12.424
ATOM    219  HA  ARG    15      46.984  -6.690 -13.416
ATOM    220  CB  ARG    15      48.394  -5.612 -12.244
ATOM    221 2HB  ARG    15      49.135  -5.694 -13.016
ATOM    222 3HB  ARG    15      47.878  -4.676 -12.342
ATOM    223  CG  ARG    15      49.099  -5.634 -10.897
ATOM    224 2HG  ARG    15      48.784  -6.503 -10.353
ATOM    225 3HG  ARG    15      50.159  -5.679 -11.059
ATOM    226  CD  ARG    15      48.776  -4.394 -10.078
ATOM    227 2HD  ARG    15      49.081  -3.526 -10.630
ATOM    228 3HD  ARG    15      47.717  -4.357  -9.909
ATOM    229  NE  ARG    15      49.459  -4.396  -8.788
ATOM    230  HE  ARG    15      50.069  -5.172  -8.572
ATOM    231  CZ  ARG    15      49.323  -3.434  -7.882
ATOM    232  NH1 ARG    15      48.532  -2.398  -8.125
ATOM    233 1HH1 ARG    15      48.031  -2.339  -9.000
ATOM    234 2HH1 ARG    15      48.430  -1.668  -7.435
ATOM    235  NH2 ARG    15      49.979  -3.508  -6.731
ATOM    236 1HH2 ARG    15      50.582  -4.296  -6.543
ATOM    237 2HH2 ARG    15      49.875  -2.776  -6.043
ATOM    238  C   ARG    15      48.073  -8.092 -12.249
ATOM    239  O   ARG    15      47.643  -8.922 -11.448
ATOM    240  N   ALA    16      49.145  -8.304 -13.004
ATOM    241  H   ALA    16      49.447  -7.583 -13.644
ATOM    242  CA  ALA    16      49.897  -9.550 -12.932
ATOM    243  HA  ALA    16      50.710  -9.493 -13.626
ATOM    244  CB  ALA    16      50.472  -9.740 -11.536
ATOM    245 1HB  ALA    16      51.144  -8.901 -11.298
ATOM    246 2HB  ALA    16      49.652  -9.773 -10.802
ATOM    247 3HB  ALA    16      51.037 -10.684 -11.497
ATOM    248  C   ALA    16      49.024 -10.741 -13.313
ATOM    249  O   ALA    16      47.806 -10.613 -13.439
ATOM    250  N   GLU    17      49.654 -11.897 -13.496
ATOM    251  H   GLU    17      50.656 -11.936 -13.377
ATOM    252  CA  GLU    17      48.933 -13.110 -13.864
ATOM    253  HA  GLU    17      49.640 -13.904 -13.982
ATOM    254  CB  GLU    17      47.945 -13.497 -12.761
ATOM    255 2HB  GLU    17      47.108 -12.828 -12.806
ATOM    256 3HB  GLU    17      47.611 -14.500 -12.942
ATOM    257  CG  GLU    17      48.537 -13.433 -11.364
ATOM    258 2HG  GLU    17      49.557 -13.763 -11.408
ATOM    259 3HG  GLU    17      48.504 -12.416 -11.023
ATOM    260  CD  GLU    17      47.788 -14.302 -10.372
ATOM    261  OE1 GLU    17      47.160 -13.742  -9.450
ATOM    262  OE2 GLU    17      47.830 -15.541 -10.518
ATOM    263  C   GLU    17      48.190 -12.921 -15.184
ATOM    264  O   GLU    17      47.090 -12.371 -15.216
ATOM    265  N   ALA    18      48.802 -13.382 -16.271
ATOM    266  H   ALA    18      49.706 -13.823 -16.178
ATOM    267  CA  ALA    18      48.199 -13.266 -17.593
ATOM    268  HA  ALA    18      47.743 -12.301 -17.672
ATOM    269  CB  ALA    18      49.267 -13.380 -18.671
ATOM    270 1HB  ALA    18      50.007 -12.575 -18.541
ATOM    271 2HB  ALA    18      49.769 -14.357 -18.589
ATOM    272 3HB  ALA    18      48.798 -13.291 -19.663
ATOM    273  C   ALA    18      47.121 -14.325 -17.800
ATOM    274  O   ALA    18      45.949 -14.000 -17.989
ATOM    275  N   GLU    19      47.526 -15.590 -17.762
ATOM    276  H   GLU    19      48.503 -15.790 -17.601
ATOM    277  CA  GLU    19      46.593 -16.696 -17.947
ATOM    278  HA  GLU    19      47.128 -17.616 -17.835
ATOM    279  CB  GLU    19      45.489 -16.643 -16.889
ATOM    280 2HB  GLU    19      44.802 -15.863 -17.154
ATOM    281 3HB  GLU    19      44.976 -17.585 -16.887
ATOM    282  CG  GLU    19      46.004 -16.373 -15.485
ATOM    283 2HG  GLU    19      46.626 -17.193 -15.184
ATOM    284 3HG  GLU    19      46.584 -15.471 -15.499
ATOM    285  CD  GLU    19      44.886 -16.215 -14.474
ATOM    286  OE1 GLU    19      44.338 -15.097 -14.366
ATOM    287  OE2 GLU    19      44.558 -17.207 -13.791
ATOM    288  C   GLU    19      45.977 -16.660 -19.343
ATOM    289  O   GLU    19      45.112 -15.833 -19.631
ATOM    290  N   LYS    20      46.430 -17.562 -20.207
ATOM    291  H   LYS    20      47.143 -18.213 -19.910
ATOM    292  CA  LYS    20      45.924 -17.636 -21.572
ATOM    293  HA  LYS    20      44.886 -17.375 -21.566
ATOM    294  CB  LYS    20      46.671 -16.645 -22.469
ATOM    295 2HB  LYS    20      47.580 -16.359 -21.976
ATOM    296 3HB  LYS    20      46.905 -17.135 -23.395
ATOM    297  CG  LYS    20      45.877 -15.388 -22.778
ATOM    298 2HG  LYS    20      44.846 -15.652 -22.914
ATOM    299 3HG  LYS    20      45.966 -14.708 -21.953
ATOM    300  CD  LYS    20      46.382 -14.705 -24.038
ATOM    301 2HD  LYS    20      46.580 -13.673 -23.820
ATOM    302 3HD  LYS    20      47.288 -15.184 -24.355
ATOM    303  CE  LYS    20      45.361 -14.785 -25.163
ATOM    304 2HE  LYS    20      44.384 -14.602 -24.759
ATOM    305 3HE  LYS    20      45.591 -14.035 -25.895
ATOM    306  NZ  LYS    20      45.367 -16.120 -25.823
ATOM    307 1HZ  LYS    20      46.285 -16.300 -26.214
ATOM    308 2HZ  LYS    20      45.144 -16.836 -25.140
ATOM    309 3HZ  LYS    20      44.676 -16.134 -26.565
ATOM    310  C   LYS    20      46.067 -19.049 -22.129
ATOM    311  O   LYS    20      46.995 -19.777 -21.775
ATOM    312  N   THR    21      45.142 -19.431 -23.005
ATOM    313  H   THR    21      44.405 -18.787 -23.256
ATOM    314  CA  THR    21      45.166 -20.756 -23.611
ATOM    315  HA  THR    21      45.643 -21.430 -22.931
ATOM    316  CB  THR    21      43.741 -21.272 -23.888
ATOM    317  HB  THR    21      43.257 -20.599 -24.565
ATOM    318  CG2 THR    21      43.779 -22.657 -24.518
ATOM    319 1HG2 THR    21      44.331 -22.612 -25.470
ATOM    320 2HG2 THR    21      44.283 -23.358 -23.834
ATOM    321 3HG2 THR    21      42.751 -23.003 -24.706
ATOM    322  OG1 THR    21      42.991 -21.318 -22.669
ATOM    323 1HG  THR    21      42.105 -21.640 -22.850
ATOM    324  C   THR    21      45.954 -20.751 -24.916
ATOM    325  O   THR    21      45.792 -19.857 -25.747
ATOM    326  N   PHE    22      46.808 -21.753 -25.090
ATOM    327  H   PHE    22      46.895 -22.456 -24.370
ATOM    328  CA  PHE    22      47.623 -21.863 -26.294
ATOM    329  HA  PHE    22      47.291 -21.129 -26.998
ATOM    330  CB  PHE    22      49.094 -21.595 -25.967
ATOM    331 2HB  PHE    22      49.413 -22.305 -25.228
ATOM    332 3HB  PHE    22      49.671 -21.727 -26.862
ATOM    333  CG  PHE    22      49.347 -20.213 -25.438
ATOM    334  CD1 PHE    22      49.914 -19.240 -26.246
ATOM    335  HD1 PHE    22      50.176 -19.481 -27.270
ATOM    336  CE1 PHE    22      50.149 -17.967 -25.763
ATOM    337  HE1 PHE    22      50.592 -17.215 -26.406
ATOM    338  CZ  PHE    22      49.818 -17.654 -24.459
ATOM    339  HZ  PHE    22      50.002 -16.657 -24.077
ATOM    340  CE2 PHE    22      49.252 -18.614 -23.643
ATOM    341  HE2 PHE    22      48.990 -18.370 -22.620
ATOM    342  CD2 PHE    22      49.020 -19.886 -24.132
ATOM    343  HD2 PHE    22      48.577 -20.636 -23.486
ATOM    344  C   PHE    22      47.475 -23.244 -26.927
ATOM    345  O   PHE    22      46.851 -24.137 -26.354
ATOM    346  N   SER    23      48.052 -23.410 -28.113
ATOM    347  H   SER    23      48.552 -22.638 -28.530
ATOM    348  CA  SER    23      47.981 -24.680 -28.827
ATOM    349  HA  SER    23      48.141 -25.474 -28.127
ATOM    350  CB  SER    23      46.598 -24.857 -29.458
ATOM    351 2HB  SER    23      46.378 -24.001 -30.066
ATOM    352 3HB  SER    23      46.602 -25.738 -30.070
ATOM    353  OG  SER    23      45.597 -24.989 -28.464
ATOM    354  HG  SER    23      44.741 -25.098 -28.885
ATOM    355  C   SER    23      49.058 -24.758 -29.904
ATOM    356  O   SER    23      49.129 -23.907 -30.790
ATOM    357  N   TYR    24      49.895 -25.786 -29.820
ATOM    358  H   TYR    24      49.783 -26.452 -29.069
ATOM    359  CA  TYR    24      50.971 -25.977 -30.785
ATOM    360  HA  TYR    24      51.607 -25.117 -30.759
ATOM    361  CB  TYR    24      51.802 -27.207 -30.418
ATOM    362 2HB  TYR    24      51.220 -27.826 -29.762
ATOM    363 3HB  TYR    24      52.022 -27.748 -31.318
ATOM    364  CG  TYR    24      53.107 -26.874 -29.729
ATOM    365  CD1 TYR    24      53.127 -26.104 -28.573
ATOM    366  HD1 TYR    24      52.194 -25.738 -28.160
ATOM    367  CE1 TYR    24      54.316 -25.796 -27.940
ATOM    368  HE1 TYR    24      54.314 -25.193 -27.039
ATOM    369  CZ  TYR    24      55.505 -26.260 -28.462
ATOM    370  OH  TYR    24      56.693 -25.956 -27.835
ATOM    371  HH  TYR    24      57.421 -26.351 -28.320
ATOM    372  CE2 TYR    24      55.512 -27.026 -29.609
ATOM    373  HE2 TYR    24      56.448 -27.389 -30.017
ATOM    374  CD2 TYR    24      54.318 -27.327 -30.235
ATOM    375  HD2 TYR    24      54.327 -27.928 -31.137
ATOM    376  C   TYR    24      50.416 -26.127 -32.198
ATOM    377  O   TYR    24      49.239 -26.426 -32.401
ATOM    378  N   PRO    25      51.283 -25.916 -33.199
ATOM    379  CD  PRO    25      50.961 -26.008 -34.633
ATOM    380 2HD  PRO    25      50.081 -25.440 -34.866
ATOM    381 3HD  PRO    25      50.816 -27.029 -34.929
ATOM    382  CG  PRO    25      52.173 -25.421 -35.301
ATOM    383 2HG  PRO    25      52.034 -24.370 -35.469
ATOM    384 3HG  PRO    25      52.357 -25.912 -36.237
ATOM    385  CB  PRO    25      53.309 -25.649 -34.365
ATOM    386 2HB  PRO    25      54.062 -24.895 -34.493
ATOM    387 3HB  PRO    25      53.742 -26.618 -34.524
ATOM    388  CA  PRO    25      52.686 -25.559 -32.969
ATOM    389  HA  PRO    25      53.145 -26.270 -32.314
ATOM    390  C   PRO    25      52.841 -24.150 -32.407
ATOM    391  O   PRO    25      52.165 -23.218 -32.843
ATOM    392  N   LEU    26      53.737 -24.001 -31.436
ATOM    393  H   LEU    26      54.261 -24.805 -31.122
ATOM    394  CA  LEU    26      53.981 -22.705 -30.814
ATOM    395  HA  LEU    26      53.090 -22.396 -30.309
ATOM    396  CB  LEU    26      55.110 -22.814 -29.788
ATOM    397 2HB  LEU    26      55.137 -23.828 -29.437
ATOM    398 3HB  LEU    26      56.031 -22.584 -30.288
ATOM    399  CG  LEU    26      55.000 -21.900 -28.568
ATOM    400  HG  LEU    26      54.058 -21.394 -28.610
ATOM    401  CD1 LEU    26      55.050 -22.714 -27.284
ATOM    402 1HD1 LEU    26      54.213 -23.430 -27.270
ATOM    403 2HD1 LEU    26      56.003 -23.263 -27.234
ATOM    404 3HD1 LEU    26      54.969 -22.039 -26.418
ATOM    405  CD2 LEU    26      56.106 -20.855 -28.583
ATOM    406 1HD2 LEU    26      57.086 -21.357 -28.566
ATOM    407 2HD2 LEU    26      56.022 -20.245 -29.496
ATOM    408 3HD2 LEU    26      56.011 -20.207 -27.698
ATOM    409  C   LEU    26      54.333 -21.655 -31.863
ATOM    410  O   LEU    26      54.471 -21.967 -33.046
ATOM    411  N   ASP    27      54.477 -20.410 -31.422
ATOM    412  H   ASP    27      54.348 -20.218 -30.439
ATOM    413  CA  ASP    27      54.816 -19.314 -32.322
ATOM    414  HA  ASP    27      55.490 -19.682 -33.067
ATOM    415  CB  ASP    27      53.559 -18.791 -33.019
ATOM    416 2HB  ASP    27      52.763 -19.494 -32.866
ATOM    417 3HB  ASP    27      53.291 -17.847 -32.584
ATOM    418  CG  ASP    27      53.761 -18.600 -34.510
ATOM    419  OD1 ASP    27      54.137 -19.578 -35.188
ATOM    420  OD2 ASP    27      53.542 -17.471 -34.997
ATOM    421  C   ASP    27      55.501 -18.181 -31.565
ATOM    422  O   ASP    27      56.472 -17.595 -32.046
ATOM    423  N   LEU    28      54.989 -17.875 -30.377
ATOM    424  H   LEU    28      54.191 -18.393 -30.037
ATOM    425  CA  LEU    28      55.550 -16.811 -29.553
ATOM    426  HA  LEU    28      55.410 -15.879 -30.059
ATOM    427  CB  LEU    28      54.828 -16.747 -28.206
ATOM    428 2HB  LEU    28      53.891 -17.259 -28.311
ATOM    429 3HB  LEU    28      55.435 -17.258 -27.484
ATOM    430  CG  LEU    28      54.538 -15.346 -27.666
ATOM    431  HG  LEU    28      55.466 -14.823 -27.569
ATOM    432  CD1 LEU    28      53.652 -14.574 -28.631
ATOM    433 1HD1 LEU    28      54.160 -14.484 -29.603
ATOM    434 2HD1 LEU    28      52.699 -15.110 -28.763
ATOM    435 3HD1 LEU    28      53.455 -13.570 -28.225
ATOM    436  CD2 LEU    28      53.888 -15.429 -26.292
ATOM    437 1HD2 LEU    28      52.942 -15.987 -26.367
ATOM    438 2HD2 LEU    28      54.566 -15.948 -25.596
ATOM    439 3HD2 LEU    28      53.687 -14.413 -25.919
ATOM    440  C   LEU    28      57.044 -17.024 -29.332
ATOM    441  O   LEU    28      57.599 -18.054 -29.717
ATOM    442  N   LEU    29      57.690 -16.045 -28.708
ATOM    443  H   LEU    29      57.178 -15.224 -28.417
ATOM    444  CA  LEU    29      59.121 -16.126 -28.433
ATOM    445  HA  LEU    29      59.540 -16.907 -29.033
ATOM    446  CB  LEU    29      59.806 -14.809 -28.800
ATOM    447 2HB  LEU    29      59.181 -14.007 -28.456
ATOM    448 3HB  LEU    29      60.747 -14.774 -28.286
ATOM    449  CG  LEU    29      60.077 -14.585 -30.289
ATOM    450  HG  LEU    29      59.760 -15.456 -30.824
ATOM    451  CD1 LEU    29      59.285 -13.393 -30.802
ATOM    452 1HD1 LEU    29      58.209 -13.578 -30.659
ATOM    453 2HD1 LEU    29      59.579 -12.490 -30.245
ATOM    454 3HD1 LEU    29      59.493 -13.248 -31.873
ATOM    455  CD2 LEU    29      61.565 -14.386 -30.536
ATOM    456 1HD2 LEU    29      61.916 -13.508 -29.973
ATOM    457 2HD2 LEU    29      62.115 -15.280 -30.203
ATOM    458 3HD2 LEU    29      61.740 -14.227 -31.611
ATOM    459  C   LEU    29      59.375 -16.453 -26.965
ATOM    460  O   LEU    29      58.871 -15.773 -26.070
ATOM    461  N   LEU    30      60.162 -17.496 -26.724
ATOM    462  H   LEU    30      60.545 -18.014 -27.502
ATOM    463  CA  LEU    30      60.486 -17.912 -25.364
ATOM    464  HA  LEU    30      60.377 -17.069 -24.715
ATOM    465  CB  LEU    30      59.525 -19.009 -24.903
ATOM    466 2HB  LEU    30      59.006 -19.376 -25.768
ATOM    467 3HB  LEU    30      60.110 -19.800 -24.475
ATOM    468  CG  LEU    30      58.477 -18.591 -23.870
ATOM    469  HG  LEU    30      58.926 -17.888 -23.199
ATOM    470  CD1 LEU    30      57.295 -17.917 -24.551
ATOM    471 1HD1 LEU    30      57.643 -17.022 -25.089
ATOM    472 2HD1 LEU    30      56.834 -18.618 -25.264
ATOM    473 3HD1 LEU    30      56.553 -17.624 -23.792
ATOM    474  CD2 LEU    30      58.014 -19.796 -23.064
ATOM    475 1HD2 LEU    30      57.571 -20.542 -23.741
ATOM    476 2HD2 LEU    30      58.875 -20.240 -22.541
ATOM    477 3HD2 LEU    30      57.261 -19.477 -22.327
ATOM    478  C   LEU    30      61.925 -18.411 -25.276
ATOM    479  O   LEU    30      62.490 -18.888 -26.260
ATOM    480  N   LYS    31      62.512 -18.300 -24.089
ATOM    481  H   LYS    31      61.995 -17.899 -23.320
ATOM    482  CA  LYS    31      63.884 -18.742 -23.869
ATOM    483  HA  LYS    31      64.110 -19.514 -24.575
ATOM    484  CB  LYS    31      64.857 -17.582 -24.087
ATOM    485 2HB  LYS    31      65.853 -17.978 -24.127
ATOM    486 3HB  LYS    31      64.621 -17.112 -25.022
ATOM    487  CG  LYS    31      64.803 -16.529 -22.994
ATOM    488 2HG  LYS    31      65.019 -15.570 -23.423
ATOM    489 3HG  LYS    31      63.817 -16.517 -22.570
ATOM    490  CD  LYS    31      65.810 -16.815 -21.893
ATOM    491 2HD  LYS    31      65.303 -17.277 -21.068
ATOM    492 3HD  LYS    31      66.560 -17.483 -22.271
ATOM    493  CE  LYS    31      66.483 -15.540 -21.408
ATOM    494 2HE  LYS    31      65.962 -14.696 -21.817
ATOM    495 3HE  LYS    31      66.433 -15.507 -20.337
ATOM    496  NZ  LYS    31      67.910 -15.473 -21.825
ATOM    497 1HZ  LYS    31      68.413 -16.264 -21.438
ATOM    498 2HZ  LYS    31      67.968 -15.498 -22.837
ATOM    499 3HZ  LYS    31      68.322 -14.612 -21.484
ATOM    500  C   LYS    31      64.055 -19.306 -22.462
ATOM    501  O   LYS    31      63.513 -18.766 -21.497
ATOM    502  N   LEU    32      64.812 -20.392 -22.353
ATOM    503  H   LEU    32      65.229 -20.787 -23.184
ATOM    504  CA  LEU    32      65.056 -21.028 -21.063
ATOM    505  HA  LEU    32      64.252 -20.778 -20.402
ATOM    506  CB  LEU    32      65.100 -22.548 -21.222
ATOM    507 2HB  LEU    32      64.304 -22.832 -21.883
ATOM    508 3HB  LEU    32      66.043 -22.804 -21.666
ATOM    509  CG  LEU    32      64.952 -23.362 -19.936
ATOM    510  HG  LEU    32      64.469 -22.750 -19.203
ATOM    511  CD1 LEU    32      64.090 -24.591 -20.178
ATOM    512 1HD1 LEU    32      63.091 -24.277 -20.519
ATOM    513 2HD1 LEU    32      64.559 -25.222 -20.948
ATOM    514 3HD1 LEU    32      63.995 -25.163 -19.242
ATOM    515  CD2 LEU    32      66.318 -23.764 -19.399
ATOM    516 1HD2 LEU    32      66.842 -24.375 -20.150
ATOM    517 2HD2 LEU    32      66.908 -22.860 -19.184
ATOM    518 3HD2 LEU    32      66.191 -24.348 -18.474
ATOM    519  C   LEU    32      66.362 -20.531 -20.450
ATOM    520  O   LEU    32      67.396 -20.489 -21.116
ATOM    521  N   HIS    33      66.306 -20.159 -19.175
ATOM    522  H   HIS    33      65.426 -20.218 -18.683
ATOM    523  CA  HIS    33      67.485 -19.668 -18.470
ATOM    524  HA  HIS    33      68.357 -20.027 -18.975
ATOM    525  CB  HIS    33      67.512 -18.139 -18.479
ATOM    526 2HB  HIS    33      67.252 -17.801 -19.463
ATOM    527 3HB  HIS    33      66.785 -17.783 -17.775
ATOM    528  CG  HIS    33      68.845 -17.561 -18.117
ATOM    529  ND1 HIS    33      70.038 -18.071 -18.583
ATOM    530  HD1 HIS    33      70.132 -18.865 -19.200
ATOM    531  CE1 HIS    33      71.039 -17.358 -18.097
ATOM    532  HE1 HIS    33      72.092 -17.528 -18.291
ATOM    533  NE2 HIS    33      70.538 -16.403 -17.334
ATOM    534  CD2 HIS    33      69.169 -16.508 -17.330
ATOM    535  HD2 HIS    33      68.477 -15.867 -16.796
ATOM    536  C   HIS    33      67.512 -20.180 -17.033
ATOM    537  O   HIS    33      66.548 -20.012 -16.286
ATOM    538  N   ASP    34      68.620 -20.806 -16.654
ATOM    539  H   ASP    34      69.376 -20.913 -17.315
ATOM    540  CA  ASP    34      68.773 -21.343 -15.307
ATOM    541  HA  ASP    34      69.667 -21.929 -15.274
ATOM    542  CB  ASP    34      68.899 -20.205 -14.293
ATOM    543 2HB  ASP    34      69.524 -19.439 -14.710
ATOM    544 3HB  ASP    34      67.922 -19.804 -14.102
ATOM    545  CG  ASP    34      69.502 -20.664 -12.980
ATOM    546  OD1 ASP    34      69.630 -19.828 -12.060
ATOM    547  OD2 ASP    34      69.846 -21.860 -12.871
ATOM    548  C   ASP    34      67.592 -22.237 -14.941
ATOM    549  O   ASP    34      67.011 -22.104 -13.865
ATOM    550  N   GLU    35      67.243 -23.147 -15.846
ATOM    551  H   GLU    35      67.761 -23.206 -16.711
ATOM    552  CA  GLU    35      66.130 -24.062 -15.619
ATOM    553  HA  GLU    35      66.014 -24.679 -16.486
ATOM    554  CB  GLU    35      66.418 -24.962 -14.415
ATOM    555 2HB  GLU    35      66.343 -24.370 -13.523
ATOM    556 3HB  GLU    35      65.681 -25.741 -14.390
ATOM    557  CG  GLU    35      67.795 -25.604 -14.451
ATOM    558 2HG  GLU    35      67.906 -26.127 -15.381
ATOM    559 3HG  GLU    35      68.536 -24.831 -14.384
ATOM    560  CD  GLU    35      68.011 -26.584 -13.314
ATOM    561  OE1 GLU    35      67.574 -26.285 -12.183
ATOM    562  OE2 GLU    35      68.618 -27.648 -13.555
ATOM    563  C   GLU    35      64.832 -23.293 -15.393
ATOM    564  O   GLU    35      63.907 -23.790 -14.749
ATOM    565  N   ARG    36      64.770 -22.077 -15.927
ATOM    566  H   ARG    36      65.563 -21.726 -16.445
ATOM    567  CA  ARG    36      63.586 -21.238 -15.783
ATOM    568  HA  ARG    36      62.772 -21.851 -15.456
ATOM    569  CB  ARG    36      63.830 -20.152 -14.734
ATOM    570 2HB  ARG    36      64.831 -20.258 -14.362
ATOM    571 3HB  ARG    36      63.724 -19.194 -15.206
ATOM    572  CG  ARG    36      62.871 -20.216 -13.557
ATOM    573 2HG  ARG    36      62.852 -19.260 -13.070
ATOM    574 3HG  ARG    36      61.889 -20.452 -13.920
ATOM    575  CD  ARG    36      63.294 -21.275 -12.551
ATOM    576 2HD  ARG    36      62.607 -21.263 -11.726
ATOM    577 3HD  ARG    36      63.265 -22.236 -13.027
ATOM    578  NE  ARG    36      64.644 -21.041 -12.044
ATOM    579  HE  ARG    36      65.380 -21.668 -12.338
ATOM    580  CZ  ARG    36      64.956 -20.049 -11.218
ATOM    581  NH1 ARG    36      64.020 -19.205 -10.806
ATOM    582 1HH1 ARG    36      63.067 -19.315 -11.121
ATOM    583 2HH1 ARG    36      64.260 -18.452 -10.177
ATOM    584  NH2 ARG    36      66.207 -19.901 -10.800
ATOM    585 1HH2 ARG    36      66.923 -20.542 -11.111
ATOM    586 2HH2 ARG    36      66.443 -19.147 -10.171
ATOM    587  C   ARG    36      63.208 -20.598 -17.116
ATOM    588  O   ARG    36      63.933 -19.752 -17.638
ATOM    589  N   VAL    37      62.068 -21.010 -17.661
ATOM    590  H   VAL    37      61.518 -21.709 -17.183
ATOM    591  CA  VAL    37      61.593 -20.477 -18.932
ATOM    592  HA  VAL    37      62.408 -20.479 -19.625
ATOM    593  CB  VAL    37      60.458 -21.340 -19.514
ATOM    594  HB  VAL    37      60.054 -20.834 -20.366
ATOM    595  CG1 VAL    37      60.993 -22.689 -19.970
ATOM    596 1HG1 VAL    37      61.759 -22.537 -20.746
ATOM    597 2HG1 VAL    37      61.439 -23.216 -19.112
ATOM    598 3HG1 VAL    37      60.168 -23.291 -20.382
ATOM    599  CG2 VAL    37      59.345 -21.517 -18.491
ATOM    600 1HG2 VAL    37      59.747 -22.012 -17.594
ATOM    601 2HG2 VAL    37      58.940 -20.531 -18.216
ATOM    602 3HG2 VAL    37      58.544 -22.136 -18.924
ATOM    603  C   VAL    37      61.097 -19.043 -18.776
ATOM    604  O   VAL    37      60.162 -18.777 -18.020
ATOM    605  N   LEU    38      61.729 -18.123 -19.496
ATOM    606  H   LEU    38      62.489 -18.405 -20.098
ATOM    607  CA  LEU    38      61.352 -16.715 -19.439
ATOM    608  HA  LEU    38      60.489 -16.619 -18.814
ATOM    609  CB  LEU    38      62.487 -15.887 -18.833
ATOM    610 2HB  LEU    38      63.239 -15.758 -19.588
ATOM    611 3HB  LEU    38      62.086 -14.930 -18.561
ATOM    612  CG  LEU    38      63.163 -16.479 -17.596
ATOM    613  HG  LEU    38      63.349 -17.517 -17.778
ATOM    614  CD1 LEU    38      64.494 -15.792 -17.335
ATOM    615 1HD1 LEU    38      65.155 -15.931 -18.204
ATOM    616 2HD1 LEU    38      64.326 -14.717 -17.170
ATOM    617 3HD1 LEU    38      64.965 -16.231 -16.442
ATOM    618  CD2 LEU    38      62.252 -16.360 -16.383
ATOM    619 1HD2 LEU    38      62.028 -15.299 -16.195
ATOM    620 2HD2 LEU    38      61.314 -16.905 -16.573
ATOM    621 3HD2 LEU    38      62.754 -16.791 -15.503
ATOM    622  C   LEU    38      61.007 -16.187 -20.828
ATOM    623  O   LEU    38      61.211 -16.869 -21.832
ATOM    624  N   VAL    39      60.486 -14.965 -20.878
ATOM    625  H   VAL    39      60.343 -14.455 -20.018
ATOM    626  CA  VAL    39      60.116 -14.343 -22.144
ATOM    627  HA  VAL    39      59.855 -15.116 -22.837
ATOM    628  CB  VAL    39      58.902 -13.409 -21.977
ATOM    629  HB  VAL    39      59.162 -12.643 -21.276
ATOM    630  CG1 VAL    39      58.553 -12.746 -23.300
ATOM    631 1HG1 VAL    39      59.413 -12.155 -23.652
ATOM    632 2HG1 VAL    39      58.309 -13.519 -24.045
ATOM    633 3HG1 VAL    39      57.685 -12.084 -23.161
ATOM    634  CG2 VAL    39      57.711 -14.177 -21.425
ATOM    635 1HG2 VAL    39      57.445 -14.989 -22.119
ATOM    636 2HG2 VAL    39      57.972 -14.603 -20.444
ATOM    637 3HG2 VAL    39      56.854 -13.495 -21.313
ATOM    638  C   VAL    39      61.279 -13.548 -22.726
ATOM    639  O   VAL    39      61.666 -12.511 -22.188
ATOM    640  N   ALA    40      61.832 -14.040 -23.830
ATOM    641  H   ALA    40      61.469 -14.896 -24.223
ATOM    642  CA  ALA    40      62.949 -13.375 -24.487
ATOM    643  HA  ALA    40      63.664 -13.101 -23.740
ATOM    644  CB  ALA    40      63.623 -14.321 -25.470
ATOM    645 1HB  ALA    40      63.998 -15.205 -24.931
ATOM    646 2HB  ALA    40      62.895 -14.638 -26.232
ATOM    647 3HB  ALA    40      64.464 -13.805 -25.958
ATOM    648  C   ALA    40      62.491 -12.107 -25.200
ATOM    649  O   ALA    40      63.277 -11.183 -25.412
ATOM    650  N   PHE    41      61.214 -12.069 -25.567
ATOM    651  H   PHE    41      60.619 -12.859 -25.362
ATOM    652  CA  PHE    41      60.651 -10.915 -26.258
ATOM    653  HA  PHE    41      60.889 -10.034 -25.699
ATOM    654  CB  PHE    41      61.260 -10.783 -27.656
ATOM    655 2HB  PHE    41      62.329 -10.814 -27.565
ATOM    656 3HB  PHE    41      60.927 -11.612 -28.251
ATOM    657  CG  PHE    41      60.880  -9.511 -28.358
ATOM    658  CD1 PHE    41      59.873  -9.505 -29.311
ATOM    659  HD1 PHE    41      59.357 -10.427 -29.551
ATOM    660  CE1 PHE    41      59.520  -8.336 -29.959
ATOM    661  HE1 PHE    41      58.730  -8.344 -30.702
ATOM    662  CZ  PHE    41      60.175  -7.157 -29.659
ATOM    663  HZ  PHE    41      59.902  -6.239 -30.167
ATOM    664  CE2 PHE    41      61.179  -7.150 -28.710
ATOM    665  HE2 PHE    41      61.693  -6.226 -28.471
ATOM    666  CD2 PHE    41      61.528  -8.322 -28.066
ATOM    667  HD2 PHE    41      62.318  -8.311 -27.324
ATOM    668  C   PHE    41      59.133 -11.029 -26.361
ATOM    669  O   PHE    41      58.576 -12.124 -26.291
ATOM    670  N   GLY    42      58.469  -9.889 -26.528
ATOM    671  H   GLY    42      58.977  -9.018 -26.580
ATOM    672  CA  GLY    42      57.022  -9.883 -26.637
ATOM    673 2HA  GLY    42      56.722 -10.688 -27.280
ATOM    674 3HA  GLY    42      56.602 -10.030 -25.661
ATOM    675  C   GLY    42      56.490  -8.582 -27.204
ATOM    676  O   GLY    42      55.530  -8.581 -27.975
ATOM    677  N   GLN    43      57.113  -7.472 -26.821
ATOM    678  H   GLN    43      57.896  -7.540 -26.186
ATOM    679  CA  GLN    43      56.693  -6.159 -27.296
ATOM    680  HA  GLN    43      55.982  -6.294 -28.085
ATOM    681  CB  GLN    43      56.023  -5.375 -26.166
ATOM    682 2HB  GLN    43      56.106  -5.946 -25.261
ATOM    683 3HB  GLN    43      56.539  -4.442 -26.048
ATOM    684  CG  GLN    43      54.553  -5.083 -26.416
ATOM    685 2HG  GLN    43      54.453  -4.058 -26.717
ATOM    686 3HG  GLN    43      54.205  -5.723 -27.204
ATOM    687  CD  GLN    43      53.695  -5.314 -25.188
ATOM    688  OE1 GLN    43      52.940  -4.435 -24.770
ATOM    689  NE2 GLN    43      53.805  -6.500 -24.603
ATOM    690 1HE2 GLN    43      53.257  -6.710 -23.781
ATOM    691 2HE2 GLN    43      54.437  -7.192 -24.980
ATOM    692  C   GLN    43      57.880  -5.373 -27.842
ATOM    693  O   GLN    43      59.028  -5.629 -27.478
ATOM    694  N   ARG    44      57.596  -4.415 -28.718
ATOM    695  H   ARG    44      56.633  -4.253 -28.976
ATOM    696  CA  ARG    44      58.641  -3.592 -29.316
ATOM    697  HA  ARG    44      59.406  -4.236 -29.696
ATOM    698  CB  ARG    44      58.073  -2.773 -30.477
ATOM    699 2HB  ARG    44      57.371  -3.384 -31.011
ATOM    700 3HB  ARG    44      57.567  -1.917 -30.073
ATOM    701  CG  ARG    44      59.131  -2.289 -31.455
ATOM    702 2HG  ARG    44      58.910  -1.277 -31.735
ATOM    703 3HG  ARG    44      60.091  -2.326 -30.977
ATOM    704  CD  ARG    44      59.169  -3.151 -32.707
ATOM    705 2HD  ARG    44      60.042  -2.896 -33.277
ATOM    706 3HD  ARG    44      59.221  -4.182 -32.416
ATOM    707  NE  ARG    44      57.987  -2.956 -33.543
ATOM    708  HE  ARG    44      57.263  -2.335 -33.209
ATOM    709  CZ  ARG    44      57.812  -3.550 -34.717
ATOM    710  NH1 ARG    44      58.736  -4.374 -35.192
ATOM    711 1HH1 ARG    44      59.576  -4.551 -34.660
ATOM    712 2HH1 ARG    44      58.599  -4.825 -36.085
ATOM    713  NH2 ARG    44      56.709  -3.322 -35.420
ATOM    714 1HH2 ARG    44      56.002  -2.696 -35.062
ATOM    715 2HH2 ARG    44      56.577  -3.775 -36.313
ATOM    716  C   ARG    44      59.260  -2.661 -28.278
ATOM    717  O   ARG    44      60.452  -2.750 -27.982
ATOM    718  N   ASP    45      58.444  -1.768 -27.729
ATOM    719  H   ASP    45      57.476  -1.745 -28.015
ATOM    720  CA  ASP    45      58.911  -0.821 -26.724
ATOM    721  HA  ASP    45      59.598  -0.144 -27.188
ATOM    722  CB  ASP    45      57.736  -0.015 -26.167
ATOM    723 2HB  ASP    45      56.998  -0.697 -25.792
ATOM    724 3HB  ASP    45      58.092   0.603 -25.366
ATOM    725  CG  ASP    45      57.092   0.870 -27.215
ATOM    726  OD1 ASP    45      57.714   1.080 -28.278
ATOM    727  OD2 ASP    45      55.967   1.353 -26.973
ATOM    728  C   ASP    45      59.632  -1.543 -25.590
ATOM    729  O   ASP    45      60.645  -1.066 -25.081
ATOM    730  N   GLY    46      59.100  -2.697 -25.197
ATOM    731  H   GLY    46      58.266  -3.042 -25.650
ATOM    732  CA  GLY    46      59.705  -3.466 -24.125
ATOM    733 2HA  GLY    46      59.844  -4.475 -24.461
ATOM    734 3HA  GLY    46      60.658  -3.034 -23.887
ATOM    735  C   GLY    46      58.852  -3.484 -22.872
ATOM    736  O   GLY    46      58.973  -2.605 -22.018
ATOM    737  N   ILE    47      57.986  -4.486 -22.762
ATOM    738  H   ILE    47      57.934  -5.175 -23.498
ATOM    739  CA  ILE    47      57.110  -4.614 -21.604
ATOM    740  HA  ILE    47      57.564  -4.106 -20.779
ATOM    741  CB  ILE    47      55.733  -3.977 -21.868
ATOM    742  HB  ILE    47      55.269  -4.496 -22.680
ATOM    743  CG2 ILE    47      54.844  -4.109 -20.640
ATOM    744 1HG2 ILE    47      54.706  -5.175 -20.400
ATOM    745 2HG2 ILE    47      55.318  -3.599 -19.787
ATOM    746 3HG2 ILE    47      53.865  -3.649 -20.845
ATOM    747  CG1 ILE    47      55.893  -2.507 -22.260
ATOM    748 2HG1 ILE    47      55.007  -1.978 -21.964
ATOM    749 3HG1 ILE    47      56.740  -2.106 -21.737
ATOM    750  CD1 ILE    47      56.103  -2.296 -23.743
ATOM    751 1HD1 ILE    47      57.015  -2.823 -24.063
ATOM    752 2HD1 ILE    47      55.237  -2.692 -24.296
ATOM    753 3HD1 ILE    47      56.210  -1.220 -23.949
ATOM    754  C   ILE    47      56.916  -6.077 -21.221
ATOM    755  O   ILE    47      56.932  -6.427 -20.040
ATOM    756  N   ARG    48      56.734  -6.927 -22.225
ATOM    757  H   ARG    48      56.731  -6.577 -23.172
ATOM    758  CA  ARG    48      56.538  -8.353 -21.993
ATOM    759  HA  ARG    48      55.849  -8.475 -21.184
ATOM    760  CB  ARG    48      55.948  -9.018 -23.239
ATOM    761 2HB  ARG    48      55.649  -8.249 -23.924
ATOM    762 3HB  ARG    48      56.709  -9.624 -23.692
ATOM    763  CG  ARG    48      54.743  -9.897 -22.948
ATOM    764 2HG  ARG    48      54.405 -10.340 -23.865
ATOM    765 3HG  ARG    48      55.033 -10.670 -22.263
ATOM    766  CD  ARG    48      53.604  -9.096 -22.337
ATOM    767 2HD  ARG    48      53.577  -9.282 -21.281
ATOM    768 3HD  ARG    48      53.782  -8.052 -22.511
ATOM    769  NE  ARG    48      52.311  -9.456 -22.912
ATOM    770  HE  ARG    48      52.302 -10.023 -23.748
ATOM    771  CZ  ARG    48      51.146  -9.079 -22.396
ATOM    772  NH1 ARG    48      51.113  -8.334 -21.300
ATOM    773 1HH1 ARG    48      51.975  -8.052 -20.855
ATOM    774 2HH1 ARG    48      50.226  -8.049 -20.910
ATOM    775  NH2 ARG    48      50.012  -9.448 -22.977
ATOM    776 1HH2 ARG    48      50.034 -10.016 -23.812
ATOM    777 2HH2 ARG    48      49.127  -9.161 -22.584
ATOM    778  C   ARG    48      57.853  -9.029 -21.617
ATOM    779  O   ARG    48      57.863 -10.058 -20.940
ATOM    780  N   VAL    49      58.961  -8.445 -22.061
ATOM    781  H   VAL    49      58.886  -7.603 -22.613
ATOM    782  CA  VAL    49      60.282  -8.989 -21.771
ATOM    783  HA  VAL    49      60.369  -9.939 -22.255
ATOM    784  CB  VAL    49      61.398  -8.069 -22.301
ATOM    785  HB  VAL    49      61.327  -7.129 -21.795
ATOM    786  CG1 VAL    49      62.766  -8.666 -22.010
ATOM    787 1HG1 VAL    49      62.890  -8.787 -20.923
ATOM    788 2HG1 VAL    49      62.850  -9.648 -22.501
ATOM    789 3HG1 VAL    49      63.549  -7.995 -22.396
ATOM    790  CG2 VAL    49      61.221  -7.823 -23.792
ATOM    791 1HG2 VAL    49      61.263  -8.783 -24.330
ATOM    792 2HG2 VAL    49      60.246  -7.344 -23.972
ATOM    793 3HG2 VAL    49      62.026  -7.165 -24.153
ATOM    794  C   VAL    49      60.475  -9.193 -20.272
ATOM    795  O   VAL    49      60.142  -8.323 -19.469
ATOM    796  N   GLY    50      61.018 -10.349 -19.903
ATOM    797  H   GLY    50      61.274 -11.028 -20.606
ATOM    798  CA  GLY    50      61.247 -10.646 -18.501
ATOM    799 2HA  GLY    50      62.179 -11.170 -18.408
ATOM    800 3HA  GLY    50      61.301  -9.722 -17.958
ATOM    801  C   GLY    50      60.147 -11.499 -17.901
ATOM    802  O   GLY    50      60.343 -12.143 -16.870
ATOM    803  N   HIS    51      58.985 -11.503 -18.547
ATOM    804  H   HIS    51      58.887 -10.952 -19.388
ATOM    805  CA  HIS    51      57.848 -12.283 -18.071
ATOM    806  HA  HIS    51      57.512 -11.864 -17.146
ATOM    807  CB  HIS    51      56.701 -12.219 -19.079
ATOM    808 2HB  HIS    51      57.115 -12.051 -20.054
ATOM    809 3HB  HIS    51      56.186 -13.160 -19.067
ATOM    810  CG  HIS    51      55.711 -11.133 -18.792
ATOM    811  ND1 HIS    51      56.029  -9.792 -18.841
ATOM    812  HD1 HIS    51      56.938  -9.416 -19.069
ATOM    813  CE1 HIS    51      54.960  -9.076 -18.543
ATOM    814  HE1 HIS    51      54.912  -7.994 -18.503
ATOM    815  NE2 HIS    51      53.959  -9.904 -18.302
ATOM    816  CD2 HIS    51      54.402 -11.195 -18.452
ATOM    817  HD2 HIS    51      53.813 -12.096 -18.322
ATOM    818  C   HIS    51      58.249 -13.735 -17.829
ATOM    819  O   HIS    51      59.140 -14.263 -18.495
ATOM    820  N   ALA    52      57.585 -14.376 -16.872
ATOM    821  H   ALA    52      56.865 -13.887 -16.360
ATOM    822  CA  ALA    52      57.871 -15.767 -16.544
ATOM    823  HA  ALA    52      58.394 -16.206 -17.368
ATOM    824  CB  ALA    52      58.763 -15.846 -15.314
ATOM    825 1HB  ALA    52      59.710 -15.321 -15.513
ATOM    826 2HB  ALA    52      58.254 -15.373 -14.460
ATOM    827 3HB  ALA    52      58.970 -16.901 -15.078
ATOM    828  C   ALA    52      56.584 -16.553 -16.319
ATOM    829  O   ALA    52      55.553 -15.986 -15.958
ATOM    830  N   VAL    53      56.651 -17.863 -16.535
ATOM    831  H   VAL    53      57.527 -18.269 -16.831
ATOM    832  CA  VAL    53      55.491 -18.728 -16.355
ATOM    833  HA  VAL    53      54.625 -18.210 -16.709
ATOM    834  CB  VAL    53      55.637 -20.036 -17.156
ATOM    835  HB  VAL    53      55.819 -19.784 -18.180
ATOM    836  CG1 VAL    53      56.819 -20.846 -16.646
ATOM    837 1HG1 VAL    53      57.742 -20.256 -16.754
ATOM    838 2HG1 VAL    53      56.664 -21.093 -15.584
ATOM    839 3HG1 VAL    53      56.906 -21.775 -17.230
ATOM    840  CG2 VAL    53      54.353 -20.849 -17.085
ATOM    841 1HG2 VAL    53      54.132 -21.095 -16.035
ATOM    842 2HG2 VAL    53      53.523 -20.262 -17.507
ATOM    843 3HG2 VAL    53      54.475 -21.779 -17.662
ATOM    844  C   VAL    53      55.281 -19.067 -14.884
ATOM    845  O   VAL    53      56.221 -19.441 -14.181
ATOM    846  N   LEU    54      54.042 -18.934 -14.423
ATOM    847  H   LEU    54      53.314 -18.623 -15.050
ATOM    848  CA  LEU    54      53.707 -19.226 -13.034
ATOM    849  HA  LEU    54      54.616 -19.367 -12.487
ATOM    850  CB  LEU    54      52.944 -18.054 -12.415
ATOM    851 2HB  LEU    54      52.423 -17.548 -13.205
ATOM    852 3HB  LEU    54      52.234 -18.456 -11.719
ATOM    853  CG  LEU    54      53.790 -17.018 -11.674
ATOM    854  HG  LEU    54      53.135 -16.276 -11.267
ATOM    855  CD1 LEU    54      54.547 -17.670 -10.527
ATOM    856 1HD1 LEU    54      53.830 -18.117  -9.821
ATOM    857 2HD1 LEU    54      55.209 -18.455 -10.924
ATOM    858 3HD1 LEU    54      55.150 -16.910 -10.006
ATOM    859  CD2 LEU    54      54.755 -16.334 -12.631
ATOM    860 1HD2 LEU    54      55.423 -17.086 -13.079
ATOM    861 2HD2 LEU    54      54.186 -15.828 -13.426
ATOM    862 3HD2 LEU    54      55.354 -15.593 -12.080
ATOM    863  C   LEU    54      52.875 -20.501 -12.931
ATOM    864  O   LEU    54      53.134 -21.356 -12.085
ATOM    865  N   ALA    55      51.876 -20.621 -13.799
ATOM    866  H   ALA    55      51.714 -19.882 -14.468
ATOM    867  CA  ALA    55      51.009 -21.792 -13.809
ATOM    868  HA  ALA    55      51.504 -22.581 -13.282
ATOM    869  CB  ALA    55      49.701 -21.487 -13.094
ATOM    870 1HB  ALA    55      49.910 -21.204 -12.051
ATOM    871 2HB  ALA    55      49.189 -20.656 -13.604
ATOM    872 3HB  ALA    55      49.057 -22.380 -13.110
ATOM    873  C   ALA    55      50.738 -22.263 -15.234
ATOM    874  O   ALA    55      50.962 -21.525 -16.194
ATOM    875  N   ILE    56      50.256 -23.494 -15.364
ATOM    876  H   ILE    56      50.094 -24.050 -14.536
ATOM    877  CA  ILE    56      49.955 -24.062 -16.672
ATOM    878  HA  ILE    56      49.761 -23.259 -17.352
ATOM    879  CB  ILE    56      51.139 -24.883 -17.215
ATOM    880  HB  ILE    56      51.241 -25.766 -16.619
ATOM    881  CG2 ILE    56      50.878 -25.300 -18.655
ATOM    882 1HG2 ILE    56      49.965 -25.914 -18.700
ATOM    883 2HG2 ILE    56      50.747 -24.402 -19.279
ATOM    884 3HG2 ILE    56      51.733 -25.885 -19.028
ATOM    885  CG1 ILE    56      52.436 -24.077 -17.115
ATOM    886 2HG1 ILE    56      52.346 -23.210 -17.741
ATOM    887 3HG1 ILE    56      52.567 -23.769 -16.095
ATOM    888  CD1 ILE    56      53.663 -24.851 -17.542
ATOM    889 1HD1 ILE    56      53.778 -25.740 -16.902
ATOM    890 2HD1 ILE    56      53.551 -25.166 -18.591
ATOM    891 3HD1 ILE    56      54.553 -24.211 -17.444
ATOM    892  C   ILE    56      48.718 -24.952 -16.613
ATOM    893  O   ILE    56      48.634 -25.861 -15.788
ATOM    894  N   ASN    57      47.761 -24.685 -17.496
ATOM    895  H   ASN    57      47.891 -23.925 -18.149
ATOM    896  CA  ASN    57      46.528 -25.463 -17.545
ATOM    897  HA  ASN    57      45.871 -25.015 -18.261
ATOM    898  CB  ASN    57      46.823 -26.898 -17.987
ATOM    899 2HB  ASN    57      47.872 -26.985 -18.196
ATOM    900 3HB  ASN    57      46.561 -27.565 -17.189
ATOM    901  CG  ASN    57      46.045 -27.293 -19.227
ATOM    902  OD1 ASN    57      44.817 -27.378 -19.201
ATOM    903  ND2 ASN    57      46.758 -27.538 -20.320
ATOM    904 1HD2 ASN    57      46.294 -27.806 -21.176
ATOM    905 2HD2 ASN    57      47.764 -27.456 -20.295
ATOM    906  C   ASN    57      45.834 -25.470 -16.187
ATOM    907  O   ASN    57      45.097 -26.399 -15.859
ATOM    908  N   GLY    58      46.075 -24.425 -15.400
ATOM    909  H   GLY    58      46.689 -23.690 -15.720
ATOM    910  CA  GLY    58      45.466 -24.330 -14.086
ATOM    911 2HA  GLY    58      45.405 -23.295 -13.809
ATOM    912 3HA  GLY    58      44.478 -24.746 -14.134
ATOM    913  C   GLY    58      46.255 -25.071 -13.025
ATOM    914  O   GLY    58      45.734 -25.375 -11.953
ATOM    915  N   MET    59      47.517 -25.364 -13.326
ATOM    916  H   MET    59      47.887 -25.088 -14.224
ATOM    917  CA  MET    59      48.379 -26.075 -12.389
ATOM    918  HA  MET    59      47.887 -26.119 -11.440
ATOM    919  CB  MET    59      48.628 -27.504 -12.876
ATOM    920 2HB  MET    59      48.841 -27.472 -13.927
ATOM    921 3HB  MET    59      49.477 -27.899 -12.351
ATOM    922  CG  MET    59      47.448 -28.436 -12.652
ATOM    923 2HG  MET    59      46.949 -28.147 -11.747
ATOM    924 3HG  MET    59      46.772 -28.339 -13.480
ATOM    925  SD  MET    59      47.945 -30.163 -12.511
ATOM    926  CE  MET    59      48.051 -30.628 -14.237
ATOM    927 1HE  MET    59      47.069 -30.490 -14.715
ATOM    928 2HE  MET    59      48.797 -29.995 -14.742
ATOM    929 3HE  MET    59      48.352 -31.684 -14.315
ATOM    930  C   MET    59      49.708 -25.347 -12.214
ATOM    931  O   MET    59      50.460 -25.168 -13.172
ATOM    932  N   ASP    60      49.990 -24.928 -10.985
ATOM    933  H   ASP    60      49.331 -25.105 -10.241
ATOM    934  CA  ASP    60      51.229 -24.219 -10.685
ATOM    935  HA  ASP    60      51.212 -23.275 -11.189
ATOM    936  CB  ASP    60      51.344 -23.966  -9.181
ATOM    937 2HB  ASP    60      51.971 -23.110  -9.023
ATOM    938 3HB  ASP    60      50.365 -23.769  -8.789
ATOM    939  CG  ASP    60      51.937 -25.147  -8.438
ATOM    940  OD1 ASP    60      51.158 -25.972  -7.917
ATOM    941  OD2 ASP    60      53.181 -25.246  -8.379
ATOM    942  C   ASP    60      52.439 -25.009 -11.174
ATOM    943  O   ASP    60      52.517 -26.223 -10.989
ATOM    944  N   VAL    61      53.381 -24.310 -11.801
ATOM    945  H   VAL    61      53.258 -23.315 -11.922
ATOM    946  CA  VAL    61      54.587 -24.946 -12.318
ATOM    947  HA  VAL    61      54.581 -25.974 -12.020
ATOM    948  CB  VAL    61      54.639 -24.885 -13.856
ATOM    949  HB  VAL    61      55.598 -25.237 -14.174
ATOM    950  CG1 VAL    61      53.574 -25.786 -14.462
ATOM    951 1HG1 VAL    61      53.745 -26.825 -14.140
ATOM    952 2HG1 VAL    61      52.579 -25.456 -14.125
ATOM    953 3HG1 VAL    61      53.627 -25.729 -15.560
ATOM    954  CG2 VAL    61      54.473 -23.451 -14.338
ATOM    955 1HG2 VAL    61      53.502 -23.059 -13.997
ATOM    956 2HG2 VAL    61      55.284 -22.830 -13.928
ATOM    957 3HG2 VAL    61      54.513 -23.427 -15.438
ATOM    958  C   VAL    61      55.840 -24.287 -11.751
ATOM    959  O   VAL    61      55.763 -23.264 -11.073
ATOM    960  N   ASN    62      56.994 -24.882 -12.036
ATOM    961  H   ASN    62      56.990 -25.720 -12.599
ATOM    962  CA  ASN    62      58.265 -24.353 -11.555
ATOM    963  HA  ASN    62      58.145 -23.309 -11.352
ATOM    964  CB  ASN    62      58.677 -25.057 -10.260
ATOM    965 2HB  ASN    62      59.539 -24.561  -9.857
ATOM    966 3HB  ASN    62      57.867 -24.992  -9.560
ATOM    967  CG  ASN    62      59.015 -26.519 -10.479
ATOM    968  OD1 ASN    62      60.179 -26.879 -10.657
ATOM    969  ND2 ASN    62      57.995 -27.370 -10.466
ATOM    970 1HD2 ASN    62      58.159 -28.357 -10.606
ATOM    971 2HD2 ASN    62      57.056 -27.030 -10.316
ATOM    972  C   ASN    62      59.357 -24.521 -12.607
ATOM    973  O   ASN    62      59.546 -25.607 -13.153
ATOM    974  N   GLY    63      60.075 -23.436 -12.885
ATOM    975  H   GLY    63      59.877 -22.570 -12.405
ATOM    976  CA  GLY    63      61.139 -23.484 -13.870
ATOM    977 2HA  GLY    63      61.503 -22.488 -14.032
ATOM    978 3HA  GLY    63      61.933 -24.098 -13.490
ATOM    979  C   GLY    63      60.677 -24.054 -15.197
ATOM    980  O   GLY    63      59.839 -23.462 -15.877
ATOM    981  N   ARG    64      61.225 -25.207 -15.566
ATOM    982  H   ARG    64      61.907 -25.644 -14.962
ATOM    983  CA  ARG    64      60.866 -25.856 -16.821
ATOM    984  HA  ARG    64      60.201 -25.213 -17.359
ATOM    985  CB  ARG    64      62.114 -26.090 -17.675
ATOM    986 2HB  ARG    64      61.802 -26.370 -18.663
ATOM    987 3HB  ARG    64      62.670 -25.173 -17.722
ATOM    988  CG  ARG    64      63.027 -27.178 -17.133
ATOM    989 2HG  ARG    64      63.431 -26.858 -16.192
ATOM    990 3HG  ARG    64      62.455 -28.074 -16.990
ATOM    991  CD  ARG    64      64.173 -27.470 -18.089
ATOM    992 2HD  ARG    64      64.816 -26.612 -18.132
ATOM    993 3HD  ARG    64      64.726 -28.313 -17.720
ATOM    994  NE  ARG    64      63.698 -27.771 -19.437
ATOM    995  HE  ARG    64      62.702 -27.839 -19.588
ATOM    996  CZ  ARG    64      64.504 -27.960 -20.475
ATOM    997  NH1 ARG    64      65.819 -27.882 -20.321
ATOM    998 1HH1 ARG    64      66.210 -27.678 -19.412
ATOM    999 2HH1 ARG    64      66.430 -28.027 -21.112
ATOM   1000  NH2 ARG    64      63.996 -28.230 -21.671
ATOM   1001 1HH2 ARG    64      62.995 -28.291 -21.793
ATOM   1002 2HH2 ARG    64      64.610 -28.374 -22.460
ATOM   1003  C   ARG    64      60.157 -27.183 -16.564
ATOM   1004  O   ARG    64      60.165 -28.077 -17.410
ATOM   1005  N   TYR    65      59.545 -27.303 -15.391
ATOM   1006  H   TYR    65      59.574 -26.532 -14.739
ATOM   1007  CA  TYR    65      58.833 -28.520 -15.021
ATOM   1008  HA  TYR    65      58.709 -29.121 -15.897
ATOM   1009  CB  TYR    65      59.642 -29.316 -13.995
ATOM   1010 2HB  TYR    65      59.559 -28.826 -13.044
ATOM   1011 3HB  TYR    65      59.226 -30.303 -13.926
ATOM   1012  CG  TYR    65      61.108 -29.439 -14.343
ATOM   1013  CD1 TYR    65      61.546 -30.380 -15.268
ATOM   1014  HD1 TYR    65      60.825 -31.033 -15.746
ATOM   1015  CE1 TYR    65      62.885 -30.496 -15.588
ATOM   1016  HE1 TYR    65      63.210 -31.236 -16.310
ATOM   1017  CZ  TYR    65      63.806 -29.666 -14.984
ATOM   1018  OH  TYR    65      65.140 -29.779 -15.300
ATOM   1019  HH  TYR    65      65.644 -29.135 -14.797
ATOM   1020  CE2 TYR    65      63.396 -28.725 -14.063
ATOM   1021  HE2 TYR    65      64.122 -28.074 -13.589
ATOM   1022  CD2 TYR    65      62.056 -28.616 -13.747
ATOM   1023  HD2 TYR    65      61.738 -27.876 -13.022
ATOM   1024  C   TYR    65      57.454 -28.195 -14.457
ATOM   1025  O   TYR    65      57.198 -27.074 -14.016
ATOM   1026  N   THR    66      56.567 -29.185 -14.473
ATOM   1027  H   THR    66      56.838 -30.083 -14.847
ATOM   1028  CA  THR    66      55.213 -29.007 -13.964
ATOM   1029  HA  THR    66      54.942 -27.978 -14.079
ATOM   1030  CB  THR    66      54.201 -29.867 -14.745
ATOM   1031  HB  THR    66      53.211 -29.551 -14.489
ATOM   1032  CG2 THR    66      54.395 -29.702 -16.245
ATOM   1033 1HG2 THR    66      54.250 -28.646 -16.520
ATOM   1034 2HG2 THR    66      55.414 -30.016 -16.520
ATOM   1035 3HG2 THR    66      53.662 -30.325 -16.781
ATOM   1036  OG1 THR    66      54.351 -31.245 -14.388
ATOM   1037 1HG  THR    66      53.717 -31.773 -14.879
ATOM   1038  C   THR    66      55.130 -29.364 -12.484
ATOM   1039  O   THR    66      56.140 -29.677 -11.855
ATOM   1040  N   ALA    67      53.921 -29.315 -11.935
ATOM   1041  H   ALA    67      53.131 -29.049 -12.506
ATOM   1042  CA  ALA    67      53.706 -29.636 -10.530
ATOM   1043  HA  ALA    67      54.221 -28.910  -9.937
ATOM   1044  CB  ALA    67      52.224 -29.565 -10.192
ATOM   1045 1HB  ALA    67      51.851 -28.548 -10.389
ATOM   1046 2HB  ALA    67      51.671 -30.286 -10.814
ATOM   1047 3HB  ALA    67      52.078 -29.810  -9.129
ATOM   1048  C   ALA    67      54.263 -31.014 -10.191
ATOM   1049  O   ALA    67      54.631 -31.281  -9.047
ATOM   1050  N   ASP    68      54.320 -31.886 -11.191
ATOM   1051  H   ASP    68      54.001 -31.606 -12.108
ATOM   1052  CA  ASP    68      54.832 -33.238 -10.998
ATOM   1053  HA  ASP    68      54.569 -33.564 -10.014
ATOM   1054  CB  ASP    68      54.202 -34.194 -12.012
ATOM   1055 2HB  ASP    68      53.305 -33.747 -12.395
ATOM   1056 3HB  ASP    68      54.896 -34.349 -12.816
ATOM   1057  CG  ASP    68      53.854 -35.538 -11.403
ATOM   1058  OD1 ASP    68      53.355 -35.560 -10.258
ATOM   1059  OD2 ASP    68      54.082 -36.569 -12.071
ATOM   1060  C   ASP    68      56.351 -33.268 -11.129
ATOM   1061  O   ASP    68      57.030 -34.015 -10.426
ATOM   1062  N   GLY    69      56.879 -32.449 -12.034
ATOM   1063  H   GLY    69      56.274 -31.856 -12.584
ATOM   1064  CA  GLY    69      58.314 -32.398 -12.241
ATOM   1065 2HA  GLY    69      58.636 -31.377 -12.170
ATOM   1066 3HA  GLY    69      58.793 -32.978 -11.475
ATOM   1067  C   GLY    69      58.725 -32.945 -13.594
ATOM   1068  O   GLY    69      59.847 -33.422 -13.765
ATOM   1069  N   LYS    70      57.813 -32.878 -14.559
ATOM   1070  H   LYS    70      56.909 -32.476 -14.355
ATOM   1071  CA  LYS    70      58.085 -33.371 -15.904
ATOM   1072  HA  LYS    70      58.923 -34.035 -15.861
ATOM   1073  CB  LYS    70      56.877 -34.143 -16.440
ATOM   1074 2HB  LYS    70      56.768 -35.043 -15.866
ATOM   1075 3HB  LYS    70      56.003 -33.533 -16.318
ATOM   1076  CG  LYS    70      56.999 -34.520 -17.906
ATOM   1077 2HG  LYS    70      56.091 -34.998 -18.220
ATOM   1078 3HG  LYS    70      57.151 -33.629 -18.483
ATOM   1079  CD  LYS    70      58.163 -35.467 -18.144
ATOM   1080 2HD  LYS    70      58.715 -35.132 -19.001
ATOM   1081 3HD  LYS    70      58.801 -35.459 -17.282
ATOM   1082  CE  LYS    70      57.683 -36.890 -18.390
ATOM   1083 2HE  LYS    70      57.547 -37.379 -17.444
ATOM   1084 3HE  LYS    70      56.746 -36.855 -18.912
ATOM   1085  NZ  LYS    70      58.657 -37.672 -19.200
ATOM   1086 1HZ  LYS    70      58.788 -37.221 -20.099
ATOM   1087 2HZ  LYS    70      59.544 -37.716 -18.711
ATOM   1088 3HZ  LYS    70      58.302 -38.611 -19.341
ATOM   1089  C   LYS    70      58.425 -32.221 -16.846
ATOM   1090  O   LYS    70      57.900 -31.117 -16.707
ATOM   1091  N   GLU    71      59.306 -32.488 -17.805
ATOM   1092  H   GLU    71      59.702 -33.415 -17.867
ATOM   1093  CA  GLU    71      59.715 -31.474 -18.770
ATOM   1094  HA  GLU    71      60.269 -30.717 -18.255
ATOM   1095  CB  GLU    71      60.615 -32.092 -19.842
ATOM   1096 2HB  GLU    71      60.726 -33.138 -19.630
ATOM   1097 3HB  GLU    71      60.140 -31.969 -20.796
ATOM   1098  CG  GLU    71      61.998 -31.466 -19.909
ATOM   1099 2HG  GLU    71      61.896 -30.438 -20.199
ATOM   1100 3HG  GLU    71      62.447 -31.520 -18.936
ATOM   1101  CD  GLU    71      62.907 -32.164 -20.904
ATOM   1102  OE1 GLU    71      64.057 -32.481 -20.534
ATOM   1103  OE2 GLU    71      62.468 -32.392 -22.050
ATOM   1104  C   GLU    71      58.499 -30.825 -19.425
ATOM   1105  O   GLU    71      57.823 -31.438 -20.251
ATOM   1106  N   VAL    72      58.227 -29.579 -19.050
ATOM   1107  H   VAL    72      58.820 -29.129 -18.367
ATOM   1108  CA  VAL    72      57.093 -28.845 -19.600
ATOM   1109  HA  VAL    72      56.212 -29.439 -19.472
ATOM   1110  CB  VAL    72      56.886 -27.505 -18.871
ATOM   1111  HB  VAL    72      56.712 -27.710 -17.835
ATOM   1112  CG1 VAL    72      58.130 -26.637 -18.983
ATOM   1113 1HG1 VAL    72      58.985 -27.161 -18.530
ATOM   1114 2HG1 VAL    72      58.343 -26.436 -20.044
ATOM   1115 3HG1 VAL    72      57.962 -25.685 -18.456
ATOM   1116  CG2 VAL    72      55.669 -26.780 -19.425
ATOM   1117 1HG2 VAL    72      55.816 -26.584 -20.499
ATOM   1118 2HG2 VAL    72      54.774 -27.406 -19.285
ATOM   1119 3HG2 VAL    72      55.537 -25.825 -18.893
ATOM   1120  C   VAL    72      57.282 -28.578 -21.089
ATOM   1121  O   VAL    72      56.324 -28.604 -21.862
ATOM   1122  N   LEU    73      58.524 -28.321 -21.485
ATOM   1123  H   LEU    73      59.267 -28.314 -20.801
ATOM   1124  CA  LEU    73      58.840 -28.049 -22.883
ATOM   1125  HA  LEU    73      58.258 -27.212 -23.207
ATOM   1126  CB  LEU    73      60.321 -27.699 -23.032
ATOM   1127 2HB  LEU    73      60.860 -28.221 -22.265
ATOM   1128 3HB  LEU    73      60.644 -28.044 -23.995
ATOM   1129  CG  LEU    73      60.674 -26.215 -22.924
ATOM   1130  HG  LEU    73      60.261 -25.836 -22.013
ATOM   1131  CD1 LEU    73      62.183 -26.026 -22.882
ATOM   1132 1HD1 LEU    73      62.595 -26.555 -22.009
ATOM   1133 2HD1 LEU    73      62.630 -26.433 -23.802
ATOM   1134 3HD1 LEU    73      62.416 -24.953 -22.804
ATOM   1135  CD2 LEU    73      60.070 -25.437 -24.084
ATOM   1136 1HD2 LEU    73      60.464 -25.830 -25.034
ATOM   1137 2HD2 LEU    73      58.975 -25.546 -24.068
ATOM   1138 3HD2 LEU    73      60.334 -24.372 -23.989
ATOM   1139  C   LEU    73      58.498 -29.248 -23.762
ATOM   1140  O   LEU    73      57.849 -29.105 -24.798
ATOM   1141  N   GLU    74      58.937 -30.429 -23.339
ATOM   1142  H   GLU    74      59.464 -30.480 -22.479
ATOM   1143  CA  GLU    74      58.676 -31.653 -24.088
ATOM   1144  HA  GLU    74      58.864 -31.464 -25.124
ATOM   1145  CB  GLU    74      59.608 -32.772 -23.620
ATOM   1146 2HB  GLU    74      60.607 -32.535 -23.933
ATOM   1147 3HB  GLU    74      59.571 -32.819 -22.549
ATOM   1148  CG  GLU    74      59.243 -34.140 -24.174
ATOM   1149 2HG  GLU    74      58.354 -34.484 -23.682
ATOM   1150 3HG  GLU    74      59.055 -34.046 -25.226
ATOM   1151  CD  GLU    74      60.341 -35.165 -23.966
ATOM   1152  OE1 GLU    74      60.664 -35.891 -24.930
ATOM   1153  OE2 GLU    74      60.876 -35.242 -22.841
ATOM   1154  C   GLU    74      57.222 -32.088 -23.930
ATOM   1155  O   GLU    74      56.585 -32.523 -24.889
ATOM   1156  N   TYR    75      56.704 -31.967 -22.713
ATOM   1157  H   TYR    75      57.278 -31.601 -21.967
ATOM   1158  CA  TYR    75      55.326 -32.350 -22.427
ATOM   1159  HA  TYR    75      55.229 -33.406 -22.573
ATOM   1160  CB  TYR    75      54.976 -32.025 -20.974
ATOM   1161 2HB  TYR    75      55.539 -32.678 -20.335
ATOM   1162 3HB  TYR    75      55.253 -31.007 -20.778
ATOM   1163  CG  TYR    75      53.507 -32.192 -20.653
ATOM   1164  CD1 TYR    75      52.795 -33.289 -21.121
ATOM   1165  HD1 TYR    75      53.301 -34.035 -21.723
ATOM   1166  CE1 TYR    75      51.453 -33.446 -20.832
ATOM   1167  HE1 TYR    75      50.912 -34.308 -21.206
ATOM   1168  CZ  TYR    75      50.806 -32.499 -20.065
ATOM   1169  OH  TYR    75      49.470 -32.651 -19.773
ATOM   1170  HH  TYR    75      49.174 -31.913 -19.235
ATOM   1171  CE2 TYR    75      51.492 -31.401 -19.588
ATOM   1172  HE2 TYR    75      50.981 -30.659 -18.984
ATOM   1173  CD2 TYR    75      52.833 -31.252 -19.884
ATOM   1174  HD2 TYR    75      53.368 -30.387 -19.510
ATOM   1175  C   TYR    75      54.357 -31.639 -23.367
ATOM   1176  O   TYR    75      53.594 -32.279 -24.091
ATOM   1177  N   LEU    76      54.394 -30.311 -23.350
ATOM   1178  H   LEU    76      55.043 -29.844 -22.733
ATOM   1179  CA  LEU    76      53.520 -29.511 -24.201
ATOM   1180  HA  LEU    76      52.546 -29.954 -24.201
ATOM   1181  CB  LEU    76      53.408 -28.087 -23.654
ATOM   1182 2HB  LEU    76      54.292 -27.553 -23.946
ATOM   1183 3HB  LEU    76      52.549 -27.629 -24.105
ATOM   1184  CG  LEU    76      53.264 -27.960 -22.137
ATOM   1185  HG  LEU    76      54.030 -28.547 -21.675
ATOM   1186  CD1 LEU    76      53.442 -26.513 -21.703
ATOM   1187 1HD1 LEU    76      54.443 -26.162 -21.997
ATOM   1188 2HD1 LEU    76      52.677 -25.888 -22.188
ATOM   1189 3HD1 LEU    76      53.335 -26.442 -20.610
ATOM   1190  CD2 LEU    76      51.912 -28.492 -21.683
ATOM   1191 1HD2 LEU    76      51.109 -27.915 -22.168
ATOM   1192 2HD2 LEU    76      51.822 -29.553 -21.963
ATOM   1193 3HD2 LEU    76      51.827 -28.392 -20.590
ATOM   1194  C   LEU    76      54.038 -29.478 -25.635
ATOM   1195  O   LEU    76      53.264 -29.341 -26.582
ATOM   1196  N   GLY    77      55.352 -29.606 -25.787
ATOM   1197  H   GLY    77      55.940 -29.716 -24.973
ATOM   1198  CA  GLY    77      55.951 -29.590 -27.109
ATOM   1199 2HA  GLY    77      55.587 -28.733 -27.642
ATOM   1200 3HA  GLY    77      57.016 -29.519 -27.003
ATOM   1201  C   GLY    77      55.623 -30.835 -27.909
ATOM   1202  O   GLY    77      55.909 -30.907 -29.104
ATOM   1203  N   ASN    78      55.021 -31.819 -27.249
ATOM   1204  H   ASN    78      54.811 -31.698 -26.268
ATOM   1205  CA  ASN    78      54.656 -33.069 -27.906
ATOM   1206  HA  ASN    78      55.469 -33.376 -28.530
ATOM   1207  CB  ASN    78      54.401 -34.161 -26.866
ATOM   1208 2HB  ASN    78      54.436 -33.721 -25.888
ATOM   1209 3HB  ASN    78      53.427 -34.578 -27.036
ATOM   1210  CG  ASN    78      55.426 -35.276 -26.935
ATOM   1211  OD1 ASN    78      56.538 -35.083 -27.426
ATOM   1212  ND2 ASN    78      55.054 -36.453 -26.443
ATOM   1213 1HD2 ASN    78      55.695 -37.234 -26.462
ATOM   1214 2HD2 ASN    78      54.131 -36.567 -26.050
ATOM   1215  C   ASN    78      53.418 -32.883 -28.779
ATOM   1216  O   ASN    78      52.610 -31.977 -28.569
ATOM   1217  N   PRO    79      53.263 -33.760 -29.781
ATOM   1218  CD  PRO    79      54.186 -34.865 -30.090
ATOM   1219 2HD  PRO    79      54.404 -35.440 -29.211
ATOM   1220 3HD  PRO    79      55.101 -34.495 -30.511
ATOM   1221  CG  PRO    79      53.425 -35.685 -31.095
ATOM   1222 2HG  PRO    79      52.869 -36.459 -30.601
ATOM   1223 3HG  PRO    79      54.099 -36.126 -31.804
ATOM   1224  CB  PRO    79      52.500 -34.739 -31.779
ATOM   1225 2HB  PRO    79      51.627 -35.253 -32.133
ATOM   1226 3HB  PRO    79      52.991 -34.259 -32.604
ATOM   1227  CA  PRO    79      52.125 -33.715 -30.705
ATOM   1228  HA  PRO    79      52.040 -32.740 -31.138
ATOM   1229  C   PRO    79      50.815 -34.105 -30.030
ATOM   1230  O   PRO    79      49.802 -33.423 -30.179
ATOM   1231  N   ALA    80      50.842 -35.207 -29.288
ATOM   1232  H   ALA    80      51.705 -35.725 -29.207
ATOM   1233  CA  ALA    80      49.657 -35.687 -28.588
ATOM   1234  HA  ALA    80      48.929 -35.975 -29.318
ATOM   1235  CB  ALA    80      49.998 -36.907 -27.746
ATOM   1236 1HB  ALA    80      50.379 -37.708 -28.398
ATOM   1237 2HB  ALA    80      50.768 -36.639 -27.006
ATOM   1238 3HB  ALA    80      49.094 -37.257 -27.224
ATOM   1239  C   ALA    80      49.054 -34.591 -27.716
ATOM   1240  O   ALA    80      47.841 -34.542 -27.515
ATOM   1241  N   ASN    81      49.909 -33.715 -27.198
ATOM   1242  H   ASN    81      50.894 -33.810 -27.399
ATOM   1243  CA  ASN    81      49.460 -32.620 -26.346
ATOM   1244  HA  ASN    81      48.434 -32.786 -26.091
ATOM   1245  CB  ASN    81      50.282 -32.581 -25.056
ATOM   1246 2HB  ASN    81      51.182 -32.026 -25.238
ATOM   1247 3HB  ASN    81      49.706 -32.089 -24.296
ATOM   1248  CG  ASN    81      50.655 -33.966 -24.565
ATOM   1249  OD1 ASN    81      49.822 -34.687 -24.015
ATOM   1250  ND2 ASN    81      51.912 -34.345 -24.762
ATOM   1251 1HD2 ASN    81      52.218 -35.258 -24.456
ATOM   1252 2HD2 ASN    81      52.562 -33.721 -25.218
ATOM   1253  C   ASN    81      49.569 -31.284 -27.073
ATOM   1254  O   ASN    81      50.372 -30.427 -26.703
ATOM   1255  N   TYR    82      48.756 -31.113 -28.110
ATOM   1256  H   TYR    82      48.118 -31.854 -28.363
ATOM   1257  CA  TYR    82      48.762 -29.882 -28.891
ATOM   1258  HA  TYR    82      49.771 -29.663 -29.174
ATOM   1259  CB  TYR    82      47.927 -30.054 -30.161
ATOM   1260 2HB  TYR    82      47.252 -30.875 -30.014
ATOM   1261 3HB  TYR    82      47.366 -29.154 -30.323
ATOM   1262  CG  TYR    82      48.754 -30.330 -31.396
ATOM   1263  CD1 TYR    82      48.656 -31.544 -32.065
ATOM   1264  HD1 TYR    82      47.976 -32.303 -31.695
ATOM   1265  CE1 TYR    82      49.410 -31.800 -33.194
ATOM   1266  HE1 TYR    82      49.321 -32.752 -33.704
ATOM   1267  CZ  TYR    82      50.276 -30.838 -33.669
ATOM   1268  OH  TYR    82      51.030 -31.089 -34.793
ATOM   1269  HH  TYR    82      51.576 -30.324 -34.989
ATOM   1270  CE2 TYR    82      50.392 -29.625 -33.022
ATOM   1271  HE2 TYR    82      51.073 -28.870 -33.397
ATOM   1272  CD2 TYR    82      49.635 -29.378 -31.893
ATOM   1273  HD2 TYR    82      49.730 -28.425 -31.386
ATOM   1274  C   TYR    82      48.224 -28.713 -28.070
ATOM   1275  O   TYR    82      48.913 -27.722 -27.827
ATOM   1276  N   PRO    83      46.962 -28.831 -27.632
ATOM   1277  CD  PRO    83      46.082 -29.985 -27.883
ATOM   1278 2HD  PRO    83      46.577 -30.905 -27.640
ATOM   1279 3HD  PRO    83      45.764 -30.010 -28.908
ATOM   1280  CG  PRO    83      44.917 -29.742 -26.964
ATOM   1281 2HG  PRO    83      45.075 -30.233 -26.023
ATOM   1282 3HG  PRO    83      44.010 -30.104 -27.408
ATOM   1283  CB  PRO    83      44.847 -28.266 -26.772
ATOM   1284 2HB  PRO    83      44.410 -28.029 -25.821
ATOM   1285 3HB  PRO    83      44.271 -27.810 -27.554
ATOM   1286  CA  PRO    83      46.302 -27.796 -26.830
ATOM   1287  HA  PRO    83      46.364 -26.850 -27.326
ATOM   1288  C   PRO    83      46.885 -27.691 -25.425
ATOM   1289  O   PRO    83      46.840 -28.648 -24.651
ATOM   1290  N   VAL    84      47.431 -26.524 -25.101
ATOM   1291  H   VAL    84      47.437 -25.778 -25.781
ATOM   1292  CA  VAL    84      48.021 -26.294 -23.788
ATOM   1293  HA  VAL    84      47.501 -26.897 -23.074
ATOM   1294  CB  VAL    84      49.510 -26.688 -23.765
ATOM   1295  HB  VAL    84      49.914 -26.418 -22.812
ATOM   1296  CG1 VAL    84      49.667 -28.191 -23.942
ATOM   1297 1HG1 VAL    84      49.146 -28.713 -23.124
ATOM   1298 2HG1 VAL    84      49.232 -28.494 -24.907
ATOM   1299 3HG1 VAL    84      50.736 -28.453 -23.923
ATOM   1300  CG2 VAL    84      50.277 -25.933 -24.839
ATOM   1301 1HG2 VAL    84      49.858 -26.175 -25.828
ATOM   1302 2HG2 VAL    84      50.191 -24.850 -24.659
ATOM   1303 3HG2 VAL    84      51.338 -26.227 -24.808
ATOM   1304  C   VAL    84      47.887 -24.833 -23.373
ATOM   1305  O   VAL    84      48.202 -23.927 -24.145
ATOM   1306  N   SER    85      47.418 -24.611 -22.150
ATOM   1307  H   SER    85      47.179 -25.398 -21.564
ATOM   1308  CA  SER    85      47.239 -23.260 -21.633
ATOM   1309  HA  SER    85      47.212 -22.580 -22.459
ATOM   1310  CB  SER    85      45.916 -23.153 -20.871
ATOM   1311 2HB  SER    85      45.139 -23.611 -21.452
ATOM   1312 3HB  SER    85      46.010 -23.665 -19.933
ATOM   1313  OG  SER    85      45.575 -21.800 -20.628
ATOM   1314  HG  SER    85      44.743 -21.760 -20.150
ATOM   1315  C   SER    85      48.397 -22.869 -20.721
ATOM   1316  O   SER    85      48.825 -23.652 -19.872
ATOM   1317  N   ILE    86      48.901 -21.653 -20.902
ATOM   1318  H   ILE    86      48.506 -21.058 -21.616
ATOM   1319  CA  ILE    86      50.009 -21.157 -20.096
ATOM   1320  HA  ILE    86      50.252 -21.898 -19.364
ATOM   1321  CB  ILE    86      51.259 -20.896 -20.956
ATOM   1322  HB  ILE    86      51.078 -20.035 -21.566
ATOM   1323  CG2 ILE    86      52.463 -20.615 -20.070
ATOM   1324 1HG2 ILE    86      52.263 -19.728 -19.450
ATOM   1325 2HG2 ILE    86      52.650 -21.483 -19.419
ATOM   1326 3HG2 ILE    86      53.347 -20.431 -20.700
ATOM   1327  CG1 ILE    86      51.533 -22.091 -21.872
ATOM   1328 2HG1 ILE    86      51.692 -22.958 -21.260
ATOM   1329 3HG1 ILE    86      50.673 -22.246 -22.494
ATOM   1330  CD1 ILE    86      52.741 -21.906 -22.763
ATOM   1331 1HD1 ILE    86      52.591 -21.026 -23.407
ATOM   1332 2HD1 ILE    86      53.637 -21.757 -22.140
ATOM   1333 3HD1 ILE    86      52.875 -22.801 -23.390
ATOM   1334  C   ILE    86      49.628 -19.871 -19.370
ATOM   1335  O   ILE    86      49.031 -18.968 -19.956
ATOM   1336  N   ARG    87      49.980 -19.794 -18.090
ATOM   1337  H   ARG    87      50.470 -20.569 -17.666
ATOM   1338  CA  ARG    87      49.676 -18.618 -17.284
ATOM   1339  HA  ARG    87      49.172 -17.903 -17.901
ATOM   1340  CB  ARG    87      48.755 -18.994 -16.122
ATOM   1341 2HB  ARG    87      49.338 -19.501 -15.377
ATOM   1342 3HB  ARG    87      48.349 -18.092 -15.705
ATOM   1343  CG  ARG    87      47.602 -19.898 -16.527
ATOM   1344 2HG  ARG    87      47.237 -19.589 -17.488
ATOM   1345 3HG  ARG    87      47.956 -20.909 -16.587
ATOM   1346  CD  ARG    87      46.463 -19.832 -15.521
ATOM   1347 2HD  ARG    87      46.876 -19.751 -14.534
ATOM   1348 3HD  ARG    87      45.865 -18.966 -15.730
ATOM   1349  NE  ARG    87      45.612 -21.018 -15.580
ATOM   1350  HE  ARG    87      45.649 -21.671 -14.810
ATOM   1351  CZ  ARG    87      44.793 -21.285 -16.590
ATOM   1352  NH1 ARG    87      44.714 -20.456 -17.622
ATOM   1353 1HH1 ARG    87      45.278 -19.618 -17.641
ATOM   1354 2HH1 ARG    87      44.090 -20.662 -18.389
ATOM   1355  NH2 ARG    87      44.050 -22.385 -16.571
ATOM   1356 1HH2 ARG    87      44.107 -23.020 -15.787
ATOM   1357 2HH2 ARG    87      43.428 -22.587 -17.340
ATOM   1358  C   ARG    87      50.955 -17.981 -16.748
ATOM   1359  O   ARG    87      51.443 -18.348 -15.679
ATOM   1360  N   PHE    88      51.493 -17.025 -17.498
ATOM   1361  H   PHE    88      51.044 -16.768 -18.365
ATOM   1362  CA  PHE    88      52.716 -16.338 -17.099
ATOM   1363  HA  PHE    88      53.156 -16.872 -16.283
ATOM   1364  CB  PHE    88      53.713 -16.312 -18.259
ATOM   1365 2HB  PHE    88      54.531 -15.673 -17.989
ATOM   1366 3HB  PHE    88      54.076 -17.309 -18.417
ATOM   1367  CG  PHE    88      53.123 -15.811 -19.546
ATOM   1368  CD1 PHE    88      52.922 -16.671 -20.613
ATOM   1369  HD1 PHE    88      53.194 -17.716 -20.517
ATOM   1370  CE1 PHE    88      52.379 -16.213 -21.799
ATOM   1371  HE1 PHE    88      52.227 -16.897 -22.626
ATOM   1372  CZ  PHE    88      52.031 -14.883 -21.929
ATOM   1373  HZ  PHE    88      51.606 -14.521 -22.858
ATOM   1374  CE2 PHE    88      52.226 -14.015 -20.872
ATOM   1375  HE2 PHE    88      51.952 -12.971 -20.971
ATOM   1376  CD2 PHE    88      52.770 -14.478 -19.689
ATOM   1377  HD2 PHE    88      52.922 -13.792 -18.864
ATOM   1378  C   PHE    88      52.415 -14.914 -16.641
ATOM   1379  O   PHE    88      51.292 -14.429 -16.780
ATOM   1380  N   GLY    89      53.427 -14.248 -16.093
ATOM   1381  H   GLY    89      54.328 -14.695 -16.004
ATOM   1382  CA  GLY    89      53.251 -12.887 -15.622
ATOM   1383 2HA  GLY    89      52.620 -12.362 -16.313
ATOM   1384 3HA  GLY    89      52.781 -12.914 -14.658
ATOM   1385  C   GLY    89      54.565 -12.141 -15.501
ATOM   1386  O   GLY    89      55.555 -12.506 -16.137
ATOM   1387  N   ARG    90      54.576 -11.092 -14.685
ATOM   1388  H   ARG    90      53.731 -10.844 -14.191
ATOM   1389  CA  ARG    90      55.777 -10.291 -14.486
ATOM   1390  HA  ARG    90      56.564 -10.703 -15.083
ATOM   1391  CB  ARG    90      55.533  -8.847 -14.931
ATOM   1392 2HB  ARG    90      55.233  -8.856 -15.961
ATOM   1393 3HB  ARG    90      54.743  -8.436 -14.332
ATOM   1394  CG  ARG    90      56.755  -7.953 -14.794
ATOM   1395 2HG  ARG    90      56.432  -6.948 -14.600
ATOM   1396 3HG  ARG    90      57.352  -8.301 -13.973
ATOM   1397  CD  ARG    90      57.599  -7.966 -16.059
ATOM   1398 2HD  ARG    90      58.636  -7.981 -15.783
ATOM   1399 3HD  ARG    90      57.366  -8.849 -16.622
ATOM   1400  NE  ARG    90      57.350  -6.795 -16.895
ATOM   1401  HE  ARG    90      56.728  -6.895 -17.684
ATOM   1402  CZ  ARG    90      57.897  -5.605 -16.674
ATOM   1403  NH1 ARG    90      58.719  -5.429 -15.648
ATOM   1404 1HH1 ARG    90      58.931  -6.201 -15.032
ATOM   1405 2HH1 ARG    90      59.133  -4.523 -15.482
ATOM   1406  NH2 ARG    90      57.622  -4.587 -17.480
ATOM   1407 1HH2 ARG    90      56.996  -4.717 -18.262
ATOM   1408 2HH2 ARG    90      58.038  -3.682 -17.311
ATOM   1409  C   ARG    90      56.212 -10.317 -13.023
ATOM   1410  O   ARG    90      56.109  -9.325 -12.302
ATOM   1411  N   PRO    91      56.709 -11.479 -12.575
ATOM   1412  CD  PRO    91      56.861 -12.703 -13.379
ATOM   1413 2HD  PRO    91      57.361 -12.494 -14.305
ATOM   1414 3HD  PRO    91      55.907 -13.151 -13.581
ATOM   1415  CG  PRO    91      57.699 -13.593 -12.504
ATOM   1416 2HG  PRO    91      58.740 -13.467 -12.733
ATOM   1417 3HG  PRO    91      57.424 -14.620 -12.645
ATOM   1418  CB  PRO    91      57.422 -13.170 -11.103
ATOM   1419 2HB  PRO    91      58.266 -13.374 -10.472
ATOM   1420 3HB  PRO    91      56.557 -13.676 -10.719
ATOM   1421  CA  PRO    91      57.169 -11.663 -11.195
ATOM   1422  HA  PRO    91      56.400 -11.376 -10.509
ATOM   1423  C   PRO    91      58.450 -10.889 -10.903
ATOM   1424  O   PRO    91      58.897 -10.080 -11.716
ATOM   1425  N   ARG    92      59.037 -11.143  -9.738
ATOM   1426  H   ARG    92      58.621 -11.819  -9.114
ATOM   1427  CA  ARG    92      60.267 -10.469  -9.339
ATOM   1428  HA  ARG    92      60.849 -10.275 -10.216
ATOM   1429  CB  ARG    92      59.946  -9.135  -8.663
ATOM   1430 2HB  ARG    92      59.087  -8.709  -9.144
ATOM   1431 3HB  ARG    92      59.721  -9.323  -7.631
ATOM   1432  CG  ARG    92      61.084  -8.129  -8.731
ATOM   1433 2HG  ARG    92      60.861  -7.305  -8.081
ATOM   1434 3HG  ARG    92      61.990  -8.605  -8.408
ATOM   1435  CD  ARG    92      61.279  -7.604 -10.144
ATOM   1436 2HD  ARG    92      62.331  -7.529 -10.344
ATOM   1437 3HD  ARG    92      60.832  -8.293 -10.834
ATOM   1438  NE  ARG    92      60.669  -6.289 -10.328
ATOM   1439  HE  ARG    92      60.267  -5.832  -9.522
ATOM   1440  CZ  ARG    92      60.615  -5.662 -11.498
ATOM   1441  NH1 ARG    92      61.130  -6.226 -12.581
ATOM   1442 1HH1 ARG    92      61.566  -7.135 -12.518
ATOM   1443 2HH1 ARG    92      61.087  -5.747 -13.469
ATOM   1444  NH2 ARG    92      60.043  -4.467 -11.585
ATOM   1445 1HH2 ARG    92      59.649  -4.034 -10.762
ATOM   1446 2HH2 ARG    92      60.002  -3.990 -12.475
ATOM   1447  C   ARG    92      61.086 -11.346  -8.396
ATOM   1448  O   ARG    92      61.753 -10.847  -7.489
ATOM   1449  N   LEU    93      61.030 -12.655  -8.616
ATOM   1450  H   LEU    93      60.464 -13.003  -9.377
ATOM   1451  CA  LEU    93      61.766 -13.602  -7.785
ATOM   1452  HA  LEU    93      61.754 -13.250  -6.775
ATOM   1453  CB  LEU    93      61.097 -14.977  -7.830
ATOM   1454 2HB  LEU    93      60.870 -15.198  -8.855
ATOM   1455 3HB  LEU    93      61.800 -15.696  -7.456
ATOM   1456  CG  LEU    93      59.806 -15.122  -7.024
ATOM   1457  HG  LEU    93      59.104 -14.397  -7.379
ATOM   1458  CD1 LEU    93      59.206 -16.506  -7.219
ATOM   1459 1HD1 LEU    93      58.980 -16.661  -8.285
ATOM   1460 2HD1 LEU    93      59.925 -17.269  -6.881
ATOM   1461 3HD1 LEU    93      58.279 -16.590  -6.631
ATOM   1462  CD2 LEU    93      60.066 -14.855  -5.548
ATOM   1463 1HD2 LEU    93      60.807 -15.576  -5.170
ATOM   1464 2HD2 LEU    93      60.453 -13.832  -5.423
ATOM   1465 3HD2 LEU    93      59.127 -14.964  -4.984
ATOM   1466  C   LEU    93      63.216 -13.715  -8.243
ATOM   1467  O   LEU    93      64.109 -14.014  -7.449
ATOM   1468  N   THR    94      63.446 -13.472  -9.530
ATOM   1469  H   THR    94      62.671 -13.231 -10.132
ATOM   1470  CA  THR    94      64.788 -13.545 -10.094
ATOM   1471  HA  THR    94      65.111 -14.565 -10.066
ATOM   1472  CB  THR    94      64.809 -13.068 -11.559
ATOM   1473  HB  THR    94      64.771 -11.999 -11.574
ATOM   1474  CG2 THR    94      66.081 -13.522 -12.257
ATOM   1475 1HG2 THR    94      66.955 -13.103 -11.735
ATOM   1476 2HG2 THR    94      66.136 -14.622 -12.241
ATOM   1477 3HG2 THR    94      66.073 -13.170 -13.300
ATOM   1478  OG1 THR    94      63.667 -13.579 -12.256
ATOM   1479 1HG  THR    94      63.687 -13.278 -13.167
ATOM   1480  C   THR    94      65.771 -12.707  -9.285
ATOM   1481  O   THR    94      65.509 -11.541  -8.987
ATOM   1482  N   SER    95      66.903 -13.307  -8.932
ATOM   1483  H   SER    95      67.060 -14.266  -9.209
ATOM   1484  CA  SER    95      67.925 -12.615  -8.154
ATOM   1485  HA  SER    95      67.891 -11.574  -8.397
ATOM   1486  CB  SER    95      67.651 -12.775  -6.658
ATOM   1487 2HB  SER    95      67.644 -13.820  -6.413
ATOM   1488 3HB  SER    95      68.428 -12.284  -6.105
ATOM   1489  OG  SER    95      66.402 -12.208  -6.304
ATOM   1490  HG  SER    95      66.254 -12.321  -5.362
ATOM   1491  C   SER    95      69.315 -13.147  -8.488
ATOM   1492  O   SER    95      69.778 -14.120  -7.894
ATOM   1493  N   ASN    96      69.975 -12.502  -9.444
ATOM   1494  H   ASN    96      69.540 -11.710  -9.894
ATOM   1495  CA  ASN    96      71.312 -12.910  -9.859
ATOM   1496  HA  ASN    96      71.654 -13.678  -9.197
ATOM   1497  CB  ASN    96      71.279 -13.472 -11.282
ATOM   1498 2HB  ASN    96      70.340 -13.968 -11.435
ATOM   1499 3HB  ASN    96      71.371 -12.659 -11.976
ATOM   1500  CG  ASN    96      72.399 -14.461 -11.539
ATOM   1501  OD1 ASN    96      73.493 -14.081 -11.957
ATOM   1502  ND2 ASN    96      72.130 -15.737 -11.291
ATOM   1503 1HD2 ASN    96      72.838 -16.441 -11.444
ATOM   1504 2HD2 ASN    96      71.218 -16.004 -10.949
ATOM   1505  C   ASN    96      72.286 -11.737  -9.787
ATOM   1506  O   ASN    96      73.225 -11.745  -8.992
ATOM   1507  OXT ASN    96      72.149 -10.766 -10.528
TER   
END   
standard_anneal0000744000372100000240000000230310452206602012701 0ustar  fenggames#! /bin/sh -f
cat << eof > anneal1

 MD annealing protocol for NAP

#
#

 &cntrl
    nstlim=30000, pencut=0.3, nmropt=1,
    ntpr=100, ntt=1, cut=8.0,
    ntc=1, vlimit=20., scee=2.0, igb=3, ntb=0,
    ntr=0, 
 &end

#
# Simulated annealing protocol 30ps
# Non-bonded terms negligible for first 15ps then expanded to normal
#

 &wt type='TEMP0', istep1=0, istep2=8000, value1=1000.0, value2=1000.0, &end
 &wt type='TEMP0', istep1=8001, istep2=10000, value1=1000.0, value2=1000.0, &end
 &wt type='TEMP0', istep1=10001, istep2=30000, value1=0.0, value2=0.0, &end

 &wt type='TAUTP', istep1=0, istep2=8000, value1=2.0, value2=2.0, &end
 &wt type='TAUTP', istep1=8001, istep2=10000, value1=2.0, value2=2.0, &end
 &wt type='TAUTP', istep1=10001, istep2=25000, value1=4.0, value2=4.0, &end
 &wt type='TAUTP', istep1=25001, istep2=28000, value1=0.7, value2=0.1, &end
 &wt type='TAUTP', istep1=28001, istep2=29000, value1=0.1, value2=0.1, &end
 &wt type='TAUTP', istep1=29001, istep2=30000, value1=0.05, value2=0.05, &end

 &wt type='REST', istep1=0, istep2=16000, value1=0.0, value2=1.0, &end
 &wt type='REST', istep1=16001, istep2=30000, value1=1.0, value2=1.0, &end

 &wt type='END' &end
LISTOUT=POUT
DISANG=all.rst
END
END

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   2.427  37.151   7.906
    2    H2   MET   1           H2       MET   1   2.383  35.514   7.991
    3    H3   MET   1           H3       MET   1   0.997  36.347   7.749
    4    HA   MET   1           HA       MET   1   2.658  36.316  10.158
    5    HB2  MET   1           2HB      MET   1   1.100  37.805  11.244
    6    HB3  MET   1           3HB      MET   1   1.777  38.582   9.821
    7    HG2  MET   1           2HG      MET   1  -0.329  38.117   8.573
    8    HG3  MET   1           3HG      MET   1  -0.998  37.331  10.008
    9    HE1  MET   1           3HE      MET   1  -3.131  40.593   9.734
   10    HE2  MET   1           1HE      MET   1  -2.495  39.611   8.396
   11    HE3  MET   1           2HE      MET   1  -3.156  38.819   9.846
   12    H    GLY   2           H        GLY   2   1.787  35.157  11.941
   13    HA2  GLY   2           2HA      GLY   2   0.376  33.797  13.121
   14    HA3  GLY   2           3HA      GLY   2  -0.832  33.931  11.839
   15    H    HIS   3           H        HIS   3   0.018  32.831   9.683
   16    HA   HIS   3           HA       HIS   3   0.119  30.846   8.625
   17    HB2  HIS   3           2HB      HIS   3   2.714  30.593  10.185
   18    HB3  HIS   3           3HB      HIS   3   2.310  29.757   8.685
   19    HD1  HIS   3           1HD      HIS   3   2.189  31.345   6.424
   20    HD2  HIS   3           2HD      HIS   3   3.518  33.135   9.997
   21    HE1  HIS   3           1HE      HIS   3   3.211  33.578   5.765
   22    H    HIS   4           H        HIS   4  -1.602  30.675  10.782
   23    HA   HIS   4           HA       HIS   4  -1.157  28.458  12.513
   24    HB2  HIS   4           2HB      HIS   4  -3.809  29.615  11.560
   25    HB3  HIS   4           3HB      HIS   4  -3.531  28.676  13.025
   26    HD1  HIS   4           1HD      HIS   4  -4.070  32.135  12.167
   27    HD2  HIS   4           2HD      HIS   4  -1.361  30.042  14.623
   28    HE1  HIS   4           1HE      HIS   4  -3.158  33.828  13.833
   29    H    HIS   5           H        HIS   5  -2.262  26.377  12.490
   30    HA   HIS   5           HA       HIS   5  -3.407  25.359  10.014
   31    HB2  HIS   5           2HB      HIS   5  -0.917  25.156   9.681
   32    HB3  HIS   5           3HB      HIS   5  -0.819  24.203  11.160
   33    HD1  HIS   5           1HD      HIS   5  -1.014  21.623  10.742
   34    HD2  HIS   5           2HD      HIS   5  -2.603  24.020   7.667
   35    HE1  HIS   5           1HE      HIS   5  -1.746  20.027   8.895
   36    H    HIS   6           H        HIS   6  -4.276  23.141  10.421
   37    HA   HIS   6           HA       HIS   6  -4.415  22.127  13.137
   38    HB2  HIS   6           2HB      HIS   6  -6.176  23.883  13.175
   39    HB3  HIS   6           3HB      HIS   6  -6.884  23.220  11.704
   40    HD1  HIS   6           1HD      HIS   6  -6.173  21.908  15.326
   41    HD2  HIS   6           2HD      HIS   6  -8.865  21.596  12.099
   42    HE1  HIS   6           1HE      HIS   6  -8.030  20.347  16.091
   43    H    HIS   7           H        HIS   7  -5.422  19.951  13.078
   44    HA   HIS   7           HA       HIS   7  -6.107  18.762  10.523
   45    HB2  HIS   7           2HB      HIS   7  -4.331  17.020  10.661
   46    HB3  HIS   7           3HB      HIS   7  -3.701  18.619  10.316
   47    HD1  HIS   7           1HD      HIS   7  -3.878  16.132  13.289
   48    HD2  HIS   7           2HD      HIS   7  -1.889  19.603  11.972
   49    HE1  HIS   7           1HE      HIS   7  -1.958  16.524  14.921
   50    H    HIS   8           H        HIS   8  -6.731  16.475  10.848
   51    HA   HIS   8           HA       HIS   8  -8.308  16.019  13.220
   52    HB2  HIS   8           2HB      HIS   8  -8.819  15.234  10.877
   53    HB3  HIS   8           3HB      HIS   8  -7.466  14.111  10.994
   54    HD1  HIS   8           1HD      HIS   8  -7.982  11.829  12.250
   55    HD2  HIS   8           2HD      HIS   8 -10.983  14.766  12.543
   56    HE1  HIS   8           1HE      HIS   8 -10.012  10.680  13.290
   57    H    LEU   9           H        LEU   9  -8.013  13.775  14.344
   58    HA   LEU   9           HA       LEU   9  -5.765  13.648  15.966
   59    HB2  LEU   9           2HB      LEU   9  -7.830  12.458  16.461
   60    HB3  LEU   9           3HB      LEU   9  -7.656  11.464  15.014
   61    HG   LEU   9           HG       LEU   9  -5.631  10.394  15.968
   62   HD11  LEU   9          1HD1      LEU   9  -4.822  12.169  17.488
   63   HD12  LEU   9          2HD1      LEU   9  -6.286  11.999  18.480
   64   HD13  LEU   9          3HD1      LEU   9  -5.108  10.672  18.372
   65   HD21  LEU   9          3HD2      LEU   9  -7.846   9.375  16.259
   66   HD22  LEU   9          1HD2      LEU   9  -6.795   9.042  17.643
   67   HD23  LEU   9          2HD2      LEU   9  -8.072  10.273  17.775
   68    H    ASP  10           H        ASP  10  -3.706  13.212  15.574
   69    HA   ASP  10           HA       ASP  10  -2.563  12.705  13.118
   70    HB2  ASP  10           2HB      ASP  10  -1.276  13.706  14.831
   71    HB3  ASP  10           3HB      ASP  10  -1.613  12.403  15.969
   72    H    SER  11           H        SER  11  -3.567  10.290  15.503
   73    HA   SER  11           HA       SER  11  -2.238   8.044  14.432
   74    HB2  SER  11           2HB      SER  11  -4.948   7.976  15.780
   75    HB3  SER  11           3HB      SER  11  -3.633   6.799  15.901
   76    HG   SER  11           HG       SER  11  -2.474   8.287  17.142
   77    H    TYR  12           H        TYR  12  -5.082   9.721  13.242
   78    HA   TYR  12           HA       TYR  12  -6.195   7.421  11.903
   79    HB2  TYR  12           2HB      TYR  12  -7.136   9.695  13.177
   80    HB3  TYR  12           3HB      TYR  12  -7.333  10.123  11.485
   81    HD1  TYR  12           2HD      TYR  12  -7.955   7.549  14.047
   82    HD2  TYR  12           1HD      TYR  12  -9.190   9.149  10.245
   83    HE1  TYR  12           2HE      TYR  12  -9.937   6.069  14.088
   84    HE2  TYR  12           1HE      TYR  12 -11.162   7.667  10.238
   85    HH   TYR  12           HH       TYR  12 -11.874   5.384  12.945
   86    H    ALA  13           H        ALA  13  -7.041   7.544   9.773
   87    HA   ALA  13           HA       ALA  13  -6.385   9.540   7.860
   88    HB1  ALA  13           3HB      ALA  13  -5.213   6.753   7.404
   89    HB2  ALA  13           1HB      ALA  13  -5.221   8.086   6.244
   90    HB3  ALA  13           2HB      ALA  13  -4.259   8.224   7.718
   91    HA   PRO  14           HA       PRO  14 -10.257   7.907   6.257
   92    HB2  PRO  14           2HB      PRO  14  -8.850   7.785   3.579
   93    HB3  PRO  14           3HB      PRO  14 -10.498   8.378   3.953
   94    HG2  PRO  14           2HG      PRO  14  -8.460  10.137   3.630
   95    HG3  PRO  14           3HG      PRO  14  -9.637  10.361   4.965
   96    HD2  PRO  14           2HD      PRO  14  -6.839   9.245   5.096
   97    HD3  PRO  14           3HD      PRO  14  -7.700  10.311   6.250
   98    H    ARG  15           H        ARG  15 -11.265   5.981   5.629
   99    HA   ARG  15           HA       ARG  15 -10.065   3.622   6.454
  100    HB2  ARG  15           2HB      ARG  15 -12.042   2.476   5.502
  101    HB3  ARG  15           3HB      ARG  15 -12.458   3.866   6.487
  102    HG2  ARG  15           2HG      ARG  15 -13.175   5.157   4.668
  103    HG3  ARG  15           3HG      ARG  15 -12.235   4.251   3.482
  104    HD2  ARG  15           2HD      ARG  15 -14.617   3.090   4.975
  105    HD3  ARG  15           3HD      ARG  15 -14.709   3.846   3.370
  106    HE   ARG  15           HE       ARG  15 -12.670   1.983   3.144
  107   HH11  ARG  15          1HH1      ARG  15 -16.146   1.767   3.859
  108   HH12  ARG  15          2HH1      ARG  15 -16.288   0.150   3.275
  109   HH21  ARG  15          1HH2      ARG  15 -12.818  -0.070   2.444
  110   HH22  ARG  15          2HH2      ARG  15 -14.321  -0.947   2.416
  111    H    ALA  16           H        ALA  16  -9.695   1.584   5.351
  112    HA   ALA  16           HA       ALA  16  -8.007   1.742   3.028
  113    HB1  ALA  16           3HB      ALA  16  -9.399  -0.659   4.317
  114    HB2  ALA  16           1HB      ALA  16  -8.038  -0.725   3.183
  115    HB3  ALA  16           2HB      ALA  16  -7.813  -0.023   4.799
  116    H    GLU  17           H        GLU  17  -8.442   0.589   0.968
  117    HA   GLU  17           HA       GLU  17 -11.248   0.903   0.055
  118    HB2  GLU  17           2HB      GLU  17  -8.691   0.282  -1.490
  119    HB3  GLU  17           3HB      GLU  17 -10.314   0.495  -2.176
  120    HG2  GLU  17           2HG      GLU  17 -10.368   2.808  -1.138
  121    HG3  GLU  17           3HG      GLU  17  -8.672   2.591  -0.694
  122    H    ALA  18           H        ALA  18 -12.006  -0.951  -1.399
  123    HA   ALA  18           HA       ALA  18 -12.139  -3.374   0.115
  124    HB1  ALA  18           3HB      ALA  18 -12.905  -2.807  -2.786
  125    HB2  ALA  18           1HB      ALA  18 -13.423  -4.205  -1.824
  126    HB3  ALA  18           2HB      ALA  18 -13.959  -2.578  -1.367
  127    H    GLU  19           H        GLU  19 -11.548  -5.522  -0.696
  128    HA   GLU  19           HA       GLU  19  -8.824  -5.793  -1.527
  129    HB2  GLU  19           2HB      GLU  19 -10.147  -7.432  -0.152
  130    HB3  GLU  19           3HB      GLU  19 -11.101  -7.828  -1.584
  131    HG2  GLU  19           2HG      GLU  19  -9.072  -8.645  -2.729
  132    HG3  GLU  19           3HG      GLU  19  -8.077  -8.165  -1.350
  133    H    LYS  20           H        LYS  20  -7.956  -6.252  -3.573
  134    HA   LYS  20           HA       LYS  20  -9.775  -6.428  -5.918
  135    HB2  LYS  20           2HB      LYS  20  -9.211  -4.022  -5.573
  136    HB3  LYS  20           3HB      LYS  20  -7.492  -4.436  -5.553
  137    HG2  LYS  20           2HG      LYS  20  -7.776  -5.342  -7.893
  138    HG3  LYS  20           3HG      LYS  20  -9.419  -4.712  -7.906
  139    HD2  LYS  20           2HD      LYS  20  -8.632  -2.449  -7.794
  140    HD3  LYS  20           3HD      LYS  20  -6.996  -2.940  -7.347
  141    HE2  LYS  20           2HE      LYS  20  -8.327  -3.564 -10.022
  142    HE3  LYS  20           3HE      LYS  20  -7.220  -2.219  -9.741
  143    HZ1  LYS  20           3HZ      LYS  20  -5.492  -3.839  -9.179
  144    HZ2  LYS  20           1HZ      LYS  20  -6.499  -5.094  -9.460
  145    HZ3  LYS  20           2HZ      LYS  20  -6.067  -4.104 -10.688
  146    H    THR  21           H        THR  21  -8.878  -7.702  -7.590
  147    HA   THR  21           HA       THR  21  -6.622  -9.392  -6.983
  148    HB   THR  21           HB       THR  21  -7.184 -10.045  -9.475
  149    HG1  THR  21           1HG      THR  21  -9.218  -9.449 -10.115
  150   HG21  THR  21          3HG2      THR  21  -7.700 -11.440  -7.512
  151   HG22  THR  21          1HG2      THR  21  -9.164 -10.488  -7.188
  152   HG23  THR  21          2HG2      THR  21  -9.041 -11.474  -8.666
  153    H    PHE  22           H        PHE  22  -4.618  -9.432  -8.030
  154    HA   PHE  22           HA       PHE  22  -3.973  -7.371 -10.028
  155    HB2  PHE  22           2HB      PHE  22  -2.459  -7.748  -7.412
  156    HB3  PHE  22           3HB      PHE  22  -1.757  -6.995  -8.825
  157    HD1  PHE  22           1HD      PHE  22  -4.327  -6.601  -6.173
  158    HD2  PHE  22           2HD      PHE  22  -2.291  -4.726  -9.479
  159    HE1  PHE  22           1HE      PHE  22  -5.145  -4.384  -5.421
  160    HE2  PHE  22           2HE      PHE  22  -3.126  -2.509  -8.729
  161    HZ   PHE  22           HZ       PHE  22  -4.533  -2.332  -6.688
  162    H    SER  23           H        SER  23  -1.986  -7.937 -11.161
  163    HA   SER  23           HA       SER  23  -0.633 -10.431 -10.829
  164    HB2  SER  23           2HB      SER  23  -2.434 -10.045 -13.271
  165    HB3  SER  23           3HB      SER  23  -1.210 -11.315 -13.087
  166    HG   SER  23           HG       SER  23  -3.003 -11.124 -11.002
  167    H    TYR  24           H        TYR  24   0.939 -10.530 -12.956
  168    HA   TYR  24           HA       TYR  24   1.701  -7.774 -13.701
  169    HB2  TYR  24           2HB      TYR  24   3.531  -9.815 -12.423
  170    HB3  TYR  24           3HB      TYR  24   3.999  -8.203 -12.929
  171    HD1  TYR  24           2HD      TYR  24   2.863  -6.187 -11.728
  172    HD2  TYR  24           1HD      TYR  24   2.721 -10.235 -10.252
  173    HE1  TYR  24           2HE      TYR  24   2.160  -5.345  -9.512
  174    HE2  TYR  24           1HE      TYR  24   1.966  -9.407  -8.030
  175    HH   TYR  24           HH       TYR  24   1.492  -5.905  -7.358
  176    HA   PRO  25           HA       PRO  25   3.887  -7.091 -14.856
  177    HB2  PRO  25           2HB      PRO  25   4.188  -6.167 -17.408
  178    HB3  PRO  25           3HB      PRO  25   5.350  -7.280 -16.625
  179    HG2  PRO  25           2HG      PRO  25   3.088  -7.982 -18.519
  180    HG3  PRO  25           3HG      PRO  25   4.793  -8.534 -18.577
  181    HD2  PRO  25           2HD      PRO  25   2.815 -10.049 -17.462
  182    HD3  PRO  25           3HD      PRO  25   4.464 -10.025 -16.775
  183    H    LEU  26           H        LEU  26   2.969  -4.952 -15.055
  184    HA   LEU  26           HA       LEU  26   0.318  -4.563 -16.192
  185    HB2  LEU  26           2HB      LEU  26  -0.149  -5.852 -14.119
  186    HB3  LEU  26           3HB      LEU  26   0.824  -4.724 -13.178
  187    HG   LEU  26           HG       LEU  26  -0.831  -2.929 -13.608
  188   HD11  LEU  26          1HD1      LEU  26  -3.034  -3.492 -14.606
  189   HD12  LEU  26          2HD1      LEU  26  -1.748  -3.656 -15.801
  190   HD13  LEU  26          3HD1      LEU  26  -2.429  -5.105 -15.039
  191   HD21  LEU  26          3HD2      LEU  26  -2.099  -5.485 -12.550
  192   HD22  LEU  26          1HD2      LEU  26  -1.030  -4.412 -11.630
  193   HD23  LEU  26          2HD2      LEU  26  -2.604  -3.817 -12.188
  194    H    ASP  27           H        ASP  27  -0.255  -2.276 -15.988
  195    HA   ASP  27           HA       ASP  27   1.974  -0.419 -15.702
  196    HB2  ASP  27           2HB      ASP  27   0.302  -0.122 -17.466
  197    HB3  ASP  27           3HB      ASP  27  -0.982   0.018 -16.261
  198    H    LEU  28           H        LEU  28   2.122  -1.486 -13.410
  199    HA   LEU  28           HA       LEU  28   1.166   0.430 -11.420
  200    HB2  LEU  28           2HB      LEU  28  -0.656  -1.253 -11.546
  201    HB3  LEU  28           3HB      LEU  28   0.494  -2.553 -11.309
  202    HG   LEU  28           HG       LEU  28  -0.965  -1.923  -9.379
  203   HD11  LEU  28          1HD1      LEU  28   0.608  -2.330  -7.658
  204   HD12  LEU  28          2HD1      LEU  28   1.123  -3.239  -9.082
  205   HD13  LEU  28          3HD1      LEU  28   1.965  -1.743  -8.623
  206   HD21  LEU  28          3HD2      LEU  28  -0.492  -0.033  -7.973
  207   HD22  LEU  28          1HD2      LEU  28   0.849   0.483  -9.005
  208   HD23  LEU  28          2HD2      LEU  28  -0.821   0.550  -9.613
  209    H    LEU  29           H        LEU  29   2.839   0.679  -9.955
  210    HA   LEU  29           HA       LEU  29   4.920  -1.419  -9.713
  211    HB2  LEU  29           2HB      LEU  29   5.649   0.233 -11.455
  212    HB3  LEU  29           3HB      LEU  29   5.398   1.538 -10.298
  213    HG   LEU  29           HG       LEU  29   7.197   0.570  -8.843
  214   HD11  LEU  29          1HD1      LEU  29   7.612  -1.361 -11.171
  215   HD12  LEU  29          2HD1      LEU  29   8.727  -1.132  -9.807
  216   HD13  LEU  29          3HD1      LEU  29   7.124  -1.804  -9.522
  217   HD21  LEU  29          3HD2      LEU  29   7.686   2.350 -10.471
  218   HD22  LEU  29          1HD2      LEU  29   9.063   1.255 -10.281
  219   HD23  LEU  29          2HD2      LEU  29   8.024   1.131 -11.719
  220    H    LEU  30           H        LEU  30   5.917  -1.369  -7.642
  221    HA   LEU  30           HA       LEU  30   4.728   0.460  -5.618
  222    HB2  LEU  30           2HB      LEU  30   5.385  -2.483  -5.242
  223    HB3  LEU  30           3HB      LEU  30   4.736  -1.379  -4.039
  224    HG   LEU  30           HG       LEU  30   3.268  -2.392  -6.504
  225   HD11  LEU  30          1HD1      LEU  30   3.619  -4.069  -4.721
  226   HD12  LEU  30          2HD1      LEU  30   2.840  -2.985  -3.549
  227   HD13  LEU  30          3HD1      LEU  30   1.911  -3.646  -4.909
  228   HD21  LEU  30          3HD2      LEU  30   1.234  -1.370  -5.365
  229   HD22  LEU  30          1HD2      LEU  30   2.348  -0.493  -4.300
  230   HD23  LEU  30          2HD2      LEU  30   2.367  -0.224  -6.066
  231    H    LYS  31           H        LYS  31   6.163   0.830  -3.781
  232    HA   LYS  31           HA       LYS  31   8.992   0.036  -4.053
  233    HB2  LYS  31           2HB      LYS  31   9.776   2.369  -3.834
  234    HB3  LYS  31           3HB      LYS  31   8.920   2.068  -5.327
  235    HG2  LYS  31           2HG      LYS  31   8.186   4.160  -4.724
  236    HG3  LYS  31           3HG      LYS  31   6.843   3.144  -4.216
  237    HD2  LYS  31           2HD      LYS  31   7.573   3.300  -1.873
  238    HD3  LYS  31           3HD      LYS  31   9.011   4.203  -2.352
  239    HE2  LYS  31           2HE      LYS  31   6.148   5.111  -2.903
  240    HE3  LYS  31           3HE      LYS  31   7.021   5.531  -1.426
  241    HZ1  LYS  31           3HZ      LYS  31   7.965   6.268  -4.143
  242    HZ2  LYS  31           1HZ      LYS  31   7.159   7.266  -3.138
  243    HZ3  LYS  31           2HZ      LYS  31   8.636   6.729  -2.713
  244    H    LEU  32           H        LEU  32  10.227   0.723  -2.045
  245    HA   LEU  32           HA       LEU  32   8.516   0.371   0.374
  246    HB2  LEU  32           2HB      LEU  32  10.262  -1.291   0.126
  247    HB3  LEU  32           3HB      LEU  32  11.467  -0.055  -0.237
  248    HG   LEU  32           HG       LEU  32  11.333   0.794   2.092
  249   HD11  LEU  32          1HD1      LEU  32   9.102   0.237   2.804
  250   HD12  LEU  32          2HD1      LEU  32   9.343  -1.482   2.441
  251   HD13  LEU  32          3HD1      LEU  32  10.203  -0.719   3.799
  252   HD21  LEU  32          3HD2      LEU  32  12.477  -1.099   3.129
  253   HD22  LEU  32          1HD2      LEU  32  11.853  -2.200   1.877
  254   HD23  LEU  32          2HD2      LEU  32  12.992  -0.908   1.451
  255    H    HIS  33           H        HIS  33   8.189   2.159   1.639
  256    HA   HIS  33           HA       HIS  33  10.345   4.134   2.003
  257    HB2  HIS  33           2HB      HIS  33   7.601   4.779   0.894
  258    HB3  HIS  33           3HB      HIS  33   8.301   5.857   2.087
  259    HD1  HIS  33           1HD      HIS  33  10.862   4.506  -0.349
  260    HD2  HIS  33           2HD      HIS  33   8.234   7.759   0.135
  261    HE1  HIS  33           1HE      HIS  33  11.640   6.306  -1.985
  262    H    ASP  34           H        ASP  34  10.428   4.701   4.139
  263    HA   ASP  34           HA       ASP  34  10.118   4.487   6.366
  264    HB2  ASP  34           2HB      ASP  34   8.872   6.490   5.689
  265    HB3  ASP  34           3HB      ASP  34   7.391   5.539   5.565
  266    H    GLU  35           H        GLU  35  10.036   2.001   5.505
  267    HA   GLU  35           HA       GLU  35   9.408  -0.118   5.916
  268    HB2  GLU  35           2HB      GLU  35   8.379   1.094   8.513
  269    HB3  GLU  35           3HB      GLU  35   8.581  -0.625   8.233
  270    HG2  GLU  35           2HG      GLU  35  10.817   1.441   8.187
  271    HG3  GLU  35           3HG      GLU  35  10.455   0.322   9.497
  272    H    ARG  36           H        ARG  36   7.458   1.486   4.356
  273    HA   ARG  36           HA       ARG  36   5.255  -0.498   4.557
  274    HB2  ARG  36           2HB      ARG  36   5.004   2.503   4.039
  275    HB3  ARG  36           3HB      ARG  36   3.698   1.342   3.813
  276    HG2  ARG  36           2HG      ARG  36   5.027   2.009   6.472
  277    HG3  ARG  36           3HG      ARG  36   3.478   2.629   5.900
  278    HD2  ARG  36           2HD      ARG  36   2.547   0.349   5.838
  279    HD3  ARG  36           3HD      ARG  36   4.089  -0.314   6.370
  280    HE   ARG  36           HE       ARG  36   2.074   1.066   7.963
  281   HH11  ARG  36          1HH2      ARG  36   5.487  -0.000   7.915
  282   HH12  ARG  36          2HH2      ARG  36   5.641   0.041   9.637
  283   HH21  ARG  36          1HH1      ARG  36   2.318   1.117  10.238
  284   HH22  ARG  36          2HH1      ARG  36   3.813   0.690  10.975
  285    H    VAL  37           H        VAL  37   4.411  -1.103   2.505
  286    HA   VAL  37           HA       VAL  37   6.114  -0.298   0.209
  287    HB   VAL  37           HB       VAL  37   4.157  -2.599   0.551
  288   HG11  VAL  37          1HG1      VAL  37   4.885  -3.287  -1.733
  289   HG12  VAL  37          2HG1      VAL  37   3.990  -1.766  -1.758
  290   HG13  VAL  37          3HG1      VAL  37   5.762  -1.748  -1.901
  291   HG21  VAL  37          3HG2      VAL  37   6.265  -3.920   0.123
  292   HG22  VAL  37          1HG2      VAL  37   7.189  -2.412   0.160
  293   HG23  VAL  37          2HG2      VAL  37   6.335  -2.971   1.612
  294    H    LEU  38           H        LEU  38   5.378   1.138  -1.190
  295    HA   LEU  38           HA       LEU  38   2.578   2.118  -0.979
  296    HB2  LEU  38           2HB      LEU  38   5.225   3.566  -0.869
  297    HB3  LEU  38           3HB      LEU  38   3.914   4.326  -1.754
  298    HG   LEU  38           HG       LEU  38   2.476   4.333   0.225
  299   HD11  LEU  38          1HD1      LEU  38   3.266   2.447   1.524
  300   HD12  LEU  38          2HD1      LEU  38   4.892   3.159   1.663
  301   HD13  LEU  38          3HD1      LEU  38   3.496   3.908   2.476
  302   HD21  LEU  38          3HD2      LEU  38   3.978   6.249  -0.304
  303   HD22  LEU  38          1HD2      LEU  38   3.684   6.088   1.430
  304   HD23  LEU  38          2HD2      LEU  38   5.229   5.545   0.740
  305    H    VAL  39           H        VAL  39   1.720   2.992  -2.925
  306    HA   VAL  39           HA       VAL  39   2.573   1.781  -5.392
  307    HB   VAL  39           HB       VAL  39   0.647   4.061  -4.830
  308   HG11  VAL  39          1HG1      VAL  39   1.317   4.080  -7.210
  309   HG12  VAL  39          2HG1      VAL  39   0.980   2.342  -7.337
  310   HG13  VAL  39          3HG1      VAL  39  -0.340   3.497  -7.056
  311   HG21  VAL  39          3HG2      VAL  39   0.091   1.093  -5.267
  312   HG22  VAL  39          1HG2      VAL  39  -0.071   1.962  -3.727
  313   HG23  VAL  39          2HG2      VAL  39  -1.132   2.366  -5.076
  314    H    ALA  40           H        ALA  40   4.168   2.381  -6.662
  315    HA   ALA  40           HA       ALA  40   5.560   4.956  -6.284
  316    HB1  ALA  40           3HB      ALA  40   6.794   2.715  -6.460
  317    HB2  ALA  40           1HB      ALA  40   6.224   2.613  -8.128
  318    HB3  ALA  40           2HB      ALA  40   7.300   3.935  -7.647
  319    H    PHE  41           H        PHE  41   3.690   3.128  -8.712
  320    HA   PHE  41           HA       PHE  41   2.989   5.536 -10.159
  321    HB2  PHE  41           2HB      PHE  41   5.327   4.808 -11.047
  322    HB3  PHE  41           3HB      PHE  41   4.516   3.396 -11.700
  323    HD1  PHE  41           1HD      PHE  41   4.822   7.095 -11.847
  324    HD2  PHE  41           2HD      PHE  41   3.092   3.604 -13.706
  325    HE1  PHE  41           1HE      PHE  41   4.262   8.440 -13.857
  326    HE2  PHE  41           2HE      PHE  41   2.501   4.961 -15.694
  327    HZ   PHE  41           HZ       PHE  41   3.093   7.376 -15.784
  328    H    GLY  42           H        GLY  42   1.304   5.032 -11.724
  329    HA2  GLY  42           2HA      GLY  42   0.232   3.010 -12.886
  330    HA3  GLY  42           3HA      GLY  42  -0.114   2.441 -11.241
  331    H    GLN  43           H        GLN  43  -0.257   5.713 -11.051
  332    HA   GLN  43           HA       GLN  43  -3.029   5.926 -10.657
  333    HB2  GLN  43           2HB      GLN  43  -2.576   8.235 -10.289
  334    HB3  GLN  43           3HB      GLN  43  -1.218   7.342  -9.647
  335    HG2  GLN  43           2HG      GLN  43  -1.295   8.974 -12.216
  336    HG3  GLN  43           3HG      GLN  43  -0.457   9.379 -10.734
  337   HE21  GLN  43          2HE2      GLN  43   0.570   8.997 -13.583
  338   HE22  GLN  43          1HE2      GLN  43   1.869   7.835 -13.397
  339    H    ARG  44           H        ARG  44  -4.728   6.652 -11.893
  340    HA   ARG  44           HA       ARG  44  -4.431   6.818 -14.776
  341    HB2  ARG  44           2HB      ARG  44  -6.497   5.970 -13.783
  342    HB3  ARG  44           3HB      ARG  44  -6.739   7.468 -12.884
  343    HG2  ARG  44           2HG      ARG  44  -8.243   7.310 -14.814
  344    HG3  ARG  44           3HG      ARG  44  -7.184   8.707 -14.927
  345    HD2  ARG  44           2HD      ARG  44  -5.694   7.334 -16.501
  346    HD3  ARG  44           3HD      ARG  44  -6.917   6.069 -16.433
  347    HE   ARG  44           HE       ARG  44  -8.290   7.294 -17.804
  348   HH11  ARG  44          1HH1      ARG  44  -5.644   9.445 -16.721
  349   HH12  ARG  44          2HH1      ARG  44  -5.996  10.661 -17.897
  350   HH21  ARG  44          1HH2      ARG  44  -8.750   8.943 -19.327
  351   HH22  ARG  44          2HH2      ARG  44  -7.803  10.380 -19.387
  352    H    ASP  45           H        ASP  45  -4.390   9.116 -12.104
  353    HA   ASP  45           HA       ASP  45  -3.522  11.263 -13.928
  354    HB2  ASP  45           2HB      ASP  45  -5.945  11.556 -13.948
  355    HB3  ASP  45           3HB      ASP  45  -6.007  11.491 -12.186
  356    H    GLY  46           H        GLY  46  -4.270  10.252 -10.536
  357    HA2  GLY  46           2HA      GLY  46  -1.672  11.005  -9.598
  358    HA3  GLY  46           3HA      GLY  46  -2.831  12.280  -9.217
  359    H    ILE  47           H        ILE  47  -5.098  10.460  -8.775
  360    HA   ILE  47           HA       ILE  47  -4.776  10.122  -6.014
  361    HB   ILE  47           HB       ILE  47  -7.109   9.339  -6.075
  362   HG12  ILE  47          2HG1      ILE  47  -6.915   9.471  -9.126
  363   HG13  ILE  47          3HG1      ILE  47  -6.947   7.974  -8.197
  364   HG21  ILE  47          1HG2      ILE  47  -6.474  11.760  -6.185
  365   HG22  ILE  47          2HG2      ILE  47  -6.686  11.708  -7.948
  366   HG23  ILE  47          3HG2      ILE  47  -8.059  11.403  -6.868
  367   HD11  ILE  47          3HD1      ILE  47  -9.180  10.034  -8.348
  368   HD12  ILE  47          1HD1      ILE  47  -9.158   8.406  -9.040
  369   HD13  ILE  47          2HD1      ILE  47  -9.184   8.609  -7.277
  370    H    ARG  48           H        ARG  48  -2.830   8.337  -7.175
  371    HA   ARG  48           HA       ARG  48  -3.683   5.835  -5.835
  372    HB2  ARG  48           2HB      ARG  48  -3.891   5.839  -8.553
  373    HB3  ARG  48           3HB      ARG  48  -2.178   5.458  -8.400
  374    HG2  ARG  48           2HG      ARG  48  -3.045   3.340  -8.404
  375    HG3  ARG  48           3HG      ARG  48  -3.051   3.626  -6.666
  376    HD2  ARG  48           2HD      ARG  48  -5.399   3.868  -8.607
  377    HD3  ARG  48           3HD      ARG  48  -5.152   2.618  -7.387
  378    HE   ARG  48           HE       ARG  48  -5.504   5.511  -6.664
  379   HH11  ARG  48          1HH2      ARG  48  -6.787   2.207  -6.385
  380   HH12  ARG  48          2HH2      ARG  48  -7.767   2.589  -4.994
  381   HH21  ARG  48          1HH1      ARG  48  -6.736   5.974  -4.879
  382   HH22  ARG  48          2HH1      ARG  48  -7.748   4.746  -4.134
  383    H    VAL  49           H        VAL  49  -0.923   7.706  -7.259
  384    HA   VAL  49           HA       VAL  49   1.050   6.106  -5.956
  385    HB   VAL  49           HB       VAL  49   2.494   8.170  -6.177
  386   HG11  VAL  49          1HG1      VAL  49   1.086   7.090  -8.655
  387   HG12  VAL  49          2HG1      VAL  49   2.671   7.893  -8.622
  388   HG13  VAL  49          3HG1      VAL  49   2.448   6.344  -7.798
  389   HG21  VAL  49          3HG2      VAL  49   0.652   9.896  -6.203
  390   HG22  VAL  49          1HG2      VAL  49   1.776  10.010  -7.565
  391   HG23  VAL  49          2HG2      VAL  49   0.174   9.302  -7.809
  392    H    GLY  50           H        GLY  50   2.092   6.293  -3.991
  393    HA2  GLY  50           2HA      GLY  50   2.446   7.039  -1.832
  394    HA3  GLY  50           3HA      GLY  50   1.219   8.291  -2.037
  395    H    HIS  51           H        HIS  51  -0.521   5.669  -3.020
  396    HA   HIS  51           HA       HIS  51  -1.746   5.167  -0.416
  397    HB2  HIS  51           2HB      HIS  51  -2.064   3.880  -3.160
  398    HB3  HIS  51           3HB      HIS  51  -2.897   3.308  -1.719
  399    HD1  HIS  51           1HD      HIS  51  -2.670   6.655  -3.683
  400    HD2  HIS  51           2HD      HIS  51  -5.058   4.496  -0.998
  401    HE1  HIS  51           1HE      HIS  51  -4.819   8.017  -3.392
  402    H    ALA  52           H        ALA  52  -1.725   3.023   0.601
  403    HA   ALA  52           HA       ALA  52   0.962   1.739   0.401
  404    HB1  ALA  52           3HB      ALA  52   0.783   3.342   2.260
  405    HB2  ALA  52           1HB      ALA  52  -0.705   2.546   2.820
  406    HB3  ALA  52           2HB      ALA  52   0.849   1.676   2.882
  407    H    VAL  53           H        VAL  53   1.041  -0.450   0.667
  408    HA   VAL  53           HA       VAL  53  -1.355  -2.051   0.354
  409    HB   VAL  53           HB       VAL  53   1.524  -2.811   1.035
  410   HG11  VAL  53          1HG1      VAL  53   0.053  -4.664   1.647
  411   HG12  VAL  53          2HG1      VAL  53  -0.800  -4.544   0.094
  412   HG13  VAL  53          3HG1      VAL  53   0.898  -5.064   0.155
  413   HG21  VAL  53          3HG2      VAL  53   1.691  -3.425  -1.364
  414   HG22  VAL  53          1HG2      VAL  53   0.059  -2.781  -1.644
  415   HG23  VAL  53          2HG2      VAL  53   1.386  -1.700  -1.166
  416    H    LEU  54           H        LEU  54  -2.363  -3.348   1.916
  417    HA   LEU  54           HA       LEU  54  -1.643  -2.889   4.779
  418    HB2  LEU  54           2HB      LEU  54  -4.401  -2.838   3.496
  419    HB3  LEU  54           3HB      LEU  54  -4.102  -2.834   5.229
  420    HG   LEU  54           HG       LEU  54  -3.126  -0.645   3.335
  421   HD11  LEU  54          1HD1      LEU  54  -4.963   0.710   4.252
  422   HD12  LEU  54          2HD1      LEU  54  -5.568  -0.717   3.394
  423   HD13  LEU  54          3HD1      LEU  54  -5.542  -0.702   5.171
  424   HD21  LEU  54          3HD2      LEU  54  -1.783  -0.753   5.401
  425   HD22  LEU  54          1HD2      LEU  54  -2.821   0.672   5.413
  426   HD23  LEU  54          2HD2      LEU  54  -3.265  -0.750   6.384
  427    H    ALA  55           H        ALA  55  -3.129  -5.094   2.315
  428    HA   ALA  55           HA       ALA  55  -2.002  -7.279   3.870
  429    HB1  ALA  55           3HB      ALA  55  -4.335  -7.088   4.825
  430    HB2  ALA  55           1HB      ALA  55  -4.969  -7.384   3.188
  431    HB3  ALA  55           2HB      ALA  55  -4.012  -8.626   4.009
  432    H    ILE  56           H        ILE  56  -1.918  -9.266   2.614
  433    HA   ILE  56           HA       ILE  56  -2.710  -9.080  -0.253
  434    HB   ILE  56           HB       ILE  56  -0.013 -10.108   0.727
  435   HG12  ILE  56          2HG1      ILE  56  -0.583  -7.733  -1.106
  436   HG13  ILE  56          3HG1      ILE  56  -0.215  -7.571   0.611
  437   HG21  ILE  56          1HG2      ILE  56   0.413 -10.497  -1.721
  438   HG22  ILE  56          2HG2      ILE  56  -0.944 -11.448  -1.140
  439   HG23  ILE  56          3HG2      ILE  56  -1.253  -9.980  -2.070
  440   HD11  ILE  56          3HD1      ILE  56   1.680  -8.708  -1.463
  441   HD12  ILE  56          1HD1      ILE  56   1.752  -7.142  -0.649
  442   HD13  ILE  56          2HD1      ILE  56   1.975  -8.635   0.289
  443    H    ASN  57           H        ASN  57  -3.730 -10.904  -0.856
  444    HA   ASN  57           HA       ASN  57  -5.160 -12.581  -0.519
  445    HB2  ASN  57           2HB      ASN  57  -4.178 -14.776  -0.505
  446    HB3  ASN  57           3HB      ASN  57  -3.284 -13.679  -1.528
  447   HD21  ASN  57          2HD2      ASN  57  -1.095 -13.950  -1.390
  448   HD22  ASN  57          1HD2      ASN  57  -0.226 -14.530   0.006
  449    H    GLY  58           H        GLY  58  -4.819 -10.998   1.955
  450    HA2  GLY  58           2HA      GLY  58  -6.335 -11.143   3.774
  451    HA3  GLY  58           3HA      GLY  58  -6.165 -12.900   3.801
  452    H    MET  59           H        MET  59  -3.030 -12.152   3.441
  453    HA   MET  59           HA       MET  59  -2.391 -12.161   6.304
  454    HB2  MET  59           2HB      MET  59  -0.635 -11.989   3.811
  455    HB3  MET  59           3HB      MET  59  -0.059 -11.983   5.474
  456    HG2  MET  59           2HG      MET  59  -1.147 -14.219   5.818
  457    HG3  MET  59           3HG      MET  59  -1.543 -14.241   4.094
  458    HE1  MET  59           3HE      MET  59   0.064 -16.563   5.586
  459    HE2  MET  59           1HE      MET  59  -0.336 -16.584   3.852
  460    HE3  MET  59           2HE      MET  59   1.329 -16.906   4.385
  461    H    ASP  60           H        ASP  60  -2.844 -10.272   7.281
  462    HA   ASP  60           HA       ASP  60  -2.589  -7.603   6.276
  463    HB2  ASP  60           2HB      ASP  60  -3.821  -8.090   8.310
  464    HB3  ASP  60           3HB      ASP  60  -2.397  -8.799   9.068
  465    H    VAL  61           H        VAL  61  -0.704  -6.490   5.753
  466    HA   VAL  61           HA       VAL  61   1.755  -8.040   6.009
  467    HB   VAL  61           HB       VAL  61   2.827  -6.329   4.666
  468   HG11  VAL  61          1HG1      VAL  61   1.587  -6.763   2.584
  469   HG12  VAL  61          2HG1      VAL  61   1.681  -8.213   3.589
  470   HG13  VAL  61          3HG1      VAL  61   0.171  -7.296   3.507
  471   HG21  VAL  61          3HG2      VAL  61   1.622  -4.286   5.338
  472   HG22  VAL  61          1HG2      VAL  61   1.643  -4.513   3.591
  473   HG23  VAL  61          2HG2      VAL  61   0.172  -4.875   4.507
  474    H    ASN  62           H        ASN  62   3.400  -7.736   7.307
  475    HA   ASN  62           HA       ASN  62   3.272  -5.920   9.619
  476    HB2  ASN  62           2HB      ASN  62   4.091  -8.201   9.996
  477    HB3  ASN  62           3HB      ASN  62   5.274  -8.023   8.698
  478   HD21  ASN  62          2HD2      ASN  62   7.106  -8.373  10.090
  479   HD22  ASN  62          1HD2      ASN  62   7.587  -7.199  11.284
  480    H    GLY  63           H        GLY  63   3.121  -4.123   8.059
  481    HA2  GLY  63           2HA      GLY  63   3.979  -2.188   7.284
  482    HA3  GLY  63           3HA      GLY  63   5.589  -2.697   7.808
  483    H    ARG  64           H        ARG  64   6.619  -4.397   6.403
  484    HA   ARG  64           HA       ARG  64   5.935  -4.222   3.525
  485    HB2  ARG  64           2HB      ARG  64   8.328  -3.874   2.949
  486    HB3  ARG  64           3HB      ARG  64   7.590  -2.505   3.762
  487    HG2  ARG  64           2HG      ARG  64   9.017  -2.552   5.466
  488    HG3  ARG  64           3HG      ARG  64   8.880  -4.284   5.715
  489    HD2  ARG  64           2HD      ARG  64  10.636  -4.801   4.242
  490    HD3  ARG  64           3HD      ARG  64  10.523  -3.252   3.397
  491    HE   ARG  64           HE       ARG  64  11.128  -2.682   6.085
  492   HH11  ARG  64          1HH1      ARG  64  12.825  -4.394   3.429
  493   HH12  ARG  64          2HH1      ARG  64  14.368  -3.756   3.883
  494   HH21  ARG  64          1HH2      ARG  64  13.099  -1.759   6.551
  495   HH22  ARG  64          2HH2      ARG  64  14.549  -2.304   5.760
  496    H    TYR  65           H        TYR  65   6.084  -6.286   5.978
  497    HA   TYR  65           HA       TYR  65   7.173  -8.445   4.240
  498    HB2  TYR  65           2HB      TYR  65   7.178  -8.316   7.275
  499    HB3  TYR  65           3HB      TYR  65   7.714  -9.674   6.297
  500    HD1  TYR  65           2HD      TYR  65   9.841  -9.589   5.043
  501    HD2  TYR  65           1HD      TYR  65   8.548  -6.264   7.467
  502    HE1  TYR  65           2HE      TYR  65  12.103  -8.594   4.878
  503    HE2  TYR  65           1HE      TYR  65  10.802  -5.246   7.283
  504    HH   TYR  65           HH       TYR  65  13.000  -5.557   6.560
  505    H    THR  66           H        THR  66   5.843 -10.472   4.333
  506    HA   THR  66           HA       THR  66   3.021  -9.947   4.749
  507    HB   THR  66           HB       THR  66   2.785 -12.381   4.325
  508    HG1  THR  66           1HG      THR  66   4.617 -13.549   3.769
  509   HG21  THR  66          3HG2      THR  66   4.626 -10.998   2.317
  510   HG22  THR  66          1HG2      THR  66   3.532 -12.362   2.001
  511   HG23  THR  66          2HG2      THR  66   2.861 -10.781   2.432
  512    H    ALA  67           H        ALA  67   1.783 -11.633   6.127
  513    HA   ALA  67           HA       ALA  67   2.429 -11.452   8.894
  514    HB1  ALA  67           3HB      ALA  67   0.730 -13.455   7.353
  515    HB2  ALA  67           1HB      ALA  67   0.661 -13.187   9.111
  516    HB3  ALA  67           2HB      ALA  67   0.158 -11.891   8.000
  517    H    ASP  68           H        ASP  68   3.105 -13.899   6.396
  518    HA   ASP  68           HA       ASP  68   4.341 -15.832   8.140
  519    HB2  ASP  68           2HB      ASP  68   3.420 -16.441   5.950
  520    HB3  ASP  68           3HB      ASP  68   4.605 -15.413   5.139
  521    H    GLY  69           H        GLY  69   5.582 -13.089   6.207
  522    HA2  GLY  69           2HA      GLY  69   7.348 -11.835   7.348
  523    HA3  GLY  69           3HA      GLY  69   8.221 -13.344   7.611
  524    H    LYS  70           H        LYS  70   6.766 -13.250   4.484
  525    HA   LYS  70           HA       LYS  70   9.338 -13.100   3.106
  526    HB2  LYS  70           2HB      LYS  70   6.485 -12.887   2.015
  527    HB3  LYS  70           3HB      LYS  70   7.934 -13.220   1.074
  528    HG2  LYS  70           2HG      LYS  70   6.769 -15.071   3.211
  529    HG3  LYS  70           3HG      LYS  70   6.493 -15.218   1.483
  530    HD2  LYS  70           2HD      LYS  70   8.883 -15.586   1.073
  531    HD3  LYS  70           3HD      LYS  70   9.224 -15.413   2.815
  532    HE2  LYS  70           2HE      LYS  70   7.724 -17.334   3.291
  533    HE3  LYS  70           3HE      LYS  70   7.406 -17.519   1.561
  534    HZ1  LYS  70           3HZ      LYS  70  10.056 -17.839   2.851
  535    HZ2  LYS  70           1HZ      LYS  70   9.108 -19.049   2.316
  536    HZ3  LYS  70           2HZ      LYS  70   9.765 -18.009   1.250
  537    H    GLU  71           H        GLU  71  10.207 -11.160   2.109
  538    HA   GLU  71           HA       GLU  71   9.019  -8.635   2.916
  539    HB2  GLU  71           2HB      GLU  71  11.465  -8.888   2.543
  540    HB3  GLU  71           3HB      GLU  71  11.164  -9.148   0.812
  541    HG2  GLU  71           2HG      GLU  71  10.170  -6.916   0.604
  542    HG3  GLU  71           3HG      GLU  71  10.198  -6.704   2.358
  543    H    VAL  72           H        VAL  72   7.472  -7.536   1.862
  544    HA   VAL  72           HA       VAL  72   5.757  -8.869   0.127
  545    HB   VAL  72           HB       VAL  72   6.077  -5.991   0.986
  546   HG11  VAL  72          1HG1      VAL  72   3.953  -7.062  -0.889
  547   HG12  VAL  72          2HG1      VAL  72   3.750  -5.573   0.076
  548   HG13  VAL  72          3HG1      VAL  72   5.022  -5.681  -1.146
  549   HG21  VAL  72          3HG2      VAL  72   3.928  -8.072   1.565
  550   HG22  VAL  72          1HG2      VAL  72   5.305  -7.725   2.616
  551   HG23  VAL  72          2HG2      VAL  72   4.095  -6.470   2.317
  552    H    LEU  73           H        LEU  73   8.347  -6.530  -0.764
  553    HA   LEU  73           HA       LEU  73   7.498  -6.325  -3.498
  554    HB2  LEU  73           2HB      LEU  73  10.233  -5.891  -2.227
  555    HB3  LEU  73           3HB      LEU  73   9.850  -5.515  -3.903
  556    HG   LEU  73           HG       LEU  73   8.512  -4.231  -1.482
  557   HD11  LEU  73          1HD1      LEU  73   9.778  -2.221  -2.119
  558   HD12  LEU  73          2HD1      LEU  73  10.868  -3.562  -1.741
  559   HD13  LEU  73          3HD1      LEU  73  10.568  -3.117  -3.435
  560   HD21  LEU  73          3HD2      LEU  73   7.629  -2.588  -3.161
  561   HD22  LEU  73          1HD2      LEU  73   8.220  -3.639  -4.462
  562   HD23  LEU  73          2HD2      LEU  73   6.946  -4.202  -3.355
  563    H    GLU  74           H        GLU  74   9.713  -8.621  -1.844
  564    HA   GLU  74           HA       GLU  74  10.483  -9.919  -4.344
  565    HB2  GLU  74           2HB      GLU  74  10.726 -10.846  -1.444
  566    HB3  GLU  74           3HB      GLU  74  11.411 -11.663  -2.855
  567    HG2  GLU  74           2HG      GLU  74  12.674  -9.513  -3.370
  568    HG3  GLU  74           3HG      GLU  74  12.163  -8.914  -1.790
  569    H    TYR  75           H        TYR  75   8.087 -10.446  -1.750
  570    HA   TYR  75           HA       TYR  75   7.118 -12.960  -2.524
  571    HB2  TYR  75           2HB      TYR  75   6.666 -11.714  -0.394
  572    HB3  TYR  75           3HB      TYR  75   5.613 -10.625  -1.275
  573    HD1  TYR  75           1HD      TYR  75   6.091 -14.310  -0.689
  574    HD2  TYR  75           2HD      TYR  75   3.302 -11.053  -1.181
  575    HE1  TYR  75           1HE      TYR  75   4.244 -15.819  -0.071
  576    HE2  TYR  75           2HE      TYR  75   1.435 -12.560  -0.575
  577    HH   TYR  75           HH       TYR  75   1.944 -16.016   0.288
  578    H    LEU  76           H        LEU  76   6.016  -9.680  -3.522
  579    HA   LEU  76           HA       LEU  76   4.034 -10.708  -5.393
  580    HB2  LEU  76           2HB      LEU  76   5.284  -7.962  -4.943
  581    HB3  LEU  76           3HB      LEU  76   4.021  -8.268  -6.130
  582    HG   LEU  76           HG       LEU  76   3.677  -8.770  -3.134
  583   HD11  LEU  76          1HD1      LEU  76   2.316  -6.712  -3.145
  584   HD12  LEU  76          2HD1      LEU  76   3.992  -6.375  -3.605
  585   HD13  LEU  76          3HD1      LEU  76   2.725  -6.441  -4.851
  586   HD21  LEU  76          3HD2      LEU  76   1.239  -8.800  -3.752
  587   HD22  LEU  76          1HD2      LEU  76   1.717  -8.783  -5.459
  588   HD23  LEU  76          2HD2      LEU  76   2.153 -10.157  -4.418
  589    H    GLY  77           H        GLY  77   7.439  -9.617  -5.600
  590    HA2  GLY  77           2HA      GLY  77   7.601  -9.458  -8.421
  591    HA3  GLY  77           3HA      GLY  77   8.944  -9.688  -7.289
  592    H    ASN  78           H        ASN  78   7.916 -12.246  -6.216
  593    HA   ASN  78           HA       ASN  78   9.076 -14.128  -7.986
  594    HB2  ASN  78           2HB      ASN  78   8.895 -14.499  -5.582
  595    HB3  ASN  78           3HB      ASN  78   7.131 -14.458  -5.669
  596   HD21  ASN  78          2HD2      ASN  78   7.664 -16.619  -4.474
  597   HD22  ASN  78          1HD2      ASN  78   7.790 -18.025  -5.497
  598    HA   PRO  79           HA       PRO  79   5.432 -14.190 -10.616
  599    HB2  PRO  79           2HB      PRO  79   6.251 -15.700 -12.717
  600    HB3  PRO  79           3HB      PRO  79   6.783 -14.015 -12.418
  601    HG2  PRO  79           2HG      PRO  79   8.222 -16.589 -11.652
  602    HG3  PRO  79           3HG      PRO  79   8.904 -15.161 -12.496
  603    HD2  PRO  79           2HD      PRO  79   9.166 -15.526  -9.798
  604    HD3  PRO  79           3HD      PRO  79   8.958 -13.899 -10.509
  605    H    ALA  80           H        ALA  80   6.767 -17.012  -9.055
  606    HA   ALA  80           HA       ALA  80   4.643 -18.841  -9.731
  607    HB1  ALA  80           3HB      ALA  80   5.349 -20.041  -7.729
  608    HB2  ALA  80           1HB      ALA  80   6.797 -19.485  -8.595
  609    HB3  ALA  80           2HB      ALA  80   6.230 -18.625  -7.137
  610    H    ASN  81           H        ASN  81   4.704 -15.890  -7.978
  611    HA   ASN  81           HA       ASN  81   2.045 -16.320  -6.742
  612    HB2  ASN  81           2HB      ASN  81   3.929 -16.593  -5.099
  613    HB3  ASN  81           3HB      ASN  81   4.507 -14.988  -5.542
  614   HD21  ASN  81          2HD2      ASN  81   4.052 -13.610  -3.942
  615   HD22  ASN  81          1HD2      ASN  81   2.624 -13.622  -2.919
  616    H    TYR  82           H        TYR  82   2.946 -15.083  -9.353
  617    HA   TYR  82           HA       TYR  82   2.647 -12.228  -9.123
  618    HB2  TYR  82           2HB      TYR  82   2.465 -14.259 -11.339
  619    HB3  TYR  82           3HB      TYR  82   1.615 -12.753 -11.569
  620    HD1  TYR  82           2HD      TYR  82   4.600 -11.882  -9.741
  621    HD2  TYR  82           1HD      TYR  82   3.130 -13.048 -13.638
  622    HE1  TYR  82           2HE      TYR  82   6.505 -10.765 -10.791
  623    HE2  TYR  82           1HE      TYR  82   5.060 -11.937 -14.695
  624    HH   TYR  82           HH       TYR  82   7.598 -10.239 -12.785
  625    HA   PRO  83           HA       PRO  83  -1.978 -12.736  -9.776
  626    HB2  PRO  83           2HB      PRO  83  -3.300 -15.124  -9.504
  627    HB3  PRO  83           3HB      PRO  83  -2.593 -14.551 -11.045
  628    HG2  PRO  83           2HG      PRO  83  -1.393 -16.493  -9.052
  629    HG3  PRO  83           3HG      PRO  83  -1.479 -16.640 -10.835
  630    HD2  PRO  83           2HD      PRO  83   0.751 -15.761  -9.552
  631    HD3  PRO  83           3HD      PRO  83   0.268 -15.101 -11.142
  632    H    VAL  84           H        VAL  84  -2.785 -11.760  -8.005
  633    HA   VAL  84           HA       VAL  84  -2.980 -13.151  -5.410
  634    HB   VAL  84           HB       VAL  84  -1.858 -11.228  -4.277
  635   HG11  VAL  84          1HG1      VAL  84   0.420 -11.893  -4.597
  636   HG12  VAL  84          2HG1      VAL  84  -0.612 -13.330  -4.688
  637   HG13  VAL  84          3HG1      VAL  84   0.043 -12.607  -6.173
  638   HG21  VAL  84          3HG2      VAL  84  -0.850 -10.408  -7.036
  639   HG22  VAL  84          1HG2      VAL  84  -2.063  -9.536  -6.077
  640   HG23  VAL  84          2HG2      VAL  84  -0.415  -9.696  -5.477
  641    H    SER  85           H        SER  85  -3.991 -11.571  -3.791
  642    HA   SER  85           HA       SER  85  -5.760  -9.557  -5.031
  643    HB2  SER  85           2HB      SER  85  -6.538 -11.480  -2.797
  644    HB3  SER  85           3HB      SER  85  -7.533 -10.172  -3.465
  645    HG   SER  85           HG       SER  85  -8.040 -12.248  -4.344
  646    H    ILE  86           H        ILE  86  -5.745  -7.639  -3.787
  647    HA   ILE  86           HA       ILE  86  -3.916  -7.600  -1.433
  648    HB   ILE  86           HB       ILE  86  -3.835  -5.691  -3.806
  649   HG12  ILE  86          2HG1      ILE  86  -1.980  -7.990  -3.063
  650   HG13  ILE  86          3HG1      ILE  86  -2.930  -7.814  -4.536
  651   HG21  ILE  86          1HG2      ILE  86  -1.980  -5.880  -1.396
  652   HG22  ILE  86          2HG2      ILE  86  -1.822  -4.738  -2.744
  653   HG23  ILE  86          3HG2      ILE  86  -3.187  -4.606  -1.668
  654   HD11  ILE  86          3HD1      ILE  86  -0.685  -7.355  -5.124
  655   HD12  ILE  86          1HD1      ILE  86  -1.522  -5.791  -5.119
  656   HD13  ILE  86          2HD1      ILE  86  -0.454  -6.254  -3.765
  657    H    ARG  87           H        ARG  87  -4.360  -5.955   0.024
  658    HA   ARG  87           HA       ARG  87  -6.843  -4.343  -0.371
  659    HB2  ARG  87           2HB      ARG  87  -5.804  -5.427   2.292
  660    HB3  ARG  87           3HB      ARG  87  -7.270  -4.480   2.026
  661    HG2  ARG  87           2HG      ARG  87  -8.207  -6.341   0.660
  662    HG3  ARG  87           3HG      ARG  87  -6.751  -7.299   0.975
  663    HD2  ARG  87           2HD      ARG  87  -7.267  -7.118   3.446
  664    HD3  ARG  87           3HD      ARG  87  -8.831  -6.400   2.997
  665    HE   ARG  87           HE       ARG  87  -8.559  -8.755   1.476
  666   HH11  ARG  87          1HH1      ARG  87  -8.837  -8.040   4.958
  667   HH12  ARG  87          2HH1      ARG  87  -9.485  -9.595   5.328
  668   HH21  ARG  87          1HH2      ARG  87  -9.356 -10.647   1.903
  669   HH22  ARG  87          2HH2      ARG  87  -9.820 -11.177   3.511
  670    H    PHE  88           H        PHE  88  -6.385  -2.152  -0.086
  671    HA   PHE  88           HA       PHE  88  -3.856  -1.271   1.030
  672    HB2  PHE  88           2HB      PHE  88  -2.931  -0.388  -0.975
  673    HB3  PHE  88           3HB      PHE  88  -3.199  -2.089  -1.225
  674    HD1  PHE  88           1HD      PHE  88  -5.797  -2.501  -2.352
  675    HD2  PHE  88           2HD      PHE  88  -3.105   0.836  -2.908
  676    HE1  PHE  88           1HE      PHE  88  -6.875  -1.987  -4.506
  677    HE2  PHE  88           2HE      PHE  88  -4.196   1.339  -5.070
  678    HZ   PHE  88           HZ       PHE  88  -6.083  -0.075  -5.879
  679    H    GLY  89           H        GLY  89  -3.761   1.204   0.843
  680    HA2  GLY  89           2HA      GLY  89  -6.189   2.697   0.444
  681    HA3  GLY  89           3HA      GLY  89  -6.068   2.104   2.111
  682    H    ARG  90           H        ARG  90  -6.002   4.462   2.586
  683    HA   ARG  90           HA       ARG  90  -3.658   6.018   1.932
  684    HB2  ARG  90           2HB      ARG  90  -5.905   6.198   3.980
  685    HB3  ARG  90           3HB      ARG  90  -4.513   7.261   4.095
  686    HG2  ARG  90           2HG      ARG  90  -6.474   8.275   2.925
  687    HG3  ARG  90           3HG      ARG  90  -4.944   8.338   2.068
  688    HD2  ARG  90           2HD      ARG  90  -6.689   7.917   0.496
  689    HD3  ARG  90           3HD      ARG  90  -5.649   6.500   0.598
  690    HE   ARG  90           HE       ARG  90  -7.884   6.169   2.359
  691   HH11  ARG  90          1HH1      ARG  90  -7.099   6.242  -1.117
  692   HH12  ARG  90          2HH1      ARG  90  -8.415   5.224  -1.586
  693   HH21  ARG  90          1HH2      ARG  90  -9.605   4.748   1.724
  694   HH22  ARG  90          2HH2      ARG  90  -9.974   4.541   0.042
  695    HA   PRO  91           HA       PRO  91  -0.961   4.090   5.033
  696    HB2  PRO  91           2HB      PRO  91   0.892   6.094   5.376
  697    HB3  PRO  91           3HB      PRO  91   0.853   5.033   3.939
  698    HG2  PRO  91           2HG      PRO  91  -0.299   7.818   4.236
  699    HG3  PRO  91           3HG      PRO  91   0.694   7.165   2.894
  700    HD2  PRO  91           2HD      PRO  91  -2.032   7.319   2.770
  701    HD3  PRO  91           3HD      PRO  91  -1.134   5.973   2.005
  702    H    ARG  92           H        ARG  92  -0.237   4.644   7.311
  703    HA   ARG  92           HA       ARG  92  -0.873   5.044   9.430
  704    HB2  ARG  92           2HB      ARG  92   0.144   7.262   8.643
  705    HB3  ARG  92           3HB      ARG  92  -1.499   7.867   8.494
  706    HG2  ARG  92           2HG      ARG  92  -0.675   8.656  10.550
  707    HG3  ARG  92           3HG      ARG  92  -1.809   7.393  10.987
  708    HD2  ARG  92           2HD      ARG  92   0.128   5.800  11.245
  709    HD3  ARG  92           3HD      ARG  92   1.231   7.142  10.931
  710    HE   ARG  92           HE       ARG  92  -0.209   6.533  13.380
  711   HH11  ARG  92          1HH1      ARG  92   1.094   9.339  11.591
  712   HH12  ARG  92          2HH1      ARG  92   0.978  10.382  12.972
  713   HH21  ARG  92          1HH2      ARG  92   0.044   7.777  15.186
  714   HH22  ARG  92          2HH2      ARG  92   0.526   9.464  15.066
  715    H    LEU  93           H        LEU  93  -2.896   3.796   7.915
  716    HA   LEU  93           HA       LEU  93  -5.506   4.782   8.434
  717    HB2  LEU  93           2HB      LEU  93  -5.048   2.817   7.034
  718    HB3  LEU  93           3HB      LEU  93  -4.423   1.936   8.432
  719    HG   LEU  93           HG       LEU  93  -6.664   1.945   9.479
  720   HD11  LEU  93          1HD1      LEU  93  -8.650   2.640   8.152
  721   HD12  LEU  93          2HD1      LEU  93  -7.632   4.020   8.555
  722   HD13  LEU  93          3HD1      LEU  93  -7.571   3.339   6.917
  723   HD21  LEU  93          3HD2      LEU  93  -5.990   0.094   7.998
  724   HD22  LEU  93          1HD2      LEU  93  -7.733   0.388   7.898
  725   HD23  LEU  93          2HD2      LEU  93  -6.659   0.961   6.600
  726    H    THR  94           H        THR  94  -3.141   3.154  10.501
  727    HA   THR  94           HA       THR  94  -4.207   4.394  12.864
  728    HB   THR  94           HB       THR  94  -3.987   1.348  12.787
  729    HG1  THR  94           1HG      THR  94  -6.001   2.934  12.068
  730   HG21  THR  94          3HG2      THR  94  -3.531   2.233  15.035
  731   HG22  THR  94          1HG2      THR  94  -4.984   3.255  14.961
  732   HG23  THR  94          2HG2      THR  94  -5.126   1.484  15.014
  733    H    SER  95           H        SER  95  -2.399   4.405  14.490
  734    HA   SER  95           HA       SER  95   0.167   4.538  13.352
  735    HB2  SER  95           2HB      SER  95  -0.575   4.205  16.278
  736    HB3  SER  95           3HB      SER  95   0.887   4.974  15.632
  737    HG   SER  95           HG       SER  95  -1.184   6.231  16.270
  738    H    ASN  96           H        ASN  96  -1.491   1.682  14.494
  739    HA   ASN  96           HA       ASN  96   0.867   0.035  13.960
  740    HB2  ASN  96           2HB      ASN  96   1.084   0.345  16.396
  741    HB3  ASN  96           3HB      ASN  96  -0.636  -0.018  16.620
  742   HD21  ASN  96          2HD2      ASN  96   2.381  -1.468  15.245
  743   HD22  ASN  96          1HD2      ASN  96   1.964  -3.110  15.655
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1 -10.403  21.062  -5.720
    2    H2   MET   1           H2       MET   1 -11.600  20.505  -4.747
    3    H3   MET   1           H3       MET   1 -10.929  21.972  -4.468
    4    HA   MET   1           HA       MET   1 -10.145  20.405  -2.874
    5    HB2  MET   1           2HB      MET   1 -10.424  18.407  -4.284
    6    HB3  MET   1           3HB      MET   1  -9.040  18.885  -5.266
    7    HG2  MET   1           2HG      MET   1  -7.551  18.621  -3.312
    8    HG3  MET   1           3HG      MET   1  -8.940  18.324  -2.269
    9    HE1  MET   1           3HE      MET   1  -7.486  15.355  -5.541
   10    HE2  MET   1           1HE      MET   1  -8.599  16.666  -5.966
   11    HE3  MET   1           2HE      MET   1  -6.956  17.048  -5.404
   12    H    GLY   2           H        GLY   2  -7.378  20.138  -5.099
   13    HA2  GLY   2           2HA      GLY   2  -6.232  22.475  -5.467
   14    HA3  GLY   2           3HA      GLY   2  -6.076  22.392  -3.706
   15    H    HIS   3           H        HIS   3  -3.755  22.540  -4.778
   16    HA   HIS   3           HA       HIS   3  -2.501  20.233  -5.807
   17    HB2  HIS   3           2HB      HIS   3  -1.275  22.477  -4.155
   18    HB3  HIS   3           3HB      HIS   3  -0.410  21.375  -5.223
   19    HD1  HIS   3           1HD      HIS   3  -1.780  24.765  -5.323
   20    HD2  HIS   3           2HD      HIS   3  -1.476  21.496  -7.964
   21    HE1  HIS   3           1HE      HIS   3  -2.083  25.709  -7.665
   22    H    HIS   4           H        HIS   4  -3.673  20.716  -2.626
   23    HA   HIS   4           HA       HIS   4  -1.947  19.081  -1.080
   24    HB2  HIS   4           2HB      HIS   4  -3.765  20.593  -0.263
   25    HB3  HIS   4           3HB      HIS   4  -4.967  19.487  -0.926
   26    HD1  HIS   4           1HD      HIS   4  -5.989  18.106   1.003
   27    HD2  HIS   4           2HD      HIS   4  -1.916  19.054   1.533
   28    HE1  HIS   4           1HE      HIS   4  -5.319  17.170   3.282
   29    H    HIS   5           H        HIS   5  -4.272  18.263  -3.609
   30    HA   HIS   5           HA       HIS   5  -5.057  16.382  -4.486
   31    HB2  HIS   5           2HB      HIS   5  -2.305  15.413  -3.676
   32    HB3  HIS   5           3HB      HIS   5  -3.405  14.447  -4.638
   33    HD1  HIS   5           1HD      HIS   5  -1.325  17.666  -4.981
   34    HD2  HIS   5           2HD      HIS   5  -3.814  15.074  -7.180
   35    HE1  HIS   5           1HE      HIS   5  -1.008  18.273  -7.435
   36    H    HIS   6           H        HIS   6  -5.581  16.769  -1.490
   37    HA   HIS   6           HA       HIS   6  -6.885  14.184  -1.045
   38    HB2  HIS   6           2HB      HIS   6  -4.974  15.456   0.976
   39    HB3  HIS   6           3HB      HIS   6  -6.042  14.102   1.304
   40    HD1  HIS   6           1HD      HIS   6  -2.782  14.907  -0.567
   41    HD2  HIS   6           2HD      HIS   6  -5.262  11.685   0.520
   42    HE1  HIS   6           1HE      HIS   6  -1.408  12.782  -0.940
   43    H    HIS   7           H        HIS   7  -8.487  14.417   0.707
   44    HA   HIS   7           HA       HIS   7  -9.022  17.066   1.796
   45    HB2  HIS   7           2HB      HIS   7 -11.403  17.006   1.176
   46    HB3  HIS   7           3HB      HIS   7 -10.384  17.101  -0.252
   47    HD1  HIS   7           1HD      HIS   7 -12.584  14.489   1.617
   48    HD2  HIS   7           2HD      HIS   7 -10.578  15.149  -2.036
   49    HE1  HIS   7           1HE      HIS   7 -13.300  12.621   0.050
   50    H    HIS   8           H        HIS   8 -10.794  16.758   3.530
   51    HA   HIS   8           HA       HIS   8 -10.180  14.541   5.231
   52    HB2  HIS   8           2HB      HIS   8 -12.327  15.371   6.417
   53    HB3  HIS   8           3HB      HIS   8 -10.912  16.408   6.370
   54    HD1  HIS   8           1HD      HIS   8 -11.291  18.824   5.458
   55    HD2  HIS   8           2HD      HIS   8 -14.333  16.084   4.467
   56    HE1  HIS   8           1HE      HIS   8 -13.120  20.166   4.307
   57    H    LEU   9           H        LEU   9 -10.986  12.525   5.263
   58    HA   LEU   9           HA       LEU   9 -13.203  11.741   3.465
   59    HB2  LEU   9           2HB      LEU   9 -11.450  10.097   5.339
   60    HB3  LEU   9           3HB      LEU   9 -12.693   9.456   4.260
   61    HG   LEU   9           HG       LEU   9 -10.125  10.863   3.419
   62   HD11  LEU   9          1HD1      LEU   9  -9.526   8.671   2.487
   63   HD12  LEU   9          2HD1      LEU   9  -9.828   8.557   4.229
   64   HD13  LEU   9          3HD1      LEU   9 -11.058   7.988   3.079
   65   HD21  LEU   9          3HD2      LEU   9 -10.776  10.245   1.090
   66   HD22  LEU   9          1HD2      LEU   9 -12.385   9.784   1.690
   67   HD23  LEU   9          2HD2      LEU   9 -11.824  11.469   1.804
   68    H    ASP  10           H        ASP  10 -14.387  13.411   4.730
   69    HA   ASP  10           HA       ASP  10 -15.293  12.757   7.430
   70    HB2  ASP  10           2HB      ASP  10 -14.991  15.083   6.774
   71    HB3  ASP  10           3HB      ASP  10 -16.165  14.903   5.465
   72    H    SER  11           H        SER  11 -15.864  10.531   6.524
   73    HA   SER  11           HA       SER  11 -18.741  10.336   5.915
   74    HB2  SER  11           2HB      SER  11 -18.050   8.761   3.974
   75    HB3  SER  11           3HB      SER  11 -17.960  10.502   3.698
   76    HG   SER  11           HG       SER  11 -15.730   8.937   4.530
   77    H    TYR  12           H        TYR  12 -19.513   8.135   6.142
   78    HA   TYR  12           HA       TYR  12 -17.974   6.481   8.032
   79    HB2  TYR  12           2HB      TYR  12 -20.025   5.154   8.151
   80    HB3  TYR  12           3HB      TYR  12 -20.336   6.850   8.458
   81    HD1  TYR  12           2HD      TYR  12 -20.759   4.087   5.991
   82    HD2  TYR  12           1HD      TYR  12 -21.793   8.159   7.002
   83    HE1  TYR  12           2HE      TYR  12 -22.481   4.082   4.219
   84    HE2  TYR  12           1HE      TYR  12 -23.518   8.161   5.227
   85    HH   TYR  12           HH       TYR  12 -24.141   5.305   3.131
   86    H    ALA  13           H        ALA  13 -18.303   6.738   4.618
   87    HA   ALA  13           HA       ALA  13 -18.507   4.088   3.802
   88    HB1  ALA  13           3HB      ALA  13 -17.596   4.912   1.641
   89    HB2  ALA  13           1HB      ALA  13 -18.842   5.985   2.301
   90    HB3  ALA  13           2HB      ALA  13 -17.125   6.433   2.429
   91    HA   PRO  14           HA       PRO  14 -14.478   2.298   4.709
   92    HB2  PRO  14           2HB      PRO  14 -14.893   0.823   2.107
   93    HB3  PRO  14           3HB      PRO  14 -14.398   0.176   3.701
   94    HG2  PRO  14           2HG      PRO  14 -16.945  -0.119   2.836
   95    HG3  PRO  14           3HG      PRO  14 -16.627   0.348   4.539
   96    HD2  PRO  14           2HD      PRO  14 -17.410   2.128   2.219
   97    HD3  PRO  14           3HD      PRO  14 -18.023   2.097   3.901
   98    H    ARG  15           H        ARG  15 -14.840   4.465   2.169
   99    HA   ARG  15           HA       ARG  15 -12.856   3.834   0.341
  100    HB2  ARG  15           2HB      ARG  15 -13.060   6.112  -0.476
  101    HB3  ARG  15           3HB      ARG  15 -14.632   5.416  -0.106
  102    HG2  ARG  15           2HG      ARG  15 -14.728   6.704   2.012
  103    HG3  ARG  15           3HG      ARG  15 -13.123   7.384   1.681
  104    HD2  ARG  15           2HD      ARG  15 -13.942   8.468  -0.345
  105    HD3  ARG  15           3HD      ARG  15 -15.533   7.704  -0.160
  106    HE   ARG  15           HE       ARG  15 -15.293   9.027   2.198
  107   HH11  ARG  15          1HH1      ARG  15 -15.028  10.132  -1.170
  108   HH12  ARG  15          2HH1      ARG  15 -15.610  11.717  -0.829
  109   HH21  ARG  15          1HH2      ARG  15 -15.988  11.046   2.659
  110   HH22  ARG  15          2HH2      ARG  15 -16.132  12.294   1.449
  111    H    ALA  16           H        ALA  16 -12.081   4.708   3.520
  112    HA   ALA  16           HA       ALA  16  -9.548   6.023   3.025
  113    HB1  ALA  16           3HB      ALA  16 -10.656   6.067   5.245
  114    HB2  ALA  16           1HB      ALA  16 -10.472   4.299   5.370
  115    HB3  ALA  16           2HB      ALA  16  -9.039   5.345   5.342
  116    H    GLU  17           H        GLU  17 -10.712   2.821   2.414
  117    HA   GLU  17           HA       GLU  17  -7.985   1.902   1.732
  118    HB2  GLU  17           2HB      GLU  17 -10.172   0.333   3.168
  119    HB3  GLU  17           3HB      GLU  17  -8.747  -0.400   2.422
  120    HG2  GLU  17           2HG      GLU  17  -7.256   0.738   3.964
  121    HG3  GLU  17           3HG      GLU  17  -8.598   1.653   4.661
  122    H    ALA  18           H        ALA  18  -8.108   0.165   0.088
  123    HA   ALA  18           HA       ALA  18 -10.587  -0.331  -1.342
  124    HB1  ALA  18           3HB      ALA  18  -9.829   1.766  -2.448
  125    HB2  ALA  18           1HB      ALA  18  -8.223   1.050  -2.707
  126    HB3  ALA  18           2HB      ALA  18  -9.642   0.380  -3.536
  127    H    GLU  19           H        GLU  19 -10.066  -2.020  -3.110
  128    HA   GLU  19           HA       GLU  19  -7.546  -3.419  -2.859
  129    HB2  GLU  19           2HB      GLU  19  -8.540  -5.552  -2.165
  130    HB3  GLU  19           3HB      GLU  19  -8.663  -4.327  -0.908
  131    HG2  GLU  19           2HG      GLU  19 -10.991  -5.050  -2.733
  132    HG3  GLU  19           3HG      GLU  19 -10.638  -5.890  -1.234
  133    H    LYS  20           H        LYS  20  -7.323  -5.120  -4.476
  134    HA   LYS  20           HA       LYS  20  -9.478  -5.738  -6.261
  135    HB2  LYS  20           2HB      LYS  20  -8.498  -3.355  -7.013
  136    HB3  LYS  20           3HB      LYS  20  -7.191  -4.331  -7.677
  137    HG2  LYS  20           2HG      LYS  20  -8.873  -5.604  -9.030
  138    HG3  LYS  20           3HG      LYS  20 -10.161  -4.618  -8.321
  139    HD2  LYS  20           2HD      LYS  20  -9.158  -2.588  -9.323
  140    HD3  LYS  20           3HD      LYS  20  -7.837  -3.571 -10.003
  141    HE2  LYS  20           2HE      LYS  20  -9.492  -4.904 -11.289
  142    HE3  LYS  20           3HE      LYS  20 -10.810  -3.940 -10.612
  143    HZ1  LYS  20           3HZ      LYS  20  -8.658  -2.888 -12.359
  144    HZ2  LYS  20           1HZ      LYS  20 -10.193  -3.182 -12.814
  145    HZ3  LYS  20           2HZ      LYS  20  -9.889  -2.001 -11.738
  146    H    THR  21           H        THR  21  -8.705  -7.260  -7.984
  147    HA   THR  21           HA       THR  21  -6.463  -8.959  -7.182
  148    HB   THR  21           HB       THR  21  -7.315 -10.133  -9.369
  149    HG1  THR  21           1HG      THR  21  -8.653  -8.570 -10.203
  150   HG21  THR  21          3HG2      THR  21  -9.098  -9.933  -6.898
  151   HG22  THR  21          1HG2      THR  21  -9.170 -11.215  -8.131
  152   HG23  THR  21          2HG2      THR  21  -7.721 -11.032  -7.133
  153    H    PHE  22           H        PHE  22  -4.565  -9.162  -8.486
  154    HA   PHE  22           HA       PHE  22  -4.193  -7.292 -10.746
  155    HB2  PHE  22           2HB      PHE  22  -2.421  -7.373  -8.272
  156    HB3  PHE  22           3HB      PHE  22  -2.023  -6.558  -9.770
  157    HD1  PHE  22           1HD      PHE  22  -3.313  -4.547 -10.532
  158    HD2  PHE  22           2HD      PHE  22  -3.863  -6.305  -6.631
  159    HE1  PHE  22           1HE      PHE  22  -4.312  -2.433  -9.716
  160    HE2  PHE  22           2HE      PHE  22  -4.860  -4.188  -5.819
  161    HZ   PHE  22           HZ       PHE  22  -5.076  -2.237  -7.357
  162    H    SER  23           H        SER  23  -1.937  -7.676 -11.662
  163    HA   SER  23           HA       SER  23  -0.611 -10.190 -11.315
  164    HB2  SER  23           2HB      SER  23  -2.186  -9.633 -13.875
  165    HB3  SER  23           3HB      SER  23  -0.955 -10.899 -13.706
  166    HG   SER  23           HG       SER  23  -2.930 -10.864 -11.763
  167    H    TYR  24           H        TYR  24   1.209 -10.132 -13.258
  168    HA   TYR  24           HA       TYR  24   2.053  -7.293 -13.543
  169    HB2  TYR  24           2HB      TYR  24   3.683  -9.719 -12.777
  170    HB3  TYR  24           3HB      TYR  24   4.395  -8.194 -13.259
  171    HD1  TYR  24           2HD      TYR  24   4.044  -6.131 -11.877
  172    HD2  TYR  24           1HD      TYR  24   2.811 -10.044 -10.545
  173    HE1  TYR  24           2HE      TYR  24   3.888  -5.280  -9.566
  174    HE2  TYR  24           1HE      TYR  24   2.523  -9.167  -8.224
  175    HH   TYR  24           HH       TYR  24   3.381  -5.770  -7.370
  176    HA   PRO  25           HA       PRO  25   4.061  -6.403 -14.647
  177    HB2  PRO  25           2HB      PRO  25   4.236  -4.834 -16.883
  178    HB3  PRO  25           3HB      PRO  25   5.401  -6.131 -16.483
  179    HG2  PRO  25           2HG      PRO  25   3.048  -6.264 -18.386
  180    HG3  PRO  25           3HG      PRO  25   4.721  -6.847 -18.643
  181    HD2  PRO  25           2HD      PRO  25   2.694  -8.516 -17.864
  182    HD3  PRO  25           3HD      PRO  25   4.370  -8.742 -17.291
  183    H    LEU  26           H        LEU  26   1.339  -6.358 -16.954
  184    HA   LEU  26           HA       LEU  26  -0.552  -5.241 -17.185
  185    HB2  LEU  26           2HB      LEU  26  -1.074  -6.723 -15.321
  186    HB3  LEU  26           3HB      LEU  26  -0.546  -5.499 -14.170
  187    HG   LEU  26           HG       LEU  26  -2.402  -4.006 -14.869
  188   HD11  LEU  26          1HD1      LEU  26  -4.249  -4.933 -16.256
  189   HD12  LEU  26          2HD1      LEU  26  -2.766  -4.728 -17.188
  190   HD13  LEU  26          3HD1      LEU  26  -3.245  -6.350 -16.635
  191   HD21  LEU  26          3HD2      LEU  26  -2.663  -5.563 -12.979
  192   HD22  LEU  26          1HD2      LEU  26  -4.197  -5.319 -13.825
  193   HD23  LEU  26          2HD2      LEU  26  -3.275  -6.818 -14.080
  194    H    ASP  27           H        ASP  27   0.605  -3.647 -14.236
  195    HA   ASP  27           HA       ASP  27   1.158  -1.128 -15.282
  196    HB2  ASP  27           2HB      ASP  27  -1.364  -0.912 -15.521
  197    HB3  ASP  27           3HB      ASP  27  -1.504  -1.122 -13.776
  198    H    LEU  28           H        LEU  28   0.165  -3.203 -12.632
  199    HA   LEU  28           HA       LEU  28   0.643  -1.685 -10.389
  200    HB2  LEU  28           2HB      LEU  28  -0.473  -3.928 -10.548
  201    HB3  LEU  28           3HB      LEU  28   1.121  -4.660 -10.751
  202    HG   LEU  28           HG       LEU  28   1.778  -3.786  -8.491
  203   HD11  LEU  28          1HD1      LEU  28   0.330  -1.879  -8.146
  204   HD12  LEU  28          2HD1      LEU  28  -1.133  -2.847  -8.449
  205   HD13  LEU  28          3HD1      LEU  28  -0.184  -3.097  -6.981
  206   HD21  LEU  28          3HD2      LEU  28  -0.797  -5.346  -8.240
  207   HD22  LEU  28          1HD2      LEU  28   0.670  -6.079  -8.922
  208   HD23  LEU  28          2HD2      LEU  28   0.673  -5.456  -7.267
  209    H    LEU  29           H        LEU  29   2.349  -0.931  -9.288
  210    HA   LEU  29           HA       LEU  29   4.872  -2.367  -9.263
  211    HB2  LEU  29           2HB      LEU  29   5.019  -0.666 -11.182
  212    HB3  LEU  29           3HB      LEU  29   4.838   0.609  -9.982
  213    HG   LEU  29           HG       LEU  29   7.159   0.028 -10.893
  214   HD11  LEU  29          1HD1      LEU  29   8.317   0.520  -8.791
  215   HD12  LEU  29          2HD1      LEU  29   6.915   1.556  -9.051
  216   HD13  LEU  29          3HD1      LEU  29   6.831   0.220  -7.881
  217   HD21  LEU  29          3HD2      LEU  29   7.130  -2.197  -8.823
  218   HD22  LEU  29          1HD2      LEU  29   7.000  -2.446 -10.584
  219   HD23  LEU  29          2HD2      LEU  29   8.453  -1.713  -9.892
  220    H    LEU  30           H        LEU  30   5.566  -2.287  -7.154
  221    HA   LEU  30           HA       LEU  30   4.452  -0.234  -5.295
  222    HB2  LEU  30           2HB      LEU  30   4.623  -3.251  -5.058
  223    HB3  LEU  30           3HB      LEU  30   4.942  -2.278  -3.638
  224    HG   LEU  30           HG       LEU  30   2.753  -1.289  -3.650
  225   HD11  LEU  30          1HD1      LEU  30   2.169  -1.163  -6.026
  226   HD12  LEU  30          2HD1      LEU  30   2.208  -2.932  -6.159
  227   HD13  LEU  30          3HD1      LEU  30   0.962  -2.119  -5.182
  228   HD21  LEU  30          3HD2      LEU  30   1.435  -3.277  -3.140
  229   HD22  LEU  30          1HD2      LEU  30   2.538  -4.291  -4.078
  230   HD23  LEU  30          2HD2      LEU  30   3.104  -3.522  -2.581
  231    H    LYS  31           H        LYS  31   5.970   0.306  -3.567
  232    HA   LYS  31           HA       LYS  31   8.766  -0.569  -3.897
  233    HB2  LYS  31           2HB      LYS  31   9.606   1.740  -4.163
  234    HB3  LYS  31           3HB      LYS  31   8.624   1.209  -5.509
  235    HG2  LYS  31           2HG      LYS  31   7.935   3.369  -5.255
  236    HG3  LYS  31           3HG      LYS  31   6.662   2.503  -4.403
  237    HD2  LYS  31           2HD      LYS  31   7.739   3.080  -2.229
  238    HD3  LYS  31           3HD      LYS  31   9.030   3.925  -3.088
  239    HE2  LYS  31           2HE      LYS  31   6.056   4.601  -3.271
  240    HE3  LYS  31           3HE      LYS  31   7.168   5.360  -2.132
  241    HZ1  LYS  31           3HZ      LYS  31   6.903   6.723  -4.097
  242    HZ2  LYS  31           1HZ      LYS  31   8.444   6.213  -4.017
  243    HZ3  LYS  31           2HZ      LYS  31   7.409   5.535  -5.085
  244    H    LEU  32           H        LEU  32  10.148   0.335  -2.115
  245    HA   LEU  32           HA       LEU  32   8.598   0.456   0.424
  246    HB2  LEU  32           2HB      LEU  32  10.262  -1.313   0.253
  247    HB3  LEU  32           3HB      LEU  32  11.500  -0.172  -0.265
  248    HG   LEU  32           HG       LEU  32  11.557   0.873   1.946
  249   HD11  LEU  32          1HD1      LEU  32   9.338  -1.090   2.647
  250   HD12  LEU  32          2HD1      LEU  32  10.317  -0.225   3.851
  251   HD13  LEU  32          3HD1      LEU  32   9.291   0.685   2.744
  252   HD21  LEU  32          3HD2      LEU  32  12.974  -1.105   1.529
  253   HD22  LEU  32          1HD2      LEU  32  12.460  -1.045   3.222
  254   HD23  LEU  32          2HD2      LEU  32  11.678  -2.176   2.100
  255    H    HIS  33           H        HIS  33   8.381   2.449   1.407
  256    HA   HIS  33           HA       HIS  33  10.531   4.431   1.255
  257    HB2  HIS  33           2HB      HIS  33   9.194   4.946  -0.759
  258    HB3  HIS  33           3HB      HIS  33   7.718   4.984   0.212
  259    HD1  HIS  33           1HD      HIS  33   7.270   7.268   1.569
  260    HD2  HIS  33           2HD      HIS  33  10.965   7.006  -0.437
  261    HE1  HIS  33           1HE      HIS  33   8.298   9.592   1.660
  262    H    ASP  34           H        ASP  34  10.437   5.814   3.065
  263    HA   ASP  34           HA       ASP  34  10.156   6.159   5.274
  264    HB2  ASP  34           2HB      ASP  34   8.426   7.602   4.280
  265    HB3  ASP  34           3HB      ASP  34   7.230   6.321   4.490
  266    H    GLU  35           H        GLU  35  10.512   3.521   4.716
  267    HA   GLU  35           HA       GLU  35  10.507   1.473   5.539
  268    HB2  GLU  35           2HB      GLU  35   9.496   2.923   8.008
  269    HB3  GLU  35           3HB      GLU  35   9.748   1.200   7.994
  270    HG2  GLU  35           2HG      GLU  35  12.126   1.822   6.975
  271    HG3  GLU  35           3HG      GLU  35  11.790   3.397   7.696
  272    H    ARG  36           H        ARG  36   7.710   2.588   4.362
  273    HA   ARG  36           HA       ARG  36   6.284   0.024   4.974
  274    HB2  ARG  36           2HB      ARG  36   5.124   2.780   4.362
  275    HB3  ARG  36           3HB      ARG  36   4.208   1.288   4.256
  276    HG2  ARG  36           2HG      ARG  36   3.614   2.253   6.301
  277    HG3  ARG  36           3HG      ARG  36   4.632   0.863   6.696
  278    HD2  ARG  36           2HD      ARG  36   6.530   2.341   7.135
  279    HD3  ARG  36           3HD      ARG  36   5.606   3.745   6.553
  280    HE   ARG  36           HE       ARG  36   4.202   2.535   8.700
  281   HH11  ARG  36          1HH1      ARG  36   7.180   4.360   8.064
  282   HH12  ARG  36          2HH1      ARG  36   7.291   5.019   9.664
  283   HH21  ARG  36          1HH2      ARG  36   4.333   3.427  10.833
  284   HH22  ARG  36          2HH2      ARG  36   5.625   4.478  11.267
  285    H    VAL  37           H        VAL  37   5.308  -1.032   3.154
  286    HA   VAL  37           HA       VAL  37   6.440  -0.247   0.560
  287    HB   VAL  37           HB       VAL  37   6.233  -2.623   1.194
  288   HG11  VAL  37          1HG1      VAL  37   3.249  -2.146   1.016
  289   HG12  VAL  37          2HG1      VAL  37   3.979  -3.743   1.000
  290   HG13  VAL  37          3HG1      VAL  37   4.146  -2.709   2.433
  291   HG21  VAL  37          3HG2      VAL  37   5.384  -3.407  -0.970
  292   HG22  VAL  37          1HG2      VAL  37   4.614  -1.830  -1.253
  293   HG23  VAL  37          2HG2      VAL  37   6.387  -1.968  -1.147
  294    H    LEU  38           H        LEU  38   5.361   0.909  -0.991
  295    HA   LEU  38           HA       LEU  38   2.576   1.811  -0.431
  296    HB2  LEU  38           2HB      LEU  38   4.805   3.482  -1.650
  297    HB3  LEU  38           3HB      LEU  38   3.140   3.984  -1.402
  298    HG   LEU  38           HG       LEU  38   5.222   3.485   0.744
  299   HD11  LEU  38          1HD1      LEU  38   5.491   5.578  -0.571
  300   HD12  LEU  38          2HD1      LEU  38   3.831   6.044  -0.149
  301   HD13  LEU  38          3HD1      LEU  38   5.070   5.901   1.116
  302   HD21  LEU  38          3HD2      LEU  38   3.550   4.475   2.331
  303   HD22  LEU  38          1HD2      LEU  38   2.315   4.316   1.062
  304   HD23  LEU  38          2HD2      LEU  38   3.122   2.878   1.740
  305    H    VAL  39           H        VAL  39   1.337   2.132  -2.292
  306    HA   VAL  39           HA       VAL  39   2.045   0.662  -4.709
  307    HB   VAL  39           HB       VAL  39  -0.218   2.640  -4.140
  308   HG11  VAL  39          1HG1      VAL  39   0.024   0.497  -6.302
  309   HG12  VAL  39          2HG1      VAL  39  -1.400   1.517  -5.995
  310   HG13  VAL  39          3HG1      VAL  39   0.099   2.253  -6.561
  311   HG21  VAL  39          3HG2      VAL  39  -1.647   0.633  -3.774
  312   HG22  VAL  39          1HG2      VAL  39  -0.204  -0.398  -3.859
  313   HG23  VAL  39          2HG2      VAL  39  -0.395   0.784  -2.546
  314    H    ALA  40           H        ALA  40   2.914   1.584  -6.619
  315    HA   ALA  40           HA       ALA  40   3.452   4.534  -6.598
  316    HB1  ALA  40           3HB      ALA  40   5.513   3.159  -6.317
  317    HB2  ALA  40           1HB      ALA  40   5.119   2.295  -7.823
  318    HB3  ALA  40           2HB      ALA  40   5.490   4.030  -7.864
  319    H    PHE  41           H        PHE  41   2.730   1.653  -8.547
  320    HA   PHE  41           HA       PHE  41   1.021   3.262 -10.316
  321    HB2  PHE  41           2HB      PHE  41   3.031   1.254 -11.388
  322    HB3  PHE  41           3HB      PHE  41   1.825   2.126 -12.324
  323    HD1  PHE  41           1HD      PHE  41   2.050   4.904 -11.719
  324    HD2  PHE  41           2HD      PHE  41   5.195   1.957 -11.936
  325    HE1  PHE  41           1HE      PHE  41   3.688   6.684 -12.256
  326    HE2  PHE  41           2HE      PHE  41   6.829   3.743 -12.452
  327    HZ   PHE  41           HZ       PHE  41   6.082   6.112 -12.617
  328    H    GLY  42           H        GLY  42  -0.414   1.599 -11.569
  329    HA2  GLY  42           2HA      GLY  42  -1.246  -0.746 -11.380
  330    HA3  GLY  42           3HA      GLY  42  -1.208  -0.528  -9.617
  331    H    GLN  43           H        GLN  43  -2.014   2.392 -10.128
  332    HA   GLN  43           HA       GLN  43  -4.861   2.092 -10.871
  333    HB2  GLN  43           2HB      GLN  43  -3.763   3.093  -8.199
  334    HB3  GLN  43           3HB      GLN  43  -5.401   3.429  -8.762
  335    HG2  GLN  43           2HG      GLN  43  -4.340   0.619  -8.308
  336    HG3  GLN  43           3HG      GLN  43  -5.288   1.553  -7.164
  337   HE21  GLN  43          2HE2      GLN  43  -5.439  -0.285 -10.174
  338   HE22  GLN  43          1HE2      GLN  43  -7.189  -0.247 -10.313
  339    H    ARG  44           H        ARG  44  -2.700   3.238 -12.393
  340    HA   ARG  44           HA       ARG  44  -2.630   6.092 -12.124
  341    HB2  ARG  44           2HB      ARG  44  -2.155   4.258 -14.514
  342    HB3  ARG  44           3HB      ARG  44  -2.004   6.016 -14.595
  343    HG2  ARG  44           2HG      ARG  44  -0.371   5.906 -12.659
  344    HG3  ARG  44           3HG      ARG  44  -0.345   4.147 -12.851
  345    HD2  ARG  44           2HD      ARG  44   0.303   6.157 -15.058
  346    HD3  ARG  44           3HD      ARG  44   1.521   5.409 -14.021
  347    HE   ARG  44           HE       ARG  44   0.260   3.209 -14.997
  348   HH11  ARG  44          1HH2      ARG  44   1.662   6.036 -16.669
  349   HH12  ARG  44          2HH2      ARG  44   2.085   5.134 -18.078
  350   HH21  ARG  44          1HH1      ARG  44   0.807   2.083 -16.723
  351   HH22  ARG  44          2HH1      ARG  44   1.575   2.774 -18.146
  352    H    ASP  45           H        ASP  45  -5.243   4.107 -12.971
  353    HA   ASP  45           HA       ASP  45  -6.884   5.694 -14.607
  354    HB2  ASP  45           2HB      ASP  45  -7.532   3.475 -14.000
  355    HB3  ASP  45           3HB      ASP  45  -7.363   3.810 -12.278
  356    H    GLY  46           H        GLY  46  -5.754   6.310 -11.300
  357    HA2  GLY  46           2HA      GLY  46  -6.999   8.957 -11.387
  358    HA3  GLY  46           3HA      GLY  46  -7.499   7.924 -10.039
  359    H    ILE  47           H        ILE  47  -6.406   9.896  -8.964
  360    HA   ILE  47           HA       ILE  47  -3.487   9.878  -8.916
  361    HB   ILE  47           HB       ILE  47  -3.735  11.697  -7.298
  362   HG12  ILE  47          2HG1      ILE  47  -6.758  11.293  -7.519
  363   HG13  ILE  47          3HG1      ILE  47  -5.777  10.865  -6.116
  364   HG21  ILE  47          1HG2      ILE  47  -4.643  13.331  -8.830
  365   HG22  ILE  47          2HG2      ILE  47  -3.841  12.077  -9.774
  366   HG23  ILE  47          3HG2      ILE  47  -5.614  12.105  -9.667
  367   HD11  ILE  47          3HD1      ILE  47  -6.846  12.970  -5.683
  368   HD12  ILE  47          1HD1      ILE  47  -5.107  13.263  -5.878
  369   HD13  ILE  47          2HD1      ILE  47  -6.240  13.673  -7.191
  370    H    ARG  48           H        ARG  48  -5.571   7.701  -7.619
  371    HA   ARG  48           HA       ARG  48  -4.913   7.763  -4.861
  372    HB2  ARG  48           2HB      ARG  48  -6.315   5.850  -4.640
  373    HB3  ARG  48           3HB      ARG  48  -7.031   6.929  -5.829
  374    HG2  ARG  48           2HG      ARG  48  -5.944   5.419  -7.636
  375    HG3  ARG  48           3HG      ARG  48  -5.564   4.305  -6.314
  376    HD2  ARG  48           2HD      ARG  48  -7.588   3.479  -7.151
  377    HD3  ARG  48           3HD      ARG  48  -8.080   4.383  -5.731
  378    HE   ARG  48           HE       ARG  48  -8.912   6.145  -7.113
  379   HH11  ARG  48          1HH1      ARG  48  -8.138   3.177  -9.010
  380   HH12  ARG  48          2HH1      ARG  48  -8.880   3.859 -10.449
  381   HH21  ARG  48          1HH2      ARG  48  -9.939   6.841  -9.100
  382   HH22  ARG  48          2HH2      ARG  48  -9.845   5.782 -10.494
  383    H    VAL  49           H        VAL  49  -2.586   7.093  -6.972
  384    HA   VAL  49           HA       VAL  49  -1.446   4.692  -5.695
  385    HB   VAL  49           HB       VAL  49   0.582   5.297  -6.946
  386   HG11  VAL  49          1HG1      VAL  49  -0.289   4.799  -9.187
  387   HG12  VAL  49          2HG1      VAL  49  -1.130   3.832  -7.967
  388   HG13  VAL  49          3HG1      VAL  49  -1.928   5.249  -8.686
  389   HG21  VAL  49          3HG2      VAL  49  -1.027   7.583  -8.183
  390   HG22  VAL  49          1HG2      VAL  49   0.317   7.776  -7.033
  391   HG23  VAL  49          2HG2      VAL  49   0.611   7.058  -8.620
  392    H    GLY  50           H        GLY  50   0.791   5.036  -4.573
  393    HA2  GLY  50           2HA      GLY  50   2.118   6.088  -3.031
  394    HA3  GLY  50           3HA      GLY  50   1.075   7.515  -3.056
  395    H    HIS  51           H        HIS  51  -0.885   4.814  -2.606
  396    HA   HIS  51           HA       HIS  51  -1.292   5.347   0.250
  397    HB2  HIS  51           2HB      HIS  51  -2.625   3.606  -1.860
  398    HB3  HIS  51           3HB      HIS  51  -2.942   3.346  -0.154
  399    HD1  HIS  51           1HD      HIS  51  -4.302   5.364  -2.895
  400    HD2  HIS  51           2HD      HIS  51  -3.569   5.871   1.208
  401    HE1  HIS  51           1HE      HIS  51  -5.832   7.254  -2.121
  402    H    ALA  52           H        ALA  52  -1.230   3.568   1.819
  403    HA   ALA  52           HA       ALA  52   1.216   1.929   1.448
  404    HB1  ALA  52           3HB      ALA  52  -0.548   2.456   3.887
  405    HB2  ALA  52           1HB      ALA  52   0.951   1.501   3.877
  406    HB3  ALA  52           2HB      ALA  52   1.014   3.242   3.543
  407    H    VAL  53           H        VAL  53   1.132  -0.337   1.632
  408    HA   VAL  53           HA       VAL  53  -1.417  -1.583   0.902
  409    HB   VAL  53           HB       VAL  53   1.252  -2.834   1.618
  410   HG11  VAL  53          1HG1      VAL  53  -0.550  -4.492   1.717
  411   HG12  VAL  53          2HG1      VAL  53  -1.152  -3.970   0.132
  412   HG13  VAL  53          3HG1      VAL  53   0.429  -4.759   0.278
  413   HG21  VAL  53          3HG2      VAL  53   1.610  -3.026  -0.813
  414   HG22  VAL  53          1HG2      VAL  53   0.097  -2.144  -1.133
  415   HG23  VAL  53          2HG2      VAL  53   1.480  -1.327  -0.374
  416    H    LEU  54           H        LEU  54  -2.656  -2.875   2.262
  417    HA   LEU  54           HA       LEU  54  -1.994  -2.929   5.174
  418    HB2  LEU  54           2HB      LEU  54  -4.726  -2.913   3.807
  419    HB3  LEU  54           3HB      LEU  54  -4.460  -3.410   5.461
  420    HG   LEU  54           HG       LEU  54  -5.285  -1.272   5.638
  421   HD11  LEU  54          1HD1      LEU  54  -3.585   0.044   6.728
  422   HD12  LEU  54          2HD1      LEU  54  -3.295  -1.667   7.087
  423   HD13  LEU  54          3HD1      LEU  54  -2.287  -0.819   5.888
  424   HD21  LEU  54          3HD2      LEU  54  -5.004  -0.536   3.332
  425   HD22  LEU  54          1HD2      LEU  54  -4.505   0.711   4.485
  426   HD23  LEU  54          2HD2      LEU  54  -3.272  -0.226   3.625
  427    H    ALA  55           H        ALA  55  -3.032  -4.835   2.257
  428    HA   ALA  55           HA       ALA  55  -1.893  -7.152   3.631
  429    HB1  ALA  55           3HB      ALA  55  -4.221  -7.226   4.485
  430    HB2  ALA  55           1HB      ALA  55  -4.835  -7.213   2.813
  431    HB3  ALA  55           2HB      ALA  55  -3.886  -8.586   3.417
  432    H    ILE  56           H        ILE  56  -1.661  -9.005   2.244
  433    HA   ILE  56           HA       ILE  56  -2.165  -8.631  -0.659
  434    HB   ILE  56           HB       ILE  56   0.473  -9.616   0.517
  435   HG12  ILE  56          2HG1      ILE  56  -0.006  -7.119  -1.171
  436   HG13  ILE  56          3HG1      ILE  56   0.210  -7.107   0.581
  437   HG21  ILE  56          1HG2      ILE  56  -0.430  -9.308  -2.391
  438   HG22  ILE  56          2HG2      ILE  56   1.184  -9.839  -1.861
  439   HG23  ILE  56          3HG2      ILE  56  -0.217 -10.840  -1.542
  440   HD11  ILE  56          3HD1      ILE  56   2.294  -7.975  -1.439
  441   HD12  ILE  56          1HD1      ILE  56   2.301  -6.530  -0.418
  442   HD13  ILE  56          2HD1      ILE  56   2.452  -8.141   0.320
  443    H    ASN  57           H        ASN  57  -2.957 -10.518  -1.508
  444    HA   ASN  57           HA       ASN  57  -4.080 -12.474  -1.527
  445    HB2  ASN  57           2HB      ASN  57  -1.479 -13.443  -0.291
  446    HB3  ASN  57           3HB      ASN  57  -2.712 -14.500  -0.964
  447   HD21  ASN  57          2HD2      ASN  57  -0.005 -14.389  -1.877
  448   HD22  ASN  57          1HD2      ASN  57  -0.097 -13.994  -3.575
  449    H    GLY  58           H        GLY  58  -4.637 -10.811   0.773
  450    HA2  GLY  58           2HA      GLY  58  -6.174 -10.973   2.484
  451    HA3  GLY  58           3HA      GLY  58  -6.092 -12.736   2.409
  452    H    MET  59           H        MET  59  -2.887 -11.949   2.640
  453    HA   MET  59           HA       MET  59  -2.822 -12.262   5.579
  454    HB2  MET  59           2HB      MET  59  -0.604 -12.205   3.479
  455    HB3  MET  59           3HB      MET  59  -0.361 -12.406   5.216
  456    HG2  MET  59           2HG      MET  59  -1.957 -14.300   3.450
  457    HG3  MET  59           3HG      MET  59  -0.288 -14.537   3.962
  458    HE1  MET  59           3HE      MET  59  -0.896 -16.957   4.812
  459    HE2  MET  59           1HE      MET  59  -2.219 -17.307   5.947
  460    HE3  MET  59           2HE      MET  59  -2.585 -16.707   4.315
  461    H    ASP  60           H        ASP  60  -2.905 -10.464   6.741
  462    HA   ASP  60           HA       ASP  60  -2.586  -7.775   6.045
  463    HB2  ASP  60           2HB      ASP  60  -3.485  -8.491   8.173
  464    HB3  ASP  60           3HB      ASP  60  -1.993  -9.332   8.586
  465    H    VAL  61           H        VAL  61  -0.796  -6.377   5.875
  466    HA   VAL  61           HA       VAL  61   1.886  -7.645   6.165
  467    HB   VAL  61           HB       VAL  61   2.806  -6.120   4.579
  468   HG11  VAL  61          1HG1      VAL  61   0.375  -7.550   3.412
  469   HG12  VAL  61          2HG1      VAL  61   1.804  -7.005   2.518
  470   HG13  VAL  61          3HG1      VAL  61   1.958  -8.268   3.745
  471   HG21  VAL  61          3HG2      VAL  61   1.286  -4.173   4.839
  472   HG22  VAL  61          1HG2      VAL  61   1.506  -4.656   3.156
  473   HG23  VAL  61          2HG2      VAL  61   0.010  -5.087   4.008
  474    H    ASN  62           H        ASN  62   3.503  -6.537   7.113
  475    HA   ASN  62           HA       ASN  62   2.783  -4.318   8.972
  476    HB2  ASN  62           2HB      ASN  62   2.907  -6.402  10.230
  477    HB3  ASN  62           3HB      ASN  62   4.397  -6.863   9.400
  478   HD21  ASN  62          2HD2      ASN  62   5.526  -7.057  11.432
  479   HD22  ASN  62          1HD2      ASN  62   6.025  -5.641  12.321
  480    H    GLY  63           H        GLY  63   3.713  -2.685   7.867
  481    HA2  GLY  63           2HA      GLY  63   5.337  -1.283   7.077
  482    HA3  GLY  63           3HA      GLY  63   6.569  -2.410   7.658
  483    H    ARG  64           H        ARG  64   6.969  -4.342   6.334
  484    HA   ARG  64           HA       ARG  64   6.073  -4.379   3.583
  485    HB2  ARG  64           2HB      ARG  64   8.226  -4.194   2.504
  486    HB3  ARG  64           3HB      ARG  64   7.850  -2.724   3.364
  487    HG2  ARG  64           2HG      ARG  64   9.720  -4.867   4.474
  488    HG3  ARG  64           3HG      ARG  64  10.251  -3.557   3.426
  489    HD2  ARG  64           2HD      ARG  64   9.383  -1.893   5.069
  490    HD3  ARG  64           3HD      ARG  64   8.990  -3.220   6.174
  491    HE   ARG  64           HE       ARG  64  11.616  -3.678   5.584
  492   HH11  ARG  64          1HH1      ARG  64   9.816  -0.941   7.014
  493   HH12  ARG  64          2HH1      ARG  64  11.126  -0.538   8.111
  494   HH21  ARG  64          1HH2      ARG  64  13.303  -3.059   6.991
  495   HH22  ARG  64          2HH2      ARG  64  13.107  -1.707   8.056
  496    H    TYR  65           H        TYR  65   6.048  -6.103   6.079
  497    HA   TYR  65           HA       TYR  65   7.106  -8.533   4.728
  498    HB2  TYR  65           2HB      TYR  65   7.062  -8.070   7.724
  499    HB3  TYR  65           3HB      TYR  65   7.719  -9.461   6.868
  500    HD1  TYR  65           1HD      TYR  65   9.783  -9.143   5.378
  501    HD2  TYR  65           2HD      TYR  65   8.351  -6.068   8.044
  502    HE1  TYR  65           1HE      TYR  65  11.896  -7.884   5.053
  503    HE2  TYR  65           2HE      TYR  65  10.470  -4.817   7.744
  504    HH   TYR  65           HH       TYR  65  13.112  -5.971   5.601
  505    H    THR  66           H        THR  66   5.607 -10.332   4.775
  506    HA   THR  66           HA       THR  66   2.848  -9.616   5.299
  507    HB   THR  66           HB       THR  66   2.394 -11.991   4.791
  508    HG1  THR  66           1HG      THR  66   4.083 -13.328   4.217
  509   HG21  THR  66          3HG2      THR  66   2.585 -10.392   2.944
  510   HG22  THR  66          1HG2      THR  66   4.331 -10.736   2.805
  511   HG23  THR  66          2HG2      THR  66   3.133 -12.005   2.466
  512    H    ALA  67           H        ALA  67   1.465 -11.007   6.688
  513    HA   ALA  67           HA       ALA  67   2.100 -11.134   9.396
  514    HB1  ALA  67           3HB      ALA  67   0.198 -12.761   9.500
  515    HB2  ALA  67           1HB      ALA  67  -0.181 -11.368   8.465
  516    HB3  ALA  67           2HB      ALA  67   0.267 -12.927   7.730
  517    H    ASP  68           H        ASP  68   2.637 -13.574   6.858
  518    HA   ASP  68           HA       ASP  68   3.709 -15.618   8.605
  519    HB2  ASP  68           2HB      ASP  68   2.754 -16.157   6.408
  520    HB3  ASP  68           3HB      ASP  68   4.013 -15.212   5.606
  521    H    GLY  69           H        GLY  69   5.139 -12.973   6.668
  522    HA2  GLY  69           2HA      GLY  69   7.002 -11.858   7.821
  523    HA3  GLY  69           3HA      GLY  69   7.778 -13.432   8.012
  524    H    LYS  70           H        LYS  70   6.257 -13.247   4.948
  525    HA   LYS  70           HA       LYS  70   8.778 -13.331   3.526
  526    HB2  LYS  70           2HB      LYS  70   5.960 -12.808   2.456
  527    HB3  LYS  70           3HB      LYS  70   7.363 -13.301   1.518
  528    HG2  LYS  70           2HG      LYS  70   6.004 -15.014   3.643
  529    HG3  LYS  70           3HG      LYS  70   5.726 -15.121   1.907
  530    HD2  LYS  70           2HD      LYS  70   8.091 -15.719   1.526
  531    HD3  LYS  70           3HD      LYS  70   8.401 -15.625   3.280
  532    HE2  LYS  70           2HE      LYS  70   6.697 -17.390   3.666
  533    HE3  LYS  70           3HE      LYS  70   6.405 -17.495   1.926
  534    HZ1  LYS  70           3HZ      LYS  70   8.973 -18.125   3.264
  535    HZ2  LYS  70           1HZ      LYS  70   7.919 -19.216   2.672
  536    HZ3  LYS  70           2HZ      LYS  70   8.708 -18.221   1.653
  537    H    GLU  71           H        GLU  71   9.881 -11.599   2.580
  538    HA   GLU  71           HA       GLU  71   9.065  -8.868   3.126
  539    HB2  GLU  71           2HB      GLU  71  11.431  -9.679   2.900
  540    HB3  GLU  71           3HB      GLU  71  11.164  -9.924   1.176
  541    HG2  GLU  71           2HG      GLU  71  10.832  -7.266   2.657
  542    HG3  GLU  71           3HG      GLU  71  12.309  -7.759   1.833
  543    H    VAL  72           H        VAL  72   7.553  -7.778   1.995
  544    HA   VAL  72           HA       VAL  72   5.850  -9.171   0.288
  545    HB   VAL  72           HB       VAL  72   4.711  -7.002   0.015
  546   HG11  VAL  72          1HG1      VAL  72   4.207  -6.658   2.415
  547   HG12  VAL  72          2HG1      VAL  72   4.227  -8.367   1.955
  548   HG13  VAL  72          3HG1      VAL  72   5.585  -7.687   2.847
  549   HG21  VAL  72          3HG2      VAL  72   7.215  -5.857   1.265
  550   HG22  VAL  72          1HG2      VAL  72   6.339  -5.352  -0.174
  551   HG23  VAL  72          2HG2      VAL  72   5.647  -5.067   1.426
  552    H    LEU  73           H        LEU  73   8.510  -6.902  -0.690
  553    HA   LEU  73           HA       LEU  73   7.417  -6.706  -3.378
  554    HB2  LEU  73           2HB      LEU  73  10.138  -5.970  -2.239
  555    HB3  LEU  73           3HB      LEU  73   9.651  -5.666  -3.898
  556    HG   LEU  73           HG       LEU  73   8.191  -4.514  -1.465
  557   HD11  LEU  73          1HD1      LEU  73  10.162  -3.171  -3.364
  558   HD12  LEU  73          2HD1      LEU  73   9.276  -2.405  -2.021
  559   HD13  LEU  73          3HD1      LEU  73  10.495  -3.636  -1.680
  560   HD21  LEU  73          3HD2      LEU  73   6.687  -4.644  -3.374
  561   HD22  LEU  73          1HD2      LEU  73   7.207  -2.974  -3.164
  562   HD23  LEU  73          2HD2      LEU  73   7.927  -3.958  -4.450
  563    H    GLU  74           H        GLU  74  10.048  -8.660  -1.863
  564    HA   GLU  74           HA       GLU  74  10.706 -10.109  -4.227
  565    HB2  GLU  74           2HB      GLU  74  12.008 -10.049  -2.066
  566    HB3  GLU  74           3HB      GLU  74  10.757 -11.044  -1.321
  567    HG2  GLU  74           2HG      GLU  74  12.548 -12.492  -1.908
  568    HG3  GLU  74           3HG      GLU  74  11.250 -12.837  -3.039
  569    H    TYR  75           H        TYR  75   8.269 -10.733  -1.650
  570    HA   TYR  75           HA       TYR  75   7.308 -13.209  -2.561
  571    HB2  TYR  75           2HB      TYR  75   6.827 -12.233  -0.377
  572    HB3  TYR  75           3HB      TYR  75   5.928 -10.925  -1.110
  573    HD1  TYR  75           2HD      TYR  75   5.913 -14.680  -0.856
  574    HD2  TYR  75           1HD      TYR  75   3.595 -11.057  -1.223
  575    HE1  TYR  75           2HE      TYR  75   3.840 -15.986  -0.549
  576    HE2  TYR  75           1HE      TYR  75   1.511 -12.356  -0.902
  577    HH   TYR  75           HH       TYR  75   1.503 -15.913  -0.407
  578    H    LEU  76           H        LEU  76   6.231  -9.899  -3.450
  579    HA   LEU  76           HA       LEU  76   4.155 -10.748  -5.279
  580    HB2  LEU  76           2HB      LEU  76   5.733  -8.173  -4.857
  581    HB3  LEU  76           3HB      LEU  76   4.491  -8.323  -6.082
  582    HG   LEU  76           HG       LEU  76   3.920  -8.798  -3.126
  583   HD11  LEU  76          1HD1      LEU  76   4.726  -6.509  -3.413
  584   HD12  LEU  76          2HD1      LEU  76   3.621  -6.261  -4.781
  585   HD13  LEU  76          3HD1      LEU  76   2.977  -6.493  -3.143
  586   HD21  LEU  76          3HD2      LEU  76   1.571  -8.333  -3.835
  587   HD22  LEU  76          1HD2      LEU  76   2.114  -8.308  -5.523
  588   HD23  LEU  76          2HD2      LEU  76   2.251  -9.795  -4.557
  589    H    GLY  77           H        GLY  77   7.605  -9.891  -5.584
  590    HA2  GLY  77           2HA      GLY  77   7.700  -9.673  -8.406
  591    HA3  GLY  77           3HA      GLY  77   9.069  -9.936  -7.311
  592    H    ASN  78           H        ASN  78   8.025 -12.484  -6.251
  593    HA   ASN  78           HA       ASN  78   9.093 -14.400  -8.035
  594    HB2  ASN  78           2HB      ASN  78   8.840 -14.804  -5.641
  595    HB3  ASN  78           3HB      ASN  78   7.082 -14.666  -5.766
  596   HD21  ASN  78          2HD2      ASN  78   7.500 -16.880  -4.600
  597   HD22  ASN  78          1HD2      ASN  78   7.560 -18.269  -5.652
  598    HA   PRO  79           HA       PRO  79   5.503 -14.157 -10.717
  599    HB2  PRO  79           2HB      PRO  79   6.262 -15.631 -12.871
  600    HB3  PRO  79           3HB      PRO  79   6.884 -13.992 -12.499
  601    HG2  PRO  79           2HG      PRO  79   8.162 -16.676 -11.822
  602    HG3  PRO  79           3HG      PRO  79   8.939 -15.255 -12.590
  603    HD2  PRO  79           2HD      PRO  79   9.130 -15.759  -9.905
  604    HD3  PRO  79           3HD      PRO  79   9.042 -14.093 -10.546
  605    H    ALA  80           H        ALA  80   6.610 -17.081  -9.192
  606    HA   ALA  80           HA       ALA  80   4.416 -18.778  -9.986
  607    HB1  ALA  80           3HB      ALA  80   4.956 -20.033  -7.962
  608    HB2  ALA  80           1HB      ALA  80   6.470 -19.564  -8.762
  609    HB3  ALA  80           2HB      ALA  80   5.897 -18.678  -7.322
  610    H    ASN  81           H        ASN  81   4.604 -15.868  -8.191
  611    HA   ASN  81           HA       ASN  81   1.840 -16.053  -7.143
  612    HB2  ASN  81           2HB      ASN  81   3.527 -16.430  -5.340
  613    HB3  ASN  81           3HB      ASN  81   4.341 -14.937  -5.807
  614   HD21  ASN  81          2HD2      ASN  81   4.018 -13.557  -4.164
  615   HD22  ASN  81          1HD2      ASN  81   2.503 -13.273  -3.327
  616    H    TYR  82           H        TYR  82   2.856 -15.024  -9.733
  617    HA   TYR  82           HA       TYR  82   2.858 -12.130  -9.590
  618    HB2  TYR  82           2HB      TYR  82   2.741 -14.198 -11.744
  619    HB3  TYR  82           3HB      TYR  82   1.837 -12.749 -12.077
  620    HD1  TYR  82           2HD      TYR  82   4.834 -11.894 -10.134
  621    HD2  TYR  82           1HD      TYR  82   3.320 -12.815 -14.084
  622    HE1  TYR  82           2HE      TYR  82   6.762 -10.779 -11.129
  623    HE2  TYR  82           1HE      TYR  82   5.256 -11.664 -15.087
  624    HH   TYR  82           HH       TYR  82   7.847 -10.143 -13.099
  625    HA   PRO  83           HA       PRO  83  -1.801 -12.314 -10.308
  626    HB2  PRO  83           2HB      PRO  83  -3.259 -14.612  -9.947
  627    HB3  PRO  83           3HB      PRO  83  -2.561 -14.113 -11.518
  628    HG2  PRO  83           2HG      PRO  83  -1.436 -16.090  -9.520
  629    HG3  PRO  83           3HG      PRO  83  -1.565 -16.258 -11.298
  630    HD2  PRO  83           2HD      PRO  83   0.736 -15.502 -10.062
  631    HD3  PRO  83           3HD      PRO  83   0.278 -14.842 -11.659
  632    H    VAL  84           H        VAL  84  -2.637 -11.317  -8.532
  633    HA   VAL  84           HA       VAL  84  -2.540 -12.593  -5.867
  634    HB   VAL  84           HB       VAL  84  -1.376 -10.556  -4.954
  635   HG11  VAL  84          1HG1      VAL  84   0.852 -11.282  -5.437
  636   HG12  VAL  84          2HG1      VAL  84  -0.200 -12.702  -5.361
  637   HG13  VAL  84          3HG1      VAL  84   0.326 -12.063  -6.931
  638   HG21  VAL  84          3HG2      VAL  84   0.037  -9.179  -6.461
  639   HG22  VAL  84          1HG2      VAL  84  -0.717  -9.920  -7.869
  640   HG23  VAL  84          2HG2      VAL  84  -1.693  -8.938  -6.757
  641    H    SER  85           H        SER  85  -3.441 -11.057  -4.213
  642    HA   SER  85           HA       SER  85  -5.445  -9.128  -5.277
  643    HB2  SER  85           2HB      SER  85  -5.784 -10.984  -2.880
  644    HB3  SER  85           3HB      SER  85  -6.957  -9.789  -3.467
  645    HG   SER  85           HG       SER  85  -7.422 -11.946  -4.156
  646    H    ILE  86           H        ILE  86  -5.317  -7.136  -4.118
  647    HA   ILE  86           HA       ILE  86  -3.430  -7.060  -1.814
  648    HB   ILE  86           HB       ILE  86  -3.278  -5.192  -4.219
  649   HG12  ILE  86          2HG1      ILE  86  -1.437  -7.475  -3.376
  650   HG13  ILE  86          3HG1      ILE  86  -2.386  -7.374  -4.861
  651   HG21  ILE  86          1HG2      ILE  86  -1.464  -5.407  -1.775
  652   HG22  ILE  86          2HG2      ILE  86  -1.296  -4.247  -3.108
  653   HG23  ILE  86          3HG2      ILE  86  -2.670  -4.130  -2.030
  654   HD11  ILE  86          3HD1      ILE  86  -0.150  -6.917  -5.459
  655   HD12  ILE  86          1HD1      ILE  86  -1.014  -5.365  -5.524
  656   HD13  ILE  86          2HD1      ILE  86   0.067  -5.745  -4.156
  657    H    ARG  87           H        ARG  87  -3.992  -5.592  -0.292
  658    HA   ARG  87           HA       ARG  87  -6.369  -3.847  -0.774
  659    HB2  ARG  87           2HB      ARG  87  -5.533  -5.051   1.907
  660    HB3  ARG  87           3HB      ARG  87  -6.904  -4.018   1.550
  661    HG2  ARG  87           2HG      ARG  87  -7.628  -6.041  -0.041
  662    HG3  ARG  87           3HG      ARG  87  -6.480  -6.956   0.911
  663    HD2  ARG  87           2HD      ARG  87  -8.761  -7.204   1.786
  664    HD3  ARG  87           3HD      ARG  87  -7.721  -6.429   2.977
  665    HE   ARG  87           HE       ARG  87  -9.818  -5.083   1.285
  666   HH11  ARG  87          1HH2      ARG  87  -7.779  -4.910   4.257
  667   HH12  ARG  87          2HH2      ARG  87  -8.394  -3.299   4.607
  668   HH21  ARG  87          1HH1      ARG  87 -10.539  -3.110   1.890
  669   HH22  ARG  87          2HH1      ARG  87  -9.917  -2.328   3.375
  670    H    PHE  88           H        PHE  88  -5.941  -1.704  -0.334
  671    HA   PHE  88           HA       PHE  88  -3.504  -0.919   1.117
  672    HB2  PHE  88           2HB      PHE  88  -2.846   0.585  -0.771
  673    HB3  PHE  88           3HB      PHE  88  -2.663  -1.119  -1.138
  674    HD1  PHE  88           2HD      PHE  88  -4.636   1.944  -1.867
  675    HD2  PHE  88           1HD      PHE  88  -4.015  -2.210  -2.863
  676    HE1  PHE  88           2HE      PHE  88  -6.031   2.217  -3.898
  677    HE2  PHE  88           1HE      PHE  88  -5.451  -1.940  -4.865
  678    HZ   PHE  88           HZ       PHE  88  -6.466   0.270  -5.386
  679    H    GLY  89           H        GLY  89  -3.512   1.541   1.417
  680    HA2  GLY  89           2HA      GLY  89  -5.828   3.145   1.100
  681    HA3  GLY  89           3HA      GLY  89  -5.986   2.207   2.596
  682    H    ARG  90           H        ARG  90  -5.985   4.396   3.529
  683    HA   ARG  90           HA       ARG  90  -3.561   5.947   3.722
  684    HB2  ARG  90           2HB      ARG  90  -5.714   5.622   5.858
  685    HB3  ARG  90           3HB      ARG  90  -4.566   6.940   5.698
  686    HG2  ARG  90           2HG      ARG  90  -6.982   6.350   3.973
  687    HG3  ARG  90           3HG      ARG  90  -6.701   7.745   4.996
  688    HD2  ARG  90           2HD      ARG  90  -5.215   7.065   2.429
  689    HD3  ARG  90           3HD      ARG  90  -6.485   8.276   2.598
  690    HE   ARG  90           HE       ARG  90  -4.560   9.028   4.461
  691   HH11  ARG  90          1HH1      ARG  90  -4.506   8.511   0.914
  692   HH12  ARG  90          2HH1      ARG  90  -3.517   9.916   0.639
  693   HH21  ARG  90          1HH2      ARG  90  -3.145  10.680   4.081
  694   HH22  ARG  90          2HH2      ARG  90  -2.635  11.110   2.468
  695    HA   PRO  91           HA       PRO  91  -1.002   3.162   6.135
  696    HB2  PRO  91           2HB      PRO  91  -0.332   5.649   7.716
  697    HB3  PRO  91           3HB      PRO  91   0.767   4.375   7.106
  698    HG2  PRO  91           2HG      PRO  91   0.504   6.743   5.787
  699    HG3  PRO  91           3HG      PRO  91   0.626   5.202   4.884
  700    HD2  PRO  91           2HD      PRO  91  -1.816   6.870   5.423
  701    HD3  PRO  91           3HD      PRO  91  -1.388   5.897   3.989
  702    H    ARG  92           H        ARG  92  -2.881   5.590   7.960
  703    HA   ARG  92           HA       ARG  92  -4.295   3.490   9.387
  704    HB2  ARG  92           2HB      ARG  92  -2.228   4.200  10.810
  705    HB3  ARG  92           3HB      ARG  92  -3.031   5.761  10.995
  706    HG2  ARG  92           2HG      ARG  92  -4.964   4.606  12.093
  707    HG3  ARG  92           3HG      ARG  92  -4.204   3.040  11.774
  708    HD2  ARG  92           2HD      ARG  92  -3.841   3.637  14.082
  709    HD3  ARG  92           3HD      ARG  92  -2.288   3.693  13.226
  710    HE   ARG  92           HE       ARG  92  -3.463   6.282  13.146
  711   HH11  ARG  92          1HH1      ARG  92  -2.021   4.135  15.590
  712   HH12  ARG  92          2HH1      ARG  92  -1.480   5.436  16.586
  713   HH21  ARG  92          1HH2      ARG  92  -2.766   7.933  14.381
  714   HH22  ARG  92          2HH2      ARG  92  -1.922   7.695  15.885
  715    H    LEU  93           H        LEU  93  -6.297   4.624  10.446
  716    HA   LEU  93           HA       LEU  93  -7.504   6.306   8.552
  717    HB2  LEU  93           2HB      LEU  93  -8.707   4.858  10.167
  718    HB3  LEU  93           3HB      LEU  93  -8.217   5.925  11.487
  719    HG   LEU  93           HG       LEU  93  -9.560   7.770  10.521
  720   HD11  LEU  93          1HD1      LEU  93 -10.362   5.728   8.392
  721   HD12  LEU  93          2HD1      LEU  93 -11.163   7.290   8.664
  722   HD13  LEU  93          3HD1      LEU  93  -9.489   7.253   8.119
  723   HD21  LEU  93          3HD2      LEU  93 -11.770   6.816  10.983
  724   HD22  LEU  93          1HD2      LEU  93 -11.119   5.171  10.811
  725   HD23  LEU  93          2HD2      LEU  93 -10.573   6.217  12.140
  726    H    THR  94           H        THR  94  -5.547   7.184  11.372
  727    HA   THR  94           HA       THR  94  -6.289   9.944  11.482
  728    HB   THR  94           HB       THR  94  -4.112  10.057  12.825
  729    HG1  THR  94           1HG      THR  94  -3.019   8.318  11.903
  730   HG21  THR  94          3HG2      THR  94  -6.325   9.601  13.883
  731   HG22  THR  94          1HG2      THR  94  -6.072   7.858  13.636
  732   HG23  THR  94          2HG2      THR  94  -4.992   8.777  14.706
  733    H    SER  95           H        SER  95  -4.257   8.196   9.229
  734    HA   SER  95           HA       SER  95  -2.501  10.387   8.558
  735    HB2  SER  95           2HB      SER  95  -3.059   7.850   6.998
  736    HB3  SER  95           3HB      SER  95  -1.584   8.825   6.988
  737    HG   SER  95           HG       SER  95  -1.230   8.164   9.148
  738    H    ASN  96           H        ASN  96  -5.216  11.265   8.374
  739    HA   ASN  96           HA       ASN  96  -5.377  12.110   5.577
  740    HB2  ASN  96           2HB      ASN  96  -6.848  10.148   5.484
  741    HB3  ASN  96           3HB      ASN  96  -7.635  10.623   7.000
  742   HD21  ASN  96          2HD2      ASN  96  -6.930  11.959   3.704
  743   HD22  ASN  96          1HD2      ASN  96  -8.441  12.834   3.574
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1 -27.956 -21.073  18.413
    2    H2   MET   1           H2       MET   1 -27.406 -19.561  18.691
    3    H3   MET   1           H3       MET   1 -29.022 -19.863  18.707
    4    HA   MET   1           HA       MET   1 -28.975 -20.432  16.370
    5    HB2  MET   1           2HB      MET   1 -29.425 -18.052  17.155
    6    HB3  MET   1           3HB      MET   1 -27.725 -17.687  16.835
    7    HG2  MET   1           2HG      MET   1 -28.122 -18.453  14.441
    8    HG3  MET   1           3HG      MET   1 -29.834 -18.586  14.825
    9    HE1  MET   1           3HE      MET   1 -30.939 -14.874  15.295
   10    HE2  MET   1           1HE      MET   1 -31.449 -16.573  15.190
   11    HE3  MET   1           2HE      MET   1 -30.506 -16.008  16.590
   12    H    GLY   2           H        GLY   2 -27.726 -21.022  14.527
   13    HA2  GLY   2           2HA      GLY   2 -24.955 -20.286  14.282
   14    HA3  GLY   2           3HA      GLY   2 -25.154 -21.967  14.799
   15    H    HIS   3           H        HIS   3 -23.947 -21.476  12.473
   16    HA   HIS   3           HA       HIS   3 -25.667 -22.824  10.500
   17    HB2  HIS   3           2HB      HIS   3 -24.036 -20.294   9.947
   18    HB3  HIS   3           3HB      HIS   3 -24.464 -21.454   8.702
   19    HD1  HIS   3           1HD      HIS   3 -27.456 -21.042  10.858
   20    HD2  HIS   3           2HD      HIS   3 -25.539 -19.010   7.712
   21    HE1  HIS   3           1HE      HIS   3 -29.213 -19.508   9.822
   22    H    HIS   4           H        HIS   4 -24.547 -24.678  10.403
   23    HA   HIS   4           HA       HIS   4 -23.014 -26.262  10.427
   24    HB2  HIS   4           2HB      HIS   4 -21.931 -24.986   8.598
   25    HB3  HIS   4           3HB      HIS   4 -20.900 -24.186   9.785
   26    HD1  HIS   4           1HD      HIS   4 -21.482 -27.719   8.308
   27    HD2  HIS   4           2HD      HIS   4 -18.777 -25.500  10.656
   28    HE1  HIS   4           1HE      HIS   4 -19.423 -29.184   8.601
   29    H    HIS   5           H        HIS   5 -22.060 -23.393  12.333
   30    HA   HIS   5           HA       HIS   5 -21.932 -25.066  14.712
   31    HB2  HIS   5           2HB      HIS   5 -19.538 -24.920  13.776
   32    HB3  HIS   5           3HB      HIS   5 -19.614 -23.185  14.079
   33    HD1  HIS   5           1HD      HIS   5 -19.741 -26.543  16.025
   34    HD2  HIS   5           2HD      HIS   5 -19.157 -22.411  16.600
   35    HE1  HIS   5           1HE      HIS   5 -19.038 -26.252  18.452
   36    H    HIS   6           H        HIS   6 -21.795 -23.505  16.652
   37    HA   HIS   6           HA       HIS   6 -23.838 -21.613  16.658
   38    HB2  HIS   6           2HB      HIS   6 -21.393 -21.534  18.461
   39    HB3  HIS   6           3HB      HIS   6 -23.026 -20.991  18.831
   40    HD1  HIS   6           1HD      HIS   6 -20.833 -24.063  18.953
   41    HD2  HIS   6           2HD      HIS   6 -24.918 -23.039  19.190
   42    HE1  HIS   6           1HE      HIS   6 -22.030 -26.093  19.927
   43    H    HIS   7           H        HIS   7 -23.947 -19.381  16.363
   44    HA   HIS   7           HA       HIS   7 -21.781 -18.005  14.961
   45    HB2  HIS   7           2HB      HIS   7 -24.359 -16.985  16.231
   46    HB3  HIS   7           3HB      HIS   7 -23.257 -16.016  15.258
   47    HD1  HIS   7           1HD      HIS   7 -26.336 -16.600  14.412
   48    HD2  HIS   7           2HD      HIS   7 -22.847 -18.460  12.965
   49    HE1  HIS   7           1HE      HIS   7 -26.917 -17.539  12.119
   50    H    HIS   8           H        HIS   8 -20.568 -16.222  15.821
   51    HA   HIS   8           HA       HIS   8 -20.560 -15.652  18.668
   52    HB2  HIS   8           2HB      HIS   8 -19.181 -17.800  18.369
   53    HB3  HIS   8           3HB      HIS   8 -18.072 -16.865  17.372
   54    HD1  HIS   8           1HD      HIS   8 -16.533 -15.036  18.739
   55    HD2  HIS   8           2HD      HIS   8 -19.137 -17.447  21.017
   56    HE1  HIS   8           1HE      HIS   8 -15.792 -14.801  21.168
   57    H    LEU   9           H        LEU   9 -19.018 -13.842  19.070
   58    HA   LEU   9           HA       LEU   9 -18.884 -11.851  17.001
   59    HB2  LEU   9           2HB      LEU   9 -18.944 -11.354  19.436
   60    HB3  LEU   9           3HB      LEU   9 -17.389 -12.161  19.643
   61    HG   LEU   9           HG       LEU   9 -16.288 -10.425  18.244
   62   HD11  LEU   9          1HD1      LEU   9 -17.522  -8.337  17.691
   63   HD12  LEU   9          2HD1      LEU   9 -18.172  -9.712  16.801
   64   HD13  LEU   9          3HD1      LEU   9 -19.040  -9.094  18.220
   65   HD21  LEU   9          3HD2      LEU   9 -16.403 -10.178  20.687
   66   HD22  LEU   9          1HD2      LEU   9 -16.450  -8.604  19.880
   67   HD23  LEU   9          2HD2      LEU   9 -17.945  -9.306  20.541
   68    H    ASP  10           H        ASP  10 -17.024 -11.177  15.776
   69    HA   ASP  10           HA       ASP  10 -14.588 -12.853  15.846
   70    HB2  ASP  10           2HB      ASP  10 -16.062 -13.783  14.106
   71    HB3  ASP  10           3HB      ASP  10 -16.290 -12.168  13.427
   72    H    SER  11           H        SER  11 -12.773 -11.724  14.865
   73    HA   SER  11           HA       SER  11 -12.559  -9.061  15.772
   74    HB2  SER  11           2HB      SER  11 -10.751 -10.536  13.814
   75    HB3  SER  11           3HB      SER  11 -10.300  -9.209  14.899
   76    HG   SER  11           HG       SER  11  -9.705 -11.268  15.729
   77    H    TYR  12           H        TYR  12 -12.000  -7.146  14.590
   78    HA   TYR  12           HA       TYR  12 -13.491  -6.613  12.159
   79    HB2  TYR  12           2HB      TYR  12 -12.407  -4.402  12.317
   80    HB3  TYR  12           3HB      TYR  12 -13.182  -4.868  13.816
   81    HD1  TYR  12           1HD      TYR  12  -9.918  -4.311  12.137
   82    HD2  TYR  12           2HD      TYR  12 -11.882  -5.264  15.862
   83    HE1  TYR  12           1HE      TYR  12  -7.791  -3.960  13.339
   84    HE2  TYR  12           2HE      TYR  12  -9.758  -4.919  17.075
   85    HH   TYR  12           HH       TYR  12  -7.499  -4.378  16.906
   86    H    ALA  13           H        ALA  13 -12.281  -5.630  10.245
   87    HA   ALA  13           HA       ALA  13  -9.906  -7.282   9.535
   88    HB1  ALA  13           3HB      ALA  13 -11.850  -7.567   8.041
   89    HB2  ALA  13           1HB      ALA  13 -11.901  -5.810   7.755
   90    HB3  ALA  13           2HB      ALA  13 -10.513  -6.763   7.197
   91    HA   PRO  14           HA       PRO  14  -7.327  -3.618   9.655
   92    HB2  PRO  14           2HB      PRO  14  -6.415  -4.476   6.900
   93    HB3  PRO  14           3HB      PRO  14  -5.430  -3.952   8.300
   94    HG2  PRO  14           2HG      PRO  14  -5.669  -6.589   7.704
   95    HG3  PRO  14           3HG      PRO  14  -5.759  -6.038   9.410
   96    HD2  PRO  14           2HD      PRO  14  -8.024  -6.780   7.556
   97    HD3  PRO  14           3HD      PRO  14  -7.786  -7.175   9.285
   98    H    ARG  15           H        ARG  15  -7.619  -1.465   9.043
   99    HA   ARG  15           HA       ARG  15  -9.937  -0.969   7.357
  100    HB2  ARG  15           2HB      ARG  15  -7.997   1.105   8.448
  101    HB3  ARG  15           3HB      ARG  15  -9.642   1.361   7.884
  102    HG2  ARG  15           2HG      ARG  15  -8.682   0.150  10.470
  103    HG3  ARG  15           3HG      ARG  15  -9.811   1.465  10.217
  104    HD2  ARG  15           2HD      ARG  15 -10.303  -1.511   9.857
  105    HD3  ARG  15           3HD      ARG  15 -10.972  -0.466  11.098
  106    HE   ARG  15           HE       ARG  15 -12.122   0.775   9.206
  107   HH11  ARG  15          1HH1      ARG  15 -11.467  -2.745   9.006
  108   HH12  ARG  15          2HH1      ARG  15 -12.812  -3.040   7.964
  109   HH21  ARG  15          1HH2      ARG  15 -13.880   0.332   7.817
  110   HH22  ARG  15          2HH2      ARG  15 -14.202  -1.270   7.279
  111    H    ALA  16           H        ALA  16 -10.017   0.015   5.333
  112    HA   ALA  16           HA       ALA  16  -7.638   0.439   3.703
  113    HB1  ALA  16           3HB      ALA  16  -8.328  -1.441   2.143
  114    HB2  ALA  16           1HB      ALA  16  -7.754  -2.024   3.711
  115    HB3  ALA  16           2HB      ALA  16  -9.498  -1.968   3.352
  116    H    GLU  17           H        GLU  17  -8.510   0.852   1.363
  117    HA   GLU  17           HA       GLU  17 -11.376   1.611   1.313
  118    HB2  GLU  17           2HB      GLU  17 -10.972   3.801   0.379
  119    HB3  GLU  17           3HB      GLU  17 -10.255   3.652   1.975
  120    HG2  GLU  17           2HG      GLU  17  -8.016   3.399   0.986
  121    HG3  GLU  17           3HG      GLU  17  -8.700   3.408  -0.643
  122    H    ALA  18           H        ALA  18  -8.934  -0.110  -0.174
  123    HA   ALA  18           HA       ALA  18 -10.666  -0.457  -2.503
  124    HB1  ALA  18           3HB      ALA  18  -8.740  -0.333  -4.083
  125    HB2  ALA  18           1HB      ALA  18  -9.078   1.240  -3.336
  126    HB3  ALA  18           2HB      ALA  18  -7.708   0.267  -2.766
  127    H    GLU  19           H        GLU  19 -10.463  -2.578  -3.320
  128    HA   GLU  19           HA       GLU  19  -8.234  -4.226  -2.630
  129    HB2  GLU  19           2HB      GLU  19  -9.576  -6.061  -1.603
  130    HB3  GLU  19           3HB      GLU  19  -9.403  -4.640  -0.578
  131    HG2  GLU  19           2HG      GLU  19 -11.716  -3.925  -1.167
  132    HG3  GLU  19           3HG      GLU  19 -11.890  -5.365  -2.178
  133    H    LYS  20           H        LYS  20  -8.046  -5.924  -4.151
  134    HA   LYS  20           HA       LYS  20 -10.129  -6.589  -6.024
  135    HB2  LYS  20           2HB      LYS  20  -8.871  -4.108  -6.564
  136    HB3  LYS  20           3HB      LYS  20  -7.963  -5.238  -7.557
  137    HG2  LYS  20           2HG      LYS  20 -10.096  -6.041  -8.576
  138    HG3  LYS  20           3HG      LYS  20 -10.987  -4.896  -7.551
  139    HD2  LYS  20           2HD      LYS  20  -9.664  -3.014  -8.607
  140    HD3  LYS  20           3HD      LYS  20  -8.893  -4.199  -9.662
  141    HE2  LYS  20           2HE      LYS  20 -10.668  -3.119 -10.879
  142    HE3  LYS  20           3HE      LYS  20 -11.119  -4.806 -10.609
  143    HZ1  LYS  20           3HZ      LYS  20 -12.924  -3.191 -10.177
  144    HZ2  LYS  20           1HZ      LYS  20 -12.591  -4.085  -8.855
  145    HZ3  LYS  20           2HZ      LYS  20 -12.062  -2.534  -8.940
  146    H    THR  21           H        THR  21  -8.985  -7.750  -8.002
  147    HA   THR  21           HA       THR  21  -6.711  -9.378  -6.982
  148    HB   THR  21           HB       THR  21  -8.400  -9.792  -9.479
  149    HG1  THR  21           1HG      THR  21  -9.669  -9.987  -7.602
  150   HG21  THR  21          3HG2      THR  21  -7.531 -12.119  -9.322
  151   HG22  THR  21          1HG2      THR  21  -6.221 -10.955  -9.541
  152   HG23  THR  21          2HG2      THR  21  -6.523 -11.648  -7.933
  153    H    PHE  22           H        PHE  22  -4.723  -9.259  -8.066
  154    HA   PHE  22           HA       PHE  22  -4.402  -7.276 -10.251
  155    HB2  PHE  22           2HB      PHE  22  -2.850  -7.380  -7.631
  156    HB3  PHE  22           3HB      PHE  22  -2.403  -6.407  -9.020
  157    HD1  PHE  22           2HD      PHE  22  -3.698  -4.398  -9.669
  158    HD2  PHE  22           1HD      PHE  22  -4.732  -6.719  -6.186
  159    HE1  PHE  22           2HE      PHE  22  -5.071  -2.514  -8.817
  160    HE2  PHE  22           1HE      PHE  22  -6.079  -4.824  -5.322
  161    HZ   PHE  22           HZ       PHE  22  -6.263  -2.725  -6.645
  162    H    SER  23           H        SER  23  -2.269  -7.448 -11.210
  163    HA   SER  23           HA       SER  23  -0.596  -9.754 -10.875
  164    HB2  SER  23           2HB      SER  23  -0.872 -10.423 -13.307
  165    HB3  SER  23           3HB      SER  23  -2.201 -10.870 -12.231
  166    HG   SER  23           HG       SER  23  -2.964  -9.977 -14.179
  167    H    TYR  24           H        TYR  24   1.115  -9.489 -12.907
  168    HA   TYR  24           HA       TYR  24   1.765  -6.604 -13.096
  169    HB2  TYR  24           2HB      TYR  24   3.601  -8.816 -12.116
  170    HB3  TYR  24           3HB      TYR  24   4.085  -7.152 -12.378
  171    HD1  TYR  24           1HD      TYR  24   2.931  -5.296 -10.994
  172    HD2  TYR  24           2HD      TYR  24   2.635  -9.490 -10.062
  173    HE1  TYR  24           1HE      TYR  24   2.101  -4.729  -8.733
  174    HE2  TYR  24           2HE      TYR  24   1.759  -8.946  -7.804
  175    HH   TYR  24           HH       TYR  24   1.109  -7.212  -6.354
  176    HA   PRO  25           HA       PRO  25   4.042  -5.689 -13.977
  177    HB2  PRO  25           2HB      PRO  25   4.416  -4.168 -16.209
  178    HB3  PRO  25           3HB      PRO  25   5.522  -5.481 -15.712
  179    HG2  PRO  25           2HG      PRO  25   3.279  -5.611 -17.750
  180    HG3  PRO  25           3HG      PRO  25   4.969  -6.184 -17.923
  181    HD2  PRO  25           2HD      PRO  25   2.943  -7.878 -17.246
  182    HD3  PRO  25           3HD      PRO  25   4.575  -8.058 -16.542
  183    H    LEU  26           H        LEU  26   1.292  -5.960 -16.148
  184    HA   LEU  26           HA       LEU  26  -0.545  -4.753 -16.560
  185    HB2  LEU  26           2HB      LEU  26  -0.839  -6.166 -14.490
  186    HB3  LEU  26           3HB      LEU  26  -0.770  -4.697 -13.537
  187    HG   LEU  26           HG       LEU  26  -2.806  -5.427 -15.694
  188   HD11  LEU  26          1HD1      LEU  26  -4.381  -5.604 -13.808
  189   HD12  LEU  26          2HD1      LEU  26  -3.006  -6.690 -13.585
  190   HD13  LEU  26          3HD1      LEU  26  -3.087  -5.174 -12.667
  191   HD21  LEU  26          3HD2      LEU  26  -4.145  -3.482 -14.921
  192   HD22  LEU  26          1HD2      LEU  26  -2.781  -2.944 -13.925
  193   HD23  LEU  26          2HD2      LEU  26  -2.653  -2.986 -15.704
  194    H    ASP  27           H        ASP  27   0.042  -2.915 -13.571
  195    HA   ASP  27           HA       ASP  27   0.875  -0.496 -14.839
  196    HB2  ASP  27           2HB      ASP  27  -1.480  -0.314 -15.545
  197    HB3  ASP  27           3HB      ASP  27  -2.022  -0.599 -13.890
  198    H    LEU  28           H        LEU  28  -0.804  -2.018 -12.059
  199    HA   LEU  28           HA       LEU  28   0.107  -0.341  -9.981
  200    HB2  LEU  28           2HB      LEU  28  -1.607  -2.035  -9.614
  201    HB3  LEU  28           3HB      LEU  28  -0.488  -3.320 -10.086
  202    HG   LEU  28           HG       LEU  28   0.925  -2.824  -8.083
  203   HD11  LEU  28          1HD1      LEU  28   0.012  -1.442  -6.257
  204   HD12  LEU  28          2HD1      LEU  28   0.323  -0.457  -7.683
  205   HD13  LEU  28          3HD1      LEU  28  -1.341  -0.940  -7.291
  206   HD21  LEU  28          3HD2      LEU  28  -1.962  -3.400  -7.348
  207   HD22  LEU  28          1HD2      LEU  28  -0.861  -4.570  -8.114
  208   HD23  LEU  28          2HD2      LEU  28  -0.480  -3.941  -6.520
  209    H    LEU  29           H        LEU  29   2.108  -0.040  -9.105
  210    HA   LEU  29           HA       LEU  29   4.096  -2.218  -9.103
  211    HB2  LEU  29           2HB      LEU  29   4.636   0.616 -10.093
  212    HB3  LEU  29           3HB      LEU  29   5.906  -0.485  -9.589
  213    HG   LEU  29           HG       LEU  29   4.012  -1.017 -11.923
  214   HD11  LEU  29          1HD1      LEU  29   6.897  -0.044 -11.896
  215   HD12  LEU  29          2HD1      LEU  29   5.971  -0.518 -13.338
  216   HD13  LEU  29          3HD1      LEU  29   5.465   0.885 -12.393
  217   HD21  LEU  29          3HD2      LEU  29   4.901  -3.117 -10.961
  218   HD22  LEU  29          1HD2      LEU  29   5.655  -2.786 -12.519
  219   HD23  LEU  29          2HD2      LEU  29   6.554  -2.462 -11.019
  220    H    LEU  30           H        LEU  30   5.625  -1.912  -7.346
  221    HA   LEU  30           HA       LEU  30   4.613  -0.119  -5.185
  222    HB2  LEU  30           2HB      LEU  30   5.552  -3.016  -5.078
  223    HB3  LEU  30           3HB      LEU  30   5.534  -1.986  -3.670
  224    HG   LEU  30           HG       LEU  30   3.669  -3.445  -3.618
  225   HD11  LEU  30          1HD1      LEU  30   3.410  -1.159  -2.672
  226   HD12  LEU  30          2HD1      LEU  30   2.631  -0.646  -4.186
  227   HD13  LEU  30          3HD1      LEU  30   1.879  -1.894  -3.174
  228   HD21  LEU  30          3HD2      LEU  30   2.515  -2.188  -6.127
  229   HD22  LEU  30          1HD2      LEU  30   3.340  -3.766  -6.082
  230   HD23  LEU  30          2HD2      LEU  30   1.851  -3.513  -5.162
  231    H    LYS  31           H        LYS  31   6.246   0.653  -3.715
  232    HA   LYS  31           HA       LYS  31   9.052  -0.081  -4.237
  233    HB2  LYS  31           2HB      LYS  31   9.854   2.215  -4.262
  234    HB3  LYS  31           3HB      LYS  31   8.762   1.917  -5.593
  235    HG2  LYS  31           2HG      LYS  31   8.127   4.011  -4.953
  236    HG3  LYS  31           3HG      LYS  31   6.925   3.049  -4.102
  237    HD2  LYS  31           2HD      LYS  31   8.165   3.328  -1.988
  238    HD3  LYS  31           3HD      LYS  31   9.487   4.143  -2.822
  239    HE2  LYS  31           2HE      LYS  31   6.607   5.158  -2.748
  240    HE3  LYS  31           3HE      LYS  31   7.827   5.606  -1.556
  241    HZ1  LYS  31           3HZ      LYS  31   9.148   6.581  -3.346
  242    HZ2  LYS  31           1HZ      LYS  31   8.019   6.182  -4.460
  243    HZ3  LYS  31           2HZ      LYS  31   7.673   7.263  -3.294
  244    H    LEU  32           H        LEU  32  10.423   0.403  -2.373
  245    HA   LEU  32           HA       LEU  32   8.938   0.331   0.199
  246    HB2  LEU  32           2HB      LEU  32  10.528  -1.447  -0.086
  247    HB3  LEU  32           3HB      LEU  32  11.768  -0.340  -0.675
  248    HG   LEU  32           HG       LEU  32  12.003   0.638   1.588
  249   HD11  LEU  32          1HD1      LEU  32   9.888   0.338   2.660
  250   HD12  LEU  32          2HD1      LEU  32   9.872  -1.404   2.328
  251   HD13  LEU  32          3HD1      LEU  32  11.002  -0.722   3.519
  252   HD21  LEU  32          3HD2      LEU  32  12.236  -2.399   1.501
  253   HD22  LEU  32          1HD2      LEU  32  13.415  -1.242   0.852
  254   HD23  LEU  32          2HD2      LEU  32  13.113  -1.300   2.591
  255    H    HIS  33           H        HIS  33   8.941   2.125   1.518
  256    HA   HIS  33           HA       HIS  33  11.238   3.905   1.585
  257    HB2  HIS  33           2HB      HIS  33   9.853   4.983  -0.179
  258    HB3  HIS  33           3HB      HIS  33   8.468   5.000   0.917
  259    HD1  HIS  33           1HD      HIS  33   8.401   6.992   2.692
  260    HD2  HIS  33           2HD      HIS  33  11.962   6.646   0.468
  261    HE1  HIS  33           1HE      HIS  33   9.771   9.074   3.207
  262    H    ASP  34           H        ASP  34  11.455   4.692   3.662
  263    HA   ASP  34           HA       ASP  34  11.294   4.571   5.908
  264    HB2  ASP  34           2HB      ASP  34  10.099   6.622   5.287
  265    HB3  ASP  34           3HB      ASP  34   8.568   5.743   5.295
  266    H    GLU  35           H        GLU  35  11.063   2.086   5.145
  267    HA   GLU  35           HA       GLU  35  10.430   0.010   5.688
  268    HB2  GLU  35           2HB      GLU  35   9.601   1.381   8.276
  269    HB3  GLU  35           3HB      GLU  35   9.692  -0.359   8.085
  270    HG2  GLU  35           2HG      GLU  35  12.026   1.562   7.769
  271    HG3  GLU  35           3HG      GLU  35  11.696   0.536   9.163
  272    H    ARG  36           H        ARG  36   8.315   1.707   4.289
  273    HA   ARG  36           HA       ARG  36   6.180  -0.333   4.655
  274    HB2  ARG  36           2HB      ARG  36   5.768   2.614   4.028
  275    HB3  ARG  36           3HB      ARG  36   4.506   1.377   4.065
  276    HG2  ARG  36           2HG      ARG  36   4.928   1.019   6.501
  277    HG3  ARG  36           3HG      ARG  36   6.183   2.262   6.451
  278    HD2  ARG  36           2HD      ARG  36   4.312   3.819   5.489
  279    HD3  ARG  36           3HD      ARG  36   3.196   2.581   6.069
  280    HE   ARG  36           HE       ARG  36   3.579   3.255   8.246
  281   HH11  ARG  36          1HH2      ARG  36   6.191   4.547   6.241
  282   HH12  ARG  36          2HH2      ARG  36   6.824   5.602   7.452
  283   HH21  ARG  36          1HH1      ARG  36   4.394   4.702   9.879
  284   HH22  ARG  36          2HH1      ARG  36   5.740   5.720   9.533
  285    H    VAL  37           H        VAL  37   5.057  -0.850   2.636
  286    HA   VAL  37           HA       VAL  37   6.569   0.022   0.229
  287    HB   VAL  37           HB       VAL  37   5.274  -1.889  -0.886
  288   HG11  VAL  37          1HG1      VAL  37   7.539  -2.429   1.079
  289   HG12  VAL  37          2HG1      VAL  37   7.045  -3.508  -0.244
  290   HG13  VAL  37          3HG1      VAL  37   7.692  -1.896  -0.605
  291   HG21  VAL  37          3HG2      VAL  37   5.283  -3.079   1.902
  292   HG22  VAL  37          1HG2      VAL  37   3.847  -2.316   1.229
  293   HG23  VAL  37          2HG2      VAL  37   4.564  -3.723   0.420
  294    H    LEU  38           H        LEU  38   5.624   1.252  -1.239
  295    HA   LEU  38           HA       LEU  38   2.796   2.084  -0.775
  296    HB2  LEU  38           2HB      LEU  38   5.131   3.811  -1.697
  297    HB3  LEU  38           3HB      LEU  38   3.464   4.313  -1.555
  298    HG   LEU  38           HG       LEU  38   4.537   5.294   0.220
  299   HD11  LEU  38          1HD1      LEU  38   2.388   4.257   0.869
  300   HD12  LEU  38          2HD1      LEU  38   3.261   2.831   1.471
  301   HD13  LEU  38          3HD1      LEU  38   3.507   4.414   2.234
  302   HD21  LEU  38          3HD2      LEU  38   6.042   4.316   1.794
  303   HD22  LEU  38          1HD2      LEU  38   5.749   2.686   1.181
  304   HD23  LEU  38          2HD2      LEU  38   6.600   3.866   0.172
  305    H    VAL  39           H        VAL  39   1.686   2.741  -2.631
  306    HA   VAL  39           HA       VAL  39   2.145   1.410  -5.121
  307    HB   VAL  39           HB       VAL  39   0.379   3.773  -4.345
  308   HG11  VAL  39          1HG1      VAL  39   0.682   3.653  -6.816
  309   HG12  VAL  39          2HG1      VAL  39   0.194   1.944  -6.781
  310   HG13  VAL  39          3HG1      VAL  39  -0.961   3.219  -6.345
  311   HG21  VAL  39          3HG2      VAL  39  -0.320   0.820  -4.629
  312   HG22  VAL  39          1HG2      VAL  39  -0.177   1.688  -3.086
  313   HG23  VAL  39          2HG2      VAL  39  -1.447   2.131  -4.227
  314    H    ALA  40           H        ALA  40   3.982   1.846  -6.196
  315    HA   ALA  40           HA       ALA  40   5.223   4.488  -6.334
  316    HB1  ALA  40           3HB      ALA  40   6.546   2.369  -6.479
  317    HB2  ALA  40           1HB      ALA  40   5.704   1.954  -7.983
  318    HB3  ALA  40           2HB      ALA  40   6.751   3.386  -7.918
  319    H    PHE  41           H        PHE  41   3.131   2.410  -8.304
  320    HA   PHE  41           HA       PHE  41   2.148   4.701  -9.851
  321    HB2  PHE  41           2HB      PHE  41   3.289   2.184 -11.148
  322    HB3  PHE  41           3HB      PHE  41   2.289   3.365 -11.965
  323    HD1  PHE  41           1HD      PHE  41   3.133   5.635 -12.501
  324    HD2  PHE  41           2HD      PHE  41   5.672   2.665 -10.668
  325    HE1  PHE  41           1HE      PHE  41   5.138   6.965 -13.108
  326    HE2  PHE  41           2HE      PHE  41   7.670   3.995 -11.282
  327    HZ   PHE  41           HZ       PHE  41   7.410   6.150 -12.502
  328    H    GLY  42           H        GLY  42  -0.054   4.415 -10.154
  329    HA2  GLY  42           2HA      GLY  42  -1.545   2.155 -10.556
  330    HA3  GLY  42           3HA      GLY  42  -1.421   2.270  -8.790
  331    H    GLN  43           H        GLN  43  -3.776   2.768 -10.664
  332    HA   GLN  43           HA       GLN  43  -4.611   5.422  -9.698
  333    HB2  GLN  43           2HB      GLN  43  -4.236   4.623 -12.626
  334    HB3  GLN  43           3HB      GLN  43  -5.335   5.897 -12.146
  335    HG2  GLN  43           2HG      GLN  43  -2.332   5.956 -11.658
  336    HG3  GLN  43           3HG      GLN  43  -3.184   6.757 -12.963
  337   HE21  GLN  43          2HE2      GLN  43  -2.568   6.817  -9.491
  338   HE22  GLN  43          1HE2      GLN  43  -3.203   8.445  -9.227
  339    H    ARG  44           H        ARG  44  -6.800   5.754  -9.893
  340    HA   ARG  44           HA       ARG  44  -8.991   5.437  -9.945
  341    HB2  ARG  44           2HB      ARG  44  -8.546   3.273 -12.020
  342    HB3  ARG  44           3HB      ARG  44 -10.051   4.104 -11.692
  343    HG2  ARG  44           2HG      ARG  44  -7.555   5.377 -12.884
  344    HG3  ARG  44           3HG      ARG  44  -8.985   4.857 -13.745
  345    HD2  ARG  44           2HD      ARG  44  -9.226   7.186 -13.584
  346    HD3  ARG  44           3HD      ARG  44 -10.355   6.515 -12.416
  347    HE   ARG  44           HE       ARG  44  -9.248   7.606 -10.747
  348   HH11  ARG  44          1HH2      ARG  44  -7.118   7.678 -13.602
  349   HH12  ARG  44          2HH2      ARG  44  -5.820   8.463 -12.748
  350   HH21  ARG  44          1HH1      ARG  44  -7.500   8.737  -9.689
  351   HH22  ARG  44          2HH1      ARG  44  -6.037   9.044 -10.574
  352    H    ASP  45           H        ASP  45 -10.829   3.889  -9.652
  353    HA   ASP  45           HA       ASP  45 -11.882   2.822  -8.002
  354    HB2  ASP  45           2HB      ASP  45 -11.444   1.093  -9.721
  355    HB3  ASP  45           3HB      ASP  45 -10.042   0.551  -8.798
  356    H    GLY  46           H        GLY  46 -10.063   4.479  -6.874
  357    HA2  GLY  46           2HA      GLY  46  -9.530   4.972  -4.699
  358    HA3  GLY  46           3HA      GLY  46  -9.740   3.280  -4.247
  359    H    ILE  47           H        ILE  47  -7.699   2.718  -6.661
  360    HA   ILE  47           HA       ILE  47  -5.303   2.738  -4.993
  361    HB   ILE  47           HB       ILE  47  -5.584   2.122  -7.964
  362   HG12  ILE  47          2HG1      ILE  47  -7.061   0.591  -6.775
  363   HG13  ILE  47          3HG1      ILE  47  -5.655  -0.257  -7.385
  364   HG21  ILE  47          1HG2      ILE  47  -3.486   0.837  -7.635
  365   HG22  ILE  47          2HG2      ILE  47  -3.277   2.560  -7.299
  366   HG23  ILE  47          3HG2      ILE  47  -3.396   1.414  -5.958
  367   HD11  ILE  47          3HD1      ILE  47  -4.658  -0.333  -5.142
  368   HD12  ILE  47          1HD1      ILE  47  -5.995   0.637  -4.483
  369   HD13  ILE  47          2HD1      ILE  47  -6.303  -0.989  -5.101
  370    H    ARG  48           H        ARG  48  -3.788   4.335  -4.954
  371    HA   ARG  48           HA       ARG  48  -3.684   6.414  -7.031
  372    HB2  ARG  48           2HB      ARG  48  -4.313   6.906  -4.074
  373    HB3  ARG  48           3HB      ARG  48  -3.712   8.161  -5.162
  374    HG2  ARG  48           2HG      ARG  48  -5.702   7.865  -6.607
  375    HG3  ARG  48           3HG      ARG  48  -6.352   6.655  -5.495
  376    HD2  ARG  48           2HD      ARG  48  -5.670   9.479  -4.614
  377    HD3  ARG  48           3HD      ARG  48  -7.241   9.040  -5.299
  378    HE   ARG  48           HE       ARG  48  -6.840   7.209  -3.244
  379   HH11  ARG  48          1HH1      ARG  48  -7.003  10.747  -3.483
  380   HH12  ARG  48          2HH1      ARG  48  -7.791  10.963  -1.966
  381   HH21  ARG  48          1HH2      ARG  48  -7.993   7.486  -1.224
  382   HH22  ARG  48          2HH2      ARG  48  -8.318   9.084  -0.655
  383    H    VAL  49           H        VAL  49  -1.595   7.473  -6.964
  384    HA   VAL  49           HA       VAL  49   0.567   5.857  -6.045
  385    HB   VAL  49           HB       VAL  49   0.478   8.781  -6.915
  386   HG11  VAL  49          1HG1      VAL  49   2.868   6.895  -6.676
  387   HG12  VAL  49          2HG1      VAL  49   2.892   8.498  -7.436
  388   HG13  VAL  49          3HG1      VAL  49   2.581   8.358  -5.707
  389   HG21  VAL  49          3HG2      VAL  49  -0.312   7.261  -8.694
  390   HG22  VAL  49          1HG2      VAL  49   1.295   7.862  -9.095
  391   HG23  VAL  49          2HG2      VAL  49   1.104   6.218  -8.452
  392    H    GLY  50           H        GLY  50   1.864   6.010  -4.216
  393    HA2  GLY  50           2HA      GLY  50   2.638   6.812  -2.200
  394    HA3  GLY  50           3HA      GLY  50   1.493   8.157  -2.271
  395    H    HIS  51           H        HIS  51  -0.547   5.611  -2.768
  396    HA   HIS  51           HA       HIS  51  -1.288   5.334   0.068
  397    HB2  HIS  51           2HB      HIS  51  -2.389   4.257  -2.547
  398    HB3  HIS  51           3HB      HIS  51  -2.881   3.579  -1.018
  399    HD1  HIS  51           1HD      HIS  51  -2.515   7.331  -2.058
  400    HD2  HIS  51           2HD      HIS  51  -5.068   4.571  -0.173
  401    HE1  HIS  51           1HE      HIS  51  -4.511   8.667  -1.209
  402    H    ALA  52           H        ALA  52  -1.631   2.895   0.774
  403    HA   ALA  52           HA       ALA  52   0.983   1.510   0.320
  404    HB1  ALA  52           3HB      ALA  52  -0.553   1.926   2.918
  405    HB2  ALA  52           1HB      ALA  52   0.981   1.046   2.728
  406    HB3  ALA  52           2HB      ALA  52   0.925   2.802   2.450
  407    H    VAL  53           H        VAL  53   0.913  -0.733   0.371
  408    HA   VAL  53           HA       VAL  53  -1.715  -2.004   0.017
  409    HB   VAL  53           HB       VAL  53  -0.072  -2.929  -1.354
  410   HG11  VAL  53          1HG1      VAL  53   2.065  -3.916  -0.589
  411   HG12  VAL  53          2HG1      VAL  53   2.007  -2.164  -0.402
  412   HG13  VAL  53          3HG1      VAL  53   1.782  -3.213   1.019
  413   HG21  VAL  53          3HG2      VAL  53  -0.203  -4.885   0.966
  414   HG22  VAL  53          1HG2      VAL  53  -1.535  -4.571  -0.159
  415   HG23  VAL  53          2HG2      VAL  53  -0.006  -5.238  -0.760
  416    H    LEU  54           H        LEU  54  -2.712  -3.207   1.568
  417    HA   LEU  54           HA       LEU  54  -1.779  -2.869   4.375
  418    HB2  LEU  54           2HB      LEU  54  -4.316  -2.177   3.000
  419    HB3  LEU  54           3HB      LEU  54  -4.569  -3.184   4.406
  420    HG   LEU  54           HG       LEU  54  -4.713  -0.757   4.861
  421   HD11  LEU  54          1HD1      LEU  54  -3.420  -0.797   6.944
  422   HD12  LEU  54          2HD1      LEU  54  -4.205  -2.353   6.664
  423   HD13  LEU  54          3HD1      LEU  54  -2.464  -2.172   6.358
  424   HD21  LEU  54          3HD2      LEU  54  -2.923   0.058   3.353
  425   HD22  LEU  54          1HD2      LEU  54  -2.751   0.662   5.000
  426   HD23  LEU  54          2HD2      LEU  54  -1.699  -0.632   4.435
  427    H    ALA  55           H        ALA  55  -3.251  -5.096   1.957
  428    HA   ALA  55           HA       ALA  55  -2.019  -7.229   3.518
  429    HB1  ALA  55           3HB      ALA  55  -3.978  -8.644   3.757
  430    HB2  ALA  55           1HB      ALA  55  -4.290  -7.117   4.590
  431    HB3  ALA  55           2HB      ALA  55  -5.019  -7.419   2.993
  432    H    ILE  56           H        ILE  56  -1.892  -9.221   2.329
  433    HA   ILE  56           HA       ILE  56  -2.678  -9.115  -0.555
  434    HB   ILE  56           HB       ILE  56  -0.008 -10.123   0.522
  435   HG12  ILE  56          2HG1      ILE  56  -0.419  -7.852  -1.462
  436   HG13  ILE  56          3HG1      ILE  56  -0.272  -7.558   0.272
  437   HG21  ILE  56          1HG2      ILE  56  -1.230 -10.100  -2.284
  438   HG22  ILE  56          2HG2      ILE  56   0.465 -10.524  -1.941
  439   HG23  ILE  56          3HG2      ILE  56  -0.840 -11.523  -1.313
  440   HD11  ILE  56          3HD1      ILE  56   1.845  -7.218  -0.795
  441   HD12  ILE  56          1HD1      ILE  56   1.951  -8.603   0.312
  442   HD13  ILE  56          2HD1      ILE  56   1.868  -8.865  -1.441
  443    H    ASN  57           H        ASN  57  -3.704 -10.923  -1.136
  444    HA   ASN  57           HA       ASN  57  -5.163 -12.581  -0.762
  445    HB2  ASN  57           2HB      ASN  57  -4.171 -14.774  -0.898
  446    HB3  ASN  57           3HB      ASN  57  -3.368 -13.617  -1.930
  447   HD21  ASN  57          2HD2      ASN  57  -1.225 -14.079  -2.043
  448   HD22  ASN  57          1HD2      ASN  57  -0.226 -14.643  -0.732
  449    H    GLY  58           H        GLY  58  -4.803 -11.111   1.716
  450    HA2  GLY  58           2HA      GLY  58  -6.278 -11.372   3.560
  451    HA3  GLY  58           3HA      GLY  58  -6.024 -13.119   3.539
  452    H    MET  59           H        MET  59  -2.945 -12.267   3.140
  453    HA   MET  59           HA       MET  59  -2.275 -12.236   6.003
  454    HB2  MET  59           2HB      MET  59  -0.518 -12.155   3.510
  455    HB3  MET  59           3HB      MET  59   0.058 -12.196   5.180
  456    HG2  MET  59           2HG      MET  59  -1.630 -14.362   3.872
  457    HG3  MET  59           3HG      MET  59   0.123 -14.401   4.051
  458    HE1  MET  59           3HE      MET  59  -1.721 -16.778   4.969
  459    HE2  MET  59           1HE      MET  59   0.049 -16.764   5.165
  460    HE3  MET  59           2HE      MET  59  -0.996 -17.181   6.541
  461    H    ASP  60           H        ASP  60  -2.621 -10.338   6.944
  462    HA   ASP  60           HA       ASP  60  -2.518  -7.695   5.965
  463    HB2  ASP  60           2HB      ASP  60  -3.356  -8.401   8.179
  464    HB3  ASP  60           3HB      ASP  60  -1.727  -8.872   8.667
  465    H    VAL  61           H        VAL  61  -0.759  -6.237   5.592
  466    HA   VAL  61           HA       VAL  61   1.942  -7.466   5.848
  467    HB   VAL  61           HB       VAL  61   2.754  -5.880   4.223
  468   HG11  VAL  61          1HG1      VAL  61   0.438  -7.633   3.252
  469   HG12  VAL  61          2HG1      VAL  61   1.762  -7.004   2.252
  470   HG13  VAL  61          3HG1      VAL  61   2.109  -8.148   3.552
  471   HG21  VAL  61          3HG2      VAL  61   0.959  -4.105   4.396
  472   HG22  VAL  61          1HG2      VAL  61   1.352  -4.626   2.759
  473   HG23  VAL  61          2HG2      VAL  61  -0.121  -5.222   3.533
  474    H    ASN  62           H        ASN  62   3.118  -6.927   7.408
  475    HA   ASN  62           HA       ASN  62   2.712  -4.545   9.091
  476    HB2  ASN  62           2HB      ASN  62   3.251  -6.649  10.220
  477    HB3  ASN  62           3HB      ASN  62   4.651  -6.891   9.170
  478   HD21  ASN  62          2HD2      ASN  62   6.093  -6.967  11.009
  479   HD22  ASN  62          1HD2      ASN  62   6.515  -5.516  11.881
  480    H    GLY  63           H        GLY  63   3.115  -2.981   7.433
  481    HA2  GLY  63           2HA      GLY  63   4.435  -1.333   6.579
  482    HA3  GLY  63           3HA      GLY  63   5.829  -2.079   7.369
  483    H    ARG  64           H        ARG  64   6.801  -3.972   6.265
  484    HA   ARG  64           HA       ARG  64   6.289  -4.194   3.373
  485    HB2  ARG  64           2HB      ARG  64   8.657  -4.018   2.781
  486    HB3  ARG  64           3HB      ARG  64   8.012  -2.517   3.420
  487    HG2  ARG  64           2HG      ARG  64   9.458  -2.437   5.118
  488    HG3  ARG  64           3HG      ARG  64   9.251  -4.128   5.551
  489    HD2  ARG  64           2HD      ARG  64  10.920  -4.867   4.037
  490    HD3  ARG  64           3HD      ARG  64  10.885  -3.359   3.114
  491    HE   ARG  64           HE       ARG  64  11.624  -2.696   5.754
  492   HH11  ARG  64          1HH1      ARG  64  13.090  -4.580   3.072
  493   HH12  ARG  64          2HH1      ARG  64  14.693  -4.084   3.492
  494   HH21  ARG  64          1HH2      ARG  64  13.668  -1.999   6.196
  495   HH22  ARG  64          2HH2      ARG  64  15.047  -2.637   5.344
  496    H    TYR  65           H        TYR  65   6.129  -5.889   6.045
  497    HA   TYR  65           HA       TYR  65   7.170  -8.310   4.663
  498    HB2  TYR  65           2HB      TYR  65   7.233  -7.732   7.645
  499    HB3  TYR  65           3HB      TYR  65   7.613  -9.279   6.898
  500    HD1  TYR  65           1HD      TYR  65   9.679  -9.594   5.570
  501    HD2  TYR  65           2HD      TYR  65   8.811  -5.833   7.494
  502    HE1  TYR  65           1HE      TYR  65  12.016  -8.863   5.191
  503    HE2  TYR  65           2HE      TYR  65  11.136  -5.074   7.079
  504    HH   TYR  65           HH       TYR  65  13.251  -5.684   6.297
  505    H    THR  66           H        THR  66   5.711 -10.132   4.760
  506    HA   THR  66           HA       THR  66   2.935  -9.450   5.254
  507    HB   THR  66           HB       THR  66   2.538 -11.852   4.806
  508    HG1  THR  66           1HG      THR  66   4.266 -13.146   4.221
  509   HG21  THR  66          3HG2      THR  66   2.654 -10.307   2.922
  510   HG22  THR  66          1HG2      THR  66   4.416 -10.552   2.789
  511   HG23  THR  66          2HG2      THR  66   3.294 -11.893   2.473
  512    H    ALA  67           H        ALA  67   1.580 -10.758   6.694
  513    HA   ALA  67           HA       ALA  67   2.256 -10.868   9.394
  514    HB1  ALA  67           3HB      ALA  67   0.310 -12.446   9.531
  515    HB2  ALA  67           1HB      ALA  67  -0.038 -11.040   8.499
  516    HB3  ALA  67           2HB      ALA  67   0.358 -12.610   7.757
  517    H    ASP  68           H        ASP  68   2.698 -13.340   6.871
  518    HA   ASP  68           HA       ASP  68   3.724 -15.406   8.608
  519    HB2  ASP  68           2HB      ASP  68   2.749 -15.904   6.408
  520    HB3  ASP  68           3HB      ASP  68   4.047 -15.007   5.611
  521    H    GLY  69           H        GLY  69   5.239 -12.782   6.706
  522    HA2  GLY  69           2HA      GLY  69   7.112 -11.726   7.872
  523    HA3  GLY  69           3HA      GLY  69   7.840 -13.318   8.094
  524    H    LYS  70           H        LYS  70   6.404 -13.060   4.982
  525    HA   LYS  70           HA       LYS  70   8.994 -13.144   3.635
  526    HB2  LYS  70           2HB      LYS  70   6.181 -12.751   2.496
  527    HB3  LYS  70           3HB      LYS  70   7.618 -13.199   1.586
  528    HG2  LYS  70           2HG      LYS  70   6.288 -14.922   3.731
  529    HG3  LYS  70           3HG      LYS  70   6.059 -15.095   1.999
  530    HD2  LYS  70           2HD      LYS  70   8.459 -15.601   1.694
  531    HD3  LYS  70           3HD      LYS  70   8.716 -15.441   3.451
  532    HE2  LYS  70           2HE      LYS  70   7.079 -17.262   3.852
  533    HE3  LYS  70           3HE      LYS  70   6.836 -17.434   2.109
  534    HZ1  LYS  70           3HZ      LYS  70   8.399 -19.065   2.950
  535    HZ2  LYS  70           1HZ      LYS  70   9.172 -18.073   1.915
  536    HZ3  LYS  70           2HZ      LYS  70   9.393 -17.913   3.528
  537    H    GLU  71           H        GLU  71  10.000 -11.359   2.558
  538    HA   GLU  71           HA       GLU  71   9.048  -8.689   3.220
  539    HB2  GLU  71           2HB      GLU  71  11.460  -9.180   2.925
  540    HB3  GLU  71           3HB      GLU  71  11.178  -9.563   1.215
  541    HG2  GLU  71           2HG      GLU  71  10.423  -7.285   0.770
  542    HG3  GLU  71           3HG      GLU  71  10.396  -6.913   2.497
  543    H    VAL  72           H        VAL  72   7.591  -7.543   2.065
  544    HA   VAL  72           HA       VAL  72   5.888  -8.896   0.293
  545    HB   VAL  72           HB       VAL  72   6.193  -5.949   0.976
  546   HG11  VAL  72          1HG1      VAL  72   4.120  -7.343  -0.742
  547   HG12  VAL  72          2HG1      VAL  72   3.753  -5.836   0.121
  548   HG13  VAL  72          3HG1      VAL  72   5.033  -5.869  -1.103
  549   HG21  VAL  72          3HG2      VAL  72   5.520  -7.549   2.813
  550   HG22  VAL  72          1HG2      VAL  72   4.271  -6.363   2.417
  551   HG23  VAL  72          2HG2      VAL  72   4.134  -8.037   1.830
  552    H    LEU  73           H        LEU  73   8.560  -6.593  -0.522
  553    HA   LEU  73           HA       LEU  73   7.843  -6.474  -3.302
  554    HB2  LEU  73           2HB      LEU  73  10.554  -6.055  -1.968
  555    HB3  LEU  73           3HB      LEU  73  10.208  -5.740  -3.665
  556    HG   LEU  73           HG       LEU  73   9.006  -4.285  -1.286
  557   HD11  LEU  73          1HD1      LEU  73  10.220  -2.346  -2.237
  558   HD12  LEU  73          2HD1      LEU  73  11.321  -3.665  -1.802
  559   HD13  LEU  73          3HD1      LEU  73  10.893  -3.388  -3.505
  560   HD21  LEU  73          3HD2      LEU  73   7.976  -2.754  -2.992
  561   HD22  LEU  73          1HD2      LEU  73   8.429  -3.912  -4.260
  562   HD23  LEU  73          2HD2      LEU  73   7.263  -4.366  -2.993
  563    H    GLU  74           H        GLU  74   9.838  -8.792  -1.454
  564    HA   GLU  74           HA       GLU  74  10.808 -10.128  -3.868
  565    HB2  GLU  74           2HB      GLU  74  10.784 -10.938  -0.925
  566    HB3  GLU  74           3HB      GLU  74  11.549 -11.874  -2.208
  567    HG2  GLU  74           2HG      GLU  74  12.277  -8.999  -1.499
  568    HG3  GLU  74           3HG      GLU  74  13.124 -10.425  -0.907
  569    H    TYR  75           H        TYR  75   8.216 -10.623  -1.444
  570    HA   TYR  75           HA       TYR  75   7.261 -13.099  -2.363
  571    HB2  TYR  75           2HB      TYR  75   6.621 -11.951  -0.236
  572    HB3  TYR  75           3HB      TYR  75   5.676 -10.790  -1.153
  573    HD1  TYR  75           2HD      TYR  75   5.993 -14.378  -0.233
  574    HD2  TYR  75           1HD      TYR  75   3.448 -11.361  -1.974
  575    HE1  TYR  75           2HE      TYR  75   4.079 -15.930  -0.088
  576    HE2  TYR  75           1HE      TYR  75   1.526 -12.926  -1.884
  577    HH   TYR  75           HH       TYR  75   1.816 -16.244  -0.518
  578    H    LEU  76           H        LEU  76   6.222  -9.768  -3.288
  579    HA   LEU  76           HA       LEU  76   4.388 -10.705  -5.340
  580    HB2  LEU  76           2HB      LEU  76   5.635  -7.983  -4.744
  581    HB3  LEU  76           3HB      LEU  76   4.434  -8.254  -6.000
  582    HG   LEU  76           HG       LEU  76   3.943  -8.743  -3.028
  583   HD11  LEU  76          1HD1      LEU  76   2.560  -6.694  -3.162
  584   HD12  LEU  76          2HD1      LEU  76   4.263  -6.366  -3.511
  585   HD13  LEU  76          3HD1      LEU  76   3.091  -6.444  -4.838
  586   HD21  LEU  76          3HD2      LEU  76   2.481 -10.181  -4.304
  587   HD22  LEU  76          1HD2      LEU  76   1.523  -8.796  -3.773
  588   HD23  LEU  76          2HD2      LEU  76   2.100  -8.884  -5.447
  589    H    GLY  77           H        GLY  77   7.839  -9.775  -5.243
  590    HA2  GLY  77           2HA      GLY  77   8.261  -9.428  -8.009
  591    HA3  GLY  77           3HA      GLY  77   9.469  -9.925  -6.808
  592    H    ASN  78           H        ASN  78   8.264 -12.401  -5.994
  593    HA   ASN  78           HA       ASN  78   9.088 -14.237  -8.037
  594    HB2  ASN  78           2HB      ASN  78   9.125 -14.797  -5.656
  595    HB3  ASN  78           3HB      ASN  78   7.373 -14.615  -5.551
  596   HD21  ASN  78          2HD2      ASN  78   8.222 -16.961  -4.625
  597   HD22  ASN  78          1HD2      ASN  78   7.955 -18.247  -5.771
  598    HA   PRO  79           HA       PRO  79   5.250 -13.591 -10.263
  599    HB2  PRO  79           2HB      PRO  79   5.592 -15.166 -12.469
  600    HB3  PRO  79           3HB      PRO  79   6.392 -13.585 -12.213
  601    HG2  PRO  79           2HG      PRO  79   7.508 -16.358 -11.640
  602    HG3  PRO  79           3HG      PRO  79   8.303 -15.013 -12.522
  603    HD2  PRO  79           2HD      PRO  79   8.794 -15.504  -9.885
  604    HD3  PRO  79           3HD      PRO  79   8.727 -13.834 -10.524
  605    H    ALA  80           H        ALA  80   6.171 -16.603  -8.811
  606    HA   ALA  80           HA       ALA  80   3.783 -18.083  -9.362
  607    HB1  ALA  80           3HB      ALA  80   5.810 -19.034  -8.260
  608    HB2  ALA  80           1HB      ALA  80   5.467 -18.042  -6.818
  609    HB3  ALA  80           2HB      ALA  80   4.332 -19.308  -7.318
  610    H    ASN  81           H        ASN  81   4.313 -15.134  -7.588
  611    HA   ASN  81           HA       ASN  81   1.562 -15.241  -6.436
  612    HB2  ASN  81           2HB      ASN  81   3.873 -13.567  -5.446
  613    HB3  ASN  81           3HB      ASN  81   2.315 -13.769  -4.671
  614   HD21  ASN  81          2HD2      ASN  81   5.340 -14.417  -4.100
  615   HD22  ASN  81          1HD2      ASN  81   5.244 -15.998  -3.328
  616    H    TYR  82           H        TYR  82   2.696 -14.271  -9.222
  617    HA   TYR  82           HA       TYR  82   2.251 -11.411  -9.161
  618    HB2  TYR  82           2HB      TYR  82   2.378 -13.480 -11.350
  619    HB3  TYR  82           3HB      TYR  82   1.549 -11.974 -11.667
  620    HD1  TYR  82           2HD      TYR  82   4.384 -11.377  -9.447
  621    HD2  TYR  82           1HD      TYR  82   3.220 -11.992 -13.564
  622    HE1  TYR  82           2HE      TYR  82   6.452 -10.295 -10.185
  623    HE2  TYR  82           1HE      TYR  82   5.309 -10.906 -14.312
  624    HH   TYR  82           HH       TYR  82   7.754  -9.625 -12.004
  625    HA   PRO  83           HA       PRO  83  -2.301 -12.265 -10.020
  626    HB2  PRO  83           2HB      PRO  83  -3.399 -14.761 -10.062
  627    HB3  PRO  83           3HB      PRO  83  -2.664 -13.984 -11.495
  628    HG2  PRO  83           2HG      PRO  83  -1.399 -16.010  -9.627
  629    HG3  PRO  83           3HG      PRO  83  -1.385 -15.985 -11.416
  630    HD2  PRO  83           2HD      PRO  83   0.692 -15.039  -9.916
  631    HD3  PRO  83           3HD      PRO  83   0.236 -14.303 -11.481
  632    H    VAL  84           H        VAL  84  -2.716 -11.353  -7.988
  633    HA   VAL  84           HA       VAL  84  -3.452 -13.226  -5.824
  634    HB   VAL  84           HB       VAL  84  -2.241 -11.746  -4.142
  635   HG11  VAL  84          1HG1      VAL  84  -1.506 -14.041  -4.609
  636   HG12  VAL  84          2HG1      VAL  84  -0.431 -13.433  -5.881
  637   HG13  VAL  84          3HG1      VAL  84  -0.157 -12.962  -4.193
  638   HG21  VAL  84          3HG2      VAL  84  -0.272 -10.517  -4.768
  639   HG22  VAL  84          1HG2      VAL  84  -0.454 -10.959  -6.473
  640   HG23  VAL  84          2HG2      VAL  84  -1.640  -9.890  -5.705
  641    H    SER  85           H        SER  85  -4.766 -12.240  -4.175
  642    HA   SER  85           HA       SER  85  -6.285  -9.868  -5.044
  643    HB2  SER  85           2HB      SER  85  -6.542 -11.595  -2.548
  644    HB3  SER  85           3HB      SER  85  -7.705 -10.397  -3.144
  645    HG   SER  85           HG       SER  85  -8.292 -12.551  -3.703
  646    H    ILE  86           H        ILE  86  -6.067  -7.884  -3.910
  647    HA   ILE  86           HA       ILE  86  -4.109  -7.757  -1.689
  648    HB   ILE  86           HB       ILE  86  -3.974  -5.871  -4.068
  649   HG12  ILE  86          2HG1      ILE  86  -2.168  -8.267  -3.515
  650   HG13  ILE  86          3HG1      ILE  86  -3.252  -8.069  -4.893
  651   HG21  ILE  86          1HG2      ILE  86  -3.152  -4.945  -1.933
  652   HG22  ILE  86          2HG2      ILE  86  -2.087  -6.351  -1.729
  653   HG23  ILE  86          3HG2      ILE  86  -1.815  -5.181  -3.028
  654   HD11  ILE  86          3HD1      ILE  86  -1.099  -7.615  -5.718
  655   HD12  ILE  86          1HD1      ILE  86  -1.893  -6.036  -5.572
  656   HD13  ILE  86          2HD1      ILE  86  -0.686  -6.559  -4.366
  657    H    ARG  87           H        ARG  87  -4.489  -6.011  -0.307
  658    HA   ARG  87           HA       ARG  87  -6.961  -4.394  -0.750
  659    HB2  ARG  87           2HB      ARG  87  -5.941  -5.337   1.964
  660    HB3  ARG  87           3HB      ARG  87  -7.433  -4.473   1.599
  661    HG2  ARG  87           2HG      ARG  87  -8.185  -6.554   0.298
  662    HG3  ARG  87           3HG      ARG  87  -6.744  -7.367   0.913
  663    HD2  ARG  87           2HD      ARG  87  -8.580  -7.964   2.333
  664    HD3  ARG  87           3HD      ARG  87  -7.518  -6.901   3.254
  665    HE   ARG  87           HE       ARG  87 -10.075  -6.050   1.900
  666   HH11  ARG  87          1HH1      ARG  87  -7.935  -5.703   4.735
  667   HH12  ARG  87          2HH1      ARG  87  -8.924  -4.472   5.456
  668   HH21  ARG  87          1HH2      ARG  87 -11.301  -4.598   2.782
  669   HH22  ARG  87          2HH2      ARG  87 -10.989  -3.875   4.353
  670    H    PHE  88           H        PHE  88  -6.658  -2.223  -0.308
  671    HA   PHE  88           HA       PHE  88  -3.912  -1.267   0.352
  672    HB2  PHE  88           2HB      PHE  88  -5.740  -0.637  -2.001
  673    HB3  PHE  88           3HB      PHE  88  -4.508   0.486  -1.472
  674    HD1  PHE  88           2HD      PHE  88  -2.133   0.047  -1.734
  675    HD2  PHE  88           1HD      PHE  88  -5.112  -2.680  -3.246
  676    HE1  PHE  88           2HE      PHE  88  -0.413  -1.046  -3.145
  677    HE2  PHE  88           1HE      PHE  88  -3.400  -3.702  -4.732
  678    HZ   PHE  88           HZ       PHE  88  -1.046  -2.921  -4.638
  679    H    GLY  89           H        GLY  89  -3.841   0.870   1.173
  680    HA2  GLY  89           2HA      GLY  89  -6.263   2.388   1.702
  681    HA3  GLY  89           3HA      GLY  89  -5.554   1.627   3.139
  682    H    ARG  90           H        ARG  90  -5.307   3.965   3.721
  683    HA   ARG  90           HA       ARG  90  -3.137   5.529   2.490
  684    HB2  ARG  90           2HB      ARG  90  -4.371   5.633   5.291
  685    HB3  ARG  90           3HB      ARG  90  -3.240   6.795   4.651
  686    HG2  ARG  90           2HG      ARG  90  -5.331   7.833   4.558
  687    HG3  ARG  90           3HG      ARG  90  -4.886   7.461   2.896
  688    HD2  ARG  90           2HD      ARG  90  -7.295   7.093   3.453
  689    HD3  ARG  90           3HD      ARG  90  -6.498   5.667   2.792
  690    HE   ARG  90           HE       ARG  90  -6.303   5.507   5.620
  691   HH11  ARG  90          1HH1      ARG  90  -8.861   5.415   3.142
  692   HH12  ARG  90          2HH1      ARG  90  -9.954   4.518   4.154
  693   HH21  ARG  90          1HH2      ARG  90  -7.661   4.367   6.892
  694   HH22  ARG  90          2HH2      ARG  90  -9.253   3.882   6.369
  695    HA   PRO  91           HA       PRO  91   0.266   3.455   4.653
  696    HB2  PRO  91           2HB      PRO  91   0.830   6.133   5.963
  697    HB3  PRO  91           3HB      PRO  91   1.995   4.977   5.239
  698    HG2  PRO  91           2HG      PRO  91   1.237   7.167   3.844
  699    HG3  PRO  91           3HG      PRO  91   1.319   5.577   3.018
  700    HD2  PRO  91           2HD      PRO  91  -1.111   7.018   4.084
  701    HD3  PRO  91           3HD      PRO  91  -0.908   6.143   2.536
  702    H    ARG  92           H        ARG  92   0.799   2.691   6.814
  703    HA   ARG  92           HA       ARG  92  -1.425   1.974   8.186
  704    HB2  ARG  92           2HB      ARG  92   1.169   1.183   8.271
  705    HB3  ARG  92           3HB      ARG  92   1.119   2.077   9.789
  706    HG2  ARG  92           2HG      ARG  92   0.560  -0.154  10.375
  707    HG3  ARG  92           3HG      ARG  92  -0.992   0.688  10.348
  708    HD2  ARG  92           2HD      ARG  92  -1.075  -0.142   7.825
  709    HD3  ARG  92           3HD      ARG  92   0.178  -1.271   8.346
  710    HE   ARG  92           HE       ARG  92  -2.518  -0.988   9.628
  711   HH11  ARG  92          1HH1      ARG  92  -0.132  -3.223   8.074
  712   HH12  ARG  92          2HH1      ARG  92  -1.011  -4.622   8.586
  713   HH21  ARG  92          1HH2      ARG  92  -3.583  -2.882  10.239
  714   HH22  ARG  92          2HH2      ARG  92  -3.072  -4.420   9.512
  715    H    LEU  93           H        LEU  93   0.346   4.920   8.888
  716    HA   LEU  93           HA       LEU  93  -0.586   5.562  11.435
  717    HB2  LEU  93           2HB      LEU  93   1.102   6.826  10.143
  718    HB3  LEU  93           3HB      LEU  93  -0.149   7.359   9.017
  719    HG   LEU  93           HG       LEU  93  -1.245   8.663  10.819
  720   HD11  LEU  93          1HD1      LEU  93   1.098   7.733  12.547
  721   HD12  LEU  93          2HD1      LEU  93  -0.048   9.022  12.977
  722   HD13  LEU  93          3HD1      LEU  93  -0.619   7.362  12.817
  723   HD21  LEU  93          3HD2      LEU  93   0.479  10.396  11.020
  724   HD22  LEU  93          1HD2      LEU  93   1.733   9.231  10.538
  725   HD23  LEU  93          2HD2      LEU  93   0.463   9.707   9.390
  726    H    THR  94           H        THR  94  -2.410   5.511   8.409
  727    HA   THR  94           HA       THR  94  -4.841   6.399   9.879
  728    HB   THR  94           HB       THR  94  -4.387   7.124   6.982
  729    HG1  THR  94           1HG      THR  94  -2.634   8.026   7.991
  730   HG21  THR  94          3HG2      THR  94  -5.957   8.465   9.232
  731   HG22  THR  94          1HG2      THR  94  -5.863   9.027   7.548
  732   HG23  THR  94          2HG2      THR  94  -6.654   7.492   7.921
  733    H    SER  95           H        SER  95  -3.670   3.702   9.220
  734    HA   SER  95           HA       SER  95  -6.129   2.490   8.188
  735    HB2  SER  95           2HB      SER  95  -3.423   1.948   6.915
  736    HB3  SER  95           3HB      SER  95  -4.918   1.054   6.596
  737    HG   SER  95           HG       SER  95  -4.036   3.055   5.330
  738    H    ASN  96           H        ASN  96  -6.130   2.099  10.532
  739    HA   ASN  96           HA       ASN  96  -4.158   0.574  11.909
  740    HB2  ASN  96           2HB      ASN  96  -5.944   1.686  13.153
  741    HB3  ASN  96           3HB      ASN  96  -7.175   0.739  12.297
  742   HD21  ASN  96          2HD2      ASN  96  -4.189   0.210  14.290
  743   HD22  ASN  96          1HD2      ASN  96  -4.814  -1.191  15.117
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -3.775  19.691   8.013
    2    H2   MET   1           H2       MET   1  -4.243  21.154   8.589
    3    H3   MET   1           H3       MET   1  -5.253  19.868   8.686
    4    HA   MET   1           HA       MET   1  -5.969  21.317   6.939
    5    HB2  MET   1           2HB      MET   1  -3.718  22.270   6.461
    6    HB3  MET   1           3HB      MET   1  -3.232  20.747   5.707
    7    HG2  MET   1           2HG      MET   1  -5.019  21.036   4.004
    8    HG3  MET   1           3HG      MET   1  -5.513  22.545   4.785
    9    HE1  MET   1           3HE      MET   1  -5.371  23.791   2.434
   10    HE2  MET   1           1HE      MET   1  -3.947  23.722   1.376
   11    HE3  MET   1           2HE      MET   1  -4.894  22.249   1.681
   12    H    GLY   2           H        GLY   2  -7.454  20.176   5.744
   13    HA2  GLY   2           2HA      GLY   2  -6.965  18.170   3.914
   14    HA3  GLY   2           3HA      GLY   2  -7.214  17.305   5.445
   15    H    HIS   3           H        HIS   3  -9.126  18.789   6.692
   16    HA   HIS   3           HA       HIS   3 -11.426  17.642   5.685
   17    HB2  HIS   3           2HB      HIS   3 -11.246  19.996   7.604
   18    HB3  HIS   3           3HB      HIS   3 -12.602  18.881   7.450
   19    HD1  HIS   3           1HD      HIS   3  -9.801  19.360   9.689
   20    HD2  HIS   3           2HD      HIS   3 -11.634  16.077   7.787
   21    HE1  HIS   3           1HE      HIS   3  -9.119  17.297  11.010
   22    H    HIS   4           H        HIS   4 -10.098  20.528   4.406
   23    HA   HIS   4           HA       HIS   4 -12.489  21.917   3.662
   24    HB2  HIS   4           2HB      HIS   4  -9.810  21.838   2.221
   25    HB3  HIS   4           3HB      HIS   4 -11.051  23.078   2.075
   26    HD1  HIS   4           1HD      HIS   4  -7.873  23.218   3.323
   27    HD2  HIS   4           2HD      HIS   4 -11.625  23.697   5.171
   28    HE1  HIS   4           1HE      HIS   4  -7.464  24.590   5.430
   29    H    HIS   5           H        HIS   5 -10.948  19.000   2.391
   30    HA   HIS   5           HA       HIS   5 -12.065  19.127  -0.264
   31    HB2  HIS   5           2HB      HIS   5 -11.047  16.779   1.390
   32    HB3  HIS   5           3HB      HIS   5 -11.478  16.694  -0.315
   33    HD1  HIS   5           1HD      HIS   5  -8.710  17.996   1.948
   34    HD2  HIS   5           2HD      HIS   5  -9.817  17.885  -2.111
   35    HE1  HIS   5           1HE      HIS   5  -6.634  18.687   0.616
   36    H    HIS   6           H        HIS   6 -13.663  17.567  -1.104
   37    HA   HIS   6           HA       HIS   6 -15.636  16.424   0.713
   38    HB2  HIS   6           2HB      HIS   6 -16.357  18.829   0.312
   39    HB3  HIS   6           3HB      HIS   6 -16.423  18.478  -1.412
   40    HD1  HIS   6           1HD      HIS   6 -18.494  16.812  -2.189
   41    HD2  HIS   6           2HD      HIS   6 -18.345  17.971   1.864
   42    HE1  HIS   6           1HE      HIS   6 -20.777  16.268  -1.201
   43    H    HIS   7           H        HIS   7 -17.063  14.957  -0.588
   44    HA   HIS   7           HA       HIS   7 -15.710  13.520  -2.666
   45    HB2  HIS   7           2HB      HIS   7 -17.396  12.490  -1.199
   46    HB3  HIS   7           3HB      HIS   7 -18.638  13.584  -1.815
   47    HD1  HIS   7           1HD      HIS   7 -16.320  10.788  -3.267
   48    HD2  HIS   7           2HD      HIS   7 -20.018  12.721  -3.847
   49    HE1  HIS   7           1HE      HIS   7 -17.454   9.598  -5.209
   50    H    HIS   8           H        HIS   8 -16.138  13.475  -4.914
   51    HA   HIS   8           HA       HIS   8 -18.055  15.230  -6.162
   52    HB2  HIS   8           2HB      HIS   8 -16.401  16.397  -7.585
   53    HB3  HIS   8           3HB      HIS   8 -16.230  16.844  -5.897
   54    HD1  HIS   8           1HD      HIS   8 -14.381  14.765  -8.593
   55    HD2  HIS   8           2HD      HIS   8 -13.893  16.360  -4.722
   56    HE1  HIS   8           1HE      HIS   8 -11.925  14.452  -7.989
   57    H    LEU   9           H        LEU   9 -18.030  14.767  -8.564
   58    HA   LEU   9           HA       LEU   9 -17.666  11.981  -9.193
   59    HB2  LEU   9           2HB      LEU   9 -19.321  13.414 -10.342
   60    HB3  LEU   9           3HB      LEU   9 -18.023  14.444 -10.957
   61    HG   LEU   9           HG       LEU   9 -17.144  12.550 -12.308
   62   HD11  LEU   9          1HD1      LEU   9 -19.595  11.041 -11.282
   63   HD12  LEU   9          2HD1      LEU   9 -18.548  10.517 -12.619
   64   HD13  LEU   9          3HD1      LEU   9 -17.897  10.609 -10.985
   65   HD21  LEU   9          3HD2      LEU   9 -18.759  14.138 -13.274
   66   HD22  LEU   9          1HD2      LEU   9 -18.959  12.520 -13.961
   67   HD23  LEU   9          2HD2      LEU   9 -20.107  13.113 -12.738
   68    H    ASP  10           H        ASP  10 -15.858  10.959 -10.100
   69    HA   ASP  10           HA       ASP  10 -13.537  12.533 -11.024
   70    HB2  ASP  10           2HB      ASP  10 -13.498  11.998  -8.508
   71    HB3  ASP  10           3HB      ASP  10 -13.430  10.303  -8.962
   72    H    SER  11           H        SER  11 -12.133  11.125 -12.335
   73    HA   SER  11           HA       SER  11 -13.613   9.464 -14.121
   74    HB2  SER  11           2HB      SER  11 -10.594   9.708 -13.801
   75    HB3  SER  11           3HB      SER  11 -11.482   9.209 -15.253
   76    HG   SER  11           HG       SER  11 -10.833  11.409 -15.338
   77    H    TYR  12           H        TYR  12 -11.658   8.772 -11.271
   78    HA   TYR  12           HA       TYR  12 -12.704   6.114 -11.061
   79    HB2  TYR  12           2HB      TYR  12 -10.568   4.918 -10.947
   80    HB3  TYR  12           3HB      TYR  12 -10.831   5.563 -12.544
   81    HD1  TYR  12           1HD      TYR  12  -8.784   5.837  -9.464
   82    HD2  TYR  12           2HD      TYR  12  -9.366   7.282 -13.490
   83    HE1  TYR  12           1HE      TYR  12  -6.551   6.883  -9.408
   84    HE2  TYR  12           2HE      TYR  12  -7.118   8.317 -13.448
   85    HH   TYR  12           HH       TYR  12  -5.170   8.648 -12.219
   86    H    ALA  13           H        ALA  13 -11.516   5.141  -8.941
   87    HA   ALA  13           HA       ALA  13 -10.731   7.278  -7.073
   88    HB1  ALA  13           3HB      ALA  13 -12.210   6.311  -5.319
   89    HB2  ALA  13           1HB      ALA  13 -13.150   6.957  -6.678
   90    HB3  ALA  13           2HB      ALA  13 -12.905   5.202  -6.516
   91    HA   PRO  14           HA       PRO  14  -7.641   4.214  -6.363
   92    HB2  PRO  14           2HB      PRO  14  -6.728   4.813  -3.833
   93    HB3  PRO  14           3HB      PRO  14  -6.445   5.865  -5.253
   94    HG2  PRO  14           2HG      PRO  14  -8.628   6.117  -3.161
   95    HG3  PRO  14           3HG      PRO  14  -7.528   7.396  -3.771
   96    HD2  PRO  14           2HD      PRO  14 -10.038   7.100  -4.752
   97    HD3  PRO  14           3HD      PRO  14  -8.677   7.534  -5.831
   98    H    ARG  15           H        ARG  15  -7.043   2.344  -5.004
   99    HA   ARG  15           HA       ARG  15  -9.373   0.867  -4.095
  100    HB2  ARG  15           2HB      ARG  15  -6.511  -0.028  -3.697
  101    HB3  ARG  15           3HB      ARG  15  -7.942  -1.014  -3.940
  102    HG2  ARG  15           2HG      ARG  15  -6.423   0.614  -6.004
  103    HG3  ARG  15           3HG      ARG  15  -6.447  -1.123  -5.829
  104    HD2  ARG  15           2HD      ARG  15  -8.808  -1.190  -6.533
  105    HD3  ARG  15           3HD      ARG  15  -8.845   0.586  -6.598
  106    HE   ARG  15           HE       ARG  15  -6.754  -0.738  -8.192
  107   HH11  ARG  15          1HH1      ARG  15  -9.973   0.779  -8.310
  108   HH12  ARG  15          2HH1      ARG  15  -9.900   1.075 -10.006
  109   HH21  ARG  15          1HH2      ARG  15  -6.593  -0.240 -10.337
  110   HH22  ARG  15          2HH2      ARG  15  -7.896   0.460 -11.219
  111    H    ALA  16           H        ALA  16  -8.486   3.320  -2.452
  112    HA   ALA  16           HA       ALA  16  -7.123   2.449  -0.110
  113    HB1  ALA  16           3HB      ALA  16  -7.292   4.832  -0.769
  114    HB2  ALA  16           1HB      ALA  16  -9.049   4.791  -0.496
  115    HB3  ALA  16           2HB      ALA  16  -7.932   4.578   0.867
  116    H    GLU  17           H        GLU  17  -7.838   1.348   1.612
  117    HA   GLU  17           HA       GLU  17  -9.014  -0.008   2.835
  118    HB2  GLU  17           2HB      GLU  17 -10.977   0.858   4.048
  119    HB3  GLU  17           3HB      GLU  17  -9.551   1.878   4.098
  120    HG2  GLU  17           2HG      GLU  17 -10.495   3.438   2.500
  121    HG3  GLU  17           3HG      GLU  17 -11.928   2.411   2.278
  122    H    ALA  18           H        ALA  18  -9.149  -0.532   0.140
  123    HA   ALA  18           HA       ALA  18 -11.486  -2.297   0.045
  124    HB1  ALA  18           3HB      ALA  18 -12.178  -0.250  -1.213
  125    HB2  ALA  18           1HB      ALA  18 -10.733  -0.408  -2.237
  126    HB3  ALA  18           2HB      ALA  18 -11.996  -1.653  -2.277
  127    H    GLU  19           H        GLU  19 -11.069  -3.708  -2.117
  128    HA   GLU  19           HA       GLU  19  -8.241  -4.334  -2.459
  129    HB2  GLU  19           2HB      GLU  19  -8.507  -6.636  -1.574
  130    HB3  GLU  19           3HB      GLU  19  -8.759  -5.406  -0.344
  131    HG2  GLU  19           2HG      GLU  19 -11.284  -5.701  -0.728
  132    HG3  GLU  19           3HG      GLU  19 -10.864  -7.118  -1.695
  133    H    LYS  20           H        LYS  20  -7.879  -5.995  -4.085
  134    HA   LYS  20           HA       LYS  20 -10.079  -7.007  -5.666
  135    HB2  LYS  20           2HB      LYS  20  -9.773  -4.537  -6.382
  136    HB3  LYS  20           3HB      LYS  20  -8.214  -5.018  -7.047
  137    HG2  LYS  20           2HG      LYS  20  -9.311  -6.556  -8.608
  138    HG3  LYS  20           3HG      LYS  20 -10.878  -6.287  -7.842
  139    HD2  LYS  20           2HD      LYS  20  -9.246  -4.140  -9.271
  140    HD3  LYS  20           3HD      LYS  20 -10.525  -5.107 -10.020
  141    HE2  LYS  20           2HE      LYS  20 -12.133  -4.258  -8.277
  142    HE3  LYS  20           3HE      LYS  20 -10.866  -3.180  -7.679
  143    HZ1  LYS  20           3HZ      LYS  20 -12.022  -3.130 -10.409
  144    HZ2  LYS  20           1HZ      LYS  20 -12.324  -2.050  -9.232
  145    HZ3  LYS  20           2HZ      LYS  20 -10.832  -2.138  -9.890
  146    H    THR  21           H        THR  21  -9.111  -8.283  -7.590
  147    HA   THR  21           HA       THR  21  -6.696  -9.708  -6.863
  148    HB   THR  21           HB       THR  21  -7.288 -10.707  -9.232
  149    HG1  THR  21           1HG      THR  21  -9.397 -10.401  -9.829
  150   HG21  THR  21          3HG2      THR  21  -8.949 -12.212  -8.171
  151   HG22  THR  21          1HG2      THR  21  -7.566 -11.912  -7.108
  152   HG23  THR  21          2HG2      THR  21  -9.106 -11.081  -6.805
  153    H    PHE  22           H        PHE  22  -4.743  -9.649  -8.053
  154    HA   PHE  22           HA       PHE  22  -4.381  -7.639 -10.176
  155    HB2  PHE  22           2HB      PHE  22  -2.768  -7.693  -7.587
  156    HB3  PHE  22           3HB      PHE  22  -2.308  -6.804  -9.028
  157    HD1  PHE  22           2HD      PHE  22  -3.681  -4.872  -9.842
  158    HD2  PHE  22           1HD      PHE  22  -4.507  -6.838  -6.099
  159    HE1  PHE  22           2HE      PHE  22  -5.101  -2.961  -9.153
  160    HE2  PHE  22           1HE      PHE  22  -5.915  -4.922  -5.401
  161    HZ   PHE  22           HZ       PHE  22  -6.241  -2.999  -6.941
  162    H    SER  23           H        SER  23  -2.227  -7.915 -11.192
  163    HA   SER  23           HA       SER  23  -0.680 -10.302 -10.828
  164    HB2  SER  23           2HB      SER  23  -1.117 -11.070 -13.219
  165    HB3  SER  23           3HB      SER  23  -2.392 -11.415 -12.044
  166    HG   SER  23           HG       SER  23  -3.234 -10.577 -13.995
  167    H    TYR  24           H        TYR  24   0.968 -10.258 -12.922
  168    HA   TYR  24           HA       TYR  24   1.683  -7.424 -13.407
  169    HB2  TYR  24           2HB      TYR  24   3.488  -9.584 -12.286
  170    HB3  TYR  24           3HB      TYR  24   4.002  -7.956 -12.694
  171    HD1  TYR  24           2HD      TYR  24   2.716  -5.989 -11.475
  172    HD2  TYR  24           1HD      TYR  24   2.806 -10.077 -10.097
  173    HE1  TYR  24           2HE      TYR  24   1.973  -5.237  -9.242
  174    HE2  TYR  24           1HE      TYR  24   2.007  -9.341  -7.858
  175    HH   TYR  24           HH       TYR  24   1.355  -5.882  -7.107
  176    HA   PRO  25           HA       PRO  25   3.836  -6.551 -14.410
  177    HB2  PRO  25           2HB      PRO  25   4.207  -5.324 -16.818
  178    HB3  PRO  25           3HB      PRO  25   5.359  -6.515 -16.143
  179    HG2  PRO  25           2HG      PRO  25   3.159  -6.998 -18.175
  180    HG3  PRO  25           3HG      PRO  25   4.874  -7.517 -18.254
  181    HD2  PRO  25           2HD      PRO  25   2.890  -9.184 -17.392
  182    HD3  PRO  25           3HD      PRO  25   4.523  -9.229 -16.667
  183    H    LEU  26           H        LEU  26   2.899  -4.369 -14.464
  184    HA   LEU  26           HA       LEU  26   0.274  -3.952 -15.635
  185    HB2  LEU  26           2HB      LEU  26  -0.135  -5.455 -13.657
  186    HB3  LEU  26           3HB      LEU  26   0.643  -4.268 -12.615
  187    HG   LEU  26           HG       LEU  26  -1.189  -2.663 -13.087
  188   HD11  LEU  26          1HD1      LEU  26  -1.865  -3.345 -15.364
  189   HD12  LEU  26          2HD1      LEU  26  -2.393  -4.922 -14.745
  190   HD13  LEU  26          3HD1      LEU  26  -3.238  -3.437 -14.263
  191   HD21  LEU  26          3HD2      LEU  26  -2.207  -5.395 -12.235
  192   HD22  LEU  26          1HD2      LEU  26  -1.344  -4.248 -11.192
  193   HD23  LEU  26          2HD2      LEU  26  -2.933  -3.817 -11.851
  194    H    ASP  27           H        ASP  27  -0.441  -1.711 -15.176
  195    HA   ASP  27           HA       ASP  27   1.618   0.249 -15.072
  196    HB2  ASP  27           2HB      ASP  27  -0.535   0.623 -16.156
  197    HB3  ASP  27           3HB      ASP  27  -1.384   0.435 -14.625
  198    H    LEU  28           H        LEU  28  -0.331  -1.241 -12.527
  199    HA   LEU  28           HA       LEU  28   0.367   0.598 -10.418
  200    HB2  LEU  28           2HB      LEU  28  -1.585  -1.117 -10.570
  201    HB3  LEU  28           3HB      LEU  28  -0.404  -2.308 -10.030
  202    HG   LEU  28           HG       LEU  28  -1.231   0.242  -8.570
  203   HD11  LEU  28          1HD1      LEU  28  -2.982  -1.494  -8.656
  204   HD12  LEU  28          2HD1      LEU  28  -1.853  -2.685  -7.975
  205   HD13  LEU  28          3HD1      LEU  28  -2.374  -1.284  -7.013
  206   HD21  LEU  28          3HD2      LEU  28   0.992  -0.179  -7.806
  207   HD22  LEU  28          1HD2      LEU  28  -0.079  -0.809  -6.573
  208   HD23  LEU  28          2HD2      LEU  28   0.707  -1.939  -7.698
  209    H    LEU  29           H        LEU  29   2.348   0.751  -9.489
  210    HA   LEU  29           HA       LEU  29   4.223  -1.555  -9.425
  211    HB2  LEU  29           2HB      LEU  29   4.863   1.306 -10.274
  212    HB3  LEU  29           3HB      LEU  29   6.079   0.098  -9.887
  213    HG   LEU  29           HG       LEU  29   4.081  -0.152 -12.182
  214   HD11  LEU  29          1HD1      LEU  29   5.675   1.689 -12.539
  215   HD12  LEU  29          2HD1      LEU  29   7.036   0.594 -12.210
  216   HD13  LEU  29          3HD1      LEU  29   6.002   0.341 -13.636
  217   HD21  LEU  29          3HD2      LEU  29   6.530  -1.831 -11.460
  218   HD22  LEU  29          1HD2      LEU  29   4.833  -2.364 -11.411
  219   HD23  LEU  29          2HD2      LEU  29   5.581  -1.975 -12.957
  220    H    LEU  30           H        LEU  30   5.809  -1.294  -7.667
  221    HA   LEU  30           HA       LEU  30   4.753   0.364  -5.427
  222    HB2  LEU  30           2HB      LEU  30   5.584  -2.562  -5.431
  223    HB3  LEU  30           3HB      LEU  30   5.170  -1.633  -4.002
  224    HG   LEU  30           HG       LEU  30   3.246  -2.283  -6.274
  225   HD11  LEU  30          1HD1      LEU  30   3.474  -3.436  -3.466
  226   HD12  LEU  30          2HD1      LEU  30   2.221  -3.827  -4.666
  227   HD13  LEU  30          3HD1      LEU  30   3.910  -4.251  -4.983
  228   HD21  LEU  30          3HD2      LEU  30   2.554  -0.222  -5.238
  229   HD22  LEU  30          1HD2      LEU  30   1.499  -1.504  -4.650
  230   HD23  LEU  30          2HD2      LEU  30   2.796  -0.877  -3.603
  231    H    LYS  31           H        LYS  31   6.260   0.821  -3.722
  232    HA   LYS  31           HA       LYS  31   9.058  -0.027  -4.030
  233    HB2  LYS  31           2HB      LYS  31   9.947   2.269  -3.839
  234    HB3  LYS  31           3HB      LYS  31   9.069   1.991  -5.325
  235    HG2  LYS  31           2HG      LYS  31   8.363   4.082  -4.811
  236    HG3  LYS  31           3HG      LYS  31   7.041   3.150  -4.122
  237    HD2  LYS  31           2HD      LYS  31   7.992   3.436  -1.864
  238    HD3  LYS  31           3HD      LYS  31   9.387   4.288  -2.528
  239    HE2  LYS  31           2HE      LYS  31   6.488   5.198  -2.866
  240    HE3  LYS  31           3HE      LYS  31   7.516   5.723  -1.534
  241    HZ1  LYS  31           3HZ      LYS  31   9.032   6.711  -3.150
  242    HZ2  LYS  31           1HZ      LYS  31   8.088   6.242  -4.399
  243    HZ3  LYS  31           2HZ      LYS  31   7.539   7.333  -3.322
  244    H    LEU  32           H        LEU  32  10.284   0.263  -2.048
  245    HA   LEU  32           HA       LEU  32   8.667   0.210   0.414
  246    HB2  LEU  32           2HB      LEU  32  10.465  -1.377   0.276
  247    HB3  LEU  32           3HB      LEU  32  11.615  -0.146  -0.243
  248    HG   LEU  32           HG       LEU  32  11.638   0.872   1.974
  249   HD11  LEU  32          1HD1      LEU  32   9.456   0.552   2.892
  250   HD12  LEU  32          2HD1      LEU  32   9.532  -1.204   2.691
  251   HD13  LEU  32          3HD1      LEU  32  10.544  -0.373   3.903
  252   HD21  LEU  32          3HD2      LEU  32  12.035  -2.150   1.984
  253   HD22  LEU  32          1HD2      LEU  32  13.218  -0.916   1.529
  254   HD23  LEU  32          2HD2      LEU  32  12.676  -1.041   3.210
  255    H    HIS  33           H        HIS  33   8.348   2.009   1.650
  256    HA   HIS  33           HA       HIS  33  10.386   4.081   1.845
  257    HB2  HIS  33           2HB      HIS  33   9.093   4.969  -0.033
  258    HB3  HIS  33           3HB      HIS  33   7.574   4.690   0.826
  259    HD1  HIS  33           1HD      HIS  33  10.673   7.022   0.986
  260    HD2  HIS  33           2HD      HIS  33   6.756   6.594   2.481
  261    HE1  HIS  33           1HE      HIS  33  10.122   9.196   2.187
  262    H    ASP  34           H        ASP  34  10.346   4.876   3.926
  263    HA   ASP  34           HA       ASP  34   9.927   4.901   6.139
  264    HB2  ASP  34           2HB      ASP  34   8.553   6.710   5.217
  265    HB3  ASP  34           3HB      ASP  34   7.162   5.626   5.135
  266    H    GLU  35           H        GLU  35  10.016   2.325   5.384
  267    HA   GLU  35           HA       GLU  35   9.561   0.208   5.940
  268    HB2  GLU  35           2HB      GLU  35   8.418   1.415   8.486
  269    HB3  GLU  35           3HB      GLU  35   8.892  -0.269   8.250
  270    HG2  GLU  35           2HG      GLU  35  11.226   0.454   7.773
  271    HG3  GLU  35           3HG      GLU  35  10.769   2.125   8.107
  272    H    ARG  36           H        ARG  36   7.457   1.673   4.402
  273    HA   ARG  36           HA       ARG  36   5.379  -0.432   4.620
  274    HB2  ARG  36           2HB      ARG  36   5.117   2.586   4.542
  275    HB3  ARG  36           3HB      ARG  36   3.995   1.680   3.549
  276    HG2  ARG  36           2HG      ARG  36   4.329   1.103   6.513
  277    HG3  ARG  36           3HG      ARG  36   3.171   2.274   5.855
  278    HD2  ARG  36           2HD      ARG  36   2.192   0.483   4.411
  279    HD3  ARG  36           3HD      ARG  36   3.293  -0.680   5.143
  280    HE   ARG  36           HE       ARG  36   1.277   0.900   6.696
  281   HH11  ARG  36          1HH1      ARG  36   2.691  -2.275   5.886
  282   HH12  ARG  36          2HH1      ARG  36   1.582  -3.169   6.877
  283   HH21  ARG  36          1HH2      ARG  36  -0.083  -0.273   8.100
  284   HH22  ARG  36          2HH2      ARG  36   0.030  -1.990   8.223
  285    H    VAL  37           H        VAL  37   4.213  -0.578   2.414
  286    HA   VAL  37           HA       VAL  37   6.186  -0.104   0.227
  287    HB   VAL  37           HB       VAL  37   4.213  -2.394   0.569
  288   HG11  VAL  37          1HG1      VAL  37   6.103  -1.707  -1.727
  289   HG12  VAL  37          2HG1      VAL  37   5.212  -3.236  -1.559
  290   HG13  VAL  37          3HG1      VAL  37   4.323  -1.728  -1.785
  291   HG21  VAL  37          3HG2      VAL  37   6.316  -3.759   0.528
  292   HG22  VAL  37          1HG2      VAL  37   7.270  -2.265   0.529
  293   HG23  VAL  37          2HG2      VAL  37   6.242  -2.674   1.919
  294    H    LEU  38           H        LEU  38   5.559   1.427  -1.075
  295    HA   LEU  38           HA       LEU  38   2.755   2.405  -0.920
  296    HB2  LEU  38           2HB      LEU  38   5.435   3.782  -1.069
  297    HB3  LEU  38           3HB      LEU  38   4.050   4.536  -1.847
  298    HG   LEU  38           HG       LEU  38   2.787   4.536   0.269
  299   HD11  LEU  38          1HD1      LEU  38   4.021   4.163   2.413
  300   HD12  LEU  38          2HD1      LEU  38   3.774   2.686   1.479
  301   HD13  LEU  38          3HD1      LEU  38   5.372   3.468   1.489
  302   HD21  LEU  38          3HD2      LEU  38   4.086   6.339   1.336
  303   HD22  LEU  38          1HD2      LEU  38   5.527   5.862   0.409
  304   HD23  LEU  38          2HD2      LEU  38   4.098   6.498  -0.424
  305    H    VAL  39           H        VAL  39   1.810   3.194  -2.783
  306    HA   VAL  39           HA       VAL  39   2.333   1.901  -5.290
  307    HB   VAL  39           HB       VAL  39   0.536   4.229  -4.510
  308   HG11  VAL  39          1HG1      VAL  39  -0.702   3.796  -6.572
  309   HG12  VAL  39          2HG1      VAL  39   0.970   4.163  -6.991
  310   HG13  VAL  39          3HG1      VAL  39   0.409   2.481  -7.008
  311   HG21  VAL  39          3HG2      VAL  39  -0.045   1.255  -4.910
  312   HG22  VAL  39          1HG2      VAL  39  -0.037   2.099  -3.348
  313   HG23  VAL  39          2HG2      VAL  39  -1.247   2.509  -4.560
  314    H    ALA  40           H        ALA  40   4.172   2.301  -6.300
  315    HA   ALA  40           HA       ALA  40   5.526   4.898  -6.314
  316    HB1  ALA  40           3HB      ALA  40   6.063   2.364  -7.950
  317    HB2  ALA  40           1HB      ALA  40   7.165   3.733  -7.713
  318    HB3  ALA  40           2HB      ALA  40   6.756   2.674  -6.351
  319    H    PHE  41           H        PHE  41   3.375   2.974  -8.369
  320    HA   PHE  41           HA       PHE  41   2.714   5.298  -9.959
  321    HB2  PHE  41           2HB      PHE  41   4.791   3.941 -11.024
  322    HB3  PHE  41           3HB      PHE  41   3.500   2.909 -11.609
  323    HD1  PHE  41           1HD      PHE  41   5.071   6.244 -11.750
  324    HD2  PHE  41           2HD      PHE  41   1.851   3.808 -13.272
  325    HE1  PHE  41           1HE      PHE  41   4.691   7.883 -13.577
  326    HE2  PHE  41           2HE      PHE  41   1.456   5.463 -15.074
  327    HZ   PHE  41           HZ       PHE  41   2.874   7.501 -15.236
  328    H    GLY  42           H        GLY  42   0.711   4.872 -11.099
  329    HA2  GLY  42           2HA      GLY  42  -0.660   2.445 -11.348
  330    HA3  GLY  42           3HA      GLY  42  -1.083   3.079  -9.750
  331    H    GLN  43           H        GLN  43  -0.410   5.635 -11.929
  332    HA   GLN  43           HA       GLN  43  -2.942   6.732 -11.572
  333    HB2  GLN  43           2HB      GLN  43  -0.819   7.497 -13.629
  334    HB3  GLN  43           3HB      GLN  43  -2.203   8.472 -13.156
  335    HG2  GLN  43           2HG      GLN  43  -0.666   9.462 -11.836
  336    HG3  GLN  43           3HG      GLN  43  -1.193   8.226 -10.704
  337   HE21  GLN  43          2HE2      GLN  43   1.555   9.651 -12.141
  338   HE22  GLN  43          1HE2      GLN  43   2.684   8.339 -11.881
  339    H    ARG  44           H        ARG  44  -2.089   4.322 -13.934
  340    HA   ARG  44           HA       ARG  44  -4.481   5.067 -15.579
  341    HB2  ARG  44           2HB      ARG  44  -2.218   3.291 -16.508
  342    HB3  ARG  44           3HB      ARG  44  -3.537   3.957 -17.448
  343    HG2  ARG  44           2HG      ARG  44  -1.122   5.426 -16.335
  344    HG3  ARG  44           3HG      ARG  44  -1.520   5.124 -18.018
  345    HD2  ARG  44           2HD      ARG  44  -2.906   7.051 -16.117
  346    HD3  ARG  44           3HD      ARG  44  -1.909   7.445 -17.499
  347    HE   ARG  44           HE       ARG  44  -3.606   6.509 -18.977
  348   HH11  ARG  44          1HH1      ARG  44  -4.758   7.273 -15.662
  349   HH12  ARG  44          2HH1      ARG  44  -6.362   7.620 -16.196
  350   HH21  ARG  44          1HH2      ARG  44  -5.756   6.903 -19.607
  351   HH22  ARG  44          2HH2      ARG  44  -6.950   7.358 -18.456
  352    H    ASP  45           H        ASP  45  -2.872   2.534 -13.659
  353    HA   ASP  45           HA       ASP  45  -4.831   0.485 -14.172
  354    HB2  ASP  45           2HB      ASP  45  -2.806  -0.071 -12.930
  355    HB3  ASP  45           3HB      ASP  45  -3.212   1.090 -11.660
  356    H    GLY  46           H        GLY  46  -4.658   3.147 -11.780
  357    HA2  GLY  46           2HA      GLY  46  -6.812   4.412 -11.614
  358    HA3  GLY  46           3HA      GLY  46  -7.602   2.877 -11.253
  359    H    ILE  47           H        ILE  47  -4.355   3.894  -9.982
  360    HA   ILE  47           HA       ILE  47  -5.584   4.637  -7.439
  361    HB   ILE  47           HB       ILE  47  -5.360   2.321  -7.045
  362   HG12  ILE  47          2HG1      ILE  47  -3.008   3.682  -5.673
  363   HG13  ILE  47          3HG1      ILE  47  -4.692   3.992  -5.272
  364   HG21  ILE  47          1HG2      ILE  47  -3.324   1.004  -7.221
  365   HG22  ILE  47          2HG2      ILE  47  -3.711   1.689  -8.792
  366   HG23  ILE  47          3HG2      ILE  47  -2.416   2.408  -7.809
  367   HD11  ILE  47          3HD1      ILE  47  -3.312   1.289  -4.990
  368   HD12  ILE  47          1HD1      ILE  47  -3.704   2.420  -3.688
  369   HD13  ILE  47          2HD1      ILE  47  -5.006   1.650  -4.589
  370    H    ARG  48           H        ARG  48  -4.700   6.468  -6.829
  371    HA   ARG  48           HA       ARG  48  -2.430   7.500  -8.331
  372    HB2  ARG  48           2HB      ARG  48  -4.247   8.654  -6.173
  373    HB3  ARG  48           3HB      ARG  48  -2.882   9.562  -6.851
  374    HG2  ARG  48           2HG      ARG  48  -3.775   9.539  -9.057
  375    HG3  ARG  48           3HG      ARG  48  -4.902   8.244  -8.684
  376    HD2  ARG  48           2HD      ARG  48  -6.138   9.821  -7.158
  377    HD3  ARG  48           3HD      ARG  48  -5.146  11.136  -7.840
  378    HE   ARG  48           HE       ARG  48  -6.060   9.779 -10.048
  379   HH11  ARG  48          1HH1      ARG  48  -7.793  11.276  -7.312
  380   HH12  ARG  48          2HH1      ARG  48  -9.293  11.416  -8.198
  381   HH21  ARG  48          1HH2      ARG  48  -8.049  10.032 -11.179
  382   HH22  ARG  48          2HH2      ARG  48  -9.414  10.774 -10.397
  383    H    VAL  49           H        VAL  49  -0.482   8.241  -7.445
  384    HA   VAL  49           HA       VAL  49   0.766   6.267  -5.861
  385    HB   VAL  49           HB       VAL  49   2.756   7.761  -6.059
  386   HG11  VAL  49          1HG1      VAL  49   1.159   7.338  -8.639
  387   HG12  VAL  49          2HG1      VAL  49   2.916   7.561  -8.509
  388   HG13  VAL  49          3HG1      VAL  49   2.154   6.132  -7.801
  389   HG21  VAL  49          3HG2      VAL  49   1.612   9.987  -6.004
  390   HG22  VAL  49          1HG2      VAL  49   2.675   9.790  -7.403
  391   HG23  VAL  49          2HG2      VAL  49   0.921   9.659  -7.609
  392    H    GLY  50           H        GLY  50   1.915   6.486  -3.847
  393    HA2  GLY  50           2HA      GLY  50   2.346   7.499  -1.772
  394    HA3  GLY  50           3HA      GLY  50   1.006   8.623  -2.004
  395    H    HIS  51           H        HIS  51  -0.582   5.954  -2.851
  396    HA   HIS  51           HA       HIS  51  -1.647   5.326  -0.188
  397    HB2  HIS  51           2HB      HIS  51  -2.071   4.136  -2.965
  398    HB3  HIS  51           3HB      HIS  51  -2.846   3.508  -1.508
  399    HD1  HIS  51           1HD      HIS  51  -3.103   6.430  -3.930
  400    HD2  HIS  51           2HD      HIS  51  -4.644   5.106  -0.235
  401    HE1  HIS  51           1HE      HIS  51  -5.096   7.939  -3.395
  402    H    ALA  52           H        ALA  52  -1.604   2.932   0.530
  403    HA   ALA  52           HA       ALA  52   0.985   1.642  -0.164
  404    HB1  ALA  52           3HB      ALA  52   1.253   3.010   1.909
  405    HB2  ALA  52           1HB      ALA  52  -0.114   2.109   2.628
  406    HB3  ALA  52           2HB      ALA  52   1.398   1.269   2.224
  407    H    VAL  53           H        VAL  53   1.113  -0.536   0.260
  408    HA   VAL  53           HA       VAL  53  -1.324  -2.107   0.010
  409    HB   VAL  53           HB       VAL  53   1.577  -2.872   0.626
  410   HG11  VAL  53          1HG1      VAL  53   0.129  -4.690   1.349
  411   HG12  VAL  53          2HG1      VAL  53  -0.821  -4.588  -0.143
  412   HG13  VAL  53          3HG1      VAL  53   0.866  -5.143  -0.187
  413   HG21  VAL  53          3HG2      VAL  53   1.364  -1.831  -1.611
  414   HG22  VAL  53          1HG2      VAL  53   1.681  -3.561  -1.747
  415   HG23  VAL  53          2HG2      VAL  53   0.037  -2.947  -2.007
  416    H    LEU  54           H        LEU  54  -2.365  -3.199   1.663
  417    HA   LEU  54           HA       LEU  54  -1.338  -2.921   4.451
  418    HB2  LEU  54           2HB      LEU  54  -4.200  -2.615   3.466
  419    HB3  LEU  54           3HB      LEU  54  -3.748  -2.829   5.155
  420    HG   LEU  54           HG       LEU  54  -2.928  -0.471   3.402
  421   HD11  LEU  54          1HD1      LEU  54  -5.302  -0.476   3.979
  422   HD12  LEU  54          2HD1      LEU  54  -4.920  -0.728   5.696
  423   HD13  LEU  54          3HD1      LEU  54  -4.454   0.786   4.900
  424   HD21  LEU  54          3HD2      LEU  54  -2.406  -1.000   6.365
  425   HD22  LEU  54          1HD2      LEU  54  -1.183  -0.837   5.084
  426   HD23  LEU  54          2HD2      LEU  54  -2.149   0.556   5.543
  427    H    ALA  55           H        ALA  55  -3.024  -4.980   2.006
  428    HA   ALA  55           HA       ALA  55  -1.952  -7.209   3.575
  429    HB1  ALA  55           3HB      ALA  55  -4.905  -7.290   2.830
  430    HB2  ALA  55           1HB      ALA  55  -3.969  -8.513   3.700
  431    HB3  ALA  55           2HB      ALA  55  -4.303  -6.958   4.474
  432    H    ILE  56           H        ILE  56  -1.856  -9.194   2.358
  433    HA   ILE  56           HA       ILE  56  -2.467  -9.049  -0.542
  434    HB   ILE  56           HB       ILE  56   0.196 -10.026   0.565
  435   HG12  ILE  56          2HG1      ILE  56  -0.215  -7.562  -1.183
  436   HG13  ILE  56          3HG1      ILE  56  -0.009  -7.487   0.570
  437   HG21  ILE  56          1HG2      ILE  56   0.792 -10.306  -1.841
  438   HG22  ILE  56          2HG2      ILE  56  -0.627 -11.257  -1.441
  439   HG23  ILE  56          3HG2      ILE  56  -0.826  -9.733  -2.305
  440   HD11  ILE  56          3HD1      ILE  56   2.095  -7.068  -0.376
  441   HD12  ILE  56          1HD1      ILE  56   2.168  -8.678   0.365
  442   HD13  ILE  56          2HD1      ILE  56   2.044  -8.511  -1.399
  443    H    ASN  57           H        ASN  57  -3.323 -11.015  -1.171
  444    HA   ASN  57           HA       ASN  57  -4.359 -13.016  -0.968
  445    HB2  ASN  57           2HB      ASN  57  -1.649 -13.802   0.163
  446    HB3  ASN  57           3HB      ASN  57  -2.866 -14.935  -0.408
  447   HD21  ASN  57          2HD2      ASN  57  -0.162 -14.683  -1.441
  448   HD22  ASN  57          1HD2      ASN  57  -0.344 -14.346  -3.143
  449    H    GLY  58           H        GLY  58  -4.781 -11.210   1.284
  450    HA2  GLY  58           2HA      GLY  58  -6.243 -11.358   3.081
  451    HA3  GLY  58           3HA      GLY  58  -5.980 -13.101   3.180
  452    H    MET  59           H        MET  59  -2.872 -12.062   3.078
  453    HA   MET  59           HA       MET  59  -2.537 -12.093   6.006
  454    HB2  MET  59           2HB      MET  59  -0.533 -11.994   3.697
  455    HB3  MET  59           3HB      MET  59  -0.121 -12.002   5.405
  456    HG2  MET  59           2HG      MET  59  -1.296 -14.204   5.644
  457    HG3  MET  59           3HG      MET  59  -1.550 -14.211   3.892
  458    HE1  MET  59           3HE      MET  59  -0.149 -16.598   5.466
  459    HE2  MET  59           1HE      MET  59  -0.411 -16.573   3.706
  460    HE3  MET  59           2HE      MET  59   1.194 -16.964   4.360
  461    H    ASP  60           H        ASP  60  -2.885 -10.164   6.988
  462    HA   ASP  60           HA       ASP  60  -2.529  -7.536   5.919
  463    HB2  ASP  60           2HB      ASP  60  -3.784  -7.945   7.962
  464    HB3  ASP  60           3HB      ASP  60  -2.376  -8.661   8.743
  465    H    VAL  61           H        VAL  61  -0.622  -6.333   5.610
  466    HA   VAL  61           HA       VAL  61   1.859  -7.883   6.010
  467    HB   VAL  61           HB       VAL  61   2.953  -6.418   4.488
  468   HG11  VAL  61          1HG1      VAL  61   0.279  -7.363   3.361
  469   HG12  VAL  61          2HG1      VAL  61   1.761  -7.053   2.446
  470   HG13  VAL  61          3HG1      VAL  61   1.710  -8.373   3.621
  471   HG21  VAL  61          3HG2      VAL  61   1.900  -4.262   4.803
  472   HG22  VAL  61          1HG2      VAL  61   1.784  -4.743   3.121
  473   HG23  VAL  61          2HG2      VAL  61   0.359  -4.873   4.171
  474    H    ASN  62           H        ASN  62   3.162  -7.553   7.604
  475    HA   ASN  62           HA       ASN  62   2.821  -5.406   9.585
  476    HB2  ASN  62           2HB      ASN  62   3.384  -7.628  10.420
  477    HB3  ASN  62           3HB      ASN  62   4.737  -7.755   9.289
  478   HD21  ASN  62          2HD2      ASN  62   6.380  -7.987  10.883
  479   HD22  ASN  62          1HD2      ASN  62   6.811  -6.697  11.973
  480    H    GLY  63           H        GLY  63   3.399  -3.476   8.594
  481    HA2  GLY  63           2HA      GLY  63   4.716  -1.840   7.683
  482    HA3  GLY  63           3HA      GLY  63   6.127  -2.816   8.103
  483    H    ARG  64           H        ARG  64   6.997  -4.229   6.570
  484    HA   ARG  64           HA       ARG  64   5.966  -4.075   3.781
  485    HB2  ARG  64           2HB      ARG  64   8.182  -3.768   2.930
  486    HB3  ARG  64           3HB      ARG  64   7.914  -2.526   4.157
  487    HG2  ARG  64           2HG      ARG  64   9.242  -3.843   5.787
  488    HG3  ARG  64           3HG      ARG  64   9.451  -5.139   4.591
  489    HD2  ARG  64           2HD      ARG  64  10.468  -3.244   3.100
  490    HD3  ARG  64           3HD      ARG  64  10.664  -2.399   4.643
  491    HE   ARG  64           HE       ARG  64  12.306  -3.889   5.290
  492   HH11  ARG  64          1HH1      ARG  64  10.827  -5.145   2.266
  493   HH12  ARG  64          2HH1      ARG  64  12.196  -6.208   1.975
  494   HH21  ARG  64          2HH2      ARG  64  14.062  -5.332   4.731
  495   HH22  ARG  64          1HH2      ARG  64  13.901  -6.318   3.288
  496    H    TYR  65           H        TYR  65   5.960  -6.200   6.104
  497    HA   TYR  65           HA       TYR  65   7.123  -8.437   4.518
  498    HB2  TYR  65           2HB      TYR  65   6.970  -8.122   7.542
  499    HB3  TYR  65           3HB      TYR  65   7.572  -9.528   6.683
  500    HD1  TYR  65           2HD      TYR  65   8.270  -5.934   7.448
  501    HD2  TYR  65           1HD      TYR  65   9.849  -9.630   5.884
  502    HE1  TYR  65           2HE      TYR  65  10.554  -4.937   7.406
  503    HE2  TYR  65           1HE      TYR  65  12.137  -8.700   5.988
  504    HH   TYR  65           HH       TYR  65  13.459  -6.890   6.612
  505    H    THR  66           H        THR  66   5.733 -10.392   4.517
  506    HA   THR  66           HA       THR  66   2.923  -9.826   4.934
  507    HB   THR  66           HB       THR  66   2.597 -12.212   4.425
  508    HG1  THR  66           1HG      THR  66   4.376 -13.463   3.881
  509   HG21  THR  66          3HG2      THR  66   3.397 -12.174   2.121
  510   HG22  THR  66          1HG2      THR  66   2.821 -10.562   2.583
  511   HG23  THR  66          2HG2      THR  66   4.572 -10.896   2.503
  512    H    ALA  67           H        ALA  67   1.589 -11.412   6.253
  513    HA   ALA  67           HA       ALA  67   2.181 -11.382   9.021
  514    HB1  ALA  67           3HB      ALA  67   0.435 -13.272   7.385
  515    HB2  ALA  67           1HB      ALA  67   0.327 -13.031   9.144
  516    HB3  ALA  67           2HB      ALA  67  -0.084 -11.696   8.041
  517    H    ASP  68           H        ASP  68   2.803 -13.800   6.481
  518    HA   ASP  68           HA       ASP  68   3.912 -15.834   8.199
  519    HB2  ASP  68           2HB      ASP  68   3.030 -16.398   6.010
  520    HB3  ASP  68           3HB      ASP  68   4.184 -15.320   5.217
  521    H    GLY  69           H        GLY  69   5.314 -13.122   6.323
  522    HA2  GLY  69           2HA      GLY  69   7.089 -11.956   7.570
  523    HA3  GLY  69           3HA      GLY  69   7.911 -13.504   7.770
  524    H    LYS  70           H        LYS  70   6.559 -13.420   4.639
  525    HA   LYS  70           HA       LYS  70   9.102 -13.238   3.305
  526    HB2  LYS  70           2HB      LYS  70   6.262 -12.863   2.229
  527    HB3  LYS  70           3HB      LYS  70   7.694 -13.171   1.253
  528    HG2  LYS  70           2HG      LYS  70   6.625 -15.134   3.335
  529    HG3  LYS  70           3HG      LYS  70   6.162 -15.149   1.640
  530    HD2  LYS  70           2HD      LYS  70   8.447 -15.522   0.924
  531    HD3  LYS  70           3HD      LYS  70   9.055 -15.433   2.585
  532    HE2  LYS  70           2HE      LYS  70   6.921 -17.423   1.737
  533    HE3  LYS  70           3HE      LYS  70   8.644 -17.764   1.510
  534    HZ1  LYS  70           3HZ      LYS  70   8.931 -17.489   3.917
  535    HZ2  LYS  70           1HZ      LYS  70   7.310 -17.274   4.118
  536    HZ3  LYS  70           2HZ      LYS  70   7.892 -18.692   3.567
  537    H    GLU  71           H        GLU  71  10.026 -11.432   2.221
  538    HA   GLU  71           HA       GLU  71   9.190  -8.750   2.986
  539    HB2  GLU  71           2HB      GLU  71  11.115  -9.817   0.860
  540    HB3  GLU  71           3HB      GLU  71  10.827  -8.100   1.173
  541    HG2  GLU  71           2HG      GLU  71  11.603  -8.379   3.500
  542    HG3  GLU  71           3HG      GLU  71  11.914 -10.095   3.207
  543    H    VAL  72           H        VAL  72   7.582  -7.602   1.973
  544    HA   VAL  72           HA       VAL  72   5.765  -8.852   0.269
  545    HB   VAL  72           HB       VAL  72   6.306  -5.994   1.074
  546   HG11  VAL  72          1HG1      VAL  72   4.195  -6.857  -0.912
  547   HG12  VAL  72          2HG1      VAL  72   4.057  -5.375   0.074
  548   HG13  VAL  72          3HG1      VAL  72   5.388  -5.568  -1.073
  549   HG21  VAL  72          3HG2      VAL  72   4.234  -6.280   2.328
  550   HG22  VAL  72          1HG2      VAL  72   3.959  -7.869   1.577
  551   HG23  VAL  72          2HG2      VAL  72   5.312  -7.640   2.683
  552    H    LEU  73           H        LEU  73   8.457  -6.651  -0.691
  553    HA   LEU  73           HA       LEU  73   7.601  -6.531  -3.429
  554    HB2  LEU  73           2HB      LEU  73  10.343  -6.068  -2.182
  555    HB3  LEU  73           3HB      LEU  73   9.948  -5.730  -3.864
  556    HG   LEU  73           HG       LEU  73   8.610  -4.393  -1.471
  557   HD11  LEU  73          1HD1      LEU  73  10.977  -3.745  -1.729
  558   HD12  LEU  73          2HD1      LEU  73  10.679  -3.309  -3.426
  559   HD13  LEU  73          3HD1      LEU  73   9.890  -2.404  -2.113
  560   HD21  LEU  73          3HD2      LEU  73   8.346  -3.853  -4.464
  561   HD22  LEU  73          1HD2      LEU  73   7.062  -4.399  -3.359
  562   HD23  LEU  73          2HD2      LEU  73   7.742  -2.782  -3.185
  563    H    GLU  74           H        GLU  74   9.703  -8.822  -1.674
  564    HA   GLU  74           HA       GLU  74  10.572 -10.199  -4.081
  565    HB2  GLU  74           2HB      GLU  74  11.794 -10.165  -1.850
  566    HB3  GLU  74           3HB      GLU  74  10.505 -11.169  -1.188
  567    HG2  GLU  74           2HG      GLU  74  12.310 -12.615  -1.743
  568    HG3  GLU  74           3HG      GLU  74  11.044 -12.923  -2.921
  569    H    TYR  75           H        TYR  75   8.037 -10.654  -1.588
  570    HA   TYR  75           HA       TYR  75   7.006 -13.116  -2.428
  571    HB2  TYR  75           2HB      TYR  75   6.525 -11.905  -0.293
  572    HB3  TYR  75           3HB      TYR  75   5.549 -10.750  -1.174
  573    HD1  TYR  75           2HD      TYR  75   5.837 -14.486  -0.732
  574    HD2  TYR  75           1HD      TYR  75   3.225 -11.069  -1.094
  575    HE1  TYR  75           2HE      TYR  75   3.893 -15.943  -0.300
  576    HE2  TYR  75           1HE      TYR  75   1.265 -12.526  -0.654
  577    HH   TYR  75           HH       TYR  75   1.565 -16.050  -0.056
  578    H    LEU  76           H        LEU  76   6.045  -9.792  -3.427
  579    HA   LEU  76           HA       LEU  76   4.068 -10.748  -5.344
  580    HB2  LEU  76           2HB      LEU  76   5.390  -8.039  -4.876
  581    HB3  LEU  76           3HB      LEU  76   4.117  -8.313  -6.062
  582    HG   LEU  76           HG       LEU  76   3.785  -8.783  -3.063
  583   HD11  LEU  76          1HD1      LEU  76   2.454  -6.708  -3.088
  584   HD12  LEU  76          2HD1      LEU  76   4.129  -6.405  -3.575
  585   HD13  LEU  76          3HD1      LEU  76   2.845  -6.474  -4.804
  586   HD21  LEU  76          3HD2      LEU  76   1.329  -8.771  -3.678
  587   HD22  LEU  76          1HD2      LEU  76   1.813  -8.839  -5.379
  588   HD23  LEU  76          2HD2      LEU  76   2.223 -10.173  -4.278
  589    H    GLY  77           H        GLY  77   7.507  -9.767  -5.478
  590    HA2  GLY  77           2HA      GLY  77   7.725  -9.557  -8.294
  591    HA3  GLY  77           3HA      GLY  77   9.038  -9.858  -7.141
  592    H    ASN  78           H        ASN  78   7.932 -12.379  -6.116
  593    HA   ASN  78           HA       ASN  78   9.010 -14.293  -7.900
  594    HB2  ASN  78           2HB      ASN  78   8.786 -14.668  -5.494
  595    HB3  ASN  78           3HB      ASN  78   7.024 -14.572  -5.607
  596   HD21  ASN  78          2HD2      ASN  78   7.518 -16.770  -4.425
  597   HD22  ASN  78          1HD2      ASN  78   7.603 -18.163  -5.469
  598    HA   PRO  79           HA       PRO  79   5.365 -14.151 -10.531
  599    HB2  PRO  79           2HB      PRO  79   6.134 -15.607 -12.686
  600    HB3  PRO  79           3HB      PRO  79   6.722 -13.952 -12.327
  601    HG2  PRO  79           2HG      PRO  79   8.074 -16.601 -11.659
  602    HG3  PRO  79           3HG      PRO  79   8.805 -15.168 -12.449
  603    HD2  PRO  79           2HD      PRO  79   9.047 -15.650  -9.763
  604    HD3  PRO  79           3HD      PRO  79   8.916 -13.991 -10.416
  605    H    ALA  80           H        ALA  80   6.607 -17.038  -9.025
  606    HA   ALA  80           HA       ALA  80   4.449 -18.804  -9.762
  607    HB1  ALA  80           3HB      ALA  80   5.993 -18.662  -7.136
  608    HB2  ALA  80           1HB      ALA  80   5.089 -20.049  -7.765
  609    HB3  ALA  80           2HB      ALA  80   6.567 -19.517  -8.595
  610    H    ASN  81           H        ASN  81   4.580 -15.892  -7.959
  611    HA   ASN  81           HA       ASN  81   1.857 -16.206  -6.836
  612    HB2  ASN  81           2HB      ASN  81   3.600 -16.565  -5.085
  613    HB3  ASN  81           3HB      ASN  81   4.333 -15.022  -5.521
  614   HD21  ASN  81          2HD2      ASN  81   3.943 -13.614  -3.938
  615   HD22  ASN  81          1HD2      ASN  81   2.474 -13.482  -2.985
  616    H    TYR  82           H        TYR  82   2.804 -15.074  -9.419
  617    HA   TYR  82           HA       TYR  82   2.649 -12.183  -9.198
  618    HB2  TYR  82           2HB      TYR  82   2.590 -14.193 -11.421
  619    HB3  TYR  82           3HB      TYR  82   1.664 -12.740 -11.689
  620    HD1  TYR  82           1HD      TYR  82   4.641 -11.912  -9.728
  621    HD2  TYR  82           2HD      TYR  82   3.166 -12.735 -13.710
  622    HE1  TYR  82           1HE      TYR  82   6.550 -10.716 -10.683
  623    HE2  TYR  82           2HE      TYR  82   5.093 -11.542 -14.671
  624    HH   TYR  82           HH       TYR  82   7.060 -10.356 -14.225
  625    HA   PRO  83           HA       PRO  83  -2.004 -12.667  -9.870
  626    HB2  PRO  83           2HB      PRO  83  -3.289 -15.076  -9.597
  627    HB3  PRO  83           3HB      PRO  83  -2.649 -14.458 -11.150
  628    HG2  PRO  83           2HG      PRO  83  -1.356 -16.434  -9.253
  629    HG3  PRO  83           3HG      PRO  83  -1.502 -16.536 -11.035
  630    HD2  PRO  83           2HD      PRO  83   0.759 -15.672  -9.806
  631    HD3  PRO  83           3HD      PRO  83   0.221 -14.969 -11.359
  632    H    VAL  84           H        VAL  84  -2.818 -11.775  -8.055
  633    HA   VAL  84           HA       VAL  84  -2.823 -13.171  -5.453
  634    HB   VAL  84           HB       VAL  84  -1.739 -11.159  -4.401
  635   HG11  VAL  84          1HG1      VAL  84   0.114 -12.505  -6.358
  636   HG12  VAL  84          2HG1      VAL  84   0.529 -11.789  -4.790
  637   HG13  VAL  84          3HG1      VAL  84  -0.473 -13.250  -4.861
  638   HG21  VAL  84          3HG2      VAL  84  -2.064  -9.514  -6.227
  639   HG22  VAL  84          1HG2      VAL  84  -0.374  -9.635  -5.718
  640   HG23  VAL  84          2HG2      VAL  84  -0.893 -10.386  -7.228
  641    H    SER  85           H        SER  85  -3.824 -11.637  -3.794
  642    HA   SER  85           HA       SER  85  -5.793  -9.736  -4.972
  643    HB2  SER  85           2HB      SER  85  -6.188 -11.537  -2.545
  644    HB3  SER  85           3HB      SER  85  -7.340 -10.338  -3.166
  645    HG   SER  85           HG       SER  85  -7.807 -12.497  -3.847
  646    H    ILE  86           H        ILE  86  -5.719  -7.699  -3.884
  647    HA   ILE  86           HA       ILE  86  -3.801  -7.498  -1.617
  648    HB   ILE  86           HB       ILE  86  -3.722  -5.678  -4.052
  649   HG12  ILE  86          2HG1      ILE  86  -1.833  -7.956  -3.321
  650   HG13  ILE  86          3HG1      ILE  86  -2.880  -7.873  -4.737
  651   HG21  ILE  86          1HG2      ILE  86  -1.810  -5.936  -1.697
  652   HG22  ILE  86          2HG2      ILE  86  -1.677  -4.767  -3.024
  653   HG23  ILE  86          3HG2      ILE  86  -3.000  -4.634  -1.895
  654   HD11  ILE  86          3HD1      ILE  86  -0.407  -6.213  -4.199
  655   HD12  ILE  86          1HD1      ILE  86  -0.700  -7.367  -5.498
  656   HD13  ILE  86          2HD1      ILE  86  -1.583  -5.830  -5.489
  657    H    ARG  87           H        ARG  87  -4.302  -5.920  -0.183
  658    HA   ARG  87           HA       ARG  87  -6.740  -4.262  -0.636
  659    HB2  ARG  87           2HB      ARG  87  -7.027  -6.070   1.127
  660    HB3  ARG  87           3HB      ARG  87  -5.667  -5.358   2.005
  661    HG2  ARG  87           2HG      ARG  87  -6.911  -3.247   2.292
  662    HG3  ARG  87           3HG      ARG  87  -8.264  -3.910   1.360
  663    HD2  ARG  87           2HD      ARG  87  -8.581  -5.678   3.077
  664    HD3  ARG  87           3HD      ARG  87  -7.228  -5.015   3.996
  665    HE   ARG  87           HE       ARG  87  -8.523  -3.286   4.741
  666   HH11  ARG  87          1HH1      ARG  87 -10.424  -5.063   2.277
  667   HH12  ARG  87          2HH1      ARG  87 -11.777  -3.992   2.399
  668   HH21  ARG  87          1HH2      ARG  87 -10.387  -1.976   4.958
  669   HH22  ARG  87          2HH2      ARG  87 -11.746  -2.199   3.922
  670    H    PHE  88           H        PHE  88  -6.447  -2.087  -0.203
  671    HA   PHE  88           HA       PHE  88  -3.686  -1.173   0.498
  672    HB2  PHE  88           2HB      PHE  88  -5.611  -0.253  -1.676
  673    HB3  PHE  88           3HB      PHE  88  -4.266   0.724  -1.156
  674    HD1  PHE  88           2HD      PHE  88  -5.183  -2.384  -2.975
  675    HD2  PHE  88           1HD      PHE  88  -2.041   0.360  -1.874
  676    HE1  PHE  88           2HE      PHE  88  -3.702  -3.370  -4.709
  677    HE2  PHE  88           1HE      PHE  88  -0.543  -0.682  -3.559
  678    HZ   PHE  88           HZ       PHE  88  -1.376  -2.544  -4.985
  679    H    GLY  89           H        GLY  89  -3.672   1.169   1.100
  680    HA2  GLY  89           2HA      GLY  89  -5.999   2.653   1.733
  681    HA3  GLY  89           3HA      GLY  89  -5.437   1.843   3.197
  682    H    ARG  90           H        ARG  90  -4.979   3.981   3.999
  683    HA   ARG  90           HA       ARG  90  -2.812   5.594   2.866
  684    HB2  ARG  90           2HB      ARG  90  -4.040   5.537   5.671
  685    HB3  ARG  90           3HB      ARG  90  -2.828   6.680   5.127
  686    HG2  ARG  90           2HG      ARG  90  -4.945   7.764   5.138
  687    HG3  ARG  90           3HG      ARG  90  -4.411   7.619   3.460
  688    HD2  ARG  90           2HD      ARG  90  -6.025   5.934   2.979
  689    HD3  ARG  90           3HD      ARG  90  -6.283   5.593   4.712
  690    HE   ARG  90           HE       ARG  90  -7.024   8.287   3.872
  691   HH11  ARG  90          1HH2      ARG  90  -8.165   4.941   4.260
  692   HH12  ARG  90          2HH2      ARG  90  -9.840   5.359   4.388
  693   HH21  ARG  90          1HH1      ARG  90  -9.269   8.850   4.031
  694   HH22  ARG  90          2HH1      ARG  90 -10.461   7.619   4.234
  695    HA   PRO  91           HA       PRO  91   0.617   3.122   4.373
  696    HB2  PRO  91           2HB      PRO  91   1.652   5.663   5.628
  697    HB3  PRO  91           3HB      PRO  91   2.533   4.452   4.646
  698    HG2  PRO  91           2HG      PRO  91   1.706   6.789   3.537
  699    HG3  PRO  91           3HG      PRO  91   1.542   5.255   2.630
  700    HD2  PRO  91           2HD      PRO  91  -0.580   6.786   4.132
  701    HD3  PRO  91           3HD      PRO  91  -0.684   5.932   2.562
  702    H    ARG  92           H        ARG  92  -0.665   5.460   6.736
  703    HA   ARG  92           HA       ARG  92  -1.242   3.323   8.623
  704    HB2  ARG  92           2HB      ARG  92   0.465   5.726   9.468
  705    HB3  ARG  92           3HB      ARG  92  -0.254   4.535  10.560
  706    HG2  ARG  92           2HG      ARG  92   1.112   2.741   9.457
  707    HG3  ARG  92           3HG      ARG  92   1.878   3.989   8.461
  708    HD2  ARG  92           2HD      ARG  92   2.656   5.103  10.609
  709    HD3  ARG  92           3HD      ARG  92   2.073   3.675  11.469
  710    HE   ARG  92           HE       ARG  92   3.825   2.419  10.644
  711   HH11  ARG  92          1HH1      ARG  92   3.809   5.555   8.992
  712   HH12  ARG  92          2HH1      ARG  92   5.327   5.321   8.192
  713   HH21  ARG  92          1HH2      ARG  92   5.776   2.028   9.448
  714   HH22  ARG  92          2HH2      ARG  92   6.349   3.196   8.301
  715    H    LEU  93           H        LEU  93  -2.773   4.266  10.319
  716    HA   LEU  93           HA       LEU  93  -3.984   6.844   9.675
  717    HB2  LEU  93           2HB      LEU  93  -5.058   5.167   8.111
  718    HB3  LEU  93           3HB      LEU  93  -5.561   4.233   9.519
  719    HG   LEU  93           HG       LEU  93  -7.004   6.118  10.256
  720   HD11  LEU  93          1HD1      LEU  93  -7.455   7.998   8.684
  721   HD12  LEU  93          2HD1      LEU  93  -5.812   8.058   9.313
  722   HD13  LEU  93          3HD1      LEU  93  -6.103   7.459   7.666
  723   HD21  LEU  93          3HD2      LEU  93  -8.691   5.899   8.488
  724   HD22  LEU  93          1HD2      LEU  93  -7.461   5.277   7.365
  725   HD23  LEU  93          2HD2      LEU  93  -7.910   4.346   8.812
  726    H    THR  94           H        THR  94  -5.400   7.532  11.446
  727    HA   THR  94           HA       THR  94  -4.517   6.699  14.032
  728    HB   THR  94           HB       THR  94  -6.488   8.283  14.660
  729    HG1  THR  94           1HG      THR  94  -7.328   9.447  12.956
  730   HG21  THR  94          3HG2      THR  94  -4.121   9.028  14.560
  731   HG22  THR  94          1HG2      THR  94  -4.280   9.331  12.817
  732   HG23  THR  94          2HG2      THR  94  -5.221  10.288  13.983
  733    H    SER  95           H        SER  95  -7.407   6.062  12.090
  734    HA   SER  95           HA       SER  95  -9.222   4.758  12.336
  735    HB2  SER  95           2HB      SER  95  -7.211   2.857  13.586
  736    HB3  SER  95           3HB      SER  95  -8.738   2.420  12.795
  737    HG   SER  95           HG       SER  95  -6.932   2.213  11.398
  738    H    ASN  96           H        ASN  96  -9.064   6.676  14.383
  739    HA   ASN  96           HA       ASN  96  -9.594   5.668  17.008
  740    HB2  ASN  96           2HB      ASN  96  -9.058   8.038  16.654
  741    HB3  ASN  96           3HB      ASN  96 -10.493   8.237  15.632
  742   HD21  ASN  96          2HD2      ASN  96  -9.551   7.185  18.966
  743   HD22  ASN  96          1HD2      ASN  96 -10.993   7.794  19.731
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1 -16.768  13.995   3.460
    2    H2   MET   1           H2       MET   1 -15.190  13.617   3.686
    3    H3   MET   1           H3       MET   1 -16.109  14.061   4.962
    4    HA   MET   1           HA       MET   1 -15.357  15.776   2.702
    5    HB2  MET   1           2HB      MET   1 -17.583  16.366   3.531
    6    HB3  MET   1           3HB      MET   1 -16.990  16.444   5.193
    7    HG2  MET   1           2HG      MET   1 -17.260  18.667   4.190
    8    HG3  MET   1           3HG      MET   1 -15.595  18.365   4.667
    9    HE1  MET   1           3HE      MET   1 -15.172  20.769   1.623
   10    HE2  MET   1           1HE      MET   1 -16.432  20.797   2.875
   11    HE3  MET   1           2HE      MET   1 -14.746  20.443   3.317
   12    H    GLY   2           H        GLY   2 -13.378  16.722   2.882
   13    HA2  GLY   2           2HA      GLY   2 -12.254  18.012   4.938
   14    HA3  GLY   2           3HA      GLY   2 -11.771  16.353   5.319
   15    H    HIS   3           H        HIS   3 -11.387  15.423   2.579
   16    HA   HIS   3           HA       HIS   3  -8.715  16.151   2.282
   17    HB2  HIS   3           2HB      HIS   3  -9.825  14.046   1.500
   18    HB3  HIS   3           3HB      HIS   3 -10.484  14.944   0.130
   19    HD1  HIS   3           1HD      HIS   3  -6.917  15.914   0.925
   20    HD2  HIS   3           2HD      HIS   3  -9.036  13.076  -1.361
   21    HE1  HIS   3           1HE      HIS   3  -5.248  14.933  -0.729
   22    H    HIS   4           H        HIS   4 -11.524  17.823   1.010
   23    HA   HIS   4           HA       HIS   4 -10.260  19.335  -1.048
   24    HB2  HIS   4           2HB      HIS   4 -12.576  20.086   0.784
   25    HB3  HIS   4           3HB      HIS   4 -12.147  20.897  -0.720
   26    HD1  HIS   4           1HD      HIS   4 -14.696  18.619   0.281
   27    HD2  HIS   4           2HD      HIS   4 -11.890  18.739  -2.859
   28    HE1  HIS   4           1HE      HIS   4 -15.604  17.104  -1.547
   29    H    HIS   5           H        HIS   5  -9.687  19.424   2.362
   30    HA   HIS   5           HA       HIS   5  -8.289  22.043   2.100
   31    HB2  HIS   5           2HB      HIS   5 -10.457  22.217   3.318
   32    HB3  HIS   5           3HB      HIS   5  -9.891  21.007   4.471
   33    HD1  HIS   5           1HD      HIS   5  -8.743  22.063   6.586
   34    HD2  HIS   5           2HD      HIS   5  -8.741  24.533   3.173
   35    HE1  HIS   5           1HE      HIS   5  -7.726  24.279   7.309
   36    H    HIS   6           H        HIS   6  -8.180  18.689   3.291
   37    HA   HIS   6           HA       HIS   6  -5.366  19.137   4.123
   38    HB2  HIS   6           2HB      HIS   6  -5.726  17.959   6.217
   39    HB3  HIS   6           3HB      HIS   6  -6.713  19.392   6.117
   40    HD1  HIS   6           1HD      HIS   6  -7.557  15.670   5.093
   41    HD2  HIS   6           2HD      HIS   6  -8.874  18.945   7.402
   42    HE1  HIS   6           1HE      HIS   6  -9.672  14.922   6.260
   43    H    HIS   7           H        HIS   7  -4.838  16.655   5.084
   44    HA   HIS   7           HA       HIS   7  -4.174  15.090   2.843
   45    HB2  HIS   7           2HB      HIS   7  -3.809  13.336   4.789
   46    HB3  HIS   7           3HB      HIS   7  -2.810  14.770   4.653
   47    HD1  HIS   7           1HD      HIS   7  -5.784  13.525   6.864
   48    HD2  HIS   7           2HD      HIS   7  -2.729  16.430   6.653
   49    HE1  HIS   7           1HE      HIS   7  -5.814  14.773   9.072
   50    H    HIS   8           H        HIS   8  -4.748  12.746   2.588
   51    HA   HIS   8           HA       HIS   8  -7.185  12.564   1.443
   52    HB2  HIS   8           2HB      HIS   8  -5.674  10.220   2.639
   53    HB3  HIS   8           3HB      HIS   8  -6.866  10.136   1.344
   54    HD1  HIS   8           1HD      HIS   8  -5.819  12.219  -0.739
   55    HD2  HIS   8           2HD      HIS   8  -3.409   9.629   1.557
   56    HE1  HIS   8           1HE      HIS   8  -3.642  11.939  -2.017
   57    H    LEU   9           H        LEU   9  -6.528  11.529   4.778
   58    HA   LEU   9           HA       LEU   9  -9.418  11.459   5.375
   59    HB2  LEU   9           2HB      LEU   9  -7.389   9.218   5.660
   60    HB3  LEU   9           3HB      LEU   9  -8.769   9.303   6.753
   61    HG   LEU   9           HG       LEU   9  -8.964   9.015   3.725
   62   HD11  LEU   9          1HD1      LEU   9  -9.749   6.727   4.254
   63   HD12  LEU   9          2HD1      LEU   9  -8.099   7.000   4.834
   64   HD13  LEU   9          3HD1      LEU   9  -9.460   7.025   5.978
   65   HD21  LEU   9          3HD2      LEU   9 -11.134   9.004   5.880
   66   HD22  LEU   9          1HD2      LEU   9 -10.957  10.181   4.556
   67   HD23  LEU   9          2HD2      LEU   9 -11.376   8.512   4.190
   68    H    ASP  10           H        ASP  10  -9.842  11.777   7.553
   69    HA   ASP  10           HA       ASP  10  -7.646  12.137   9.504
   70    HB2  ASP  10           2HB      ASP  10  -8.078  14.334   8.477
   71    HB3  ASP  10           3HB      ASP  10  -9.804  14.143   8.784
   72    H    SER  11           H        SER  11 -10.994  11.445   8.684
   73    HA   SER  11           HA       SER  11 -12.233  11.452  11.174
   74    HB2  SER  11           2HB      SER  11 -12.890   9.632   8.830
   75    HB3  SER  11           3HB      SER  11 -14.008  10.368   9.992
   76    HG   SER  11           HG       SER  11 -14.013  11.473   7.993
   77    H    TYR  12           H        TYR  12 -13.166   9.539  12.302
   78    HA   TYR  12           HA       TYR  12 -11.169   7.737  13.200
   79    HB2  TYR  12           2HB      TYR  12 -12.941   6.780  14.561
   80    HB3  TYR  12           3HB      TYR  12 -12.985   8.530  14.613
   81    HD1  TYR  12           2HD      TYR  12 -14.685   5.484  13.294
   82    HD2  TYR  12           1HD      TYR  12 -14.928   9.770  13.792
   83    HE1  TYR  12           2HE      TYR  12 -17.060   5.427  12.605
   84    HE2  TYR  12           1HE      TYR  12 -17.299   9.720  13.101
   85    HH   TYR  12           HH       TYR  12 -19.087   8.393  12.409
   86    H    ALA  13           H        ALA  13 -13.223   7.479  10.417
   87    HA   ALA  13           HA       ALA  13 -13.771   4.738  10.344
   88    HB1  ALA  13           3HB      ALA  13 -14.813   6.379   8.836
   89    HB2  ALA  13           1HB      ALA  13 -13.249   6.647   8.025
   90    HB3  ALA  13           2HB      ALA  13 -14.055   5.071   7.908
   91    HA   PRO  14           HA       PRO  14  -9.843   2.709   9.542
   92    HB2  PRO  14           2HB      PRO  14 -11.418   1.159   7.474
   93    HB3  PRO  14           3HB      PRO  14 -10.268   0.547   8.704
   94    HG2  PRO  14           2HG      PRO  14 -12.939   0.347   9.112
   95    HG3  PRO  14           3HG      PRO  14 -11.862   0.854  10.455
   96    HD2  PRO  14           2HD      PRO  14 -13.597   2.585   8.683
   97    HD3  PRO  14           3HD      PRO  14 -13.329   2.668  10.452
   98    H    ARG  15           H        ARG  15  -8.121   2.943   8.115
   99    HA   ARG  15           HA       ARG  15  -8.546   4.682   5.784
  100    HB2  ARG  15           2HB      ARG  15  -6.020   3.521   7.054
  101    HB3  ARG  15           3HB      ARG  15  -6.047   4.569   5.638
  102    HG2  ARG  15           2HG      ARG  15  -7.291   6.297   7.009
  103    HG3  ARG  15           3HG      ARG  15  -6.974   5.299   8.437
  104    HD2  ARG  15           2HD      ARG  15  -4.563   5.523   8.096
  105    HD3  ARG  15           3HD      ARG  15  -4.831   6.371   6.559
  106    HE   ARG  15           HE       ARG  15  -5.859   7.411   9.164
  107   HH11  ARG  15          1HH1      ARG  15  -3.710   8.090   6.407
  108   HH12  ARG  15          2HH1      ARG  15  -4.067   9.784   6.378
  109   HH21  ARG  15          1HH2      ARG  15  -6.237   9.582   9.205
  110   HH22  ARG  15          2HH2      ARG  15  -5.631  10.668   7.982
  111    H    ALA  16           H        ALA  16  -8.484   1.293   6.233
  112    HA   ALA  16           HA       ALA  16  -7.241   0.486   3.779
  113    HB1  ALA  16           3HB      ALA  16  -7.623  -1.072   5.655
  114    HB2  ALA  16           1HB      ALA  16  -9.385  -0.892   5.454
  115    HB3  ALA  16           2HB      ALA  16  -8.415  -1.644   4.174
  116    H    GLU  17           H        GLU  17  -8.317  -0.379   1.923
  117    HA   GLU  17           HA       GLU  17 -11.029   0.669   1.276
  118    HB2  GLU  17           2HB      GLU  17  -8.513   0.656  -0.457
  119    HB3  GLU  17           3HB      GLU  17 -10.141   1.013  -1.045
  120    HG2  GLU  17           2HG      GLU  17 -10.295   2.961   0.463
  121    HG3  GLU  17           3HG      GLU  17  -8.680   2.633   1.090
  122    H    ALA  18           H        ALA  18 -11.918  -0.636  -0.649
  123    HA   ALA  18           HA       ALA  18 -12.092  -3.332   0.140
  124    HB1  ALA  18           3HB      ALA  18 -12.827  -2.064  -2.535
  125    HB2  ALA  18           1HB      ALA  18 -13.403  -3.629  -1.929
  126    HB3  ALA  18           2HB      ALA  18 -13.868  -2.137  -1.090
  127    H    GLU  19           H        GLU  19 -11.397  -5.279  -0.789
  128    HA   GLU  19           HA       GLU  19  -8.764  -5.395  -1.839
  129    HB2  GLU  19           2HB      GLU  19 -10.995  -7.489  -1.864
  130    HB3  GLU  19           3HB      GLU  19  -9.313  -7.785  -2.268
  131    HG2  GLU  19           2HG      GLU  19  -9.549  -8.560  -0.081
  132    HG3  GLU  19           3HG      GLU  19  -8.637  -7.061   0.021
  133    H    LYS  20           H        LYS  20  -8.025  -6.035  -3.924
  134    HA   LYS  20           HA       LYS  20  -9.942  -6.335  -6.135
  135    HB2  LYS  20           2HB      LYS  20  -9.513  -3.939  -6.181
  136    HB3  LYS  20           3HB      LYS  20  -7.791  -4.183  -5.956
  137    HG2  LYS  20           2HG      LYS  20  -8.215  -3.520  -8.219
  138    HG3  LYS  20           3HG      LYS  20  -7.608  -5.167  -8.213
  139    HD2  LYS  20           2HD      LYS  20  -9.972  -5.997  -8.517
  140    HD3  LYS  20           3HD      LYS  20 -10.519  -4.306  -8.553
  141    HE2  LYS  20           2HE      LYS  20  -9.019  -3.887 -10.500
  142    HE3  LYS  20           3HE      LYS  20  -8.499  -5.576 -10.463
  143    HZ1  LYS  20           3HZ      LYS  20 -10.794  -6.217 -10.960
  144    HZ2  LYS  20           1HZ      LYS  20 -11.269  -4.651 -10.988
  145    HZ3  LYS  20           2HZ      LYS  20 -10.228  -5.211 -12.108
  146    H    THR  21           H        THR  21  -9.086  -7.804  -7.683
  147    HA   THR  21           HA       THR  21  -6.703  -9.276  -6.923
  148    HB   THR  21           HB       THR  21  -8.299  -9.585  -9.480
  149    HG1  THR  21           1HG      THR  21  -9.761 -10.811  -8.369
  150   HG21  THR  21          3HG2      THR  21  -7.730 -11.986  -9.149
  151   HG22  THR  21          1HG2      THR  21  -6.271 -10.991  -9.238
  152   HG23  THR  21          2HG2      THR  21  -6.846 -11.573  -7.661
  153    H    PHE  22           H        PHE  22  -4.718  -9.267  -7.973
  154    HA   PHE  22           HA       PHE  22  -4.326  -7.538 -10.344
  155    HB2  PHE  22           2HB      PHE  22  -2.663  -7.472  -7.789
  156    HB3  PHE  22           3HB      PHE  22  -2.207  -6.708  -9.301
  157    HD1  PHE  22           1HD      PHE  22  -3.434  -4.714 -10.164
  158    HD2  PHE  22           2HD      PHE  22  -4.368  -6.470  -6.344
  159    HE1  PHE  22           1HE      PHE  22  -4.608  -2.631  -9.492
  160    HE2  PHE  22           2HE      PHE  22  -5.517  -4.386  -5.664
  161    HZ   PHE  22           HZ       PHE  22  -5.641  -2.456  -7.236
  162    H    SER  23           H        SER  23  -2.287  -8.035 -11.394
  163    HA   SER  23           HA       SER  23  -0.754 -10.374 -10.793
  164    HB2  SER  23           2HB      SER  23  -1.235 -11.398 -13.074
  165    HB3  SER  23           3HB      SER  23  -2.491 -11.610 -11.849
  166    HG   SER  23           HG       SER  23  -3.365 -10.986 -13.867
  167    H    TYR  24           H        TYR  24   0.835 -10.566 -12.918
  168    HA   TYR  24           HA       TYR  24   1.561  -7.821 -13.731
  169    HB2  TYR  24           2HB      TYR  24   3.377  -9.786 -12.318
  170    HB3  TYR  24           3HB      TYR  24   3.859  -8.203 -12.886
  171    HD1  TYR  24           1HD      TYR  24   2.704  -6.128 -11.833
  172    HD2  TYR  24           2HD      TYR  24   2.488 -10.093 -10.160
  173    HE1  TYR  24           1HE      TYR  24   1.916  -5.171  -9.689
  174    HE2  TYR  24           2HE      TYR  24   1.646  -9.157  -8.013
  175    HH   TYR  24           HH       TYR  24   1.018  -7.198  -6.877
  176    HA   PRO  25           HA       PRO  25   3.952  -7.238 -14.807
  177    HB2  PRO  25           2HB      PRO  25   4.288  -6.317 -17.358
  178    HB3  PRO  25           3HB      PRO  25   5.397  -7.478 -16.569
  179    HG2  PRO  25           2HG      PRO  25   3.119  -8.083 -18.474
  180    HG3  PRO  25           3HG      PRO  25   4.796  -8.714 -18.516
  181    HD2  PRO  25           2HD      PRO  25   2.748 -10.137 -17.417
  182    HD3  PRO  25           3HD      PRO  25   4.387 -10.174 -16.703
  183    H    LEU  26           H        LEU  26   3.085  -5.161 -14.728
  184    HA   LEU  26           HA       LEU  26   0.638  -4.375 -16.042
  185    HB2  LEU  26           2HB      LEU  26  -0.184  -5.943 -14.270
  186    HB3  LEU  26           3HB      LEU  26   0.684  -5.018 -13.048
  187    HG   LEU  26           HG       LEU  26  -0.819  -3.089 -13.440
  188   HD11  LEU  26          1HD1      LEU  26  -2.858  -3.364 -14.830
  189   HD12  LEU  26          2HD1      LEU  26  -1.404  -3.423 -15.827
  190   HD13  LEU  26          3HD1      LEU  26  -2.249  -4.927 -15.413
  191   HD21  LEU  26          3HD2      LEU  26  -1.388  -4.795 -11.754
  192   HD22  LEU  26          1HD2      LEU  26  -2.832  -4.051 -12.468
  193   HD23  LEU  26          2HD2      LEU  26  -2.328  -5.682 -12.970
  194    H    ASP  27           H        ASP  27   0.157  -2.080 -15.340
  195    HA   ASP  27           HA       ASP  27   2.465  -0.470 -15.028
  196    HB2  ASP  27           2HB      ASP  27   0.371   0.297 -16.054
  197    HB3  ASP  27           3HB      ASP  27  -0.464   0.156 -14.505
  198    H    LEU  28           H        LEU  28   0.362  -1.944 -12.600
  199    HA   LEU  28           HA       LEU  28   0.974  -0.354 -10.355
  200    HB2  LEU  28           2HB      LEU  28  -0.824  -1.984 -10.312
  201    HB3  LEU  28           3HB      LEU  28   0.317  -3.308 -10.576
  202    HG   LEU  28           HG       LEU  28   1.348  -2.916  -8.366
  203   HD11  LEU  28          1HD1      LEU  28  -0.753  -0.728  -8.045
  204   HD12  LEU  28          2HD1      LEU  28   0.239  -1.387  -6.728
  205   HD13  LEU  28          3HD1      LEU  28   1.005  -0.503  -8.042
  206   HD21  LEU  28          3HD2      LEU  28  -0.588  -4.454  -8.612
  207   HD22  LEU  28          1HD2      LEU  28  -0.489  -3.729  -7.006
  208   HD23  LEU  28          2HD2      LEU  28  -1.679  -3.121  -8.174
  209    H    LEU  29           H        LEU  29   2.835  -0.045  -9.265
  210    HA   LEU  29           HA       LEU  29   4.726  -2.249  -8.859
  211    HB2  LEU  29           2HB      LEU  29   5.569  -1.052 -10.892
  212    HB3  LEU  29           3HB      LEU  29   5.547   0.464  -9.995
  213    HG   LEU  29           HG       LEU  29   7.312  -0.380  -8.478
  214   HD11  LEU  29          1HD1      LEU  29   7.286  -2.871 -10.250
  215   HD12  LEU  29          2HD1      LEU  29   8.522  -2.485  -9.033
  216   HD13  LEU  29          3HD1      LEU  29   6.870  -2.819  -8.526
  217   HD21  LEU  29          3HD2      LEU  29   9.152  -0.392 -10.107
  218   HD22  LEU  29          1HD2      LEU  29   8.000  -0.688 -11.428
  219   HD23  LEU  29          2HD2      LEU  29   7.949   0.834 -10.515
  220    H    LEU  30           H        LEU  30   6.020  -1.818  -6.904
  221    HA   LEU  30           HA       LEU  30   4.913   0.333  -5.171
  222    HB2  LEU  30           2HB      LEU  30   5.815  -2.425  -4.284
  223    HB3  LEU  30           3HB      LEU  30   5.154  -1.153  -3.268
  224    HG   LEU  30           HG       LEU  30   3.668  -2.833  -5.322
  225   HD11  LEU  30          1HD1      LEU  30   3.395  -2.576  -2.293
  226   HD12  LEU  30          2HD1      LEU  30   2.464  -3.662  -3.348
  227   HD13  LEU  30          3HD1      LEU  30   4.206  -3.904  -3.146
  228   HD21  LEU  30          3HD2      LEU  30   2.601  -0.527  -3.636
  229   HD22  LEU  30          1HD2      LEU  30   2.666  -0.622  -5.416
  230   HD23  LEU  30          2HD2      LEU  30   1.603  -1.702  -4.524
  231    H    LYS  31           H        LYS  31   6.429   1.125  -3.539
  232    HA   LYS  31           HA       LYS  31   9.213   0.182  -3.771
  233    HB2  LYS  31           2HB      LYS  31  10.256   2.193  -4.033
  234    HB3  LYS  31           3HB      LYS  31   8.937   2.339  -5.166
  235    HG2  LYS  31           2HG      LYS  31   9.130   3.638  -2.402
  236    HG3  LYS  31           3HG      LYS  31   9.421   4.414  -3.950
  237    HD2  LYS  31           2HD      LYS  31   7.040   4.098  -4.575
  238    HD3  LYS  31           3HD      LYS  31   6.743   3.300  -3.033
  239    HE2  LYS  31           2HE      LYS  31   5.964   5.577  -2.893
  240    HE3  LYS  31           3HE      LYS  31   7.345   5.372  -1.820
  241    HZ1  LYS  31           3HZ      LYS  31   8.724   6.477  -3.509
  242    HZ2  LYS  31           1HZ      LYS  31   7.438   6.642  -4.507
  243    HZ3  LYS  31           2HZ      LYS  31   7.475   7.433  -3.088
  244    H    LEU  32           H        LEU  32  10.444   0.546  -1.821
  245    HA   LEU  32           HA       LEU  32   8.787   0.514   0.601
  246    HB2  LEU  32           2HB      LEU  32  10.805  -0.995   0.107
  247    HB3  LEU  32           3HB      LEU  32  11.822   0.408   0.416
  248    HG   LEU  32           HG       LEU  32   9.876  -0.881   2.391
  249   HD11  LEU  32          1HD1      LEU  32  11.783  -2.332   1.833
  250   HD12  LEU  32          2HD1      LEU  32  12.916  -1.015   2.205
  251   HD13  LEU  32          3HD1      LEU  32  11.925  -1.734   3.489
  252   HD21  LEU  32          3HD2      LEU  32  10.136   1.387   3.138
  253   HD22  LEU  32          1HD2      LEU  32  11.210   0.412   4.124
  254   HD23  LEU  32          2HD2      LEU  32  11.886   1.376   2.794
  255    H    HIS  33           H        HIS  33   8.386   2.377   1.754
  256    HA   HIS  33           HA       HIS  33  10.280   4.591   1.793
  257    HB2  HIS  33           2HB      HIS  33   8.979   5.077  -0.264
  258    HB3  HIS  33           3HB      HIS  33   7.472   4.925   0.643
  259    HD1  HIS  33           1HD      HIS  33   6.778   7.076   2.127
  260    HD2  HIS  33           2HD      HIS  33  10.525   7.278   0.214
  261    HE1  HIS  33           1HE      HIS  33   7.575   9.479   2.369
  262    H    ASP  34           H        ASP  34  10.001   5.765   3.688
  263    HA   ASP  34           HA       ASP  34   9.571   5.975   5.883
  264    HB2  ASP  34           2HB      ASP  34   7.879   7.410   4.837
  265    HB3  ASP  34           3HB      ASP  34   6.710   6.088   4.885
  266    H    GLU  35           H        GLU  35  10.150   3.425   5.389
  267    HA   GLU  35           HA       GLU  35  10.111   1.313   6.081
  268    HB2  GLU  35           2HB      GLU  35   8.890   2.686   8.496
  269    HB3  GLU  35           3HB      GLU  35   9.104   0.955   8.465
  270    HG2  GLU  35           2HG      GLU  35  11.578   1.531   7.689
  271    HG3  GLU  35           3HG      GLU  35  11.218   3.109   8.390
  272    H    ARG  36           H        ARG  36   7.478   2.456   4.761
  273    HA   ARG  36           HA       ARG  36   5.879  -0.033   5.061
  274    HB2  ARG  36           2HB      ARG  36   4.909   2.361   5.619
  275    HB3  ARG  36           3HB      ARG  36   4.989   2.640   3.888
  276    HG2  ARG  36           2HG      ARG  36   2.746   2.049   4.395
  277    HG3  ARG  36           3HG      ARG  36   3.419   0.638   3.599
  278    HD2  ARG  36           2HD      ARG  36   3.939  -0.183   6.043
  279    HD3  ARG  36           3HD      ARG  36   2.780   1.063   6.528
  280    HE   ARG  36           HE       ARG  36   1.667  -0.562   4.444
  281   HH11  ARG  36          1HH1      ARG  36   2.385  -0.715   7.928
  282   HH12  ARG  36          2HH1      ARG  36   1.381  -2.095   8.189
  283   HH21  ARG  36          1HH2      ARG  36   0.420  -2.384   4.795
  284   HH22  ARG  36          2HH2      ARG  36   0.506  -3.239   6.320
  285    H    VAL  37           H        VAL  37   4.656  -0.266   2.721
  286    HA   VAL  37           HA       VAL  37   6.521   0.404   0.529
  287    HB   VAL  37           HB       VAL  37   5.369  -1.714  -0.575
  288   HG11  VAL  37          1HG1      VAL  37   7.370  -3.067   0.104
  289   HG12  VAL  37          2HG1      VAL  37   7.750  -1.439  -0.469
  290   HG13  VAL  37          3HG1      VAL  37   7.784  -1.784   1.268
  291   HG21  VAL  37          3HG2      VAL  37   4.041  -2.285   1.494
  292   HG22  VAL  37          1HG2      VAL  37   5.085  -3.599   0.916
  293   HG23  VAL  37          2HG2      VAL  37   5.558  -2.620   2.319
  294    H    LEU  38           H        LEU  38   5.578   1.490  -1.066
  295    HA   LEU  38           HA       LEU  38   2.667   2.072  -0.798
  296    HB2  LEU  38           2HB      LEU  38   4.891   4.048  -1.425
  297    HB3  LEU  38           3HB      LEU  38   3.179   4.417  -1.275
  298    HG   LEU  38           HG       LEU  38   5.054   3.591   0.974
  299   HD11  LEU  38          1HD1      LEU  38   4.751   5.886   1.749
  300   HD12  LEU  38          2HD1      LEU  38   5.355   5.901   0.081
  301   HD13  LEU  38          3HD1      LEU  38   3.642   6.232   0.408
  302   HD21  LEU  38          3HD2      LEU  38   2.849   2.744   1.531
  303   HD22  LEU  38          1HD2      LEU  38   3.151   4.192   2.491
  304   HD23  LEU  38          2HD2      LEU  38   2.091   4.283   1.065
  305    H    VAL  39           H        VAL  39   1.678   2.796  -2.742
  306    HA   VAL  39           HA       VAL  39   2.439   1.538  -5.178
  307    HB   VAL  39           HB       VAL  39   0.536   3.851  -4.621
  308   HG11  VAL  39          1HG1      VAL  39   0.622   1.960  -7.018
  309   HG12  VAL  39          2HG1      VAL  39  -0.587   3.228  -6.721
  310   HG13  VAL  39          3HG1      VAL  39   1.086   3.673  -7.058
  311   HG21  VAL  39          3HG2      VAL  39  -0.026   0.865  -4.892
  312   HG22  VAL  39          1HG2      VAL  39  -0.076   1.780  -3.372
  313   HG23  VAL  39          2HG2      VAL  39  -1.235   2.143  -4.647
  314    H    ALA  40           H        ALA  40   4.211   2.004  -6.300
  315    HA   ALA  40           HA       ALA  40   5.441   4.686  -6.312
  316    HB1  ALA  40           3HB      ALA  40   6.214   2.126  -7.815
  317    HB2  ALA  40           1HB      ALA  40   7.209   3.577  -7.603
  318    HB3  ALA  40           2HB      ALA  40   6.824   2.547  -6.209
  319    H    PHE  41           H        PHE  41   3.633   2.459  -8.383
  320    HA   PHE  41           HA       PHE  41   2.825   4.660 -10.151
  321    HB2  PHE  41           2HB      PHE  41   4.099   2.066 -11.134
  322    HB3  PHE  41           3HB      PHE  41   3.154   3.148 -12.142
  323    HD1  PHE  41           1HD      PHE  41   3.999   5.407 -12.765
  324    HD2  PHE  41           2HD      PHE  41   6.407   2.629 -10.510
  325    HE1  PHE  41           1HE      PHE  41   6.031   6.731 -13.293
  326    HE2  PHE  41           2HE      PHE  41   8.437   3.954 -11.042
  327    HZ   PHE  41           HZ       PHE  41   8.252   6.009 -12.434
  328    H    GLY  42           H        GLY  42   0.672   4.392 -10.569
  329    HA2  GLY  42           2HA      GLY  42  -0.988   2.343 -10.984
  330    HA3  GLY  42           3HA      GLY  42  -0.774   2.227  -9.223
  331    H    GLN  43           H        GLN  43  -2.877   3.448 -11.392
  332    HA   GLN  43           HA       GLN  43  -3.967   5.436  -9.636
  333    HB2  GLN  43           2HB      GLN  43  -3.868   7.315 -11.305
  334    HB3  GLN  43           3HB      GLN  43  -2.366   6.918 -10.513
  335    HG2  GLN  43           2HG      GLN  43  -1.797   7.396 -12.729
  336    HG3  GLN  43           3HG      GLN  43  -1.629   5.659 -12.581
  337   HE21  GLN  43          2HE2      GLN  43  -3.903   8.241 -13.702
  338   HE22  GLN  43          1HE2      GLN  43  -4.597   7.296 -14.992
  339    H    ARG  44           H        ARG  44  -5.932   6.433 -10.777
  340    HA   ARG  44           HA       ARG  44  -7.905   6.345 -11.723
  341    HB2  ARG  44           2HB      ARG  44  -6.592   6.455 -13.783
  342    HB3  ARG  44           3HB      ARG  44  -6.559   4.701 -13.885
  343    HG2  ARG  44           2HG      ARG  44  -8.118   5.586 -15.459
  344    HG3  ARG  44           3HG      ARG  44  -9.003   4.651 -14.269
  345    HD2  ARG  44           2HD      ARG  44  -8.741   7.689 -14.125
  346    HD3  ARG  44           3HD      ARG  44 -10.005   6.880 -15.069
  347    HE   ARG  44           HE       ARG  44 -10.121   5.756 -12.515
  348   HH11  ARG  44          1HH2      ARG  44 -10.674   8.957 -13.959
  349   HH12  ARG  44          2HH2      ARG  44 -11.816   9.452 -12.766
  350   HH21  ARG  44          1HH1      ARG  44 -11.622   6.406 -10.935
  351   HH22  ARG  44          2HH1      ARG  44 -12.373   7.955 -11.002
  352    H    ASP  45           H        ASP  45  -6.557   3.058 -11.385
  353    HA   ASP  45           HA       ASP  45  -8.960   1.593 -11.538
  354    HB2  ASP  45           2HB      ASP  45  -6.791   0.514 -11.462
  355    HB3  ASP  45           3HB      ASP  45  -6.459   1.176  -9.859
  356    H    GLY  46           H        GLY  46  -7.593   3.458  -8.851
  357    HA2  GLY  46           2HA      GLY  46  -9.763   4.276  -7.486
  358    HA3  GLY  46           3HA      GLY  46  -9.576   2.613  -6.876
  359    H    ILE  47           H        ILE  47  -6.880   2.233  -6.898
  360    HA   ILE  47           HA       ILE  47  -5.797   3.798  -4.731
  361    HB   ILE  47           HB       ILE  47  -3.720   2.572  -5.195
  362   HG12  ILE  47          2HG1      ILE  47  -5.150   1.354  -7.606
  363   HG13  ILE  47          3HG1      ILE  47  -3.825   2.515  -7.679
  364   HG21  ILE  47          1HG2      ILE  47  -6.123   0.695  -5.299
  365   HG22  ILE  47          2HG2      ILE  47  -4.524   0.380  -4.601
  366   HG23  ILE  47          3HG2      ILE  47  -5.581   1.576  -3.852
  367   HD11  ILE  47          3HD1      ILE  47  -2.341   0.874  -6.522
  368   HD12  ILE  47          1HD1      ILE  47  -3.656  -0.325  -6.603
  369   HD13  ILE  47          2HD1      ILE  47  -2.953   0.320  -8.093
  370    H    ARG  48           H        ARG  48  -3.748   5.050  -4.944
  371    HA   ARG  48           HA       ARG  48  -3.085   6.139  -7.575
  372    HB2  ARG  48           2HB      ARG  48  -3.805   7.925  -5.193
  373    HB3  ARG  48           3HB      ARG  48  -2.958   8.467  -6.642
  374    HG2  ARG  48           2HG      ARG  48  -4.951   7.823  -8.029
  375    HG3  ARG  48           3HG      ARG  48  -5.796   7.356  -6.546
  376    HD2  ARG  48           2HD      ARG  48  -6.535   9.553  -7.149
  377    HD3  ARG  48           3HD      ARG  48  -5.555   9.668  -5.677
  378    HE   ARG  48           HE       ARG  48  -4.029  10.087  -8.122
  379   HH11  ARG  48          1HH1      ARG  48  -6.168  11.731  -5.815
  380   HH12  ARG  48          2HH1      ARG  48  -5.547  13.306  -6.140
  381   HH21  ARG  48          1HH2      ARG  48  -3.186  12.186  -8.548
  382   HH22  ARG  48          2HH2      ARG  48  -3.818  13.565  -7.736
  383    H    VAL  49           H        VAL  49  -0.895   7.180  -7.418
  384    HA   VAL  49           HA       VAL  49   0.944   5.699  -5.954
  385    HB   VAL  49           HB       VAL  49   2.547   7.567  -6.429
  386   HG11  VAL  49          1HG1      VAL  49   0.862   6.579  -8.775
  387   HG12  VAL  49          2HG1      VAL  49   2.537   7.171  -8.843
  388   HG13  VAL  49          3HG1      VAL  49   2.165   5.689  -7.956
  389   HG21  VAL  49          3HG2      VAL  49   0.953   9.492  -6.389
  390   HG22  VAL  49          1HG2      VAL  49   1.888   9.403  -7.888
  391   HG23  VAL  49          2HG2      VAL  49   0.195   8.882  -7.876
  392    H    GLY  50           H        GLY  50   2.119   5.963  -4.080
  393    HA2  GLY  50           2HA      GLY  50   2.632   6.782  -1.983
  394    HA3  GLY  50           3HA      GLY  50   1.478   8.101  -2.190
  395    H    HIS  51           H        HIS  51  -0.467   5.519  -2.931
  396    HA   HIS  51           HA       HIS  51  -1.548   5.260  -0.231
  397    HB2  HIS  51           2HB      HIS  51  -2.197   3.923  -2.879
  398    HB3  HIS  51           3HB      HIS  51  -2.908   3.395  -1.357
  399    HD1  HIS  51           1HD      HIS  51  -2.626   6.783  -3.247
  400    HD2  HIS  51           2HD      HIS  51  -4.981   4.669  -0.482
  401    HE1  HIS  51           1HE      HIS  51  -4.583   8.318  -2.643
  402    H    ALA  52           H        ALA  52  -1.675   3.146   0.898
  403    HA   ALA  52           HA       ALA  52   0.967   1.755   0.706
  404    HB1  ALA  52           3HB      ALA  52   0.583   3.016   2.819
  405    HB2  ALA  52           1HB      ALA  52  -0.945   2.141   3.060
  406    HB3  ALA  52           2HB      ALA  52   0.597   1.265   3.106
  407    H    VAL  53           H        VAL  53   0.989  -0.517   0.823
  408    HA   VAL  53           HA       VAL  53  -1.583  -1.865   0.252
  409    HB   VAL  53           HB       VAL  53   0.159  -2.621  -1.124
  410   HG11  VAL  53          1HG1      VAL  53   1.865  -3.089   1.339
  411   HG12  VAL  53          2HG1      VAL  53   2.244  -3.688  -0.292
  412   HG13  VAL  53          3HG1      VAL  53   2.171  -1.952   0.004
  413   HG21  VAL  53          3HG2      VAL  53   0.173  -4.975  -0.719
  414   HG22  VAL  53          1HG2      VAL  53  -0.117  -4.761   1.019
  415   HG23  VAL  53          2HG2      VAL  53  -1.382  -4.345  -0.154
  416    H    LEU  54           H        LEU  54  -2.603  -3.136   1.745
  417    HA   LEU  54           HA       LEU  54  -1.701  -2.904   4.582
  418    HB2  LEU  54           2HB      LEU  54  -4.347  -2.463   3.225
  419    HB3  LEU  54           3HB      LEU  54  -4.372  -3.258   4.781
  420    HG   LEU  54           HG       LEU  54  -4.757  -0.841   4.920
  421   HD11  LEU  54          1HD1      LEU  54  -3.851  -2.085   6.857
  422   HD12  LEU  54          2HD1      LEU  54  -2.198  -1.672   6.354
  423   HD13  LEU  54          3HD1      LEU  54  -3.328  -0.395   6.834
  424   HD21  LEU  54          3HD2      LEU  54  -3.029   0.813   4.621
  425   HD22  LEU  54          1HD2      LEU  54  -1.828  -0.419   4.208
  426   HD23  LEU  54          2HD2      LEU  54  -3.189  -0.103   3.115
  427    H    ALA  55           H        ALA  55  -3.218  -5.069   2.092
  428    HA   ALA  55           HA       ALA  55  -1.965  -7.272   3.545
  429    HB1  ALA  55           3HB      ALA  55  -4.962  -7.470   2.999
  430    HB2  ALA  55           1HB      ALA  55  -3.922  -8.672   3.779
  431    HB3  ALA  55           2HB      ALA  55  -4.266  -7.145   4.603
  432    H    ILE  56           H        ILE  56  -1.911  -9.257   2.261
  433    HA   ILE  56           HA       ILE  56  -2.689  -8.994  -0.600
  434    HB   ILE  56           HB       ILE  56   0.034  -9.963   0.384
  435   HG12  ILE  56          2HG1      ILE  56  -0.531  -7.579  -1.429
  436   HG13  ILE  56          3HG1      ILE  56  -0.258  -7.421   0.307
  437   HG21  ILE  56          1HG2      ILE  56  -1.221  -9.819  -2.401
  438   HG22  ILE  56          2HG2      ILE  56   0.477 -10.260  -2.090
  439   HG23  ILE  56          3HG2      ILE  56  -0.827 -11.292  -1.518
  440   HD11  ILE  56          3HD1      ILE  56   1.764  -8.495  -1.680
  441   HD12  ILE  56          1HD1      ILE  56   1.775  -6.938  -0.841
  442   HD13  ILE  56          2HD1      ILE  56   1.977  -8.441   0.083
  443    H    ASN  57           H        ASN  57  -3.656 -10.826  -1.236
  444    HA   ASN  57           HA       ASN  57  -5.011 -12.573  -0.899
  445    HB2  ASN  57           2HB      ASN  57  -4.073 -14.509  -1.601
  446    HB3  ASN  57           3HB      ASN  57  -2.962 -13.287  -2.187
  447   HD21  ASN  57          2HD2      ASN  57  -1.384 -12.923   0.277
  448   HD22  ASN  57          1HD2      ASN  57  -0.383 -14.362   0.292
  449    H    GLY  58           H        GLY  58  -4.785 -11.310   1.552
  450    HA2  GLY  58           2HA      GLY  58  -6.156 -11.834   3.400
  451    HA3  GLY  58           3HA      GLY  58  -5.673 -13.531   3.306
  452    H    MET  59           H        MET  59  -2.742 -12.245   2.951
  453    HA   MET  59           HA       MET  59  -2.089 -12.326   5.823
  454    HB2  MET  59           2HB      MET  59  -0.341 -12.029   3.336
  455    HB3  MET  59           3HB      MET  59   0.230 -12.078   5.005
  456    HG2  MET  59           2HG      MET  59  -0.813 -14.351   5.247
  457    HG3  MET  59           3HG      MET  59  -1.201 -14.306   3.520
  458    HE1  MET  59           3HE      MET  59   1.698 -16.927   3.652
  459    HE2  MET  59           1HE      MET  59   0.410 -16.683   4.852
  460    HE3  MET  59           2HE      MET  59   0.039 -16.586   3.115
  461    H    ASP  60           H        ASP  60  -2.548 -10.463   6.860
  462    HA   ASP  60           HA       ASP  60  -2.438  -7.775   5.853
  463    HB2  ASP  60           2HB      ASP  60  -3.565  -8.331   7.939
  464    HB3  ASP  60           3HB      ASP  60  -2.077  -8.977   8.627
  465    H    VAL  61           H        VAL  61  -0.620  -6.424   5.534
  466    HA   VAL  61           HA       VAL  61   1.976  -7.822   5.883
  467    HB   VAL  61           HB       VAL  61   2.939  -6.470   4.230
  468   HG11  VAL  61          1HG1      VAL  61   1.743  -7.256   2.267
  469   HG12  VAL  61          2HG1      VAL  61   1.663  -8.492   3.530
  470   HG13  VAL  61          3HG1      VAL  61   0.254  -7.472   3.197
  471   HG21  VAL  61          3HG2      VAL  61   0.312  -4.966   3.975
  472   HG22  VAL  61          1HG2      VAL  61   1.910  -4.319   4.431
  473   HG23  VAL  61          2HG2      VAL  61   1.641  -4.912   2.799
  474    H    ASN  62           H        ASN  62   3.398  -7.223   7.266
  475    HA   ASN  62           HA       ASN  62   2.893  -4.984   9.142
  476    HB2  ASN  62           2HB      ASN  62   3.320  -7.160  10.164
  477    HB3  ASN  62           3HB      ASN  62   4.746  -7.402   9.147
  478   HD21  ASN  62          2HD2      ASN  62   6.071  -7.693  11.052
  479   HD22  ASN  62          1HD2      ASN  62   6.554  -6.324  12.021
  480    H    GLY  63           H        GLY  63   3.587  -3.170   8.036
  481    HA2  GLY  63           2HA      GLY  63   5.083  -1.585   7.328
  482    HA3  GLY  63           3HA      GLY  63   6.401  -2.667   7.781
  483    H    ARG  64           H        ARG  64   6.941  -4.414   6.293
  484    HA   ARG  64           HA       ARG  64   6.002  -4.270   3.549
  485    HB2  ARG  64           2HB      ARG  64   8.184  -3.958   2.515
  486    HB3  ARG  64           3HB      ARG  64   7.739  -2.548   3.456
  487    HG2  ARG  64           2HG      ARG  64   9.563  -4.659   4.659
  488    HG3  ARG  64           3HG      ARG  64  10.180  -3.476   3.509
  489    HD2  ARG  64           2HD      ARG  64   9.346  -1.622   4.928
  490    HD3  ARG  64           3HD      ARG  64   8.776  -2.800   6.121
  491    HE   ARG  64           HE       ARG  64  11.578  -3.134   5.502
  492   HH11  ARG  64          1HH1      ARG  64   9.308  -1.163   7.420
  493   HH12  ARG  64          2HH1      ARG  64  10.493  -0.815   8.666
  494   HH21  ARG  64          1HH2      ARG  64  13.138  -2.542   7.146
  495   HH22  ARG  64          2HH2      ARG  64  12.633  -1.585   8.491
  496    H    TYR  65           H        TYR  65   6.071  -6.196   5.883
  497    HA   TYR  65           HA       TYR  65   7.204  -8.465   4.331
  498    HB2  TYR  65           2HB      TYR  65   7.147  -8.159   7.353
  499    HB3  TYR  65           3HB      TYR  65   7.744  -9.548   6.455
  500    HD1  TYR  65           1HD      TYR  65   9.831  -9.346   5.047
  501    HD2  TYR  65           2HD      TYR  65   8.514  -6.180   7.665
  502    HE1  TYR  65           1HE      TYR  65  12.060  -8.272   4.863
  503    HE2  TYR  65           2HE      TYR  65  10.741  -5.104   7.496
  504    HH   TYR  65           HH       TYR  65  12.914  -5.278   6.651
  505    H    THR  66           H        THR  66   5.795 -10.353   4.311
  506    HA   THR  66           HA       THR  66   3.006  -9.797   4.818
  507    HB   THR  66           HB       THR  66   2.689 -12.184   4.276
  508    HG1  THR  66           1HG      THR  66   4.477 -13.403   3.671
  509   HG21  THR  66          3HG2      THR  66   4.606 -10.841   2.326
  510   HG22  THR  66          1HG2      THR  66   3.422 -12.118   1.968
  511   HG23  THR  66          2HG2      THR  66   2.855 -10.513   2.452
  512    H    ALA  67           H        ALA  67   1.706 -11.398   6.140
  513    HA   ALA  67           HA       ALA  67   2.346 -11.436   8.888
  514    HB1  ALA  67           3HB      ALA  67   0.071 -11.764   7.945
  515    HB2  ALA  67           1HB      ALA  67   0.597 -13.309   7.227
  516    HB3  ALA  67           2HB      ALA  67   0.517 -13.127   8.995
  517    H    ASP  68           H        ASP  68   2.969 -13.797   6.293
  518    HA   ASP  68           HA       ASP  68   4.142 -15.839   7.964
  519    HB2  ASP  68           2HB      ASP  68   3.225 -16.383   5.780
  520    HB3  ASP  68           3HB      ASP  68   4.359 -15.286   4.983
  521    H    GLY  69           H        GLY  69   5.457 -13.083   6.087
  522    HA2  GLY  69           2HA      GLY  69   7.224 -11.903   7.356
  523    HA3  GLY  69           3HA      GLY  69   8.095 -13.434   7.465
  524    H    LYS  70           H        LYS  70   6.700 -13.352   4.383
  525    HA   LYS  70           HA       LYS  70   9.220 -13.051   3.034
  526    HB2  LYS  70           2HB      LYS  70   6.352 -12.849   1.983
  527    HB3  LYS  70           3HB      LYS  70   7.787 -13.083   0.992
  528    HG2  LYS  70           2HG      LYS  70   6.842 -15.069   3.114
  529    HG3  LYS  70           3HG      LYS  70   6.406 -15.157   1.415
  530    HD2  LYS  70           2HD      LYS  70   8.737 -15.381   0.748
  531    HD3  LYS  70           3HD      LYS  70   9.291 -15.249   2.425
  532    HE2  LYS  70           2HE      LYS  70   7.308 -17.364   1.515
  533    HE3  LYS  70           3HE      LYS  70   9.057 -17.604   1.372
  534    HZ1  LYS  70           3HZ      LYS  70   9.211 -17.293   3.788
  535    HZ2  LYS  70           1HZ      LYS  70   7.572 -17.173   3.909
  536    HZ3  LYS  70           2HZ      LYS  70   8.263 -18.559   3.401
  537    H    GLU  71           H        GLU  71  10.147 -11.184   2.132
  538    HA   GLU  71           HA       GLU  71   9.113  -8.583   2.852
  539    HB2  GLU  71           2HB      GLU  71  11.536  -9.100   2.472
  540    HB3  GLU  71           3HB      GLU  71  11.197  -9.334   0.751
  541    HG2  GLU  71           2HG      GLU  71  10.369  -6.984   0.611
  542    HG3  GLU  71           3HG      GLU  71  10.700  -6.766   2.330
  543    H    VAL  72           H        VAL  72   7.567  -7.467   1.790
  544    HA   VAL  72           HA       VAL  72   5.839  -8.756   0.042
  545    HB   VAL  72           HB       VAL  72   6.215  -5.856   0.826
  546   HG11  VAL  72          1HG1      VAL  72   5.124  -5.599  -1.288
  547   HG12  VAL  72          2HG1      VAL  72   4.066  -6.989  -0.991
  548   HG13  VAL  72          3HG1      VAL  72   3.856  -5.487  -0.061
  549   HG21  VAL  72          3HG2      VAL  72   4.238  -6.281   2.192
  550   HG22  VAL  72          1HG2      VAL  72   4.051  -7.904   1.490
  551   HG23  VAL  72          2HG2      VAL  72   5.433  -7.542   2.528
  552    H    LEU  73           H        LEU  73   8.527  -6.553  -0.843
  553    HA   LEU  73           HA       LEU  73   7.723  -6.287  -3.582
  554    HB2  LEU  73           2HB      LEU  73  10.516  -6.089  -2.376
  555    HB3  LEU  73           3HB      LEU  73  10.045  -5.542  -3.982
  556    HG   LEU  73           HG       LEU  73   9.049  -4.402  -1.335
  557   HD11  LEU  73          1HD1      LEU  73  11.375  -3.806  -1.885
  558   HD12  LEU  73          2HD1      LEU  73  10.854  -3.198  -3.472
  559   HD13  LEU  73          3HD1      LEU  73  10.305  -2.399  -1.981
  560   HD21  LEU  73          3HD2      LEU  73   7.999  -2.613  -2.729
  561   HD22  LEU  73          1HD2      LEU  73   8.371  -3.556  -4.186
  562   HD23  LEU  73          2HD2      LEU  73   7.242  -4.188  -2.963
  563    H    GLU  74           H        GLU  74   9.760  -8.710  -1.899
  564    HA   GLU  74           HA       GLU  74  10.479 -10.085  -4.379
  565    HB2  GLU  74           2HB      GLU  74  10.685 -10.872  -1.435
  566    HB3  GLU  74           3HB      GLU  74  11.301 -11.845  -2.769
  567    HG2  GLU  74           2HG      GLU  74  12.208  -9.002  -2.138
  568    HG3  GLU  74           3HG      GLU  74  13.039 -10.463  -1.623
  569    H    TYR  75           H        TYR  75   8.057 -10.433  -1.776
  570    HA   TYR  75           HA       TYR  75   6.970 -12.914  -2.502
  571    HB2  TYR  75           2HB      TYR  75   6.550 -11.562  -0.408
  572    HB3  TYR  75           3HB      TYR  75   5.524 -10.494  -1.346
  573    HD1  TYR  75           2HD      TYR  75   5.933 -14.181  -0.693
  574    HD2  TYR  75           1HD      TYR  75   3.206 -10.872  -1.184
  575    HE1  TYR  75           2HE      TYR  75   4.056 -15.649  -0.058
  576    HE2  TYR  75           1HE      TYR  75   1.317 -12.334  -0.566
  577    HH   TYR  75           HH       TYR  75   1.768 -15.804   0.306
  578    H    LEU  76           H        LEU  76   6.057  -9.607  -3.594
  579    HA   LEU  76           HA       LEU  76   4.089 -10.600  -5.509
  580    HB2  LEU  76           2HB      LEU  76   5.403  -7.884  -5.065
  581    HB3  LEU  76           3HB      LEU  76   4.173  -8.181  -6.289
  582    HG   LEU  76           HG       LEU  76   3.725  -8.603  -3.298
  583   HD11  LEU  76          1HD1      LEU  76   2.875  -6.301  -5.110
  584   HD12  LEU  76          2HD1      LEU  76   2.417  -6.515  -3.405
  585   HD13  LEU  76          3HD1      LEU  76   4.110  -6.236  -3.834
  586   HD21  LEU  76          3HD2      LEU  76   1.833  -8.698  -5.675
  587   HD22  LEU  76          1HD2      LEU  76   2.202 -10.000  -4.529
  588   HD23  LEU  76          2HD2      LEU  76   1.300  -8.581  -3.989
  589    H    GLY  77           H        GLY  77   7.560  -9.691  -5.606
  590    HA2  GLY  77           2HA      GLY  77   7.841  -9.556  -8.410
  591    HA3  GLY  77           3HA      GLY  77   9.113  -9.934  -7.234
  592    H    ASN  78           H        ASN  78   7.872 -12.367  -6.203
  593    HA   ASN  78           HA       ASN  78   8.852 -14.342  -7.987
  594    HB2  ASN  78           2HB      ASN  78   8.700 -14.698  -5.584
  595    HB3  ASN  78           3HB      ASN  78   6.945 -14.504  -5.625
  596   HD21  ASN  78          2HD2      ASN  78   7.254 -16.699  -4.451
  597   HD22  ASN  78          1HD2      ASN  78   7.258 -18.113  -5.470
  598    HA   PRO  79           HA       PRO  79   5.158 -14.113 -10.527
  599    HB2  PRO  79           2HB      PRO  79   5.821 -15.614 -12.679
  600    HB3  PRO  79           3HB      PRO  79   6.491 -13.988 -12.345
  601    HG2  PRO  79           2HG      PRO  79   7.739 -16.685 -11.670
  602    HG3  PRO  79           3HG      PRO  79   8.513 -15.296 -12.501
  603    HD2  PRO  79           2HD      PRO  79   8.796 -15.738  -9.814
  604    HD3  PRO  79           3HD      PRO  79   8.711 -14.087 -10.494
  605    H    ALA  80           H        ALA  80   6.338 -17.038  -9.045
  606    HA   ALA  80           HA       ALA  80   4.105 -18.731  -9.713
  607    HB1  ALA  80           3HB      ALA  80   4.769 -19.996  -7.736
  608    HB2  ALA  80           1HB      ALA  80   6.235 -19.506  -8.612
  609    HB3  ALA  80           2HB      ALA  80   5.731 -18.637  -7.135
  610    H    ASN  81           H        ASN  81   4.338 -15.806  -7.936
  611    HA   ASN  81           HA       ASN  81   1.730 -16.173  -6.567
  612    HB2  ASN  81           2HB      ASN  81   3.748 -16.437  -5.076
  613    HB3  ASN  81           3HB      ASN  81   4.263 -14.820  -5.556
  614   HD21  ASN  81          2HD2      ASN  81   3.923 -13.482  -3.895
  615   HD22  ASN  81          1HD2      ASN  81   2.570 -13.519  -2.777
  616    H    TYR  82           H        TYR  82   2.660 -14.889  -9.240
  617    HA   TYR  82           HA       TYR  82   2.286 -12.053  -8.967
  618    HB2  TYR  82           2HB      TYR  82   2.063 -14.047 -11.236
  619    HB3  TYR  82           3HB      TYR  82   1.342 -12.467 -11.429
  620    HD1  TYR  82           2HD      TYR  82   4.269 -11.766  -9.537
  621    HD2  TYR  82           1HD      TYR  82   2.956 -12.978 -13.473
  622    HE1  TYR  82           2HE      TYR  82   6.281 -10.773 -10.505
  623    HE2  TYR  82           1HE      TYR  82   4.999 -11.994 -14.452
  624    HH   TYR  82           HH       TYR  82   7.502 -10.353 -12.452
  625    HA   PRO  83           HA       PRO  83  -2.320 -12.599  -9.657
  626    HB2  PRO  83           2HB      PRO  83  -3.628 -14.993  -9.458
  627    HB3  PRO  83           3HB      PRO  83  -2.893 -14.388 -10.972
  628    HG2  PRO  83           2HG      PRO  83  -1.721 -16.366  -8.997
  629    HG3  PRO  83           3HG      PRO  83  -1.775 -16.477 -10.783
  630    HD2  PRO  83           2HD      PRO  83   0.426 -15.608  -9.435
  631    HD3  PRO  83           3HD      PRO  83  -0.027 -14.936 -11.029
  632    H    VAL  84           H        VAL  84  -2.800 -11.535  -7.768
  633    HA   VAL  84           HA       VAL  84  -3.438 -13.123  -5.352
  634    HB   VAL  84           HB       VAL  84  -2.191 -11.419  -3.959
  635   HG11  VAL  84          1HG1      VAL  84  -1.425 -13.748  -4.166
  636   HG12  VAL  84          2HG1      VAL  84  -0.418 -13.283  -5.549
  637   HG13  VAL  84          3HG1      VAL  84  -0.089 -12.606  -3.945
  638   HG21  VAL  84          3HG2      VAL  84  -0.307 -10.233  -4.797
  639   HG22  VAL  84          1HG2      VAL  84  -0.450 -10.939  -6.410
  640   HG23  VAL  84          2HG2      VAL  84  -1.671  -9.788  -5.829
  641    H    SER  85           H        SER  85  -4.818 -12.004  -3.905
  642    HA   SER  85           HA       SER  85  -6.269  -9.662  -4.982
  643    HB2  SER  85           2HB      SER  85  -6.596 -11.221  -2.383
  644    HB3  SER  85           3HB      SER  85  -7.716 -10.015  -3.046
  645    HG   SER  85           HG       SER  85  -8.381 -12.177  -3.487
  646    H    ILE  86           H        ILE  86  -5.967  -7.599  -3.978
  647    HA   ILE  86           HA       ILE  86  -4.019  -7.493  -1.729
  648    HB   ILE  86           HB       ILE  86  -3.943  -5.626  -4.129
  649   HG12  ILE  86          2HG1      ILE  86  -2.109  -7.966  -3.430
  650   HG13  ILE  86          3HG1      ILE  86  -3.148  -7.842  -4.846
  651   HG21  ILE  86          1HG2      ILE  86  -3.212  -4.607  -1.999
  652   HG22  ILE  86          2HG2      ILE  86  -2.108  -5.967  -1.718
  653   HG23  ILE  86          3HG2      ILE  86  -1.832  -4.834  -3.052
  654   HD11  ILE  86          3HD1      ILE  86  -0.953  -7.417  -5.592
  655   HD12  ILE  86          1HD1      ILE  86  -1.781  -5.847  -5.593
  656   HD13  ILE  86          2HD1      ILE  86  -0.625  -6.262  -4.298
  657    H    ARG  87           H        ARG  87  -4.528  -6.101  -0.196
  658    HA   ARG  87           HA       ARG  87  -6.966  -4.386  -0.441
  659    HB2  ARG  87           2HB      ARG  87  -7.051  -6.130   1.367
  660    HB3  ARG  87           3HB      ARG  87  -5.526  -5.523   2.004
  661    HG2  ARG  87           2HG      ARG  87  -6.626  -3.295   2.430
  662    HG3  ARG  87           3HG      ARG  87  -8.162  -4.009   1.913
  663    HD2  ARG  87           2HD      ARG  87  -6.438  -5.042   4.206
  664    HD3  ARG  87           3HD      ARG  87  -7.835  -3.969   4.402
  665    HE   ARG  87           HE       ARG  87  -8.937  -6.009   2.988
  666   HH11  ARG  87          1HH1      ARG  87  -7.052  -6.066   6.018
  667   HH12  ARG  87          2HH1      ARG  87  -7.806  -7.514   6.577
  668   HH21  ARG  87          1HH2      ARG  87  -9.875  -7.763   3.665
  669   HH22  ARG  87          2HH2      ARG  87  -9.508  -8.549   5.192
  670    H    PHE  88           H        PHE  88  -6.393  -2.289  -0.665
  671    HA   PHE  88           HA       PHE  88  -3.703  -1.342   0.216
  672    HB2  PHE  88           2HB      PHE  88  -5.545  -0.460  -2.040
  673    HB3  PHE  88           3HB      PHE  88  -4.286   0.580  -1.409
  674    HD1  PHE  88           2HD      PHE  88  -1.908   0.094  -1.681
  675    HD2  PHE  88           1HD      PHE  88  -4.937  -2.387  -3.490
  676    HE1  PHE  88           2HE      PHE  88  -0.199  -0.905  -3.161
  677    HE2  PHE  88           1HE      PHE  88  -3.224  -3.327  -5.027
  678    HZ   PHE  88           HZ       PHE  88  -0.858  -2.608  -4.854
  679    H    GLY  89           H        GLY  89  -3.898   1.114   0.796
  680    HA2  GLY  89           2HA      GLY  89  -6.450   2.150   1.590
  681    HA3  GLY  89           3HA      GLY  89  -5.520   1.578   2.989
  682    H    ARG  90           H        ARG  90  -6.032   4.128   3.049
  683    HA   ARG  90           HA       ARG  90  -3.894   5.782   1.883
  684    HB2  ARG  90           2HB      ARG  90  -5.881   6.238   4.157
  685    HB3  ARG  90           3HB      ARG  90  -4.655   7.404   3.693
  686    HG2  ARG  90           2HG      ARG  90  -6.768   8.041   2.789
  687    HG3  ARG  90           3HG      ARG  90  -5.669   7.655   1.464
  688    HD2  ARG  90           2HD      ARG  90  -6.890   5.726   0.857
  689    HD3  ARG  90           3HD      ARG  90  -7.587   5.549   2.471
  690    HE   ARG  90           HE       ARG  90  -9.320   6.860   1.930
  691   HH11  ARG  90          1HH1      ARG  90  -6.891   7.368  -0.645
  692   HH12  ARG  90          2HH1      ARG  90  -7.902   8.444  -1.533
  693   HH21  ARG  90          1HH2      ARG  90 -10.645   8.256   0.700
  694   HH22  ARG  90          2HH2      ARG  90 -10.078   8.922  -0.779
  695    HA   PRO  91           HA       PRO  91  -0.899   4.287   4.938
  696    HB2  PRO  91           2HB      PRO  91   0.196   7.094   4.897
  697    HB3  PRO  91           3HB      PRO  91   1.067   5.545   4.676
  698    HG2  PRO  91           2HG      PRO  91   0.521   7.170   2.560
  699    HG3  PRO  91           3HG      PRO  91   0.373   5.389   2.413
  700    HD2  PRO  91           2HD      PRO  91  -1.828   7.417   2.855
  701    HD3  PRO  91           3HD      PRO  91  -1.780   6.013   1.747
  702    H    ARG  92           H        ARG  92  -0.555   4.551   7.261
  703    HA   ARG  92           HA       ARG  92  -2.551   6.070   8.701
  704    HB2  ARG  92           2HB      ARG  92  -1.594   3.975   9.609
  705    HB3  ARG  92           3HB      ARG  92   0.013   4.700   9.629
  706    HG2  ARG  92           2HG      ARG  92  -0.875   4.644  11.875
  707    HG3  ARG  92           3HG      ARG  92  -0.700   6.303  11.351
  708    HD2  ARG  92           2HD      ARG  92  -3.298   6.032  10.712
  709    HD3  ARG  92           3HD      ARG  92  -3.206   4.682  11.840
  710    HE   ARG  92           HE       ARG  92  -2.374   7.495  12.496
  711   HH11  ARG  92          1HH2      ARG  92  -4.247   4.630  13.462
  712   HH12  ARG  92          2HH2      ARG  92  -4.796   5.332  14.937
  713   HH21  ARG  92          1HH1      ARG  92  -3.156   8.452  14.383
  714   HH22  ARG  92          2HH1      ARG  92  -4.126   7.545  15.488
  715    H    LEU  93           H        LEU  93  -2.169   7.916  10.044
  716    HA   LEU  93           HA       LEU  93   0.207   9.570   9.482
  717    HB2  LEU  93           2HB      LEU  93  -1.671  10.114   7.899
  718    HB3  LEU  93           3HB      LEU  93  -2.701  10.482   9.278
  719    HG   LEU  93           HG       LEU  93  -1.394  12.446   9.816
  720   HD11  LEU  93          1HD1      LEU  93   0.536  11.581   7.616
  721   HD12  LEU  93          2HD1      LEU  93   0.554  13.160   8.429
  722   HD13  LEU  93          3HD1      LEU  93   0.908  11.702   9.350
  723   HD21  LEU  93          3HD2      LEU  93  -3.068  12.636   8.038
  724   HD22  LEU  93          1HD2      LEU  93  -1.725  13.760   7.797
  725   HD23  LEU  93          2HD2      LEU  93  -1.827  12.284   6.813
  726    H    THR  94           H        THR  94  -0.398  11.723  11.177
  727    HA   THR  94           HA       THR  94  -0.351  10.675  13.830
  728    HB   THR  94           HB       THR  94  -0.947  13.175  14.291
  729    HG1  THR  94           1HG      THR  94  -0.781  14.509  12.521
  730   HG21  THR  94          3HG2      THR  94   1.367  12.277  14.389
  731   HG22  THR  94          1HG2      THR  94   1.540  12.503  12.636
  732   HG23  THR  94          2HG2      THR  94   1.339  13.909  13.705
  733    H    SER  95           H        SER  95  -2.912  12.324  11.957
  734    HA   SER  95           HA       SER  95  -5.105  11.759  13.634
  735    HB2  SER  95           2HB      SER  95  -5.032  11.951  10.587
  736    HB3  SER  95           3HB      SER  95  -6.465  12.113  11.615
  737    HG   SER  95           HG       SER  95  -5.972  14.104  11.456
  738    H    ASN  96           H        ASN  96  -6.777  10.215  13.461
  739    HA   ASN  96           HA       ASN  96  -6.107   7.465  13.058
  740    HB2  ASN  96           2HB      ASN  96  -8.067   8.474  14.402
  741    HB3  ASN  96           3HB      ASN  96  -8.876   8.691  12.846
  742   HD21  ASN  96          2HD2      ASN  96  -7.894   6.125  11.650
  743   HD22  ASN  96          1HD2      ASN  96  -8.803   4.876  12.492
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -0.584 -11.212  19.686
    2    H2   MET   1           H2       MET   1   0.689 -12.214  19.412
    3    H3   MET   1           H3       MET   1   0.794 -10.621  19.041
    4    HA   MET   1           HA       MET   1   0.514 -11.883  17.053
    5    HB2  MET   1           2HB      MET   1  -0.741 -13.754  18.211
    6    HB3  MET   1           3HB      MET   1  -2.183 -12.732  18.209
    7    HG2  MET   1           2HG      MET   1  -2.117 -12.670  15.726
    8    HG3  MET   1           3HG      MET   1  -0.633 -13.631  15.743
    9    HE1  MET   1           3HE      MET   1  -1.500 -15.430  14.106
   10    HE2  MET   1           1HE      MET   1  -3.105 -16.185  14.217
   11    HE3  MET   1           2HE      MET   1  -2.962 -14.444  13.898
   12    H    GLY   2           H        GLY   2  -0.505 -10.843  15.255
   13    HA2  GLY   2           2HA      GLY   2  -2.756  -9.056  15.589
   14    HA3  GLY   2           3HA      GLY   2  -1.224  -8.179  15.376
   15    H    HIS   3           H        HIS   3   0.220  -9.608  13.579
   16    HA   HIS   3           HA       HIS   3  -1.137  -9.417  11.074
   17    HB2  HIS   3           2HB      HIS   3   1.328 -11.083  11.698
   18    HB3  HIS   3           3HB      HIS   3   0.822 -10.436  10.132
   19    HD1  HIS   3           1HD      HIS   3   0.404  -7.413  10.619
   20    HD2  HIS   3           2HD      HIS   3   3.341  -9.721  12.596
   21    HE1  HIS   3           1HE      HIS   3   2.124  -5.777  11.536
   22    H    HIS   4           H        HIS   4  -1.779 -11.167   9.680
   23    HA   HIS   4           HA       HIS   4  -3.053 -12.904   9.101
   24    HB2  HIS   4           2HB      HIS   4  -2.212 -14.381  11.620
   25    HB3  HIS   4           3HB      HIS   4  -3.088 -15.035  10.262
   26    HD1  HIS   4           1HD      HIS   4  -1.593 -15.246   7.887
   27    HD2  HIS   4           2HD      HIS   4   0.371 -14.645  11.561
   28    HE1  HIS   4           1HE      HIS   4   0.811 -16.008   7.547
   29    H    HIS   5           H        HIS   5  -3.338 -12.168  12.618
   30    HA   HIS   5           HA       HIS   5  -6.068 -12.997  12.817
   31    HB2  HIS   5           2HB      HIS   5  -4.381 -12.791  14.684
   32    HB3  HIS   5           3HB      HIS   5  -4.551 -11.041  14.600
   33    HD1  HIS   5           1HD      HIS   5  -7.944 -11.467  14.256
   34    HD2  HIS   5           2HD      HIS   5  -5.250 -12.759  17.227
   35    HE1  HIS   5           1HE      HIS   5  -9.327 -11.839  16.367
   36    H    HIS   6           H        HIS   6  -4.533  -9.762  12.303
   37    HA   HIS   6           HA       HIS   6  -6.987  -8.304  12.344
   38    HB2  HIS   6           2HB      HIS   6  -4.757  -7.268  12.646
   39    HB3  HIS   6           3HB      HIS   6  -4.353  -7.630  10.968
   40    HD1  HIS   6           1HD      HIS   6  -6.757  -5.386  13.018
   41    HD2  HIS   6           2HD      HIS   6  -5.355  -5.982   9.091
   42    HE1  HIS   6           1HE      HIS   6  -7.642  -3.443  11.636
   43    H    HIS   7           H        HIS   7  -8.547  -8.143  10.852
   44    HA   HIS   7           HA       HIS   7  -8.112  -8.355   8.012
   45    HB2  HIS   7           2HB      HIS   7  -8.355 -10.792   8.922
   46    HB3  HIS   7           3HB      HIS   7 -10.021 -10.362   9.287
   47    HD1  HIS   7           1HD      HIS   7  -7.631 -10.755   6.241
   48    HD2  HIS   7           2HD      HIS   7 -11.724 -10.506   7.250
   49    HE1  HIS   7           1HE      HIS   7  -8.940 -11.354   4.144
   50    H    HIS   8           H        HIS   8 -10.357  -7.944   6.961
   51    HA   HIS   8           HA       HIS   8 -12.386  -6.709   8.654
   52    HB2  HIS   8           2HB      HIS   8 -12.273  -4.509   7.581
   53    HB3  HIS   8           3HB      HIS   8 -10.790  -4.855   8.447
   54    HD1  HIS   8           1HD      HIS   8 -12.067  -4.413   4.832
   55    HD2  HIS   8           2HD      HIS   8  -8.522  -5.177   6.977
   56    HE1  HIS   8           1HE      HIS   8 -10.164  -3.925   3.244
   57    H    LEU   9           H        LEU   9 -14.142  -5.751   7.076
   58    HA   LEU   9           HA       LEU   9 -15.103  -7.786   5.376
   59    HB2  LEU   9           2HB      LEU   9 -16.473  -6.008   6.454
   60    HB3  LEU   9           3HB      LEU   9 -15.707  -4.798   5.423
   61    HG   LEU   9           HG       LEU   9 -16.722  -5.864   3.416
   62   HD11  LEU   9          1HD1      LEU   9 -18.540  -7.530   3.707
   63   HD12  LEU   9          2HD1      LEU   9 -16.985  -8.199   4.196
   64   HD13  LEU   9          3HD1      LEU   9 -18.142  -7.664   5.432
   65   HD21  LEU   9          3HD2      LEU   9 -17.853  -4.006   4.569
   66   HD22  LEU   9          1HD2      LEU   9 -19.021  -5.129   3.858
   67   HD23  LEU   9          2HD2      LEU   9 -18.713  -5.161   5.609
   68    H    ASP  10           H        ASP  10 -15.097  -8.028   3.121
   69    HA   ASP  10           HA       ASP  10 -12.809  -7.544   1.644
   70    HB2  ASP  10           2HB      ASP  10 -14.471  -9.243   1.129
   71    HB3  ASP  10           3HB      ASP  10 -15.690  -8.016   0.791
   72    H    SER  11           H        SER  11 -15.687  -5.531   1.850
   73    HA   SER  11           HA       SER  11 -15.293  -3.777  -0.298
   74    HB2  SER  11           2HB      SER  11 -16.666  -3.180   2.351
   75    HB3  SER  11           3HB      SER  11 -17.055  -2.517   0.754
   76    HG   SER  11           HG       SER  11 -18.505  -4.165   1.282
   77    H    TYR  12           H        TYR  12 -15.189  -1.295   0.138
   78    HA   TYR  12           HA       TYR  12 -12.626  -0.551   1.231
   79    HB2  TYR  12           2HB      TYR  12 -13.356   1.737   0.756
   80    HB3  TYR  12           3HB      TYR  12 -13.598   0.687  -0.621
   81    HD1  TYR  12           2HD      TYR  12 -15.294   2.589   2.087
   82    HD2  TYR  12           1HD      TYR  12 -15.842   0.240  -1.496
   83    HE1  TYR  12           2HE      TYR  12 -17.659   3.292   1.997
   84    HE2  TYR  12           1HE      TYR  12 -18.215   0.935  -1.591
   85    HH   TYR  12           HH       TYR  12 -19.684   3.134   0.849
   86    H    ALA  13           H        ALA  13 -12.463   1.173   2.919
   87    HA   ALA  13           HA       ALA  13 -14.465   1.160   5.061
   88    HB1  ALA  13           3HB      ALA  13 -12.954  -0.840   5.490
   89    HB2  ALA  13           1HB      ALA  13 -11.576   0.282   5.568
   90    HB3  ALA  13           2HB      ALA  13 -12.880   0.379   6.761
   91    HA   PRO  14           HA       PRO  14 -13.288   5.327   5.550
   92    HB2  PRO  14           2HB      PRO  14 -12.176   4.795   8.315
   93    HB3  PRO  14           3HB      PRO  14 -13.230   6.140   7.768
   94    HG2  PRO  14           2HG      PRO  14 -14.331   4.017   9.019
   95    HG3  PRO  14           3HG      PRO  14 -15.109   4.663   7.537
   96    HD2  PRO  14           2HD      PRO  14 -13.307   2.261   7.827
   97    HD3  PRO  14           3HD      PRO  14 -14.817   2.430   6.879
   98    H    ARG  15           H        ARG  15 -10.604   3.110   6.138
   99    HA   ARG  15           HA       ARG  15  -8.798   5.150   4.977
  100    HB2  ARG  15           2HB      ARG  15  -7.061   4.747   6.536
  101    HB3  ARG  15           3HB      ARG  15  -8.512   5.096   7.466
  102    HG2  ARG  15           2HG      ARG  15  -8.805   2.576   7.772
  103    HG3  ARG  15           3HG      ARG  15  -7.236   2.360   7.005
  104    HD2  ARG  15           2HD      ARG  15  -7.895   3.664   9.651
  105    HD3  ARG  15           3HD      ARG  15  -6.863   2.268   9.360
  106    HE   ARG  15           HE       ARG  15  -6.083   4.967   9.545
  107   HH11  ARG  15          1HH1      ARG  15  -5.280   2.244   7.372
  108   HH12  ARG  15          2HH1      ARG  15  -3.737   2.916   6.943
  109   HH21  ARG  15          1HH2      ARG  15  -4.037   5.683   9.142
  110   HH22  ARG  15          2HH2      ARG  15  -2.936   4.778   8.123
  111    H    ALA  16           H        ALA  16 -10.225   2.580   3.926
  112    HA   ALA  16           HA       ALA  16  -7.782   1.355   2.801
  113    HB1  ALA  16           3HB      ALA  16  -8.564  -0.905   3.189
  114    HB2  ALA  16           1HB      ALA  16  -8.415  -0.072   4.747
  115    HB3  ALA  16           2HB      ALA  16 -10.019  -0.315   4.008
  116    H    GLU  17           H        GLU  17  -7.998   0.715   0.758
  117    HA   GLU  17           HA       GLU  17 -10.370   1.754  -0.659
  118    HB2  GLU  17           2HB      GLU  17  -7.593   1.045  -1.691
  119    HB3  GLU  17           3HB      GLU  17  -8.850   1.921  -2.570
  120    HG2  GLU  17           2HG      GLU  17  -7.402   2.936  -0.095
  121    HG3  GLU  17           3HG      GLU  17  -7.072   3.391  -1.757
  122    H    ALA  18           H        ALA  18 -10.319  -0.977   0.564
  123    HA   ALA  18           HA       ALA  18 -11.367  -2.914   0.207
  124    HB1  ALA  18           3HB      ALA  18 -11.831  -2.210  -2.707
  125    HB2  ALA  18           1HB      ALA  18 -12.758  -3.311  -1.680
  126    HB3  ALA  18           2HB      ALA  18 -12.821  -1.563  -1.389
  127    H    GLU  19           H        GLU  19 -11.306  -5.018  -0.973
  128    HA   GLU  19           HA       GLU  19  -8.559  -5.711  -1.778
  129    HB2  GLU  19           2HB      GLU  19 -10.008  -7.101  -0.194
  130    HB3  GLU  19           3HB      GLU  19 -11.052  -7.457  -1.562
  131    HG2  GLU  19           2HG      GLU  19  -9.170  -8.527  -2.758
  132    HG3  GLU  19           3HG      GLU  19  -8.072  -8.106  -1.445
  133    H    LYS  20           H        LYS  20  -7.953  -6.228  -3.870
  134    HA   LYS  20           HA       LYS  20 -10.036  -6.779  -5.882
  135    HB2  LYS  20           2HB      LYS  20  -7.783  -4.797  -6.442
  136    HB3  LYS  20           3HB      LYS  20  -8.886  -5.468  -7.606
  137    HG2  LYS  20           2HG      LYS  20  -9.698  -3.351  -7.312
  138    HG3  LYS  20           3HG      LYS  20 -10.802  -4.345  -6.379
  139    HD2  LYS  20           2HD      LYS  20 -10.265  -2.179  -5.311
  140    HD3  LYS  20           3HD      LYS  20  -9.820  -3.526  -4.287
  141    HE2  LYS  20           2HE      LYS  20  -7.433  -3.293  -5.141
  142    HE3  LYS  20           3HE      LYS  20  -7.955  -1.827  -5.985
  143    HZ1  LYS  20           3HZ      LYS  20  -7.932  -2.315  -3.060
  144    HZ2  LYS  20           1HZ      LYS  20  -7.059  -1.167  -3.905
  145    HZ3  LYS  20           2HZ      LYS  20  -8.695  -1.052  -3.693
  146    H    THR  21           H        THR  21  -9.115  -8.023  -7.689
  147    HA   THR  21           HA       THR  21  -6.793  -9.653  -6.996
  148    HB   THR  21           HB       THR  21  -7.426 -10.590  -9.355
  149    HG1  THR  21           1HG      THR  21  -8.833  -9.000 -10.053
  150   HG21  THR  21          3HG2      THR  21  -9.229 -11.956  -8.365
  151   HG22  THR  21          1HG2      THR  21  -7.877 -11.764  -7.240
  152   HG23  THR  21          2HG2      THR  21  -9.361 -10.819  -7.004
  153    H    PHE  22           H        PHE  22  -4.830  -9.643  -8.132
  154    HA   PHE  22           HA       PHE  22  -4.337  -7.546 -10.158
  155    HB2  PHE  22           2HB      PHE  22  -2.757  -7.956  -7.579
  156    HB3  PHE  22           3HB      PHE  22  -2.195  -7.003  -8.943
  157    HD1  PHE  22           2HD      PHE  22  -3.343  -4.884  -9.605
  158    HD2  PHE  22           1HD      PHE  22  -4.456  -7.075  -6.064
  159    HE1  PHE  22           2HE      PHE  22  -4.544  -2.894  -8.745
  160    HE2  PHE  22           1HE      PHE  22  -5.616  -5.072  -5.183
  161    HZ   PHE  22           HZ       PHE  22  -5.654  -2.970  -6.525
  162    H    SER  23           H        SER  23  -2.366  -7.873 -11.256
  163    HA   SER  23           HA       SER  23  -0.886 -10.363 -11.159
  164    HB2  SER  23           2HB      SER  23  -2.351  -9.461 -13.677
  165    HB3  SER  23           3HB      SER  23  -1.203 -10.804 -13.554
  166    HG   SER  23           HG       SER  23  -3.402 -11.484 -13.491
  167    H    TYR  24           H        TYR  24   0.901 -10.022 -13.058
  168    HA   TYR  24           HA       TYR  24   1.604  -7.176 -13.336
  169    HB2  TYR  24           2HB      TYR  24   3.406  -9.319 -12.180
  170    HB3  TYR  24           3HB      TYR  24   3.934  -7.699 -12.580
  171    HD1  TYR  24           2HD      TYR  24   2.789  -5.703 -11.368
  172    HD2  TYR  24           1HD      TYR  24   2.529  -9.797 -10.060
  173    HE1  TYR  24           2HE      TYR  24   2.031  -4.936  -9.133
  174    HE2  TYR  24           1HE      TYR  24   1.715  -9.055  -7.834
  175    HH   TYR  24           HH       TYR  24   1.111  -7.206  -6.527
  176    HA   PRO  25           HA       PRO  25   4.277  -6.491 -14.316
  177    HB2  PRO  25           2HB      PRO  25   3.826  -5.696 -17.185
  178    HB3  PRO  25           3HB      PRO  25   5.267  -5.449 -16.151
  179    HG2  PRO  25           2HG      PRO  25   5.243  -7.433 -17.991
  180    HG3  PRO  25           3HG      PRO  25   5.890  -7.752 -16.346
  181    HD2  PRO  25           2HD      PRO  25   3.147  -8.422 -17.448
  182    HD3  PRO  25           3HD      PRO  25   4.253  -9.440 -16.481
  183    H    LEU  26           H        LEU  26   1.332  -6.603 -16.319
  184    HA   LEU  26           HA       LEU  26  -0.428  -5.266 -16.584
  185    HB2  LEU  26           2HB      LEU  26  -0.874  -6.404 -14.462
  186    HB3  LEU  26           3HB      LEU  26  -0.225  -5.040 -13.567
  187    HG   LEU  26           HG       LEU  26  -2.096  -3.627 -14.278
  188   HD11  LEU  26          1HD1      LEU  26  -2.995  -5.999 -15.970
  189   HD12  LEU  26          2HD1      LEU  26  -3.980  -4.561 -15.618
  190   HD13  LEU  26          3HD1      LEU  26  -2.501  -4.392 -16.561
  191   HD21  LEU  26          3HD2      LEU  26  -3.104  -6.362 -13.407
  192   HD22  LEU  26          1HD2      LEU  26  -2.399  -5.137 -12.335
  193   HD23  LEU  26          2HD2      LEU  26  -3.923  -4.800 -13.174
  194    H    ASP  27           H        ASP  27  -0.353  -2.870 -14.182
  195    HA   ASP  27           HA       ASP  27   1.453  -1.058 -15.577
  196    HB2  ASP  27           2HB      ASP  27  -0.621  -1.063 -17.006
  197    HB3  ASP  27           3HB      ASP  27  -1.539  -0.484 -15.617
  198    H    LEU  28           H        LEU  28   1.666  -1.990 -13.039
  199    HA   LEU  28           HA       LEU  28   1.377   0.432 -11.463
  200    HB2  LEU  28           2HB      LEU  28   0.263  -0.436  -9.618
  201    HB3  LEU  28           3HB      LEU  28  -0.732  -0.884 -10.989
  202    HG   LEU  28           HG       LEU  28   1.173  -2.747  -9.481
  203   HD11  LEU  28          1HD1      LEU  28  -0.743  -2.021  -8.119
  204   HD12  LEU  28          2HD1      LEU  28  -1.862  -2.540  -9.400
  205   HD13  LEU  28          3HD1      LEU  28  -0.865  -3.734  -8.540
  206   HD21  LEU  28          3HD2      LEU  28   0.899  -3.598 -11.747
  207   HD22  LEU  28          1HD2      LEU  28  -0.106  -4.569 -10.677
  208   HD23  LEU  28          2HD2      LEU  28  -0.860  -3.316 -11.685
  209    H    LEU  29           H        LEU  29   2.688   0.256  -9.420
  210    HA   LEU  29           HA       LEU  29   4.810  -1.772  -9.383
  211    HB2  LEU  29           2HB      LEU  29   5.511  -0.135 -11.150
  212    HB3  LEU  29           3HB      LEU  29   5.314   1.180  -9.998
  213    HG   LEU  29           HG       LEU  29   7.178   0.260  -8.625
  214   HD11  LEU  29          1HD1      LEU  29   7.035  -2.148  -9.200
  215   HD12  LEU  29          2HD1      LEU  29   7.458  -1.779 -10.884
  216   HD13  LEU  29          3HD1      LEU  29   8.634  -1.511  -9.580
  217   HD21  LEU  29          3HD2      LEU  29   7.606   1.953 -10.352
  218   HD22  LEU  29          1HD2      LEU  29   8.977   0.849 -10.181
  219   HD23  LEU  29          2HD2      LEU  29   7.867   0.675 -11.559
  220    H    LEU  30           H        LEU  30   6.061  -1.585  -7.372
  221    HA   LEU  30           HA       LEU  30   4.878   0.202  -5.301
  222    HB2  LEU  30           2HB      LEU  30   5.921  -2.629  -4.923
  223    HB3  LEU  30           3HB      LEU  30   5.333  -1.560  -3.656
  224    HG   LEU  30           HG       LEU  30   3.679  -2.832  -5.871
  225   HD11  LEU  30          1HD1      LEU  30   2.647  -4.068  -4.014
  226   HD12  LEU  30          2HD1      LEU  30   4.395  -4.341  -4.052
  227   HD13  LEU  30          3HD1      LEU  30   3.700  -3.237  -2.847
  228   HD21  LEU  30          3HD2      LEU  30   2.698  -0.660  -5.406
  229   HD22  LEU  30          1HD2      LEU  30   1.706  -1.911  -4.672
  230   HD23  LEU  30          2HD2      LEU  30   2.793  -0.936  -3.649
  231    H    LYS  31           H        LYS  31   6.390   0.880  -3.650
  232    HA   LYS  31           HA       LYS  31   9.223   0.147  -3.957
  233    HB2  LYS  31           2HB      LYS  31  10.007   2.481  -3.941
  234    HB3  LYS  31           3HB      LYS  31   9.091   2.090  -5.377
  235    HG2  LYS  31           2HG      LYS  31   8.302   4.175  -4.935
  236    HG3  LYS  31           3HG      LYS  31   7.054   3.212  -4.153
  237    HD2  LYS  31           2HD      LYS  31   8.132   3.631  -1.947
  238    HD3  LYS  31           3HD      LYS  31   9.396   4.580  -2.734
  239    HE2  LYS  31           2HE      LYS  31   6.405   5.187  -2.899
  240    HE3  LYS  31           3HE      LYS  31   7.464   5.866  -1.664
  241    HZ1  LYS  31           3HZ      LYS  31   7.788   6.323  -4.579
  242    HZ2  LYS  31           1HZ      LYS  31   7.205   7.398  -3.505
  243    HZ3  LYS  31           2HZ      LYS  31   8.760   6.932  -3.415
  244    H    LEU  32           H        LEU  32  10.459   0.661  -2.000
  245    HA   LEU  32           HA       LEU  32   8.799   0.589   0.440
  246    HB2  LEU  32           2HB      LEU  32  10.653  -0.980   0.168
  247    HB3  LEU  32           3HB      LEU  32  11.799   0.324  -0.067
  248    HG   LEU  32           HG       LEU  32  11.801  -0.893   2.137
  249   HD11  LEU  32          1HD1      LEU  32  12.940   1.284   1.855
  250   HD12  LEU  32          2HD1      LEU  32  11.492   2.110   2.470
  251   HD13  LEU  32          3HD1      LEU  32  12.376   0.977   3.503
  252   HD21  LEU  32          3HD2      LEU  32   9.427   0.826   2.917
  253   HD22  LEU  32          1HD2      LEU  32   9.298  -0.884   2.452
  254   HD23  LEU  32          2HD2      LEU  32  10.255  -0.421   3.869
  255    H    HIS  33           H        HIS  33   8.355   2.445   1.564
  256    HA   HIS  33           HA       HIS  33  10.359   4.528   1.860
  257    HB2  HIS  33           2HB      HIS  33   9.215   5.278  -0.207
  258    HB3  HIS  33           3HB      HIS  33   7.650   5.153   0.606
  259    HD1  HIS  33           1HD      HIS  33  10.903   7.274   0.772
  260    HD2  HIS  33           2HD      HIS  33   6.882   7.257   2.030
  261    HE1  HIS  33           1HE      HIS  33  10.458   9.565   1.783
  262    H    ASP  34           H        ASP  34   9.979   5.647   3.824
  263    HA   ASP  34           HA       ASP  34   9.346   5.763   5.989
  264    HB2  ASP  34           2HB      ASP  34   7.723   7.220   4.885
  265    HB3  ASP  34           3HB      ASP  34   6.586   5.876   4.736
  266    H    GLU  35           H        GLU  35  10.017   3.291   5.369
  267    HA   GLU  35           HA       GLU  35   9.945   1.126   5.716
  268    HB2  GLU  35           2HB      GLU  35   9.710   0.378   7.962
  269    HB3  GLU  35           3HB      GLU  35  10.537   1.923   7.900
  270    HG2  GLU  35           2HG      GLU  35   8.575   3.094   8.733
  271    HG3  GLU  35           3HG      GLU  35   7.592   1.628   8.619
  272    H    ARG  36           H        ARG  36   7.473   2.092   4.314
  273    HA   ARG  36           HA       ARG  36   6.167  -0.563   4.552
  274    HB2  ARG  36           2HB      ARG  36   4.751   2.111   4.121
  275    HB3  ARG  36           3HB      ARG  36   4.001   0.521   3.976
  276    HG2  ARG  36           2HG      ARG  36   4.597   0.110   6.423
  277    HG3  ARG  36           3HG      ARG  36   5.116   1.791   6.508
  278    HD2  ARG  36           2HD      ARG  36   3.037   2.453   6.849
  279    HD3  ARG  36           3HD      ARG  36   2.540   1.851   5.280
  280    HE   ARG  36           HE       ARG  36   2.014   0.702   7.894
  281   HH11  ARG  36          1HH1      ARG  36   2.431  -0.326   4.518
  282   HH12  ARG  36          2HH1      ARG  36   1.072  -1.389   4.523
  283   HH21  ARG  36          1HH2      ARG  36   0.382  -0.927   7.979
  284   HH22  ARG  36          2HH2      ARG  36   0.067  -1.909   6.599
  285    H    VAL  37           H        VAL  37   5.074  -1.221   2.508
  286    HA   VAL  37           HA       VAL  37   6.503  -0.131   0.145
  287    HB   VAL  37           HB       VAL  37   5.049  -1.803  -1.099
  288   HG11  VAL  37          1HG1      VAL  37   7.445  -2.148  -0.631
  289   HG12  VAL  37          2HG1      VAL  37   7.036  -2.909   0.917
  290   HG13  VAL  37          3HG1      VAL  37   6.541  -3.672  -0.606
  291   HG21  VAL  37          3HG2      VAL  37   4.100  -3.672   0.072
  292   HG22  VAL  37          1HG2      VAL  37   4.636  -3.068   1.650
  293   HG23  VAL  37          2HG2      VAL  37   3.388  -2.205   0.743
  294    H    LEU  38           H        LEU  38   5.618   1.350  -1.163
  295    HA   LEU  38           HA       LEU  38   2.764   2.101  -0.772
  296    HB2  LEU  38           2HB      LEU  38   5.063   3.941  -1.533
  297    HB3  LEU  38           3HB      LEU  38   3.367   4.392  -1.404
  298    HG   LEU  38           HG       LEU  38   5.228   3.627   0.865
  299   HD11  LEU  38          1HD1      LEU  38   5.489   5.919  -0.088
  300   HD12  LEU  38          2HD1      LEU  38   3.772   6.231   0.237
  301   HD13  LEU  38          3HD1      LEU  38   4.896   5.942   1.582
  302   HD21  LEU  38          3HD2      LEU  38   3.049   2.773   1.479
  303   HD22  LEU  38          1HD2      LEU  38   3.351   4.247   2.392
  304   HD23  LEU  38          2HD2      LEU  38   2.263   4.291   0.984
  305    H    VAL  39           H        VAL  39   1.707   2.768  -2.674
  306    HA   VAL  39           HA       VAL  39   2.385   1.488  -5.150
  307    HB   VAL  39           HB       VAL  39   0.457   3.754  -4.504
  308   HG11  VAL  39          1HG1      VAL  39   0.532   1.894  -6.926
  309   HG12  VAL  39          2HG1      VAL  39  -0.704   3.120  -6.586
  310   HG13  VAL  39          3HG1      VAL  39   0.946   3.623  -6.948
  311   HG21  VAL  39          3HG2      VAL  39  -1.290   2.018  -4.502
  312   HG22  VAL  39          1HG2      VAL  39  -0.066   0.763  -4.789
  313   HG23  VAL  39          2HG2      VAL  39  -0.091   1.670  -3.260
  314    H    ALA  40           H        ALA  40   4.211   2.031  -6.184
  315    HA   ALA  40           HA       ALA  40   5.349   4.723  -6.205
  316    HB1  ALA  40           3HB      ALA  40   6.740   2.605  -6.367
  317    HB2  ALA  40           1HB      ALA  40   6.001   2.297  -7.944
  318    HB3  ALA  40           2HB      ALA  40   7.004   3.737  -7.707
  319    H    PHE  41           H        PHE  41   3.363   2.627  -8.273
  320    HA   PHE  41           HA       PHE  41   2.366   4.915  -9.774
  321    HB2  PHE  41           2HB      PHE  41   4.465   4.156 -11.010
  322    HB3  PHE  41           3HB      PHE  41   3.695   2.592 -11.246
  323    HD1  PHE  41           1HD      PHE  41   3.481   6.239 -12.015
  324    HD2  PHE  41           2HD      PHE  41   2.002   2.298 -12.980
  325    HE1  PHE  41           1HE      PHE  41   2.372   7.145 -14.043
  326    HE2  PHE  41           2HE      PHE  41   0.890   3.216 -14.992
  327    HZ   PHE  41           HZ       PHE  41   1.088   5.630 -15.544
  328    H    GLY  42           H        GLY  42   0.355   4.322 -10.815
  329    HA2  GLY  42           2HA      GLY  42  -0.827   1.833 -11.063
  330    HA3  GLY  42           3HA      GLY  42  -1.170   2.336  -9.389
  331    H    GLN  43           H        GLN  43  -1.471   4.981  -9.535
  332    HA   GLN  43           HA       GLN  43  -2.920   6.636  -9.890
  333    HB2  GLN  43           2HB      GLN  43  -2.662   7.707 -12.057
  334    HB3  GLN  43           3HB      GLN  43  -1.135   7.135 -11.403
  335    HG2  GLN  43           2HG      GLN  43  -1.029   5.304 -12.980
  336    HG3  GLN  43           3HG      GLN  43  -2.699   5.557 -13.480
  337   HE21  GLN  43          2HE2      GLN  43  -2.128   5.819 -15.708
  338   HE22  GLN  43          1HE2      GLN  43  -1.330   7.260 -16.280
  339    H    ARG  44           H        ARG  44  -4.494   4.377  -9.587
  340    HA   ARG  44           HA       ARG  44  -6.869   5.141 -11.192
  341    HB2  ARG  44           2HB      ARG  44  -5.762   2.317 -10.875
  342    HB3  ARG  44           3HB      ARG  44  -7.417   2.653 -11.372
  343    HG2  ARG  44           2HG      ARG  44  -6.714   3.690 -13.425
  344    HG3  ARG  44           3HG      ARG  44  -5.016   3.694 -12.930
  345    HD2  ARG  44           2HD      ARG  44  -5.032   1.203 -12.844
  346    HD3  ARG  44           3HD      ARG  44  -6.704   1.215 -13.411
  347    HE   ARG  44           HE       ARG  44  -6.013   1.691 -15.540
  348   HH11  ARG  44          1HH1      ARG  44  -3.153   2.301 -13.412
  349   HH12  ARG  44          2HH1      ARG  44  -2.052   2.066 -14.756
  350   HH21  ARG  44          1HH2      ARG  44  -4.417   1.623 -17.241
  351   HH22  ARG  44          2HH2      ARG  44  -2.731   1.832 -16.804
  352    H    ASP  45           H        ASP  45  -8.847   4.467 -10.123
  353    HA   ASP  45           HA       ASP  45  -8.922   4.768  -7.304
  354    HB2  ASP  45           2HB      ASP  45 -10.898   5.158  -8.646
  355    HB3  ASP  45           3HB      ASP  45 -10.878   3.500  -9.258
  356    H    GLY  46           H        GLY  46  -8.340   3.387  -5.729
  357    HA2  GLY  46           2HA      GLY  46  -8.386   1.287  -4.643
  358    HA3  GLY  46           3HA      GLY  46  -8.400   0.457  -6.200
  359    H    ILE  47           H        ILE  47  -6.129   2.535  -6.984
  360    HA   ILE  47           HA       ILE  47  -3.853   1.577  -5.401
  361    HB   ILE  47           HB       ILE  47  -2.562   1.081  -7.494
  362   HG12  ILE  47          2HG1      ILE  47  -5.308   0.816  -8.819
  363   HG13  ILE  47          3HG1      ILE  47  -4.141   2.094  -9.155
  364   HG21  ILE  47          1HG2      ILE  47  -3.191  -1.228  -7.514
  365   HG22  ILE  47          2HG2      ILE  47  -3.460  -0.617  -5.885
  366   HG23  ILE  47          3HG2      ILE  47  -4.842  -0.846  -6.975
  367   HD11  ILE  47          3HD1      ILE  47  -2.490   0.314  -9.863
  368   HD12  ILE  47          1HD1      ILE  47  -3.814  -0.866  -9.745
  369   HD13  ILE  47          2HD1      ILE  47  -3.925   0.476 -10.892
  370    H    ARG  48           H        ARG  48  -4.767   3.853  -4.923
  371    HA   ARG  48           HA       ARG  48  -4.046   6.064  -6.624
  372    HB2  ARG  48           2HB      ARG  48  -4.528   5.786  -3.622
  373    HB3  ARG  48           3HB      ARG  48  -4.279   7.341  -4.424
  374    HG2  ARG  48           2HG      ARG  48  -6.324   7.181  -5.651
  375    HG3  ARG  48           3HG      ARG  48  -6.463   5.449  -5.376
  376    HD2  ARG  48           2HD      ARG  48  -8.084   6.461  -4.005
  377    HD3  ARG  48           3HD      ARG  48  -6.804   5.856  -2.940
  378    HE   ARG  48           HE       ARG  48  -6.232   8.560  -3.528
  379   HH11  ARG  48          1HH1      ARG  48  -8.713   6.648  -1.832
  380   HH12  ARG  48          2HH1      ARG  48  -9.192   7.952  -0.790
  381   HH21  ARG  48          1HH2      ARG  48  -6.812  10.259  -2.073
  382   HH22  ARG  48          2HH2      ARG  48  -8.044  10.026  -0.896
  383    H    VAL  49           H        VAL  49  -2.051   7.127  -6.782
  384    HA   VAL  49           HA       VAL  49   0.303   5.710  -6.021
  385    HB   VAL  49           HB       VAL  49   0.003   8.630  -6.847
  386   HG11  VAL  49          1HG1      VAL  49   2.423   6.767  -6.937
  387   HG12  VAL  49          2HG1      VAL  49   2.353   8.404  -7.619
  388   HG13  VAL  49          3HG1      VAL  49   2.230   8.180  -5.875
  389   HG21  VAL  49          3HG2      VAL  49   0.470   6.114  -8.516
  390   HG22  VAL  49          1HG2      VAL  49  -0.953   7.187  -8.579
  391   HG23  VAL  49          2HG2      VAL  49   0.612   7.777  -9.126
  392    H    GLY  50           H        GLY  50   1.645   5.897  -4.244
  393    HA2  GLY  50           2HA      GLY  50   2.474   6.710  -2.267
  394    HA3  GLY  50           3HA      GLY  50   1.313   8.040  -2.302
  395    H    HIS  51           H        HIS  51  -0.654   5.357  -2.661
  396    HA   HIS  51           HA       HIS  51  -1.285   5.204   0.222
  397    HB2  HIS  51           2HB      HIS  51  -2.487   4.024  -2.296
  398    HB3  HIS  51           3HB      HIS  51  -2.775   3.252  -0.760
  399    HD1  HIS  51           1HD      HIS  51  -2.819   7.128  -1.247
  400    HD2  HIS  51           2HD      HIS  51  -5.142   3.828  -0.080
  401    HE1  HIS  51           1HE      HIS  51  -5.053   8.053  -0.498
  402    H    ALA  52           H        ALA  52  -1.401   2.945   1.176
  403    HA   ALA  52           HA       ALA  52   1.197   1.580   0.633
  404    HB1  ALA  52           3HB      ALA  52  -0.456   1.812   3.189
  405    HB2  ALA  52           1HB      ALA  52   1.138   1.040   3.024
  406    HB3  ALA  52           2HB      ALA  52   0.979   2.794   2.817
  407    H    VAL  53           H        VAL  53   1.245  -0.736   0.955
  408    HA   VAL  53           HA       VAL  53  -1.242  -2.142   0.261
  409    HB   VAL  53           HB       VAL  53   1.454  -3.234   1.177
  410   HG11  VAL  53          1HG1      VAL  53   0.649  -5.367   0.157
  411   HG12  VAL  53          2HG1      VAL  53  -0.295  -4.890   1.569
  412   HG13  VAL  53          3HG1      VAL  53  -0.954  -4.629  -0.056
  413   HG21  VAL  53          3HG2      VAL  53   0.300  -3.087  -1.641
  414   HG22  VAL  53          1HG2      VAL  53   1.597  -2.033  -1.035
  415   HG23  VAL  53          2HG2      VAL  53   1.864  -3.774  -1.182
  416    H    LEU  54           H        LEU  54  -2.581  -3.103   1.740
  417    HA   LEU  54           HA       LEU  54  -1.967  -2.789   4.649
  418    HB2  LEU  54           2HB      LEU  54  -4.415  -2.258   3.014
  419    HB3  LEU  54           3HB      LEU  54  -4.693  -3.141   4.496
  420    HG   LEU  54           HG       LEU  54  -4.960  -0.666   4.670
  421   HD11  LEU  54          1HD1      LEU  54  -2.850  -1.869   6.514
  422   HD12  LEU  54          2HD1      LEU  54  -3.863  -0.454   6.855
  423   HD13  LEU  54          3HD1      LEU  54  -4.608  -2.047   6.670
  424   HD21  LEU  54          3HD2      LEU  54  -1.918  -0.487   4.619
  425   HD22  LEU  54          1HD2      LEU  54  -2.956  -0.042   3.256
  426   HD23  LEU  54          2HD2      LEU  54  -3.091   0.823   4.794
  427    H    ALA  55           H        ALA  55  -3.227  -4.991   2.063
  428    HA   ALA  55           HA       ALA  55  -2.232  -7.169   3.743
  429    HB1  ALA  55           3HB      ALA  55  -5.164  -7.148   2.906
  430    HB2  ALA  55           1HB      ALA  55  -4.321  -8.486   3.691
  431    HB3  ALA  55           2HB      ALA  55  -4.567  -6.973   4.573
  432    H    ILE  56           H        ILE  56  -2.112  -9.214   2.580
  433    HA   ILE  56           HA       ILE  56  -2.640  -9.117  -0.345
  434    HB   ILE  56           HB       ILE  56  -0.070 -10.149   0.933
  435   HG12  ILE  56          2HG1      ILE  56  -0.430  -7.987  -1.191
  436   HG13  ILE  56          3HG1      ILE  56  -0.209  -7.644   0.525
  437   HG21  ILE  56          1HG2      ILE  56  -1.108 -10.328  -1.942
  438   HG22  ILE  56          2HG2      ILE  56   0.541 -10.779  -1.436
  439   HG23  ILE  56          3HG2      ILE  56  -0.837 -11.676  -0.828
  440   HD11  ILE  56          3HD1      ILE  56   1.830  -8.973  -1.291
  441   HD12  ILE  56          1HD1      ILE  56   1.871  -7.371  -0.548
  442   HD13  ILE  56          2HD1      ILE  56   1.984  -8.816   0.478
  443    H    ASN  57           H        ASN  57  -3.661 -10.924  -0.968
  444    HA   ASN  57           HA       ASN  57  -5.152 -12.590  -0.713
  445    HB2  ASN  57           2HB      ASN  57  -2.744 -13.988   0.491
  446    HB3  ASN  57           3HB      ASN  57  -4.157 -14.782  -0.197
  447   HD21  ASN  57          2HD2      ASN  57  -1.069 -14.339  -0.971
  448   HD22  ASN  57          1HD2      ASN  57  -1.185 -14.054  -2.689
  449    H    GLY  58           H        GLY  58  -5.281 -10.690   1.409
  450    HA2  GLY  58           2HA      GLY  58  -6.803 -10.467   3.138
  451    HA3  GLY  58           3HA      GLY  58  -6.870 -12.223   3.328
  452    H    MET  59           H        MET  59  -3.612 -11.727   3.366
  453    HA   MET  59           HA       MET  59  -3.476 -11.751   6.301
  454    HB2  MET  59           2HB      MET  59  -1.236 -11.923   4.227
  455    HB3  MET  59           3HB      MET  59  -1.118 -12.215   5.961
  456    HG2  MET  59           2HG      MET  59  -2.778 -14.114   5.650
  457    HG3  MET  59           3HG      MET  59  -2.586 -13.877   3.903
  458    HE1  MET  59           3HE      MET  59  -1.916 -16.399   3.575
  459    HE2  MET  59           1HE      MET  59  -0.650 -17.219   4.515
  460    HE3  MET  59           2HE      MET  59  -2.137 -16.671   5.320
  461    H    ASP  60           H        ASP  60  -3.465  -9.807   7.298
  462    HA   ASP  60           HA       ASP  60  -2.819  -7.249   6.391
  463    HB2  ASP  60           2HB      ASP  60  -3.830  -7.580   8.526
  464    HB3  ASP  60           3HB      ASP  60  -2.531  -8.636   9.073
  465    H    VAL  61           H        VAL  61  -0.899  -6.288   5.702
  466    HA   VAL  61           HA       VAL  61   1.547  -7.929   5.920
  467    HB   VAL  61           HB       VAL  61   2.626  -6.295   4.492
  468   HG11  VAL  61          1HG1      VAL  61   1.423  -8.219   3.517
  469   HG12  VAL  61          2HG1      VAL  61  -0.036  -7.227   3.351
  470   HG13  VAL  61          3HG1      VAL  61   1.429  -6.817   2.439
  471   HG21  VAL  61          3HG2      VAL  61   1.445  -4.512   3.351
  472   HG22  VAL  61          1HG2      VAL  61  -0.021  -4.824   4.297
  473   HG23  VAL  61          2HG2      VAL  61   1.445  -4.214   5.086
  474    H    ASN  62           H        ASN  62   3.351  -7.413   7.007
  475    HA   ASN  62           HA       ASN  62   3.218  -5.511   9.254
  476    HB2  ASN  62           2HB      ASN  62   4.140  -7.782   9.643
  477    HB3  ASN  62           3HB      ASN  62   5.322  -7.525   8.368
  478   HD21  ASN  62          2HD2      ASN  62   7.022  -7.913  10.004
  479   HD22  ASN  62          1HD2      ASN  62   7.464  -6.638  11.105
  480    H    GLY  63           H        GLY  63   2.920  -3.842   7.460
  481    HA2  GLY  63           2HA      GLY  63   3.697  -1.898   6.633
  482    HA3  GLY  63           3HA      GLY  63   5.283  -2.268   7.312
  483    H    ARG  64           H        ARG  64   6.459  -4.058   6.024
  484    HA   ARG  64           HA       ARG  64   5.978  -3.991   3.115
  485    HB2  ARG  64           2HB      ARG  64   8.383  -3.614   2.640
  486    HB3  ARG  64           3HB      ARG  64   7.572  -2.218   3.321
  487    HG2  ARG  64           2HG      ARG  64   8.915  -2.118   5.103
  488    HG3  ARG  64           3HG      ARG  64   8.845  -3.846   5.418
  489    HD2  ARG  64           2HD      ARG  64  10.625  -4.337   3.928
  490    HD3  ARG  64           3HD      ARG  64  10.500  -2.776   3.112
  491    HE   ARG  64           HE       ARG  64  11.106  -2.326   5.846
  492   HH11  ARG  64          1HH1      ARG  64  12.690  -3.690   2.948
  493   HH12  ARG  64          2HH1      ARG  64  14.244  -3.046   3.354
  494   HH21  ARG  64          1HH2      ARG  64  13.208  -1.576   6.411
  495   HH22  ARG  64          2HH2      ARG  64  14.550  -1.876   5.379
  496    H    TYR  65           H        TYR  65   6.096  -5.918   5.697
  497    HA   TYR  65           HA       TYR  65   7.304  -8.118   4.102
  498    HB2  TYR  65           2HB      TYR  65   7.253  -7.829   7.126
  499    HB3  TYR  65           3HB      TYR  65   7.820  -9.235   6.239
  500    HD1  TYR  65           1HD      TYR  65   9.985  -9.222   5.081
  501    HD2  TYR  65           2HD      TYR  65   8.561  -5.711   7.139
  502    HE1  TYR  65           1HE      TYR  65  12.208  -8.178   4.814
  503    HE2  TYR  65           2HE      TYR  65  10.779  -4.633   6.836
  504    HH   TYR  65           HH       TYR  65  13.531  -6.313   5.241
  505    H    THR  66           H        THR  66   6.046 -10.155   4.211
  506    HA   THR  66           HA       THR  66   3.198  -9.730   4.507
  507    HB   THR  66           HB       THR  66   3.084 -12.209   4.227
  508    HG1  THR  66           1HG      THR  66   4.980 -13.301   3.726
  509   HG21  THR  66          3HG2      THR  66   3.092 -10.700   2.259
  510   HG22  THR  66          1HG2      THR  66   4.870 -10.849   2.163
  511   HG23  THR  66          2HG2      THR  66   3.830 -12.270   1.911
  512    H    ALA  67           H        ALA  67   1.937 -11.264   5.947
  513    HA   ALA  67           HA       ALA  67   2.547 -10.987   8.703
  514    HB1  ALA  67           3HB      ALA  67   0.742 -12.663   8.948
  515    HB2  ALA  67           1HB      ALA  67   0.292 -11.430   7.757
  516    HB3  ALA  67           2HB      ALA  67   0.856 -13.028   7.203
  517    H    ASP  68           H        ASP  68   3.236 -13.556   6.334
  518    HA   ASP  68           HA       ASP  68   4.387 -15.421   8.200
  519    HB2  ASP  68           2HB      ASP  68   3.495 -16.097   6.000
  520    HB3  ASP  68           3HB      ASP  68   4.780 -15.189   5.194
  521    H    GLY  69           H        GLY  69   5.753 -12.809   6.158
  522    HA2  GLY  69           2HA      GLY  69   7.452 -11.547   7.407
  523    HA3  GLY  69           3HA      GLY  69   8.320 -13.052   7.689
  524    H    LYS  70           H        LYS  70   7.141 -13.025   4.427
  525    HA   LYS  70           HA       LYS  70   9.855 -12.628   3.371
  526    HB2  LYS  70           2HB      LYS  70   7.091 -13.114   2.174
  527    HB3  LYS  70           3HB      LYS  70   8.436 -12.608   1.160
  528    HG2  LYS  70           2HG      LYS  70   8.072 -15.053   1.162
  529    HG3  LYS  70           3HG      LYS  70   9.709 -14.560   1.619
  530    HD2  LYS  70           2HD      LYS  70   9.280 -15.018   3.946
  531    HD3  LYS  70           3HD      LYS  70   7.552 -15.320   3.615
  532    HE2  LYS  70           2HE      LYS  70   8.146 -17.266   2.228
  533    HE3  LYS  70           3HE      LYS  70   9.869 -16.970   2.502
  534    HZ1  LYS  70           3HZ      LYS  70   7.921 -17.533   4.666
  535    HZ2  LYS  70           1HZ      LYS  70   8.886 -18.678   3.982
  536    HZ3  LYS  70           2HZ      LYS  70   9.550 -17.446   4.823
  537    H    GLU  71           H        GLU  71  10.519 -10.745   2.185
  538    HA   GLU  71           HA       GLU  71   9.155  -8.264   2.866
  539    HB2  GLU  71           2HB      GLU  71  11.623  -8.381   2.408
  540    HB3  GLU  71           3HB      GLU  71  11.249  -8.697   0.700
  541    HG2  GLU  71           2HG      GLU  71  10.050  -6.542   0.546
  542    HG3  GLU  71           3HG      GLU  71  10.242  -6.296   2.286
  543    H    VAL  72           H        VAL  72   7.538  -7.321   1.731
  544    HA   VAL  72           HA       VAL  72   5.902  -8.865   0.046
  545    HB   VAL  72           HB       VAL  72   6.036  -5.893   0.678
  546   HG11  VAL  72          1HG1      VAL  72   4.952  -5.845  -1.435
  547   HG12  VAL  72          2HG1      VAL  72   4.058  -7.338  -1.099
  548   HG13  VAL  72          3HG1      VAL  72   3.641  -5.835  -0.248
  549   HG21  VAL  72          3HG2      VAL  72   5.385  -7.485   2.492
  550   HG22  VAL  72          1HG2      VAL  72   4.067  -6.392   2.052
  551   HG23  VAL  72          2HG2      VAL  72   4.061  -8.078   1.484
  552    H    LEU  73           H        LEU  73   8.445  -6.505  -0.820
  553    HA   LEU  73           HA       LEU  73   7.820  -6.388  -3.605
  554    HB2  LEU  73           2HB      LEU  73  10.512  -6.070  -2.206
  555    HB3  LEU  73           3HB      LEU  73  10.174  -5.630  -3.877
  556    HG   LEU  73           HG       LEU  73   8.895  -4.361  -1.419
  557   HD11  LEU  73          1HD1      LEU  73  10.214  -2.380  -2.015
  558   HD12  LEU  73          2HD1      LEU  73  11.265  -3.770  -1.705
  559   HD13  LEU  73          3HD1      LEU  73  10.947  -3.257  -3.378
  560   HD21  LEU  73          3HD2      LEU  73   7.300  -4.249  -3.268
  561   HD22  LEU  73          1HD2      LEU  73   8.019  -2.656  -3.034
  562   HD23  LEU  73          2HD2      LEU  73   8.569  -3.679  -4.376
  563    H    GLU  74           H        GLU  74   9.788  -8.714  -1.699
  564    HA   GLU  74           HA       GLU  74  10.711 -10.120  -4.091
  565    HB2  GLU  74           2HB      GLU  74  10.754 -10.904  -1.139
  566    HB3  GLU  74           3HB      GLU  74  11.482 -11.826  -2.460
  567    HG2  GLU  74           2HG      GLU  74  12.880  -9.799  -3.025
  568    HG3  GLU  74           3HG      GLU  74  12.270  -9.024  -1.562
  569    H    TYR  75           H        TYR  75   8.158 -10.541  -1.592
  570    HA   TYR  75           HA       TYR  75   7.247 -13.069  -2.397
  571    HB2  TYR  75           2HB      TYR  75   6.574 -11.811  -0.311
  572    HB3  TYR  75           3HB      TYR  75   5.515 -10.812  -1.295
  573    HD1  TYR  75           1HD      TYR  75   6.125 -14.201   0.046
  574    HD2  TYR  75           2HD      TYR  75   3.373 -11.748  -2.207
  575    HE1  TYR  75           1HE      TYR  75   4.405 -15.963   0.232
  576    HE2  TYR  75           2HE      TYR  75   1.668 -13.512  -2.062
  577    HH   TYR  75           HH       TYR  75   1.161 -15.672  -1.288
  578    H    LEU  76           H        LEU  76   6.095  -9.824  -3.450
  579    HA   LEU  76           HA       LEU  76   4.246 -10.939  -5.410
  580    HB2  LEU  76           2HB      LEU  76   5.287  -8.118  -4.894
  581    HB3  LEU  76           3HB      LEU  76   4.044  -8.508  -6.077
  582    HG   LEU  76           HG       LEU  76   3.758  -9.022  -3.072
  583   HD11  LEU  76          1HD1      LEU  76   2.235  -7.079  -3.112
  584   HD12  LEU  76          2HD1      LEU  76   3.887  -6.634  -3.562
  585   HD13  LEU  76          3HD1      LEU  76   2.645  -6.785  -4.815
  586   HD21  LEU  76          3HD2      LEU  76   1.758  -9.213  -5.364
  587   HD22  LEU  76          1HD2      LEU  76   2.345 -10.548  -4.355
  588   HD23  LEU  76          2HD2      LEU  76   1.343  -9.284  -3.640
  589    H    GLY  77           H        GLY  77   7.612  -9.703  -5.455
  590    HA2  GLY  77           2HA      GLY  77   7.911  -9.416  -8.241
  591    HA3  GLY  77           3HA      GLY  77   9.193  -9.775  -7.070
  592    H    ASN  78           H        ASN  78   8.182 -12.327  -6.151
  593    HA   ASN  78           HA       ASN  78   9.109 -14.155  -8.150
  594    HB2  ASN  78           2HB      ASN  78   9.184 -14.656  -5.759
  595    HB3  ASN  78           3HB      ASN  78   7.424 -14.574  -5.650
  596   HD21  ASN  78          2HD2      ASN  78   8.395 -16.838  -4.666
  597   HD22  ASN  78          1HD2      ASN  78   8.206 -18.170  -5.777
  598    HA   PRO  79           HA       PRO  79   5.241 -13.807 -10.377
  599    HB2  PRO  79           2HB      PRO  79   5.677 -15.381 -12.562
  600    HB3  PRO  79           3HB      PRO  79   6.381 -13.752 -12.324
  601    HG2  PRO  79           2HG      PRO  79   7.662 -16.447 -11.718
  602    HG3  PRO  79           3HG      PRO  79   8.375 -15.069 -12.618
  603    HD2  PRO  79           2HD      PRO  79   8.892 -15.493  -9.973
  604    HD3  PRO  79           3HD      PRO  79   8.729 -13.840 -10.637
  605    H    ALA  80           H        ALA  80   6.336 -16.723  -8.870
  606    HA   ALA  80           HA       ALA  80   4.038 -18.351  -9.397
  607    HB1  ALA  80           3HB      ALA  80   6.113 -19.168  -8.277
  608    HB2  ALA  80           1HB      ALA  80   5.717 -18.164  -6.857
  609    HB3  ALA  80           2HB      ALA  80   4.653 -19.501  -7.326
  610    H    ASN  81           H        ASN  81   4.406 -15.345  -7.693
  611    HA   ASN  81           HA       ASN  81   1.668 -15.551  -6.531
  612    HB2  ASN  81           2HB      ASN  81   3.947 -13.813  -5.574
  613    HB3  ASN  81           3HB      ASN  81   2.388 -13.999  -4.797
  614   HD21  ASN  81          2HD2      ASN  81   5.359 -14.563  -4.091
  615   HD22  ASN  81          1HD2      ASN  81   5.286 -16.145  -3.317
  616    H    TYR  82           H        TYR  82   2.699 -14.610  -9.337
  617    HA   TYR  82           HA       TYR  82   2.199 -11.760  -9.326
  618    HB2  TYR  82           2HB      TYR  82   2.334 -13.871 -11.466
  619    HB3  TYR  82           3HB      TYR  82   1.452 -12.400 -11.803
  620    HD1  TYR  82           1HD      TYR  82   4.297 -11.623  -9.655
  621    HD2  TYR  82           2HD      TYR  82   3.100 -12.438 -13.730
  622    HE1  TYR  82           1HE      TYR  82   6.303 -10.483 -10.464
  623    HE2  TYR  82           2HE      TYR  82   5.126 -11.289 -14.549
  624    HH   TYR  82           HH       TYR  82   7.548  -9.822 -12.328
  625    HA   PRO  83           HA       PRO  83  -2.356 -12.715 -10.035
  626    HB2  PRO  83           2HB      PRO  83  -3.411 -15.229  -9.978
  627    HB3  PRO  83           3HB      PRO  83  -2.720 -14.485 -11.450
  628    HG2  PRO  83           2HG      PRO  83  -1.384 -16.433  -9.550
  629    HG3  PRO  83           3HG      PRO  83  -1.407 -16.462 -11.339
  630    HD2  PRO  83           2HD      PRO  83   0.683 -15.439  -9.906
  631    HD3  PRO  83           3HD      PRO  83   0.192 -14.763 -11.486
  632    H    VAL  84           H        VAL  84  -2.793 -11.770  -8.048
  633    HA   VAL  84           HA       VAL  84  -3.372 -13.528  -5.744
  634    HB   VAL  84           HB       VAL  84  -2.104 -11.950  -4.213
  635   HG11  VAL  84          1HG1      VAL  84   0.015 -13.087  -4.364
  636   HG12  VAL  84          2HG1      VAL  84  -1.309 -14.235  -4.683
  637   HG13  VAL  84          3HG1      VAL  84  -0.339 -13.610  -6.020
  638   HG21  VAL  84          3HG2      VAL  84  -0.289 -10.637  -4.982
  639   HG22  VAL  84          1HG2      VAL  84  -0.491 -11.167  -6.657
  640   HG23  VAL  84          2HG2      VAL  84  -1.715 -10.129  -5.898
  641    H    SER  85           H        SER  85  -4.318 -12.119  -3.910
  642    HA   SER  85           HA       SER  85  -5.914  -9.860  -5.049
  643    HB2  SER  85           2HB      SER  85  -6.457 -11.583  -2.601
  644    HB3  SER  85           3HB      SER  85  -7.471 -10.263  -3.217
  645    HG   SER  85           HG       SER  85  -8.208 -12.338  -3.890
  646    H    ILE  86           H        ILE  86  -5.745  -7.858  -3.915
  647    HA   ILE  86           HA       ILE  86  -3.875  -7.753  -1.616
  648    HB   ILE  86           HB       ILE  86  -3.556  -5.981  -4.069
  649   HG12  ILE  86          2HG1      ILE  86  -1.841  -8.349  -3.197
  650   HG13  ILE  86          3HG1      ILE  86  -2.824  -8.249  -4.658
  651   HG21  ILE  86          1HG2      ILE  86  -2.875  -4.874  -1.973
  652   HG22  ILE  86          2HG2      ILE  86  -1.818  -6.245  -1.587
  653   HG23  ILE  86          3HG2      ILE  86  -1.487  -5.193  -2.973
  654   HD11  ILE  86          3HD1      ILE  86  -0.595  -7.930  -5.334
  655   HD12  ILE  86          1HD1      ILE  86  -1.384  -6.345  -5.448
  656   HD13  ILE  86          2HD1      ILE  86  -0.281  -6.714  -4.092
  657    H    ARG  87           H        ARG  87  -4.225  -5.950  -0.312
  658    HA   ARG  87           HA       ARG  87  -6.626  -4.274  -0.892
  659    HB2  ARG  87           2HB      ARG  87  -5.700  -5.099   1.901
  660    HB3  ARG  87           3HB      ARG  87  -7.154  -4.209   1.452
  661    HG2  ARG  87           2HG      ARG  87  -7.904  -6.280   0.200
  662    HG3  ARG  87           3HG      ARG  87  -6.554  -7.156   0.932
  663    HD2  ARG  87           2HD      ARG  87  -7.443  -6.584   3.191
  664    HD3  ARG  87           3HD      ARG  87  -8.772  -5.696   2.411
  665    HE   ARG  87           HE       ARG  87  -8.703  -8.371   1.396
  666   HH11  ARG  87          1HH1      ARG  87  -9.665  -6.587   4.325
  667   HH12  ARG  87          2HH1      ARG  87 -10.950  -7.711   4.688
  668   HH21  ARG  87          1HH2      ARG  87 -10.253  -9.752   1.865
  669   HH22  ARG  87          2HH2      ARG  87 -11.144  -9.710   3.387
  670    H    PHE  88           H        PHE  88  -6.232  -2.118  -0.562
  671    HA   PHE  88           HA       PHE  88  -3.509  -1.267   0.286
  672    HB2  PHE  88           2HB      PHE  88  -5.209  -0.298  -2.055
  673    HB3  PHE  88           3HB      PHE  88  -3.868   0.616  -1.399
  674    HD1  PHE  88           1HD      PHE  88  -4.759  -2.439  -3.326
  675    HD2  PHE  88           2HD      PHE  88  -1.566   0.009  -1.769
  676    HE1  PHE  88           1HE      PHE  88  -3.140  -3.583  -4.822
  677    HE2  PHE  88           2HE      PHE  88   0.038  -1.147  -3.250
  678    HZ   PHE  88           HZ       PHE  88  -0.744  -2.943  -4.791
  679    H    GLY  89           H        GLY  89  -3.548   1.011   1.115
  680    HA2  GLY  89           2HA      GLY  89  -6.040   2.297   1.788
  681    HA3  GLY  89           3HA      GLY  89  -5.409   1.342   3.143
  682    H    ARG  90           H        ARG  90  -5.457   3.676   3.955
  683    HA   ARG  90           HA       ARG  90  -3.391   5.497   3.083
  684    HB2  ARG  90           2HB      ARG  90  -4.688   5.280   5.818
  685    HB3  ARG  90           3HB      ARG  90  -3.827   6.678   5.165
  686    HG2  ARG  90           2HG      ARG  90  -6.516   5.574   4.277
  687    HG3  ARG  90           3HG      ARG  90  -6.229   7.044   5.193
  688    HD2  ARG  90           2HD      ARG  90  -5.041   8.012   3.220
  689    HD3  ARG  90           3HD      ARG  90  -5.423   6.539   2.306
  690    HE   ARG  90           HE       ARG  90  -7.270   8.675   3.204
  691   HH11  ARG  90          1HH1      ARG  90  -6.933   5.757   1.288
  692   HH12  ARG  90          2HH1      ARG  90  -8.628   5.411   1.164
  693   HH21  ARG  90          1HH2      ARG  90  -9.557   8.406   2.836
  694   HH22  ARG  90          2HH2      ARG  90 -10.134   7.037   1.960
  695    HA   PRO  91           HA       PRO  91   0.155   3.431   4.974
  696    HB2  PRO  91           2HB      PRO  91   1.054   6.249   5.592
  697    HB3  PRO  91           3HB      PRO  91   1.979   4.915   4.831
  698    HG2  PRO  91           2HG      PRO  91   0.978   6.920   3.330
  699    HG3  PRO  91           3HG      PRO  91   0.850   5.227   2.754
  700    HD2  PRO  91           2HD      PRO  91  -1.271   6.903   4.113
  701    HD3  PRO  91           3HD      PRO  91  -1.397   5.835   2.679
  702    H    ARG  92           H        ARG  92   1.712   4.106   7.075
  703    HA   ARG  92           HA       ARG  92   0.287   3.371   9.382
  704    HB2  ARG  92           2HB      ARG  92   2.749   3.191   8.997
  705    HB3  ARG  92           3HB      ARG  92   2.894   4.945   9.191
  706    HG2  ARG  92           2HG      ARG  92   2.176   4.758  11.540
  707    HG3  ARG  92           3HG      ARG  92   1.837   3.034  11.322
  708    HD2  ARG  92           2HD      ARG  92   3.951   3.269  12.459
  709    HD3  ARG  92           3HD      ARG  92   4.251   2.617  10.856
  710    HE   ARG  92           HE       ARG  92   4.870   5.328  11.892
  711   HH11  ARG  92          1HH1      ARG  92   5.231   3.052   9.180
  712   HH12  ARG  92          2HH1      ARG  92   6.325   4.056   8.291
  713   HH21  ARG  92          1HH2      ARG  92   6.370   6.616  10.767
  714   HH22  ARG  92          2HH2      ARG  92   6.927   6.155   9.190
  715    H    LEU  93           H        LEU  93   0.976   6.589   8.086
  716    HA   LEU  93           HA       LEU  93  -0.667   7.889  10.210
  717    HB2  LEU  93           2HB      LEU  93   1.144   8.964   7.995
  718    HB3  LEU  93           3HB      LEU  93  -0.044   9.966   8.795
  719    HG   LEU  93           HG       LEU  93   2.149  10.357   9.702
  720   HD11  LEU  93          1HD1      LEU  93   0.448   8.956  11.807
  721   HD12  LEU  93          2HD1      LEU  93   1.654  10.228  12.063
  722   HD13  LEU  93          3HD1      LEU  93   0.165  10.597  11.183
  723   HD21  LEU  93          3HD2      LEU  93   3.136   8.090   9.363
  724   HD22  LEU  93          1HD2      LEU  93   3.435   8.768  10.970
  725   HD23  LEU  93          2HD2      LEU  93   2.209   7.506  10.765
  726    H    THR  94           H        THR  94  -2.789   8.367   9.701
  727    HA   THR  94           HA       THR  94  -3.900   7.258   7.339
  728    HB   THR  94           HB       THR  94  -5.193   9.151   9.334
  729    HG1  THR  94           1HG      THR  94  -5.352   7.463  10.650
  730   HG21  THR  94          3HG2      THR  94  -7.231   7.795   8.877
  731   HG22  THR  94          1HG2      THR  94  -6.666   8.612   7.413
  732   HG23  THR  94          2HG2      THR  94  -6.341   6.878   7.641
  733    H    SER  95           H        SER  95  -2.654  10.492   7.980
  734    HA   SER  95           HA       SER  95  -3.940  11.831   5.773
  735    HB2  SER  95           2HB      SER  95  -1.724  13.261   6.142
  736    HB3  SER  95           3HB      SER  95  -3.081  13.334   7.271
  737    HG   SER  95           HG       SER  95  -1.079  13.081   8.343
  738    H    ASN  96           H        ASN  96  -3.284  11.894   3.607
  739    HA   ASN  96           HA       ASN  96  -0.760  10.659   2.788
  740    HB2  ASN  96           2HB      ASN  96  -2.458   8.756   2.922
  741    HB3  ASN  96           3HB      ASN  96  -3.417   9.610   1.703
  742   HD21  ASN  96          2HD2      ASN  96  -0.006   8.590   2.296
  743   HD22  ASN  96          1HD2      ASN  96   0.242   7.915   0.704
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   4.935  29.238  -5.386
    2    H2   MET   1           H2       MET   1   5.638  30.719  -5.272
    3    H3   MET   1           H3       MET   1   6.072  29.682  -6.470
    4    HA   MET   1           HA       MET   1   7.781  29.694  -4.830
    5    HB2  MET   1           2HB      MET   1   5.514  28.959  -2.920
    6    HB3  MET   1           3HB      MET   1   7.215  28.680  -2.568
    7    HG2  MET   1           2HG      MET   1   6.626  30.689  -1.496
    8    HG3  MET   1           3HG      MET   1   7.684  31.104  -2.837
    9    HE1  MET   1           3HE      MET   1   5.402  34.269  -2.432
   10    HE2  MET   1           1HE      MET   1   6.006  33.206  -1.141
   11    HE3  MET   1           2HE      MET   1   7.068  33.650  -2.498
   12    H    GLY   2           H        GLY   2   9.059  27.832  -4.675
   13    HA2  GLY   2           2HA      GLY   2   7.946  25.151  -4.823
   14    HA3  GLY   2           3HA      GLY   2   8.633  25.720  -6.362
   15    H    HIS   3           H        HIS   3   9.562  26.231  -2.933
   16    HA   HIS   3           HA       HIS   3  12.361  26.169  -3.443
   17    HB2  HIS   3           2HB      HIS   3  10.921  25.713  -0.801
   18    HB3  HIS   3           3HB      HIS   3  12.587  26.245  -1.018
   19    HD1  HIS   3           1HD      HIS   3   9.453  27.749  -0.101
   20    HD2  HIS   3           2HD      HIS   3  12.557  28.701  -2.786
   21    HE1  HIS   3           1HE      HIS   3   9.254  30.243  -0.570
   22    H    HIS   4           H        HIS   4  10.067  23.601  -2.777
   23    HA   HIS   4           HA       HIS   4  12.022  21.590  -3.456
   24    HB2  HIS   4           2HB      HIS   4  11.610  20.151  -1.534
   25    HB3  HIS   4           3HB      HIS   4  12.294  21.668  -0.983
   26    HD1  HIS   4           1HD      HIS   4  10.598  23.280   0.464
   27    HD2  HIS   4           2HD      HIS   4   9.121  19.524  -0.734
   28    HE1  HIS   4           1HE      HIS   4   8.463  22.893   1.793
   29    H    HIS   5           H        HIS   5  10.685  19.400  -3.552
   30    HA   HIS   5           HA       HIS   5   7.790  19.764  -3.858
   31    HB2  HIS   5           2HB      HIS   5   8.668  20.179  -6.140
   32    HB3  HIS   5           3HB      HIS   5   9.583  18.671  -6.076
   33    HD1  HIS   5           1HD      HIS   5   5.922  19.894  -6.327
   34    HD2  HIS   5           2HD      HIS   5   8.274  16.411  -6.603
   35    HE1  HIS   5           1HE      HIS   5   4.389  18.061  -7.209
   36    H    HIS   6           H        HIS   6   6.735  17.881  -3.275
   37    HA   HIS   6           HA       HIS   6   8.184  15.355  -2.844
   38    HB2  HIS   6           2HB      HIS   6   6.555  16.832  -0.713
   39    HB3  HIS   6           3HB      HIS   6   7.026  15.145  -0.612
   40    HD1  HIS   6           1HD      HIS   6  10.121  16.576  -1.776
   41    HD2  HIS   6           2HD      HIS   6   7.889  16.704   1.789
   42    HE1  HIS   6           1HE      HIS   6  11.772  17.147   0.082
   43    H    HIS   7           H        HIS   7   6.587  13.579  -2.759
   44    HA   HIS   7           HA       HIS   7   4.255  13.925  -4.372
   45    HB2  HIS   7           2HB      HIS   7   5.345  11.732  -4.072
   46    HB3  HIS   7           3HB      HIS   7   4.916  11.736  -2.355
   47    HD1  HIS   7           1HD      HIS   7   3.063  11.811  -5.789
   48    HD2  HIS   7           2HD      HIS   7   2.535  10.794  -1.735
   49    HE1  HIS   7           1HE      HIS   7   0.734  10.814  -5.596
   50    H    HIS   8           H        HIS   8   2.298  14.752  -3.844
   51    HA   HIS   8           HA       HIS   8   2.063  16.128  -1.335
   52    HB2  HIS   8           2HB      HIS   8   0.124  15.736  -3.650
   53    HB3  HIS   8           3HB      HIS   8  -0.189  16.757  -2.253
   54    HD1  HIS   8           1HD      HIS   8   3.408  17.091  -3.485
   55    HD2  HIS   8           2HD      HIS   8  -0.413  18.779  -4.102
   56    HE1  HIS   8           1HE      HIS   8   3.781  19.309  -4.646
   57    H    LEU   9           H        LEU   9   1.259  15.413   0.511
   58    HA   LEU   9           HA       LEU   9   0.033  12.884   0.986
   59    HB2  LEU   9           2HB      LEU   9   1.222  14.281   2.676
   60    HB3  LEU   9           3HB      LEU   9  -0.049  15.501   2.557
   61    HG   LEU   9           HG       LEU   9  -1.694  13.901   3.479
   62   HD11  LEU   9          1HD1      LEU   9  -0.759  11.734   2.758
   63   HD12  LEU   9          2HD1      LEU   9   0.695  12.011   3.737
   64   HD13  LEU   9          3HD1      LEU   9  -0.881  11.768   4.515
   65   HD21  LEU   9          3HD2      LEU   9  -0.753  13.856   5.784
   66   HD22  LEU   9          1HD2      LEU   9   0.858  14.203   5.127
   67   HD23  LEU   9          2HD2      LEU   9  -0.446  15.399   4.976
   68    H    ASP  10           H        ASP  10  -2.239  12.352   1.180
   69    HA   ASP  10           HA       ASP  10  -3.707  13.620  -0.820
   70    HB2  ASP  10           2HB      ASP  10  -4.085  11.259  -0.171
   71    HB3  ASP  10           3HB      ASP  10  -4.910  11.816   1.299
   72    H    SER  11           H        SER  11  -5.156  15.097  -1.033
   73    HA   SER  11           HA       SER  11  -6.166  16.625   1.247
   74    HB2  SER  11           2HB      SER  11  -6.096  18.353  -0.653
   75    HB3  SER  11           3HB      SER  11  -4.537  17.710  -0.049
   76    HG   SER  11           HG       SER  11  -4.572  17.779  -2.310
   77    H    TYR  12           H        TYR  12  -7.170  14.689  -1.500
   78    HA   TYR  12           HA       TYR  12  -9.981  15.323  -0.941
   79    HB2  TYR  12           2HB      TYR  12 -10.561  16.197  -3.076
   80    HB3  TYR  12           3HB      TYR  12  -9.221  17.154  -2.498
   81    HD1  TYR  12           1HD      TYR  12  -6.965  16.943  -3.558
   82    HD2  TYR  12           2HD      TYR  12 -10.373  14.769  -5.058
   83    HE1  TYR  12           1HE      TYR  12  -5.721  16.444  -5.638
   84    HE2  TYR  12           2HE      TYR  12  -9.146  14.266  -7.143
   85    HH   TYR  12           HH       TYR  12  -7.151  14.522  -8.325
   86    H    ALA  13           H        ALA  13  -7.697  12.968  -2.174
   87    HA   ALA  13           HA       ALA  13  -9.315  11.882  -4.238
   88    HB1  ALA  13           3HB      ALA  13  -6.892  11.461  -4.040
   89    HB2  ALA  13           1HB      ALA  13  -7.186  10.527  -2.550
   90    HB3  ALA  13           2HB      ALA  13  -7.803   9.937  -4.104
   91    HA   PRO  14           HA       PRO  14 -12.307   9.620  -1.816
   92    HB2  PRO  14           2HB      PRO  14 -13.201   7.748  -3.610
   93    HB3  PRO  14           3HB      PRO  14 -13.546   9.496  -3.770
   94    HG2  PRO  14           2HG      PRO  14 -11.342   7.903  -5.121
   95    HG3  PRO  14           3HG      PRO  14 -12.510   9.036  -5.877
   96    HD2  PRO  14           2HD      PRO  14  -9.995   9.812  -5.175
   97    HD3  PRO  14           3HD      PRO  14 -11.388  10.920  -4.999
   98    H    ARG  15           H        ARG  15 -12.838   7.443  -1.078
   99    HA   ARG  15           HA       ARG  15 -12.459   5.598   0.063
  100    HB2  ARG  15           2HB      ARG  15 -10.686   4.887  -2.294
  101    HB3  ARG  15           3HB      ARG  15 -11.096   3.797  -0.978
  102    HG2  ARG  15           2HG      ARG  15 -13.601   4.423  -1.536
  103    HG3  ARG  15           3HG      ARG  15 -12.936   5.015  -3.063
  104    HD2  ARG  15           2HD      ARG  15 -13.720   2.748  -3.355
  105    HD3  ARG  15           3HD      ARG  15 -11.955   2.735  -3.459
  106    HE   ARG  15           HE       ARG  15 -11.978   2.058  -1.012
  107   HH11  ARG  15          1HH2      ARG  15 -14.687   1.075  -3.103
  108   HH12  ARG  15          2HH2      ARG  15 -15.165  -0.216  -2.064
  109   HH21  ARG  15          1HH1      ARG  15 -12.592   0.472   0.319
  110   HH22  ARG  15          2HH1      ARG  15 -13.927  -0.590  -0.038
  111    H    ALA  16           H        ALA  16 -11.647   5.727   1.987
  112    HA   ALA  16           HA       ALA  16  -8.982   6.466   2.677
  113    HB1  ALA  16           3HB      ALA  16  -9.557   5.484   4.879
  114    HB2  ALA  16           1HB      ALA  16 -10.833   6.570   4.288
  115    HB3  ALA  16           2HB      ALA  16 -11.041   4.802   4.192
  116    H    GLU  17           H        GLU  17 -10.488   3.364   1.818
  117    HA   GLU  17           HA       GLU  17  -7.908   2.201   1.280
  118    HB2  GLU  17           2HB      GLU  17  -8.244   0.186   2.681
  119    HB3  GLU  17           3HB      GLU  17  -8.017   1.639   3.648
  120    HG2  GLU  17           2HG      GLU  17 -10.461   1.768   4.057
  121    HG3  GLU  17           3HG      GLU  17 -10.708   0.331   3.057
  122    H    ALA  18           H        ALA  18  -8.149   0.150   0.112
  123    HA   ALA  18           HA       ALA  18 -10.782  -0.611  -0.904
  124    HB1  ALA  18           3HB      ALA  18 -10.164  -0.217  -3.257
  125    HB2  ALA  18           1HB      ALA  18 -10.094   1.320  -2.378
  126    HB3  ALA  18           2HB      ALA  18  -8.598   0.452  -2.758
  127    H    GLU  19           H        GLU  19 -10.400  -2.481  -2.537
  128    HA   GLU  19           HA       GLU  19  -7.934  -4.004  -2.051
  129    HB2  GLU  19           2HB      GLU  19  -9.673  -4.589  -0.274
  130    HB3  GLU  19           3HB      GLU  19 -10.720  -5.163  -1.567
  131    HG2  GLU  19           2HG      GLU  19  -9.016  -6.834  -2.223
  132    HG3  GLU  19           3HG      GLU  19  -7.918  -6.221  -0.983
  133    H    LYS  20           H        LYS  20  -7.396  -5.218  -3.885
  134    HA   LYS  20           HA       LYS  20  -9.327  -5.655  -6.032
  135    HB2  LYS  20           2HB      LYS  20  -8.646  -3.214  -6.187
  136    HB3  LYS  20           3HB      LYS  20  -6.987  -3.732  -6.457
  137    HG2  LYS  20           2HG      LYS  20  -7.576  -4.722  -8.588
  138    HG3  LYS  20           3HG      LYS  20  -9.313  -4.602  -8.228
  139    HD2  LYS  20           2HD      LYS  20  -9.151  -2.131  -8.267
  140    HD3  LYS  20           3HD      LYS  20  -7.416  -2.248  -8.637
  141    HE2  LYS  20           2HE      LYS  20  -7.939  -3.476 -10.723
  142    HE3  LYS  20           3HE      LYS  20  -9.669  -3.401 -10.350
  143    HZ1  LYS  20           3HZ      LYS  20  -7.910  -1.064 -10.821
  144    HZ2  LYS  20           1HZ      LYS  20  -8.982  -1.671 -11.902
  145    HZ3  LYS  20           2HZ      LYS  20  -9.530  -0.987 -10.520
  146    H    THR  21           H        THR  21  -8.136  -6.744  -7.928
  147    HA   THR  21           HA       THR  21  -5.755  -8.248  -7.012
  148    HB   THR  21           HB       THR  21  -8.246  -9.363  -8.356
  149    HG1  THR  21           1HG      THR  21  -8.579  -9.135  -6.198
  150   HG21  THR  21          3HG2      THR  21  -6.284 -10.580  -9.194
  151   HG22  THR  21          1HG2      THR  21  -5.675 -10.789  -7.539
  152   HG23  THR  21          2HG2      THR  21  -7.179 -11.583  -8.046
  153    H    PHE  22           H        PHE  22  -4.291  -8.746  -8.549
  154    HA   PHE  22           HA       PHE  22  -4.478  -7.540 -11.243
  155    HB2  PHE  22           2HB      PHE  22  -2.150  -7.057  -9.347
  156    HB3  PHE  22           3HB      PHE  22  -2.458  -6.291 -10.890
  157    HD1  PHE  22           2HD      PHE  22  -3.259  -6.327  -7.287
  158    HD2  PHE  22           1HD      PHE  22  -4.044  -4.389 -11.064
  159    HE1  PHE  22           2HE      PHE  22  -4.231  -4.383  -6.090
  160    HE2  PHE  22           1HE      PHE  22  -5.002  -2.443  -9.858
  161    HZ   PHE  22           HZ       PHE  22  -5.077  -2.425  -7.373
  162    H    SER  23           H        SER  23  -2.056  -8.106 -12.221
  163    HA   SER  23           HA       SER  23  -0.852 -10.453 -11.042
  164    HB2  SER  23           2HB      SER  23  -1.958 -10.630 -13.883
  165    HB3  SER  23           3HB      SER  23  -0.971 -11.847 -13.051
  166    HG   SER  23           HG       SER  23  -3.115 -11.192 -11.555
  167    H    TYR  24           H        TYR  24   1.208 -10.905 -12.061
  168    HA   TYR  24           HA       TYR  24   2.485  -8.522 -13.236
  169    HB2  TYR  24           2HB      TYR  24   3.371 -11.266 -12.315
  170    HB3  TYR  24           3HB      TYR  24   4.400 -10.295 -13.357
  171    HD1  TYR  24           2HD      TYR  24   2.309  -9.236 -10.350
  172    HD2  TYR  24           1HD      TYR  24   6.244  -9.758 -12.061
  173    HE1  TYR  24           2HE      TYR  24   3.276  -8.071  -8.425
  174    HE2  TYR  24           1HE      TYR  24   7.227  -8.541 -10.144
  175    HH   TYR  24           HH       TYR  24   5.246  -7.141  -7.507
  176    HA   PRO  25           HA       PRO  25   4.158  -8.173 -14.732
  177    HB2  PRO  25           2HB      PRO  25   4.829  -7.318 -17.197
  178    HB3  PRO  25           3HB      PRO  25   5.380  -8.914 -16.606
  179    HG2  PRO  25           2HG      PRO  25   2.985  -8.319 -18.382
  180    HG3  PRO  25           3HG      PRO  25   4.285  -9.523 -18.650
  181    HD2  PRO  25           2HD      PRO  25   1.861 -10.143 -17.475
  182    HD3  PRO  25           3HD      PRO  25   3.379 -10.990 -17.068
  183    H    LEU  26           H        LEU  26   0.964  -8.178 -15.822
  184    HA   LEU  26           HA       LEU  26   0.533  -5.758 -17.089
  185    HB2  LEU  26           2HB      LEU  26  -1.121  -7.572 -16.916
  186    HB3  LEU  26           3HB      LEU  26  -1.303  -7.267 -15.188
  187    HG   LEU  26           HG       LEU  26  -2.237  -5.019 -15.656
  188   HD11  LEU  26          1HD1      LEU  26  -2.940  -4.452 -17.982
  189   HD12  LEU  26          2HD1      LEU  26  -1.185  -4.484 -17.817
  190   HD13  LEU  26          3HD1      LEU  26  -2.023  -5.848 -18.590
  191   HD21  LEU  26          3HD2      LEU  26  -3.715  -6.969 -15.401
  192   HD22  LEU  26          1HD2      LEU  26  -4.392  -5.796 -16.539
  193   HD23  LEU  26          2HD2      LEU  26  -3.627  -7.282 -17.147
  194    H    ASP  27           H        ASP  27   0.700  -6.371 -13.540
  195    HA   ASP  27           HA       ASP  27   1.443  -3.544 -13.259
  196    HB2  ASP  27           2HB      ASP  27  -0.937  -3.434 -12.707
  197    HB3  ASP  27           3HB      ASP  27  -0.756  -4.774 -11.564
  198    H    LEU  28           H        LEU  28   2.807  -3.188 -11.682
  199    HA   LEU  28           HA       LEU  28   3.541  -4.925  -9.555
  200    HB2  LEU  28           2HB      LEU  28   5.740  -5.536 -10.150
  201    HB3  LEU  28           3HB      LEU  28   4.707  -6.094 -11.449
  202    HG   LEU  28           HG       LEU  28   6.606  -3.694 -11.504
  203   HD11  LEU  28          1HD1      LEU  28   6.657  -6.364 -12.966
  204   HD12  LEU  28          2HD1      LEU  28   7.854  -5.056 -13.113
  205   HD13  LEU  28          3HD1      LEU  28   7.671  -5.915 -11.578
  206   HD21  LEU  28          3HD2      LEU  28   4.763  -3.095 -12.972
  207   HD22  LEU  28          1HD2      LEU  28   6.128  -3.598 -13.958
  208   HD23  LEU  28          2HD2      LEU  28   4.768  -4.716 -13.710
  209    H    LEU  29           H        LEU  29   2.801  -2.021 -10.461
  210    HA   LEU  29           HA       LEU  29   5.254  -0.489 -10.025
  211    HB2  LEU  29           2HB      LEU  29   2.408   0.405 -10.618
  212    HB3  LEU  29           3HB      LEU  29   3.837   1.437 -10.606
  213    HG   LEU  29           HG       LEU  29   3.324  -0.874 -12.535
  214   HD11  LEU  29          1HD1      LEU  29   3.049   0.840 -14.232
  215   HD12  LEU  29          2HD1      LEU  29   1.907   1.126 -12.911
  216   HD13  LEU  29          3HD1      LEU  29   3.377   2.124 -13.051
  217   HD21  LEU  29          3HD2      LEU  29   5.651   1.094 -12.420
  218   HD22  LEU  29          1HD2      LEU  29   5.736  -0.669 -12.191
  219   HD23  LEU  29          2HD2      LEU  29   5.309  -0.012 -13.769
  220    H    LEU  30           H        LEU  30   5.435  -1.444  -7.819
  221    HA   LEU  30           HA       LEU  30   4.352   0.521  -5.899
  222    HB2  LEU  30           2HB      LEU  30   4.541  -2.461  -5.282
  223    HB3  LEU  30           3HB      LEU  30   4.166  -1.164  -4.165
  224    HG   LEU  30           HG       LEU  30   2.197  -0.728  -6.016
  225   HD11  LEU  30          1HD1      LEU  30   1.194  -2.873  -6.638
  226   HD12  LEU  30          2HD1      LEU  30   2.816  -2.752  -7.329
  227   HD13  LEU  30          3HD1      LEU  30   2.543  -3.757  -5.891
  228   HD21  LEU  30          3HD2      LEU  30   0.673  -1.864  -4.447
  229   HD22  LEU  30          1HD2      LEU  30   2.069  -2.608  -3.633
  230   HD23  LEU  30          2HD2      LEU  30   1.849  -0.840  -3.619
  231    H    LYS  31           H        LYS  31   5.821   0.809  -4.037
  232    HA   LYS  31           HA       LYS  31   8.519  -0.349  -4.381
  233    HB2  LYS  31           2HB      LYS  31   9.705   1.607  -4.519
  234    HB3  LYS  31           3HB      LYS  31   8.378   1.904  -5.619
  235    HG2  LYS  31           2HG      LYS  31   8.696   3.020  -2.791
  236    HG3  LYS  31           3HG      LYS  31   8.987   3.870  -4.301
  237    HD2  LYS  31           2HD      LYS  31   6.569   3.676  -4.881
  238    HD3  LYS  31           3HD      LYS  31   6.284   2.839  -3.354
  239    HE2  LYS  31           2HE      LYS  31   5.626   5.139  -3.088
  240    HE3  LYS  31           3HE      LYS  31   7.045   4.830  -2.090
  241    HZ1  LYS  31           3HZ      LYS  31   7.216   6.930  -3.285
  242    HZ2  LYS  31           1HZ      LYS  31   8.397   5.935  -3.794
  243    HZ3  LYS  31           2HZ      LYS  31   7.081   6.197  -4.730
  244    H    LEU  32           H        LEU  32   9.832  -0.227  -2.459
  245    HA   LEU  32           HA       LEU  32   8.226  -0.375  -0.005
  246    HB2  LEU  32           2HB      LEU  32  10.184  -1.927  -0.818
  247    HB3  LEU  32           3HB      LEU  32  11.237  -0.692  -0.134
  248    HG   LEU  32           HG       LEU  32   9.027  -2.104   1.424
  249   HD11  LEU  32          1HD1      LEU  32  11.984  -2.825   1.197
  250   HD12  LEU  32          2HD1      LEU  32  10.806  -3.608   2.265
  251   HD13  LEU  32          3HD1      LEU  32  10.628  -3.753   0.525
  252   HD21  LEU  32          3HD2      LEU  32   9.802  -0.038   2.522
  253   HD22  LEU  32          1HD2      LEU  32  10.396  -1.440   3.397
  254   HD23  LEU  32          2HD2      LEU  32  11.497  -0.543   2.336
  255    H    HIS  33           H        HIS  33   8.052   1.373   1.373
  256    HA   HIS  33           HA       HIS  33  10.069   3.480   1.487
  257    HB2  HIS  33           2HB      HIS  33   8.728   4.151  -0.500
  258    HB3  HIS  33           3HB      HIS  33   7.246   4.023   0.445
  259    HD1  HIS  33           1HD      HIS  33  10.392   6.262   0.165
  260    HD2  HIS  33           2HD      HIS  33   6.603   6.094   2.002
  261    HE1  HIS  33           1HE      HIS  33   9.987   8.558   1.183
  262    H    ASP  34           H        ASP  34   9.891   4.561   3.461
  263    HA   ASP  34           HA       ASP  34   9.487   4.702   5.665
  264    HB2  ASP  34           2HB      ASP  34   7.873   6.266   4.669
  265    HB3  ASP  34           3HB      ASP  34   6.629   5.014   4.704
  266    H    GLU  35           H        GLU  35   9.867   2.108   5.027
  267    HA   GLU  35           HA       GLU  35   9.606  -0.034   5.571
  268    HB2  GLU  35           2HB      GLU  35   8.541   1.113   8.190
  269    HB3  GLU  35           3HB      GLU  35   9.144  -0.524   7.973
  270    HG2  GLU  35           2HG      GLU  35  10.870   1.958   7.566
  271    HG3  GLU  35           3HG      GLU  35  10.724   1.077   9.078
  272    H    ARG  36           H        ARG  36   7.313   1.200   4.219
  273    HA   ARG  36           HA       ARG  36   5.408  -1.047   4.546
  274    HB2  ARG  36           2HB      ARG  36   4.936   1.947   4.176
  275    HB3  ARG  36           3HB      ARG  36   3.785   0.819   3.489
  276    HG2  ARG  36           2HG      ARG  36   4.530   0.686   6.425
  277    HG3  ARG  36           3HG      ARG  36   3.269   1.771   5.813
  278    HD2  ARG  36           2HD      ARG  36   1.984  -0.074   4.911
  279    HD3  ARG  36           3HD      ARG  36   3.287  -1.216   5.271
  280    HE   ARG  36           HE       ARG  36   2.488   0.095   7.675
  281   HH11  ARG  36          1HH1      ARG  36   0.975  -2.170   5.374
  282   HH12  ARG  36          2HH1      ARG  36   0.671  -3.373   6.604
  283   HH21  ARG  36          1HH2      ARG  36   1.653  -1.333   9.305
  284   HH22  ARG  36          2HH2      ARG  36   0.746  -2.726   8.849
  285    H    VAL  37           H        VAL  37   4.120  -0.854   2.204
  286    HA   VAL  37           HA       VAL  37   6.072  -0.239   0.092
  287    HB   VAL  37           HB       VAL  37   6.199  -2.630   0.338
  288   HG11  VAL  37          1HG1      VAL  37   4.028  -3.149   1.405
  289   HG12  VAL  37          2HG1      VAL  37   3.208  -2.727  -0.125
  290   HG13  VAL  37          3HG1      VAL  37   4.268  -4.131  -0.049
  291   HG21  VAL  37          3HG2      VAL  37   4.553  -1.925  -2.110
  292   HG22  VAL  37          1HG2      VAL  37   6.317  -1.749  -1.945
  293   HG23  VAL  37          2HG2      VAL  37   5.584  -3.355  -1.919
  294    H    LEU  38           H        LEU  38   5.154   0.997  -1.459
  295    HA   LEU  38           HA       LEU  38   2.344   1.867  -0.938
  296    HB2  LEU  38           2HB      LEU  38   4.923   3.388  -1.339
  297    HB3  LEU  38           3HB      LEU  38   3.429   4.070  -1.965
  298    HG   LEU  38           HG       LEU  38   2.415   4.079   0.260
  299   HD11  LEU  38          1HD1      LEU  38   3.514   2.260   1.408
  300   HD12  LEU  38          2HD1      LEU  38   5.110   3.020   1.222
  301   HD13  LEU  38          3HD1      LEU  38   3.878   3.747   2.276
  302   HD21  LEU  38          3HD2      LEU  38   5.153   5.415   0.089
  303   HD22  LEU  38          1HD2      LEU  38   3.632   6.045  -0.572
  304   HD23  LEU  38          2HD2      LEU  38   3.828   5.897   1.177
  305    H    VAL  39           H        VAL  39   1.127   2.415  -2.707
  306    HA   VAL  39           HA       VAL  39   1.624   1.268  -5.273
  307    HB   VAL  39           HB       VAL  39  -0.304   3.436  -4.322
  308   HG11  VAL  39          1HG1      VAL  39  -0.386   1.799  -6.897
  309   HG12  VAL  39          2HG1      VAL  39  -1.646   2.914  -6.322
  310   HG13  VAL  39          3HG1      VAL  39  -0.065   3.544  -6.783
  311   HG21  VAL  39          3HG2      VAL  39  -1.978   1.607  -4.312
  312   HG22  VAL  39          1HG2      VAL  39  -0.717   0.440  -4.760
  313   HG23  VAL  39          2HG2      VAL  39  -0.667   1.259  -3.187
  314    H    ALA  40           H        ALA  40   3.224   1.964  -6.644
  315    HA   ALA  40           HA       ALA  40   4.483   4.575  -6.242
  316    HB1  ALA  40           3HB      ALA  40   6.132   3.784  -7.833
  317    HB2  ALA  40           1HB      ALA  40   5.795   2.456  -6.707
  318    HB3  ALA  40           2HB      ALA  40   5.095   2.446  -8.342
  319    H    PHE  41           H        PHE  41   2.288   3.019  -8.535
  320    HA   PHE  41           HA       PHE  41   1.401   5.599  -9.454
  321    HB2  PHE  41           2HB      PHE  41   3.228   5.206 -11.089
  322    HB3  PHE  41           3HB      PHE  41   2.550   3.628 -11.470
  323    HD1  PHE  41           2HD      PHE  41   1.548   7.272 -11.354
  324    HD2  PHE  41           1HD      PHE  41   1.103   3.465 -13.342
  325    HE1  PHE  41           2HE      PHE  41   0.053   8.318 -13.038
  326    HE2  PHE  41           1HE      PHE  41  -0.357   4.522 -15.035
  327    HZ   PHE  41           HZ       PHE  41  -0.902   6.949 -14.882
  328    H    GLY  42           H        GLY  42  -0.698   5.300 -10.617
  329    HA2  GLY  42           2HA      GLY  42  -1.935   2.771 -10.959
  330    HA3  GLY  42           3HA      GLY  42  -2.334   3.370  -9.346
  331    H    GLN  43           H        GLN  43  -2.024   6.147 -11.304
  332    HA   GLN  43           HA       GLN  43  -4.797   6.680 -11.102
  333    HB2  GLN  43           2HB      GLN  43  -2.724   7.989 -12.922
  334    HB3  GLN  43           3HB      GLN  43  -4.333   8.621 -12.562
  335    HG2  GLN  43           2HG      GLN  43  -3.709   8.725 -10.125
  336    HG3  GLN  43           3HG      GLN  43  -2.080   8.203 -10.561
  337   HE21  GLN  43          2HE2      GLN  43  -0.629   9.909 -10.713
  338   HE22  GLN  43          1HE2      GLN  43  -1.044  11.524 -11.217
  339    H    ARG  44           H        ARG  44  -2.872   5.326 -13.783
  340    HA   ARG  44           HA       ARG  44  -4.933   5.432 -15.771
  341    HB2  ARG  44           2HB      ARG  44  -2.490   5.110 -16.189
  342    HB3  ARG  44           3HB      ARG  44  -2.599   3.481 -15.503
  343    HG2  ARG  44           2HG      ARG  44  -4.206   2.845 -17.299
  344    HG3  ARG  44           3HG      ARG  44  -4.093   4.474 -17.980
  345    HD2  ARG  44           2HD      ARG  44  -1.788   2.507 -17.657
  346    HD3  ARG  44           3HD      ARG  44  -2.671   2.798 -19.164
  347    HE   ARG  44           HE       ARG  44  -1.867   5.296 -18.597
  348   HH11  ARG  44          1HH2      ARG  44  -0.031   2.259 -18.695
  349   HH12  ARG  44          2HH2      ARG  44   1.470   3.012 -19.085
  350   HH21  ARG  44          2HH1      ARG  44   0.133   6.303 -19.106
  351   HH22  ARG  44          1HH1      ARG  44   1.557   5.364 -19.333
  352    H    ASP  45           H        ASP  45  -4.068   2.994 -13.284
  353    HA   ASP  45           HA       ASP  45  -5.972   1.016 -14.193
  354    HB2  ASP  45           2HB      ASP  45  -4.020   0.380 -12.860
  355    HB3  ASP  45           3HB      ASP  45  -4.577   1.380 -11.511
  356    H    GLY  46           H        GLY  46  -5.992   3.616 -11.753
  357    HA2  GLY  46           2HA      GLY  46  -8.123   4.884 -11.732
  358    HA3  GLY  46           3HA      GLY  46  -8.967   3.351 -11.493
  359    H    ILE  47           H        ILE  47  -5.856   4.061  -9.829
  360    HA   ILE  47           HA       ILE  47  -7.343   4.410  -7.275
  361    HB   ILE  47           HB       ILE  47  -5.835   2.870  -6.163
  362   HG12  ILE  47          2HG1      ILE  47  -4.709   2.156  -8.909
  363   HG13  ILE  47          3HG1      ILE  47  -3.866   3.068  -7.653
  364   HG21  ILE  47          1HG2      ILE  47  -8.028   2.098  -7.109
  365   HG22  ILE  47          2HG2      ILE  47  -7.158   1.476  -8.530
  366   HG23  ILE  47          3HG2      ILE  47  -6.846   0.804  -6.924
  367   HD11  ILE  47          3HD1      ILE  47  -4.024   1.093  -6.133
  368   HD12  ILE  47          1HD1      ILE  47  -4.714   0.157  -7.483
  369   HD13  ILE  47          2HD1      ILE  47  -3.074   0.807  -7.603
  370    H    ARG  48           H        ARG  48  -6.166   5.524  -5.610
  371    HA   ARG  48           HA       ARG  48  -4.586   7.660  -6.700
  372    HB2  ARG  48           2HB      ARG  48  -6.112   7.660  -4.546
  373    HB3  ARG  48           3HB      ARG  48  -4.686   6.987  -3.743
  374    HG2  ARG  48           2HG      ARG  48  -3.453   9.070  -4.877
  375    HG3  ARG  48           3HG      ARG  48  -5.089   9.706  -5.004
  376    HD2  ARG  48           2HD      ARG  48  -5.330   9.360  -2.512
  377    HD3  ARG  48           3HD      ARG  48  -3.656   8.827  -2.452
  378    HE   ARG  48           HE       ARG  48  -4.678  11.560  -2.762
  379   HH11  ARG  48          1HH2      ARG  48  -1.775   9.475  -3.058
  380   HH12  ARG  48          2HH2      ARG  48  -0.665  10.786  -2.950
  381   HH21  ARG  48          1HH1      ARG  48  -3.168  13.291  -2.854
  382   HH22  ARG  48          2HH1      ARG  48  -1.471  12.973  -2.626
  383    H    VAL  49           H        VAL  49  -2.395   8.032  -6.575
  384    HA   VAL  49           HA       VAL  49  -0.538   5.845  -6.126
  385    HB   VAL  49           HB       VAL  49  -0.071   8.856  -6.414
  386   HG11  VAL  49          1HG1      VAL  49   1.786   6.485  -6.853
  387   HG12  VAL  49          2HG1      VAL  49   2.163   8.159  -7.310
  388   HG13  VAL  49          3HG1      VAL  49   1.950   7.748  -5.613
  389   HG21  VAL  49          3HG2      VAL  49   0.417   8.282  -8.842
  390   HG22  VAL  49          1HG2      VAL  49  -0.336   6.696  -8.536
  391   HG23  VAL  49          2HG2      VAL  49  -1.279   8.190  -8.374
  392    H    GLY  50           H        GLY  50   1.064   5.866  -4.312
  393    HA2  GLY  50           2HA      GLY  50   1.929   6.538  -2.309
  394    HA3  GLY  50           3HA      GLY  50   0.767   7.866  -2.240
  395    H    HIS  51           H        HIS  51  -1.221   5.226  -2.658
  396    HA   HIS  51           HA       HIS  51  -1.904   4.966   0.152
  397    HB2  HIS  51           2HB      HIS  51  -2.597   3.348  -2.338
  398    HB3  HIS  51           3HB      HIS  51  -3.097   2.864  -0.726
  399    HD1  HIS  51           1HD      HIS  51  -5.047   3.887  -3.212
  400    HD2  HIS  51           2HD      HIS  51  -4.035   5.770   0.408
  401    HE1  HIS  51           1HE      HIS  51  -7.015   5.390  -2.596
  402    H    ALA  52           H        ALA  52  -1.201   3.442   1.594
  403    HA   ALA  52           HA       ALA  52   1.226   1.875   0.931
  404    HB1  ALA  52           3HB      ALA  52  -0.206   2.421   3.575
  405    HB2  ALA  52           1HB      ALA  52   1.307   1.513   3.374
  406    HB3  ALA  52           2HB      ALA  52   1.266   3.246   2.999
  407    H    VAL  53           H        VAL  53   1.182  -0.394   1.125
  408    HA   VAL  53           HA       VAL  53  -1.394  -1.711   0.824
  409    HB   VAL  53           HB       VAL  53   1.434  -2.757   1.137
  410   HG11  VAL  53          1HG1      VAL  53  -1.115  -4.245   0.414
  411   HG12  VAL  53          2HG1      VAL  53   0.532  -4.886   0.211
  412   HG13  VAL  53          3HG1      VAL  53  -0.080  -4.531   1.826
  413   HG21  VAL  53          3HG2      VAL  53   1.102  -1.496  -0.973
  414   HG22  VAL  53          1HG2      VAL  53   1.173  -3.222  -1.338
  415   HG23  VAL  53          2HG2      VAL  53  -0.393  -2.389  -1.298
  416    H    LEU  54           H        LEU  54  -2.516  -2.757   2.290
  417    HA   LEU  54           HA       LEU  54  -1.721  -2.727   5.169
  418    HB2  LEU  54           2HB      LEU  54  -4.373  -2.645   3.688
  419    HB3  LEU  54           3HB      LEU  54  -4.283  -3.349   5.293
  420    HG   LEU  54           HG       LEU  54  -3.531  -1.296   6.294
  421   HD11  LEU  54          1HD1      LEU  54  -3.464   0.851   5.012
  422   HD12  LEU  54          2HD1      LEU  54  -2.166  -0.253   4.568
  423   HD13  LEU  54          3HD1      LEU  54  -3.575  -0.079   3.503
  424   HD21  LEU  54          3HD2      LEU  54  -5.959  -1.671   5.975
  425   HD22  LEU  54          1HD2      LEU  54  -5.561   0.053   5.939
  426   HD23  LEU  54          2HD2      LEU  54  -5.894  -0.810   4.421
  427    H    ALA  55           H        ALA  55  -2.880  -4.771   2.392
  428    HA   ALA  55           HA       ALA  55  -1.776  -7.117   3.779
  429    HB1  ALA  55           3HB      ALA  55  -4.705  -7.032   2.915
  430    HB2  ALA  55           1HB      ALA  55  -3.849  -8.429   3.565
  431    HB3  ALA  55           2HB      ALA  55  -4.134  -7.022   4.601
  432    H    ILE  56           H        ILE  56  -1.633  -8.987   2.366
  433    HA   ILE  56           HA       ILE  56  -2.109  -8.542  -0.528
  434    HB   ILE  56           HB       ILE  56   0.470  -9.735   0.570
  435   HG12  ILE  56          2HG1      ILE  56   0.161  -7.077  -0.898
  436   HG13  ILE  56          3HG1      ILE  56   0.395  -7.222   0.843
  437   HG21  ILE  56          1HG2      ILE  56  -0.409  -9.069  -2.286
  438   HG22  ILE  56          2HG2      ILE  56   1.136  -9.811  -1.821
  439   HG23  ILE  56          3HG2      ILE  56  -0.366 -10.691  -1.599
  440   HD11  ILE  56          3HD1      ILE  56   2.560  -8.417   0.440
  441   HD12  ILE  56          1HD1      ILE  56   2.385  -8.048  -1.286
  442   HD13  ILE  56          2HD1      ILE  56   2.519  -6.729  -0.118
  443    H    ASN  57           H        ASN  57  -2.893 -10.445  -1.432
  444    HA   ASN  57           HA       ASN  57  -4.086 -12.357  -1.490
  445    HB2  ASN  57           2HB      ASN  57  -1.499 -13.369  -0.273
  446    HB3  ASN  57           3HB      ASN  57  -2.740 -14.409  -0.960
  447   HD21  ASN  57          2HD2      ASN  57  -0.056 -14.303  -1.871
  448   HD22  ASN  57          1HD2      ASN  57  -0.159 -13.917  -3.576
  449    H    GLY  58           H        GLY  58  -4.749 -10.776   0.773
  450    HA2  GLY  58           2HA      GLY  58  -6.339 -10.982   2.422
  451    HA3  GLY  58           3HA      GLY  58  -6.308 -12.739   2.232
  452    H    MET  59           H        MET  59  -3.164 -11.359   2.808
  453    HA   MET  59           HA       MET  59  -3.303 -11.991   5.723
  454    HB2  MET  59           2HB      MET  59  -1.018 -12.350   3.731
  455    HB3  MET  59           3HB      MET  59  -0.878 -12.545   5.478
  456    HG2  MET  59           2HG      MET  59  -2.693 -14.193   3.676
  457    HG3  MET  59           3HG      MET  59  -1.111 -14.691   4.267
  458    HE1  MET  59           3HE      MET  59  -2.189 -16.963   5.092
  459    HE2  MET  59           1HE      MET  59  -3.592 -17.053   6.179
  460    HE3  MET  59           2HE      MET  59  -3.787 -16.414   4.532
  461    H    ASP  60           H        ASP  60  -3.045 -10.243   6.919
  462    HA   ASP  60           HA       ASP  60  -2.455  -7.607   6.136
  463    HB2  ASP  60           2HB      ASP  60  -3.481  -8.150   8.260
  464    HB3  ASP  60           3HB      ASP  60  -2.084  -9.106   8.753
  465    H    VAL  61           H        VAL  61  -0.535  -6.427   5.916
  466    HA   VAL  61           HA       VAL  61   1.974  -8.010   6.164
  467    HB   VAL  61           HB       VAL  61   3.070  -6.549   4.663
  468   HG11  VAL  61          1HG1      VAL  61   2.007  -7.240   2.606
  469   HG12  VAL  61          2HG1      VAL  61   1.833  -8.535   3.797
  470   HG13  VAL  61          3HG1      VAL  61   0.454  -7.492   3.424
  471   HG21  VAL  61          3HG2      VAL  61   0.462  -5.033   4.299
  472   HG22  VAL  61          1HG2      VAL  61   2.011  -4.411   4.922
  473   HG23  VAL  61          2HG2      VAL  61   1.887  -4.906   3.243
  474    H    ASN  62           H        ASN  62   3.253  -7.598   7.716
  475    HA   ASN  62           HA       ASN  62   2.844  -5.448   9.679
  476    HB2  ASN  62           2HB      ASN  62   3.459  -7.659  10.534
  477    HB3  ASN  62           3HB      ASN  62   4.830  -7.745   9.421
  478   HD21  ASN  62          2HD2      ASN  62   6.345  -7.996  11.181
  479   HD22  ASN  62          1HD2      ASN  62   6.762  -6.654  12.214
  480    H    GLY  63           H        GLY  63   3.157  -3.706   8.186
  481    HA2  GLY  63           2HA      GLY  63   4.420  -2.013   7.259
  482    HA3  GLY  63           3HA      GLY  63   5.838  -2.729   8.021
  483    H    ARG  64           H        ARG  64   7.203  -3.964   6.834
  484    HA   ARG  64           HA       ARG  64   6.716  -4.122   3.902
  485    HB2  ARG  64           2HB      ARG  64   9.120  -3.967   3.642
  486    HB3  ARG  64           3HB      ARG  64   8.531  -2.615   4.607
  487    HG2  ARG  64           2HG      ARG  64   9.239  -3.871   6.685
  488    HG3  ARG  64           3HG      ARG  64   9.939  -5.114   5.644
  489    HD2  ARG  64           2HD      ARG  64  10.762  -2.198   5.499
  490    HD3  ARG  64           3HD      ARG  64  11.491  -3.325   6.645
  491    HE   ARG  64           HE       ARG  64  11.811  -4.667   4.296
  492   HH11  ARG  64          1HH1      ARG  64  12.733  -1.334   5.294
  493   HH12  ARG  64          2HH1      ARG  64  14.171  -1.361   4.331
  494   HH21  ARG  64          1HH2      ARG  64  13.592  -4.645   3.083
  495   HH22  ARG  64          2HH2      ARG  64  14.698  -3.286   3.015
  496    H    TYR  65           H        TYR  65   6.291  -6.196   6.388
  497    HA   TYR  65           HA       TYR  65   7.348  -8.475   4.793
  498    HB2  TYR  65           2HB      TYR  65   7.175  -8.348   7.821
  499    HB3  TYR  65           3HB      TYR  65   7.837  -9.656   6.852
  500    HD1  TYR  65           1HD      TYR  65   9.881  -9.028   5.288
  501    HD2  TYR  65           2HD      TYR  65   8.637  -6.707   8.703
  502    HE1  TYR  65           1HE      TYR  65  12.071  -7.867   5.284
  503    HE2  TYR  65           2HE      TYR  65  10.870  -5.631   8.786
  504    HH   TYR  65           HH       TYR  65  13.458  -6.366   6.402
  505    H    THR  66           H        THR  66   5.937 -10.369   4.762
  506    HA   THR  66           HA       THR  66   3.131  -9.780   5.144
  507    HB   THR  66           HB       THR  66   2.815 -12.156   4.559
  508    HG1  THR  66           1HG      THR  66   4.595 -13.413   4.085
  509   HG21  THR  66          3HG2      THR  66   3.697 -12.085   2.292
  510   HG22  THR  66          1HG2      THR  66   3.099 -10.485   2.758
  511   HG23  THR  66          2HG2      THR  66   4.852 -10.810   2.733
  512    H    ALA  67           H        ALA  67   1.778 -11.435   6.397
  513    HA   ALA  67           HA       ALA  67   2.277 -11.461   9.172
  514    HB1  ALA  67           3HB      ALA  67   0.509 -13.224   9.184
  515    HB2  ALA  67           1HB      ALA  67   0.063 -11.863   8.131
  516    HB3  ALA  67           2HB      ALA  67   0.674 -13.379   7.419
  517    H    ASP  68           H        ASP  68   3.109 -13.800   6.623
  518    HA   ASP  68           HA       ASP  68   4.234 -15.812   8.375
  519    HB2  ASP  68           2HB      ASP  68   3.414 -16.400   6.158
  520    HB3  ASP  68           3HB      ASP  68   4.563 -15.295   5.396
  521    H    GLY  69           H        GLY  69   5.575 -13.067   6.501
  522    HA2  GLY  69           2HA      GLY  69   7.346 -11.865   7.748
  523    HA3  GLY  69           3HA      GLY  69   8.197 -13.402   7.919
  524    H    LYS  70           H        LYS  70   6.814 -13.396   4.830
  525    HA   LYS  70           HA       LYS  70   9.295 -13.159   3.413
  526    HB2  LYS  70           2HB      LYS  70   6.419 -12.777   2.440
  527    HB3  LYS  70           3HB      LYS  70   7.811 -13.103   1.417
  528    HG2  LYS  70           2HG      LYS  70   6.896 -15.068   3.564
  529    HG3  LYS  70           3HG      LYS  70   6.195 -15.044   1.956
  530    HD2  LYS  70           2HD      LYS  70   8.295 -15.495   0.899
  531    HD3  LYS  70           3HD      LYS  70   9.196 -15.354   2.420
  532    HE2  LYS  70           2HE      LYS  70   6.957 -17.373   1.997
  533    HE3  LYS  70           3HE      LYS  70   8.632 -17.718   1.535
  534    HZ1  LYS  70           3HZ      LYS  70   8.218 -18.575   3.702
  535    HZ2  LYS  70           1HZ      LYS  70   9.249 -17.328   3.877
  536    HZ3  LYS  70           2HZ      LYS  70   7.659 -17.161   4.284
  537    H    GLU  71           H        GLU  71  10.247 -11.268   2.463
  538    HA   GLU  71           HA       GLU  71   9.195  -8.672   3.244
  539    HB2  GLU  71           2HB      GLU  71  11.595  -8.991   2.949
  540    HB3  GLU  71           3HB      GLU  71  11.371  -9.408   1.239
  541    HG2  GLU  71           2HG      GLU  71  10.701  -7.197   0.668
  542    HG3  GLU  71           3HG      GLU  71  10.298  -6.787   2.332
  543    H    VAL  72           H        VAL  72   7.770  -7.460   2.149
  544    HA   VAL  72           HA       VAL  72   5.957  -8.764   0.513
  545    HB   VAL  72           HB       VAL  72   4.958  -6.499   0.211
  546   HG11  VAL  72          1HG1      VAL  72   4.438  -6.187   2.595
  547   HG12  VAL  72          2HG1      VAL  72   4.394  -7.891   2.115
  548   HG13  VAL  72          3HG1      VAL  72   5.770  -7.277   3.032
  549   HG21  VAL  72          3HG2      VAL  72   7.493  -5.531   1.618
  550   HG22  VAL  72          1HG2      VAL  72   6.794  -4.985   0.092
  551   HG23  VAL  72          2HG2      VAL  72   5.980  -4.638   1.625
  552    H    LEU  73           H        LEU  73   8.657  -6.643  -0.612
  553    HA   LEU  73           HA       LEU  73   7.665  -6.657  -3.329
  554    HB2  LEU  73           2HB      LEU  73  10.438  -6.088  -2.198
  555    HB3  LEU  73           3HB      LEU  73  10.064  -6.037  -3.915
  556    HG   LEU  73           HG       LEU  73   8.882  -4.219  -1.782
  557   HD11  LEU  73          1HD1      LEU  73  10.113  -2.478  -3.080
  558   HD12  LEU  73          2HD1      LEU  73  11.203  -3.709  -2.417
  559   HD13  LEU  73          3HD1      LEU  73  10.765  -3.736  -4.139
  560   HD21  LEU  73          3HD2      LEU  73   7.850  -2.982  -3.708
  561   HD22  LEU  73          1HD2      LEU  73   8.297  -4.327  -4.778
  562   HD23  LEU  73          2HD2      LEU  73   7.132  -4.569  -3.455
  563    H    GLU  74           H        GLU  74   9.862  -8.808  -1.506
  564    HA   GLU  74           HA       GLU  74  10.652 -10.349  -3.826
  565    HB2  GLU  74           2HB      GLU  74  11.946 -10.252  -1.704
  566    HB3  GLU  74           3HB      GLU  74  10.634 -11.086  -0.861
  567    HG2  GLU  74           2HG      GLU  74  10.932 -13.064  -2.311
  568    HG3  GLU  74           3HG      GLU  74  12.176 -12.218  -3.235
  569    H    TYR  75           H        TYR  75   8.103 -10.603  -1.321
  570    HA   TYR  75           HA       TYR  75   6.989 -13.062  -2.092
  571    HB2  TYR  75           2HB      TYR  75   6.520 -11.819   0.011
  572    HB3  TYR  75           3HB      TYR  75   5.643 -10.603  -0.897
  573    HD1  TYR  75           1HD      TYR  75   5.689 -14.294  -0.223
  574    HD2  TYR  75           2HD      TYR  75   3.314 -10.840  -1.245
  575    HE1  TYR  75           1HE      TYR  75   3.646 -15.649   0.023
  576    HE2  TYR  75           2HE      TYR  75   1.256 -12.179  -0.984
  577    HH   TYR  75           HH       TYR  75   1.302 -15.664  -0.096
  578    H    LEU  76           H        LEU  76   6.160  -9.732  -3.210
  579    HA   LEU  76           HA       LEU  76   4.061 -10.622  -5.000
  580    HB2  LEU  76           2HB      LEU  76   5.697  -8.060  -4.799
  581    HB3  LEU  76           3HB      LEU  76   4.388  -8.282  -5.955
  582    HG   LEU  76           HG       LEU  76   3.937  -8.554  -2.962
  583   HD11  LEU  76          1HD1      LEU  76   3.577  -6.086  -4.726
  584   HD12  LEU  76          2HD1      LEU  76   3.070  -6.236  -3.029
  585   HD13  LEU  76          3HD1      LEU  76   4.789  -6.289  -3.441
  586   HD21  LEU  76          3HD2      LEU  76   2.051  -8.132  -5.315
  587   HD22  LEU  76          1HD2      LEU  76   2.180  -9.577  -4.279
  588   HD23  LEU  76          2HD2      LEU  76   1.575  -8.059  -3.612
  589    H    GLY  77           H        GLY  77   7.552  -9.915  -5.336
  590    HA2  GLY  77           2HA      GLY  77   7.639 -10.041  -8.179
  591    HA3  GLY  77           3HA      GLY  77   9.008 -10.153  -7.060
  592    H    ASN  78           H        ASN  78   7.884 -12.550  -5.690
  593    HA   ASN  78           HA       ASN  78   9.176 -14.622  -6.981
  594    HB2  ASN  78           2HB      ASN  78   8.507 -14.695  -4.645
  595    HB3  ASN  78           3HB      ASN  78   6.799 -14.691  -5.093
  596   HD21  ASN  78          1HD2      ASN  78   7.163 -16.653  -3.491
  597   HD22  ASN  78          2HD2      ASN  78   7.427 -18.185  -4.281
  598    HA   PRO  79           HA       PRO  79   6.266 -15.053 -10.353
  599    HB2  PRO  79           2HB      PRO  79   7.433 -17.029 -11.851
  600    HB3  PRO  79           3HB      PRO  79   8.009 -15.333 -11.777
  601    HG2  PRO  79           2HG      PRO  79   9.015 -17.714 -10.177
  602    HG3  PRO  79           3HG      PRO  79   9.982 -16.515 -11.095
  603    HD2  PRO  79           2HD      PRO  79   9.600 -16.289  -8.414
  604    HD3  PRO  79           3HD      PRO  79   9.619 -14.840  -9.463
  605    H    ALA  80           H        ALA  80   6.903 -17.557  -8.006
  606    HA   ALA  80           HA       ALA  80   4.835 -19.393  -8.860
  607    HB1  ALA  80           3HB      ALA  80   6.660 -19.959  -7.230
  608    HB2  ALA  80           1HB      ALA  80   5.900 -18.849  -6.057
  609    HB3  ALA  80           2HB      ALA  80   5.032 -20.291  -6.603
  610    H    ASN  81           H        ASN  81   4.711 -16.177  -7.656
  611    HA   ASN  81           HA       ASN  81   1.896 -16.404  -6.721
  612    HB2  ASN  81           2HB      ASN  81   3.555 -16.187  -4.866
  613    HB3  ASN  81           3HB      ASN  81   4.209 -14.742  -5.643
  614   HD21  ASN  81          2HD2      ASN  81   3.737 -13.294  -4.039
  615   HD22  ASN  81          1HD2      ASN  81   2.123 -12.933  -3.453
  616    H    TYR  82           H        TYR  82   2.594 -15.983  -9.396
  617    HA   TYR  82           HA       TYR  82   3.017 -13.298 -10.126
  618    HB2  TYR  82           2HB      TYR  82   2.895 -15.758 -11.420
  619    HB3  TYR  82           3HB      TYR  82   1.451 -14.984 -12.022
  620    HD1  TYR  82           1HD      TYR  82   4.955 -13.764 -11.274
  621    HD2  TYR  82           2HD      TYR  82   1.813 -14.197 -14.194
  622    HE1  TYR  82           1HE      TYR  82   6.405 -12.711 -12.975
  623    HE2  TYR  82           2HE      TYR  82   3.228 -13.110 -15.884
  624    HH   TYR  82           HH       TYR  82   5.335 -12.198 -16.370
  625    HA   PRO  83           HA       PRO  83  -1.616 -12.413 -10.252
  626    HB2  PRO  83           2HB      PRO  83  -3.478 -14.090  -9.192
  627    HB3  PRO  83           3HB      PRO  83  -2.913 -14.241 -10.884
  628    HG2  PRO  83           2HG      PRO  83  -2.011 -15.829  -8.467
  629    HG3  PRO  83           3HG      PRO  83  -2.434 -16.431 -10.098
  630    HD2  PRO  83           2HD      PRO  83   0.142 -15.975  -9.281
  631    HD3  PRO  83           3HD      PRO  83  -0.375 -15.775 -10.980
  632    H    VAL  84           H        VAL  84  -2.301 -11.012  -8.580
  633    HA   VAL  84           HA       VAL  84  -1.615 -11.748  -5.785
  634    HB   VAL  84           HB       VAL  84  -0.445  -9.563  -5.534
  635   HG11  VAL  84          1HG1      VAL  84   1.703 -10.282  -6.476
  636   HG12  VAL  84          2HG1      VAL  84   0.835 -11.673  -5.809
  637   HG13  VAL  84          3HG1      VAL  84   0.896 -11.401  -7.567
  638   HG21  VAL  84          3HG2      VAL  84   0.556  -8.442  -7.509
  639   HG22  VAL  84          1HG2      VAL  84  -0.398  -9.469  -8.592
  640   HG23  VAL  84          2HG2      VAL  84  -1.206  -8.308  -7.512
  641    H    SER  85           H        SER  85  -3.140 -11.087  -4.382
  642    HA   SER  85           HA       SER  85  -5.111  -9.000  -5.237
  643    HB2  SER  85           2HB      SER  85  -5.321 -11.131  -3.075
  644    HB3  SER  85           3HB      SER  85  -6.552  -9.919  -3.473
  645    HG   SER  85           HG       SER  85  -6.844 -10.842  -5.447
  646    H    ILE  86           H        ILE  86  -5.212  -7.124  -3.923
  647    HA   ILE  86           HA       ILE  86  -3.322  -6.994  -1.635
  648    HB   ILE  86           HB       ILE  86  -3.311  -4.991  -3.933
  649   HG12  ILE  86          2HG1      ILE  86  -1.423  -7.321  -3.401
  650   HG13  ILE  86          3HG1      ILE  86  -2.382  -7.026  -4.853
  651   HG21  ILE  86          1HG2      ILE  86  -1.340  -5.377  -1.643
  652   HG22  ILE  86          2HG2      ILE  86  -1.348  -4.060  -2.837
  653   HG23  ILE  86          3HG2      ILE  86  -2.624  -4.159  -1.639
  654   HD11  ILE  86          3HD1      ILE  86   0.082  -5.524  -3.943
  655   HD12  ILE  86          1HD1      ILE  86  -0.121  -6.544  -5.371
  656   HD13  ILE  86          2HD1      ILE  86  -0.969  -4.984  -5.285
  657    H    ARG  87           H        ARG  87  -3.987  -5.606  -0.059
  658    HA   ARG  87           HA       ARG  87  -6.411  -3.937  -0.540
  659    HB2  ARG  87           2HB      ARG  87  -6.782  -5.891   1.086
  660    HB3  ARG  87           3HB      ARG  87  -5.581  -5.127   2.142
  661    HG2  ARG  87           2HG      ARG  87  -6.978  -3.065   2.237
  662    HG3  ARG  87           3HG      ARG  87  -8.155  -3.832   1.163
  663    HD2  ARG  87           2HD      ARG  87  -8.426  -5.656   2.919
  664    HD3  ARG  87           3HD      ARG  87  -7.422  -4.673   3.986
  665    HE   ARG  87           HE       ARG  87  -9.104  -3.001   4.098
  666   HH11  ARG  87          1HH1      ARG  87 -10.250  -5.728   2.032
  667   HH12  ARG  87          2HH1      ARG  87 -11.900  -5.216   2.163
  668   HH21  ARG  87          1HH2      ARG  87 -11.119  -2.369   4.163
  669   HH22  ARG  87          2HH2      ARG  87 -12.448  -3.234   3.408
  670    H    PHE  88           H        PHE  88  -6.062  -1.781  -0.069
  671    HA   PHE  88           HA       PHE  88  -3.534  -0.929   1.190
  672    HB2  PHE  88           2HB      PHE  88  -3.048   0.450  -0.890
  673    HB3  PHE  88           3HB      PHE  88  -2.791  -1.273  -1.053
  674    HD1  PHE  88           2HD      PHE  88  -5.019   1.542  -2.041
  675    HD2  PHE  88           1HD      PHE  88  -4.139  -2.650  -2.542
  676    HE1  PHE  88           2HE      PHE  88  -6.547   1.443  -3.997
  677    HE2  PHE  88           1HE      PHE  88  -5.694  -2.754  -4.461
  678    HZ   PHE  88           HZ       PHE  88  -6.910  -0.712  -5.189
  679    H    GLY  89           H        GLY  89  -3.509   1.456   1.482
  680    HA2  GLY  89           2HA      GLY  89  -5.813   3.102   1.099
  681    HA3  GLY  89           3HA      GLY  89  -5.835   2.369   2.719
  682    H    ARG  90           H        ARG  90  -5.597   4.849   3.199
  683    HA   ARG  90           HA       ARG  90  -2.881   5.909   2.814
  684    HB2  ARG  90           2HB      ARG  90  -5.000   6.898   4.782
  685    HB3  ARG  90           3HB      ARG  90  -3.480   7.685   4.370
  686    HG2  ARG  90           2HG      ARG  90  -4.850   8.881   2.983
  687    HG3  ARG  90           3HG      ARG  90  -4.408   7.576   1.883
  688    HD2  ARG  90           2HD      ARG  90  -6.551   6.411   2.960
  689    HD3  ARG  90           3HD      ARG  90  -7.005   8.049   3.384
  690    HE   ARG  90           HE       ARG  90  -6.913   6.768   0.734
  691   HH11  ARG  90          1HH1      ARG  90  -7.020   9.952   2.347
  692   HH12  ARG  90          2HH1      ARG  90  -7.552  10.755   0.894
  693   HH21  ARG  90          1HH2      ARG  90  -8.225   7.747  -0.836
  694   HH22  ARG  90          2HH2      ARG  90  -8.514   9.457  -0.788
  695    HA   PRO  91           HA       PRO  91  -1.101   3.469   6.044
  696    HB2  PRO  91           2HB      PRO  91   1.027   5.029   6.892
  697    HB3  PRO  91           3HB      PRO  91   0.999   4.086   5.375
  698    HG2  PRO  91           2HG      PRO  91   0.394   7.028   5.762
  699    HG3  PRO  91           3HG      PRO  91   1.410   6.260   4.501
  700    HD2  PRO  91           2HD      PRO  91  -1.161   6.998   4.015
  701    HD3  PRO  91           3HD      PRO  91  -0.487   5.495   3.313
  702    H    ARG  92           H        ARG  92  -2.056   6.793   6.722
  703    HA   ARG  92           HA       ARG  92  -3.191   5.972   9.302
  704    HB2  ARG  92           2HB      ARG  92  -1.493   8.492   8.891
  705    HB3  ARG  92           3HB      ARG  92  -2.565   8.211  10.265
  706    HG2  ARG  92           2HG      ARG  92  -1.203   6.203  10.901
  707    HG3  ARG  92           3HG      ARG  92  -0.118   6.538   9.544
  708    HD2  ARG  92           2HD      ARG  92   0.907   7.407  11.523
  709    HD3  ARG  92           3HD      ARG  92   0.392   8.772  10.517
  710    HE   ARG  92           HE       ARG  92  -1.608   8.029  12.475
  711   HH11  ARG  92          1HH1      ARG  92   1.450   9.799  12.143
  712   HH12  ARG  92          2HH1      ARG  92   1.156  10.847  13.481
  713   HH21  ARG  92          1HH2      ARG  92  -2.010   9.434  14.254
  714   HH22  ARG  92          2HH2      ARG  92  -0.855  10.626  14.709
  715    H    LEU  93           H        LEU  93  -5.239   7.072   9.533
  716    HA   LEU  93           HA       LEU  93  -6.420   7.692   7.047
  717    HB2  LEU  93           2HB      LEU  93  -7.644   6.828   8.944
  718    HB3  LEU  93           3HB      LEU  93  -7.455   8.365   9.802
  719    HG   LEU  93           HG       LEU  93  -9.701   7.885   8.817
  720   HD11  LEU  93          1HD1      LEU  93  -8.578  10.446   7.634
  721   HD12  LEU  93          2HD1      LEU  93 -10.233  10.080   8.116
  722   HD13  LEU  93          3HD1      LEU  93  -8.977  10.219   9.352
  723   HD21  LEU  93          3HD2      LEU  93 -10.147   8.092   6.472
  724   HD22  LEU  93          1HD2      LEU  93  -8.458   8.463   6.098
  725   HD23  LEU  93          2HD2      LEU  93  -8.907   6.849   6.700
  726    H    THR  94           H        THR  94  -6.465   9.341   5.949
  727    HA   THR  94           HA       THR  94  -6.106  12.116   6.799
  728    HB   THR  94           HB       THR  94  -4.129  10.909   4.804
  729    HG1  THR  94           1HG      THR  94  -3.604   9.957   6.726
  730   HG21  THR  94          3HG2      THR  94  -4.425  13.330   4.636
  731   HG22  THR  94          1HG2      THR  94  -4.175  13.521   6.388
  732   HG23  THR  94          2HG2      THR  94  -2.848  12.980   5.346
  733    H    SER  95           H        SER  95  -7.310  13.356   5.314
  734    HA   SER  95           HA       SER  95  -7.625  12.485   2.535
  735    HB2  SER  95           2HB      SER  95 -10.171  12.527   2.815
  736    HB3  SER  95           3HB      SER  95  -9.322  11.136   3.490
  737    HG   SER  95           HG       SER  95 -10.888  11.999   4.929
  738    H    ASN  96           H        ASN  96  -6.767  14.942   4.374
  739    HA   ASN  96           HA       ASN  96  -7.884  17.053   2.718
  740    HB2  ASN  96           2HB      ASN  96  -9.663  16.957   4.387
  741    HB3  ASN  96           3HB      ASN  96  -8.483  16.885   5.702
  742   HD21  ASN  96          2HD2      ASN  96  -7.682  18.842   6.531
  743   HD22  ASN  96          1HD2      ASN  96  -8.026  20.402   5.832
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -17.695  -4.033  37.125
    2    H2   MET   1           H2       MET   1 -18.118  -5.593  36.879
    3    H3   MET   1           H3       MET   1 -17.566  -5.114  38.346
    4    HA   MET   1           HA       MET   1 -15.422  -4.602  37.475
    5    HB2  MET   1           2HB      MET   1 -15.801  -6.859  38.388
    6    HB3  MET   1           3HB      MET   1 -16.259  -7.451  36.789
    7    HG2  MET   1           2HG      MET   1 -13.992  -6.879  35.942
    8    HG3  MET   1           3HG      MET   1 -13.557  -6.257  37.538
    9    HE1  MET   1           3HE      MET   1 -11.368  -7.745  37.467
   10    HE2  MET   1           1HE      MET   1 -11.372  -9.497  37.168
   11    HE3  MET   1           2HE      MET   1 -11.843  -8.375  35.872
   12    H    GLY   2           H        GLY   2 -16.750  -6.730  34.825
   13    HA2  GLY   2           2HA      GLY   2 -16.737  -4.832  32.752
   14    HA3  GLY   2           3HA      GLY   2 -15.122  -5.562  32.841
   15    H    HIS   3           H        HIS   3 -16.142  -6.182  30.589
   16    HA   HIS   3           HA       HIS   3 -17.423  -8.871  30.811
   17    HB2  HIS   3           2HB      HIS   3 -18.001  -6.712  28.746
   18    HB3  HIS   3           3HB      HIS   3 -18.755  -8.302  28.835
   19    HD1  HIS   3           1HD      HIS   3 -19.380  -4.839  29.975
   20    HD2  HIS   3           2HD      HIS   3 -20.164  -8.756  31.311
   21    HE1  HIS   3           1HE      HIS   3 -21.259  -4.649  31.680
   22    H    HIS   4           H        HIS   4 -14.545  -7.651  30.218
   23    HA   HIS   4           HA       HIS   4 -12.791  -7.954  28.849
   24    HB2  HIS   4           2HB      HIS   4 -13.947 -10.748  28.570
   25    HB3  HIS   4           3HB      HIS   4 -12.266 -10.277  28.342
   26    HD1  HIS   4           1HD      HIS   4 -10.966  -9.420  30.691
   27    HD2  HIS   4           2HD      HIS   4 -14.707 -11.329  31.028
   28    HE1  HIS   4           1HE      HIS   4 -11.197 -10.116  33.128
   29    H    HIS   5           H        HIS   5 -14.827  -6.614  27.506
   30    HA   HIS   5           HA       HIS   5 -14.259  -7.197  24.703
   31    HB2  HIS   5           2HB      HIS   5 -16.263  -8.611  25.244
   32    HB3  HIS   5           3HB      HIS   5 -17.102  -7.177  25.829
   33    HD1  HIS   5           1HD      HIS   5 -15.533  -8.397  22.463
   34    HD2  HIS   5           2HD      HIS   5 -18.610  -6.005  24.061
   35    HE1  HIS   5           1HE      HIS   5 -16.887  -7.549  20.480
   36    H    HIS   6           H        HIS   6 -15.049  -5.334  23.365
   37    HA   HIS   6           HA       HIS   6 -15.938  -2.908  24.672
   38    HB2  HIS   6           2HB      HIS   6 -14.039  -1.537  23.930
   39    HB3  HIS   6           3HB      HIS   6 -13.499  -2.748  25.081
   40    HD1  HIS   6           1HD      HIS   6 -13.188  -1.872  21.335
   41    HD2  HIS   6           2HD      HIS   6 -11.804  -4.652  24.189
   42    HE1  HIS   6           1HE      HIS   6 -11.279  -3.148  20.234
   43    H    HIS   7           H        HIS   7 -16.399  -1.252  22.948
   44    HA   HIS   7           HA       HIS   7 -17.488  -2.363  20.541
   45    HB2  HIS   7           2HB      HIS   7 -17.641   0.040  19.826
   46    HB3  HIS   7           3HB      HIS   7 -18.447  -0.354  21.334
   47    HD1  HIS   7           1HD      HIS   7 -17.674   1.007  23.486
   48    HD2  HIS   7           2HD      HIS   7 -15.330   1.568  20.031
   49    HE1  HIS   7           1HE      HIS   7 -16.091   2.928  23.999
   50    H    HIS   8           H        HIS   8 -16.443  -2.974  18.726
   51    HA   HIS   8           HA       HIS   8 -13.545  -2.581  18.532
   52    HB2  HIS   8           2HB      HIS   8 -15.590  -4.134  16.911
   53    HB3  HIS   8           3HB      HIS   8 -13.916  -3.957  16.404
   54    HD1  HIS   8           1HD      HIS   8 -14.891  -4.691  20.122
   55    HD2  HIS   8           2HD      HIS   8 -13.073  -6.389  16.711
   56    HE1  HIS   8           1HE      HIS   8 -13.800  -6.845  20.886
   57    H    LEU   9           H        LEU   9 -16.234  -0.750  17.558
   58    HA   LEU   9           HA       LEU   9 -15.063   0.471  15.193
   59    HB2  LEU   9           2HB      LEU   9 -17.570   0.249  15.868
   60    HB3  LEU   9           3HB      LEU   9 -17.296   1.671  16.864
   61    HG   LEU   9           HG       LEU   9 -16.894   1.400  13.845
   62   HD11  LEU   9          1HD1      LEU   9 -18.836   2.898  13.673
   63   HD12  LEU   9          2HD1      LEU   9 -19.248   1.433  14.572
   64   HD13  LEU   9          3HD1      LEU   9 -18.970   2.955  15.446
   65   HD21  LEU   9          3HD2      LEU   9 -16.557   3.905  15.545
   66   HD22  LEU   9          1HD2      LEU   9 -15.287   3.072  14.615
   67   HD23  LEU   9          2HD2      LEU   9 -16.615   3.864  13.771
   68    H    ASP  10           H        ASP  10 -13.016   0.510  16.518
   69    HA   ASP  10           HA       ASP  10 -12.534   3.190  17.704
   70    HB2  ASP  10           2HB      ASP  10 -12.961   1.685  19.586
   71    HB3  ASP  10           3HB      ASP  10 -11.872   0.479  18.898
   72    H    SER  11           H        SER  11 -11.323   0.197  16.230
   73    HA   SER  11           HA       SER  11  -8.620   0.911  15.890
   74    HB2  SER  11           2HB      SER  11 -10.318  -0.815  14.047
   75    HB3  SER  11           3HB      SER  11  -8.569  -0.918  14.326
   76    HG   SER  11           HG       SER  11  -9.742  -2.502  15.507
   77    H    TYR  12           H        TYR  12  -7.516   1.467  13.894
   78    HA   TYR  12           HA       TYR  12  -9.008   3.067  11.893
   79    HB2  TYR  12           2HB      TYR  12  -7.420   4.958  12.250
   80    HB3  TYR  12           3HB      TYR  12  -8.528   4.693  13.576
   81    HD1  TYR  12           2HD      TYR  12  -7.744   3.752  15.749
   82    HD2  TYR  12           1HD      TYR  12  -4.988   4.677  12.561
   83    HE1  TYR  12           2HE      TYR  12  -5.861   3.548  17.329
   84    HE2  TYR  12           1HE      TYR  12  -3.096   4.500  14.137
   85    HH   TYR  12           HH       TYR  12  -3.547   3.684  17.614
   86    H    ALA  13           H        ALA  13  -5.793   1.978  12.989
   87    HA   ALA  13           HA       ALA  13  -4.368   2.088  10.689
   88    HB1  ALA  13           3HB      ALA  13  -3.428   1.523  12.863
   89    HB2  ALA  13           1HB      ALA  13  -4.224  -0.069  12.838
   90    HB3  ALA  13           2HB      ALA  13  -2.945   0.303  11.676
   91    HA   PRO  14           HA       PRO  14  -5.914  -2.173   9.033
   92    HB2  PRO  14           2HB      PRO  14  -8.823  -1.966   9.802
   93    HB3  PRO  14           3HB      PRO  14  -7.812  -3.429   9.589
   94    HG2  PRO  14           2HG      PRO  14  -8.378  -2.529  12.073
   95    HG3  PRO  14           3HG      PRO  14  -6.704  -3.047  11.681
   96    HD2  PRO  14           2HD      PRO  14  -7.841  -0.240  11.716
   97    HD3  PRO  14           3HD      PRO  14  -6.330  -0.847  12.461
   98    H    ARG  15           H        ARG  15  -7.336   0.993   8.826
   99    HA   ARG  15           HA       ARG  15  -9.299   0.785   6.913
  100    HB2  ARG  15           2HB      ARG  15  -8.829   2.849   8.087
  101    HB3  ARG  15           3HB      ARG  15  -7.226   2.962   7.363
  102    HG2  ARG  15           2HG      ARG  15  -8.669   4.579   6.344
  103    HG3  ARG  15           3HG      ARG  15  -8.239   3.381   5.138
  104    HD2  ARG  15           2HD      ARG  15 -10.483   2.321   5.394
  105    HD3  ARG  15           3HD      ARG  15 -10.875   3.476   6.671
  106    HE   ARG  15           HE       ARG  15 -11.006   5.233   5.126
  107   HH11  ARG  15          1HH2      ARG  15 -10.555   2.120   3.347
  108   HH12  ARG  15          2HH2      ARG  15 -10.510   2.977   1.819
  109   HH21  ARG  15          1HH1      ARG  15 -11.123   6.142   3.008
  110   HH22  ARG  15          2HH1      ARG  15 -10.981   5.056   1.623
  111    H    ALA  16           H        ALA  16  -9.375  -0.005   4.898
  112    HA   ALA  16           HA       ALA  16  -7.253   0.586   2.957
  113    HB1  ALA  16           3HB      ALA  16  -7.188  -1.784   2.222
  114    HB2  ALA  16           1HB      ALA  16  -6.703  -1.682   3.928
  115    HB3  ALA  16           2HB      ALA  16  -8.330  -2.233   3.502
  116    H    GLU  17           H        GLU  17  -8.047   0.169   0.760
  117    HA   GLU  17           HA       GLU  17 -10.919   0.734   0.377
  118    HB2  GLU  17           2HB      GLU  17  -8.580   0.257  -1.526
  119    HB3  GLU  17           3HB      GLU  17 -10.219   0.635  -2.054
  120    HG2  GLU  17           2HG      GLU  17  -8.393   2.432  -0.400
  121    HG3  GLU  17           3HG      GLU  17  -8.751   2.610  -2.112
  122    H    ALA  18           H        ALA  18 -12.089  -0.771  -1.253
  123    HA   ALA  18           HA       ALA  18 -12.088  -3.446  -0.200
  124    HB1  ALA  18           3HB      ALA  18 -14.118  -2.345  -1.068
  125    HB2  ALA  18           1HB      ALA  18 -13.414  -2.309  -2.704
  126    HB3  ALA  18           2HB      ALA  18 -13.793  -3.860  -1.931
  127    H    GLU  19           H        GLU  19 -10.804  -1.980  -3.172
  128    HA   GLU  19           HA       GLU  19  -9.656  -2.746  -4.940
  129    HB2  GLU  19           2HB      GLU  19  -8.195  -4.190  -2.714
  130    HB3  GLU  19           3HB      GLU  19  -7.584  -4.099  -4.362
  131    HG2  GLU  19           2HG      GLU  19  -8.102  -1.741  -2.536
  132    HG3  GLU  19           3HG      GLU  19  -6.543  -2.405  -2.995
  133    H    LYS  20           H        LYS  20  -8.371  -5.453  -5.207
  134    HA   LYS  20           HA       LYS  20 -10.552  -7.244  -5.830
  135    HB2  LYS  20           2HB      LYS  20 -10.285  -7.103  -8.257
  136    HB3  LYS  20           3HB      LYS  20 -10.870  -5.581  -7.633
  137    HG2  LYS  20           2HG      LYS  20  -7.937  -6.070  -8.353
  138    HG3  LYS  20           3HG      LYS  20  -9.148  -5.497  -9.492
  139    HD2  LYS  20           2HD      LYS  20  -9.555  -3.495  -8.049
  140    HD3  LYS  20           3HD      LYS  20  -8.232  -4.033  -6.990
  141    HE2  LYS  20           2HE      LYS  20  -6.659  -3.963  -8.871
  142    HE3  LYS  20           3HE      LYS  20  -7.933  -3.359  -9.937
  143    HZ1  LYS  20           3HZ      LYS  20  -7.106  -1.963  -7.452
  144    HZ2  LYS  20           1HZ      LYS  20  -6.451  -1.636  -8.938
  145    HZ3  LYS  20           2HZ      LYS  20  -8.048  -1.376  -8.657
  146    H    THR  21           H        THR  21  -9.504  -9.058  -7.333
  147    HA   THR  21           HA       THR  21  -6.836  -9.672  -6.261
  148    HB   THR  21           HB       THR  21  -8.764 -11.261  -7.989
  149    HG1  THR  21           1HG      THR  21  -9.356 -11.051  -5.834
  150   HG21  THR  21          3HG2      THR  21  -7.302 -13.206  -7.539
  151   HG22  THR  21          1HG2      THR  21  -6.463 -12.000  -8.520
  152   HG23  THR  21          2HG2      THR  21  -6.097 -12.142  -6.787
  153    H    PHE  22           H        PHE  22  -4.988  -9.829  -7.509
  154    HA   PHE  22           HA       PHE  22  -4.990  -8.227 -10.019
  155    HB2  PHE  22           2HB      PHE  22  -2.991  -8.424  -7.719
  156    HB3  PHE  22           3HB      PHE  22  -2.655  -7.633  -9.240
  157    HD1  PHE  22           1HD      PHE  22  -4.711  -7.415  -6.138
  158    HD2  PHE  22           2HD      PHE  22  -3.431  -5.424  -9.734
  159    HE1  PHE  22           1HE      PHE  22  -5.484  -5.247  -5.217
  160    HE2  PHE  22           2HE      PHE  22  -4.137  -3.244  -8.783
  161    HZ   PHE  22           HZ       PHE  22  -5.150  -3.150  -6.510
  162    H    SER  23           H        SER  23  -3.067  -8.707 -11.354
  163    HA   SER  23           HA       SER  23  -1.634 -11.183 -10.992
  164    HB2  SER  23           2HB      SER  23  -3.394 -10.726 -13.436
  165    HB3  SER  23           3HB      SER  23  -2.142 -11.979 -13.310
  166    HG   SER  23           HG       SER  23  -3.907 -11.895 -11.195
  167    H    TYR  24           H        TYR  24   0.138 -11.199 -12.832
  168    HA   TYR  24           HA       TYR  24   1.059  -8.389 -13.148
  169    HB2  TYR  24           2HB      TYR  24   2.310 -10.836 -12.038
  170    HB3  TYR  24           3HB      TYR  24   3.317  -9.920 -13.138
  171    HD1  TYR  24           1HD      TYR  24   0.854  -8.524 -10.625
  172    HD2  TYR  24           2HD      TYR  24   4.990  -9.175 -11.695
  173    HE1  TYR  24           1HE      TYR  24   1.554  -7.067  -8.767
  174    HE2  TYR  24           2HE      TYR  24   5.697  -7.693  -9.839
  175    HH   TYR  24           HH       TYR  24   3.348  -6.071  -7.657
  176    HA   PRO  25           HA       PRO  25   3.309  -7.691 -14.248
  177    HB2  PRO  25           2HB      PRO  25   3.541  -6.024 -16.413
  178    HB3  PRO  25           3HB      PRO  25   4.583  -7.457 -16.152
  179    HG2  PRO  25           2HG      PRO  25   2.098  -7.249 -17.879
  180    HG3  PRO  25           3HG      PRO  25   3.693  -7.949 -18.311
  181    HD2  PRO  25           2HD      PRO  25   1.614  -9.506 -17.490
  182    HD3  PRO  25           3HD      PRO  25   3.295  -9.883 -17.012
  183    H    LEU  26           H        LEU  26   2.772  -5.355 -13.856
  184    HA   LEU  26           HA       LEU  26  -0.136  -4.801 -14.077
  185    HB2  LEU  26           2HB      LEU  26   0.339  -6.152 -12.040
  186    HB3  LEU  26           3HB      LEU  26   1.535  -4.963 -11.533
  187    HG   LEU  26           HG       LEU  26  -0.247  -3.272 -11.262
  188   HD11  LEU  26          1HD1      LEU  26  -2.180  -5.522 -11.957
  189   HD12  LEU  26          2HD1      LEU  26  -2.624  -3.913 -11.334
  190   HD13  LEU  26          3HD1      LEU  26  -1.906  -4.069 -12.932
  191   HD21  LEU  26          3HD2      LEU  26  -1.278  -4.263  -9.274
  192   HD22  LEU  26          1HD2      LEU  26  -0.799  -5.887  -9.816
  193   HD23  LEU  26          2HD2      LEU  26   0.435  -4.689  -9.377
  194    H    ASP  27           H        ASP  27  -0.688  -2.627 -13.836
  195    HA   ASP  27           HA       ASP  27   1.164  -0.663 -14.723
  196    HB2  ASP  27           2HB      ASP  27  -1.210  -0.539 -15.196
  197    HB3  ASP  27           3HB      ASP  27  -1.601  -0.512 -13.476
  198    H    LEU  28           H        LEU  28   0.130  -1.602 -11.464
  199    HA   LEU  28           HA       LEU  28   1.062   0.723 -10.072
  200    HB2  LEU  28           2HB      LEU  28   0.836  -2.143  -9.059
  201    HB3  LEU  28           3HB      LEU  28   1.054  -0.707  -8.068
  202    HG   LEU  28           HG       LEU  28  -1.413  -1.438  -9.696
  203   HD11  LEU  28          1HD1      LEU  28  -0.997  -1.061  -6.702
  204   HD12  LEU  28          2HD1      LEU  28  -2.499  -1.555  -7.510
  205   HD13  LEU  28          3HD1      LEU  28  -1.093  -2.629  -7.532
  206   HD21  LEU  28          3HD2      LEU  28  -0.810   1.108  -8.133
  207   HD22  LEU  28          1HD2      LEU  28  -1.225   0.954  -9.860
  208   HD23  LEU  28          2HD2      LEU  28  -2.439   0.606  -8.628
  209    H    LEU  29           H        LEU  29   3.013   1.161  -9.096
  210    HA   LEU  29           HA       LEU  29   5.231  -0.791  -9.231
  211    HB2  LEU  29           2HB      LEU  29   5.375   0.711 -11.219
  212    HB3  LEU  29           3HB      LEU  29   5.363   2.113 -10.165
  213    HG   LEU  29           HG       LEU  29   7.557   1.391 -11.190
  214   HD11  LEU  29          1HD1      LEU  29   7.458   3.009  -9.356
  215   HD12  LEU  29          2HD1      LEU  29   7.617   1.697  -8.169
  216   HD13  LEU  29          3HD1      LEU  29   8.924   2.024  -9.312
  217   HD21  LEU  29          3HD2      LEU  29   8.876  -0.352 -10.204
  218   HD22  LEU  29          1HD2      LEU  29   7.621  -0.737  -9.019
  219   HD23  LEU  29          2HD2      LEU  29   7.345  -1.049 -10.748
  220    H    LEU  30           H        LEU  30   6.358  -0.739  -7.293
  221    HA   LEU  30           HA       LEU  30   5.255   1.104  -5.234
  222    HB2  LEU  30           2HB      LEU  30   6.397  -1.679  -4.825
  223    HB3  LEU  30           3HB      LEU  30   5.620  -0.657  -3.624
  224    HG   LEU  30           HG       LEU  30   4.288  -2.034  -5.988
  225   HD11  LEU  30          1HD1      LEU  30   3.981  -2.405  -2.978
  226   HD12  LEU  30          2HD1      LEU  30   3.110  -3.301  -4.242
  227   HD13  LEU  30          3HD1      LEU  30   4.862  -3.490  -4.076
  228   HD21  LEU  30          3HD2      LEU  30   3.034  -0.179  -3.916
  229   HD22  LEU  30          1HD2      LEU  30   3.151   0.097  -5.673
  230   HD23  LEU  30          2HD2      LEU  30   2.142  -1.208  -5.066
  231    H    LYS  31           H        LYS  31   6.670   1.785  -3.534
  232    HA   LYS  31           HA       LYS  31   9.557   1.195  -3.841
  233    HB2  LYS  31           2HB      LYS  31  10.190   3.504  -3.416
  234    HB3  LYS  31           3HB      LYS  31   9.240   3.356  -4.881
  235    HG2  LYS  31           2HG      LYS  31   8.396   5.269  -4.032
  236    HG3  LYS  31           3HG      LYS  31   7.205   4.123  -3.426
  237    HD2  LYS  31           2HD      LYS  31   8.228   4.203  -1.194
  238    HD3  LYS  31           3HD      LYS  31   9.547   5.214  -1.785
  239    HE2  LYS  31           2HE      LYS  31   6.592   5.998  -1.873
  240    HE3  LYS  31           3HE      LYS  31   7.670   6.410  -0.539
  241    HZ1  LYS  31           3HZ      LYS  31   7.514   8.227  -2.099
  242    HZ2  LYS  31           1HZ      LYS  31   9.041   7.668  -2.095
  243    HZ3  LYS  31           2HZ      LYS  31   8.040   7.312  -3.339
  244    H    LEU  32           H        LEU  32  10.671   1.104  -1.842
  245    HA   LEU  32           HA       LEU  32   9.010   0.466   0.477
  246    HB2  LEU  32           2HB      LEU  32  11.227  -0.651  -0.344
  247    HB3  LEU  32           3HB      LEU  32  12.038   0.722   0.399
  248    HG   LEU  32           HG       LEU  32  10.284  -1.359   1.785
  249   HD11  LEU  32          1HD1      LEU  32  13.293  -0.856   1.758
  250   HD12  LEU  32          2HD1      LEU  32  12.479  -2.025   2.799
  251   HD13  LEU  32          3HD1      LEU  32  12.431  -2.241   1.048
  252   HD21  LEU  32          3HD2      LEU  32  11.797   0.986   3.014
  253   HD22  LEU  32          1HD2      LEU  32  10.060   0.602   3.161
  254   HD23  LEU  32          2HD2      LEU  32  11.246  -0.438   3.928
  255    H    HIS  33           H        HIS  33   8.555   1.935   2.095
  256    HA   HIS  33           HA       HIS  33  10.292   4.242   2.592
  257    HB2  HIS  33           2HB      HIS  33   8.870   5.272   0.965
  258    HB3  HIS  33           3HB      HIS  33   7.421   4.505   1.620
  259    HD1  HIS  33           1HD      HIS  33   9.895   7.355   2.533
  260    HD2  HIS  33           2HD      HIS  33   6.148   5.732   3.573
  261    HE1  HIS  33           1HE      HIS  33   8.820   9.004   4.145
  262    H    ASP  34           H        ASP  34  10.419   4.465   4.743
  263    HA   ASP  34           HA       ASP  34  10.152   4.056   6.947
  264    HB2  ASP  34           2HB      ASP  34   8.733   5.990   6.496
  265    HB3  ASP  34           3HB      ASP  34   7.348   4.936   6.234
  266    H    GLU  35           H        GLU  35  10.286   1.710   5.785
  267    HA   GLU  35           HA       GLU  35   9.954  -0.476   5.929
  268    HB2  GLU  35           2HB      GLU  35   8.818   0.287   8.638
  269    HB3  GLU  35           3HB      GLU  35   9.021  -1.381   8.145
  270    HG2  GLU  35           2HG      GLU  35  11.263   0.672   8.302
  271    HG3  GLU  35           3HG      GLU  35  10.910  -0.569   9.501
  272    H    ARG  36           H        ARG  36   7.478   1.323   4.988
  273    HA   ARG  36           HA       ARG  36   5.721  -1.047   4.538
  274    HB2  ARG  36           2HB      ARG  36   5.176   1.949   4.317
  275    HB3  ARG  36           3HB      ARG  36   4.014   0.677   3.922
  276    HG2  ARG  36           2HG      ARG  36   4.058  -0.136   6.247
  277    HG3  ARG  36           3HG      ARG  36   5.231   1.102   6.691
  278    HD2  ARG  36           2HD      ARG  36   2.437   1.619   5.616
  279    HD3  ARG  36           3HD      ARG  36   2.898   1.676   7.323
  280    HE   ARG  36           HE       ARG  36   3.284   3.715   5.314
  281   HH11  ARG  36          1HH1      ARG  36   4.734   2.461   8.333
  282   HH12  ARG  36          2HH1      ARG  36   5.587   3.955   8.631
  283   HH21  ARG  36          1HH2      ARG  36   4.364   5.730   5.933
  284   HH22  ARG  36          2HH2      ARG  36   5.369   5.701   7.363
  285    H    VAL  37           H        VAL  37   4.584  -0.601   2.220
  286    HA   VAL  37           HA       VAL  37   6.615   0.371   0.308
  287    HB   VAL  37           HB       VAL  37   5.820  -1.325  -1.329
  288   HG11  VAL  37          1HG1      VAL  37   7.202  -2.429   1.140
  289   HG12  VAL  37          2HG1      VAL  37   7.225  -3.158  -0.472
  290   HG13  VAL  37          3HG1      VAL  37   7.983  -1.579  -0.209
  291   HG21  VAL  37          3HG2      VAL  37   3.719  -2.030  -0.176
  292   HG22  VAL  37          1HG2      VAL  37   4.758  -3.377  -0.614
  293   HG23  VAL  37          2HG2      VAL  37   4.689  -2.824   1.078
  294    H    LEU  38           H        LEU  38   5.810   1.819  -1.077
  295    HA   LEU  38           HA       LEU  38   2.924   2.512  -0.810
  296    HB2  LEU  38           2HB      LEU  38   5.438   4.174  -0.675
  297    HB3  LEU  38           3HB      LEU  38   4.010   4.863  -1.435
  298    HG   LEU  38           HG       LEU  38   2.675   4.525   0.595
  299   HD11  LEU  38          1HD1      LEU  38   3.723   2.648   1.697
  300   HD12  LEU  38          2HD1      LEU  38   5.272   3.506   1.832
  301   HD13  LEU  38          3HD1      LEU  38   3.854   4.040   2.763
  302   HD21  LEU  38          3HD2      LEU  38   3.765   6.299   1.918
  303   HD22  LEU  38          1HD2      LEU  38   5.291   6.032   1.041
  304   HD23  LEU  38          2HD2      LEU  38   3.859   6.646   0.190
  305    H    VAL  39           H        VAL  39   1.886   3.140  -2.653
  306    HA   VAL  39           HA       VAL  39   2.817   2.238  -5.219
  307    HB   VAL  39           HB       VAL  39   0.427   3.967  -4.433
  308   HG11  VAL  39          1HG1      VAL  39   0.939   4.119  -6.858
  309   HG12  VAL  39          2HG1      VAL  39   0.957   2.349  -6.968
  310   HG13  VAL  39          3HG1      VAL  39  -0.548   3.212  -6.579
  311   HG21  VAL  39          3HG2      VAL  39   0.339   1.744  -3.323
  312   HG22  VAL  39          1HG2      VAL  39  -0.884   1.877  -4.585
  313   HG23  VAL  39          2HG2      VAL  39   0.598   0.954  -4.891
  314    H    ALA  40           H        ALA  40   4.494   3.254  -6.133
  315    HA   ALA  40           HA       ALA  40   4.923   6.156  -5.844
  316    HB1  ALA  40           3HB      ALA  40   6.474   4.006  -7.379
  317    HB2  ALA  40           1HB      ALA  40   7.023   5.664  -7.051
  318    HB3  ALA  40           2HB      ALA  40   6.831   4.508  -5.719
  319    H    PHE  41           H        PHE  41   3.739   3.797  -8.200
  320    HA   PHE  41           HA       PHE  41   2.637   5.978  -9.793
  321    HB2  PHE  41           2HB      PHE  41   4.892   5.516 -10.831
  322    HB3  PHE  41           3HB      PHE  41   4.388   3.855 -11.098
  323    HD1  PHE  41           1HD      PHE  41   3.789   7.398 -12.059
  324    HD2  PHE  41           2HD      PHE  41   2.882   3.265 -12.923
  325    HE1  PHE  41           1HE      PHE  41   2.796   8.064 -14.234
  326    HE2  PHE  41           2HE      PHE  41   1.878   3.942 -15.086
  327    HZ   PHE  41           HZ       PHE  41   1.847   6.339 -15.756
  328    H    GLY  42           H        GLY  42   0.846   5.223 -11.019
  329    HA2  GLY  42           2HA      GLY  42  -0.030   2.585 -11.385
  330    HA3  GLY  42           3HA      GLY  42  -0.666   3.144  -9.817
  331    H    GLN  43           H        GLN  43  -0.049   4.968 -12.846
  332    HA   GLN  43           HA       GLN  43  -2.320   6.630 -12.356
  333    HB2  GLN  43           2HB      GLN  43   0.011   7.132 -13.384
  334    HB3  GLN  43           3HB      GLN  43  -0.675   6.554 -14.907
  335    HG2  GLN  43           2HG      GLN  43  -2.399   8.367 -14.756
  336    HG3  GLN  43           3HG      GLN  43  -1.727   8.856 -13.198
  337   HE21  GLN  43          2HE2      GLN  43   0.285  10.036 -13.158
  338   HE22  GLN  43          1HE2      GLN  43   1.012  10.658 -14.616
  339    H    ARG  44           H        ARG  44  -2.373   3.538 -13.785
  340    HA   ARG  44           HA       ARG  44  -4.826   4.282 -15.365
  341    HB2  ARG  44           2HB      ARG  44  -2.996   1.895 -15.805
  342    HB3  ARG  44           3HB      ARG  44  -4.439   2.275 -16.717
  343    HG2  ARG  44           2HG      ARG  44  -1.910   3.990 -16.720
  344    HG3  ARG  44           3HG      ARG  44  -2.296   2.740 -17.891
  345    HD2  ARG  44           2HD      ARG  44  -2.848   4.810 -18.907
  346    HD3  ARG  44           3HD      ARG  44  -4.376   3.993 -18.527
  347    HE   ARG  44           HE       ARG  44  -3.680   5.659 -16.346
  348   HH11  ARG  44          1HH1      ARG  44  -4.717   6.114 -19.714
  349   HH12  ARG  44          2HH1      ARG  44  -5.504   7.615 -19.394
  350   HH21  ARG  44          1HH2      ARG  44  -4.701   7.533 -15.909
  351   HH22  ARG  44          2HH2      ARG  44  -5.484   8.477 -17.142
  352    H    ASP  45           H        ASP  45  -3.328   1.942 -13.072
  353    HA   ASP  45           HA       ASP  45  -5.840   0.534 -12.683
  354    HB2  ASP  45           2HB      ASP  45  -3.633  -0.463 -12.148
  355    HB3  ASP  45           3HB      ASP  45  -3.431   0.717 -10.846
  356    H    GLY  46           H        GLY  46  -4.433   3.492 -11.386
  357    HA2  GLY  46           2HA      GLY  46  -6.890   4.245  -9.997
  358    HA3  GLY  46           3HA      GLY  46  -5.469   3.968  -8.969
  359    H    ILE  47           H        ILE  47  -5.277   6.213  -8.435
  360    HA   ILE  47           HA       ILE  47  -3.706   7.688 -10.366
  361    HB   ILE  47           HB       ILE  47  -5.922   8.352 -11.111
  362   HG12  ILE  47          2HG1      ILE  47  -5.808  10.786 -10.954
  363   HG13  ILE  47          3HG1      ILE  47  -4.629  10.684  -9.649
  364   HG21  ILE  47          1HG2      ILE  47  -7.525   9.576  -9.769
  365   HG22  ILE  47          2HG2      ILE  47  -7.231   8.000  -9.039
  366   HG23  ILE  47          3HG2      ILE  47  -6.496   9.463  -8.335
  367   HD11  ILE  47          3HD1      ILE  47  -4.209   9.605 -12.476
  368   HD12  ILE  47          1HD1      ILE  47  -3.618  11.168 -11.878
  369   HD13  ILE  47          2HD1      ILE  47  -2.986   9.669 -11.182
  370    H    ARG  48           H        ARG  48  -5.226   7.632  -7.104
  371    HA   ARG  48           HA       ARG  48  -3.451   9.684  -6.107
  372    HB2  ARG  48           2HB      ARG  48  -5.720   9.419  -5.246
  373    HB3  ARG  48           3HB      ARG  48  -5.330   7.814  -4.613
  374    HG2  ARG  48           2HG      ARG  48  -3.707   8.775  -3.053
  375    HG3  ARG  48           3HG      ARG  48  -3.893  10.381  -3.775
  376    HD2  ARG  48           2HD      ARG  48  -6.131  10.602  -2.933
  377    HD3  ARG  48           3HD      ARG  48  -6.200   8.889  -2.477
  378    HE   ARG  48           HE       ARG  48  -4.011  10.181  -1.163
  379   HH11  ARG  48          1HH1      ARG  48  -7.558  10.074  -0.973
  380   HH12  ARG  48          2HH1      ARG  48  -7.611  10.190   0.762
  381   HH21  ARG  48          1HH2      ARG  48  -4.077  10.357   1.111
  382   HH22  ARG  48          2HH2      ARG  48  -5.568  10.279   1.975
  383    H    VAL  49           H        VAL  49  -1.400   8.833  -6.736
  384    HA   VAL  49           HA       VAL  49  -0.193   6.515  -5.589
  385    HB   VAL  49           HB       VAL  49   1.949   7.857  -5.892
  386   HG11  VAL  49          1HG1      VAL  49   1.139   6.331  -7.607
  387   HG12  VAL  49          2HG1      VAL  49   0.095   7.599  -8.298
  388   HG13  VAL  49          3HG1      VAL  49   1.865   7.763  -8.344
  389   HG21  VAL  49          3HG2      VAL  49   1.928   9.925  -7.128
  390   HG22  VAL  49          1HG2      VAL  49   0.159   9.937  -7.227
  391   HG23  VAL  49          2HG2      VAL  49   0.972  10.151  -5.658
  392    H    GLY  50           H        GLY  50   1.424   6.522  -3.784
  393    HA2  GLY  50           2HA      GLY  50   2.097   7.219  -1.645
  394    HA3  GLY  50           3HA      GLY  50   0.789   8.405  -1.574
  395    H    HIS  51           H        HIS  51  -0.737   5.676  -2.709
  396    HA   HIS  51           HA       HIS  51  -1.845   4.843  -0.139
  397    HB2  HIS  51           2HB      HIS  51  -2.032   3.887  -3.018
  398    HB3  HIS  51           3HB      HIS  51  -2.497   2.802  -1.718
  399    HD1  HIS  51           1HD      HIS  51  -3.652   6.174  -3.211
  400    HD2  HIS  51           2HD      HIS  51  -4.787   3.125  -0.547
  401    HE1  HIS  51           1HE      HIS  51  -6.063   6.668  -2.510
  402    H    ALA  52           H        ALA  52  -1.469   2.623   0.727
  403    HA   ALA  52           HA       ALA  52   1.240   1.544   0.100
  404    HB1  ALA  52           3HB      ALA  52  -0.092   1.796   2.835
  405    HB2  ALA  52           1HB      ALA  52   1.491   1.062   2.501
  406    HB3  ALA  52           2HB      ALA  52   1.252   2.804   2.252
  407    H    VAL  53           H        VAL  53   1.433  -0.758   0.416
  408    HA   VAL  53           HA       VAL  53  -0.991  -2.283  -0.147
  409    HB   VAL  53           HB       VAL  53   1.768  -3.221   0.760
  410   HG11  VAL  53          1HG1      VAL  53  -0.612  -4.783  -0.334
  411   HG12  VAL  53          2HG1      VAL  53   1.030  -5.432  -0.145
  412   HG13  VAL  53          3HG1      VAL  53   0.109  -4.945   1.278
  413   HG21  VAL  53          3HG2      VAL  53   1.730  -2.108  -1.522
  414   HG22  VAL  53          1HG2      VAL  53   2.169  -3.820  -1.559
  415   HG23  VAL  53          2HG2      VAL  53   0.535  -3.325  -2.022
  416    H    LEU  54           H        LEU  54  -2.284  -3.296   1.331
  417    HA   LEU  54           HA       LEU  54  -1.788  -2.740   4.219
  418    HB2  LEU  54           2HB      LEU  54  -3.938  -1.903   2.431
  419    HB3  LEU  54           3HB      LEU  54  -4.591  -2.964   3.655
  420    HG   LEU  54           HG       LEU  54  -4.700  -0.570   4.233
  421   HD11  LEU  54          1HD1      LEU  54  -2.946  -2.189   6.112
  422   HD12  LEU  54          2HD1      LEU  54  -3.925  -0.763   6.542
  423   HD13  LEU  54          3HD1      LEU  54  -4.716  -2.253   6.009
  424   HD21  LEU  54          3HD2      LEU  54  -2.770   0.722   4.877
  425   HD22  LEU  54          1HD2      LEU  54  -1.668  -0.605   4.516
  426   HD23  LEU  54          2HD2      LEU  54  -2.565   0.182   3.203
  427    H    ALA  55           H        ALA  55  -3.131  -5.042   1.802
  428    HA   ALA  55           HA       ALA  55  -2.330  -7.154   3.664
  429    HB1  ALA  55           3HB      ALA  55  -5.154  -7.107   2.505
  430    HB2  ALA  55           1HB      ALA  55  -4.423  -8.419   3.441
  431    HB3  ALA  55           2HB      ALA  55  -4.744  -6.859   4.222
  432    H    ILE  56           H        ILE  56  -2.109  -9.211   2.580
  433    HA   ILE  56           HA       ILE  56  -2.396  -9.270  -0.366
  434    HB   ILE  56           HB       ILE  56   0.131 -10.164   1.088
  435   HG12  ILE  56          2HG1      ILE  56  -0.113  -8.036  -1.083
  436   HG13  ILE  56          3HG1      ILE  56   0.001  -7.667   0.638
  437   HG21  ILE  56          1HG2      ILE  56  -0.484 -11.729  -0.700
  438   HG22  ILE  56          2HG2      ILE  56  -0.731 -10.391  -1.840
  439   HG23  ILE  56          3HG2      ILE  56   0.892 -10.785  -1.238
  440   HD11  ILE  56          3HD1      ILE  56   2.199  -8.905   0.705
  441   HD12  ILE  56          1HD1      ILE  56   2.142  -8.986  -1.071
  442   HD13  ILE  56          2HD1      ILE  56   2.185  -7.420  -0.261
  443    H    ASN  57           H        ASN  57  -3.174 -11.265  -0.949
  444    HA   ASN  57           HA       ASN  57  -4.464 -13.094  -0.703
  445    HB2  ASN  57           2HB      ASN  57  -1.796 -13.997   0.409
  446    HB3  ASN  57           3HB      ASN  57  -3.102 -15.112   0.013
  447   HD21  ASN  57          2HD2      ASN  57  -0.446 -15.050  -1.296
  448   HD22  ASN  57          1HD2      ASN  57  -0.815 -14.789  -2.974
  449    H    GLY  58           H        GLY  58  -5.119 -11.304   1.263
  450    HA2  GLY  58           2HA      GLY  58  -6.832 -11.374   2.798
  451    HA3  GLY  58           3HA      GLY  58  -6.605 -13.116   2.996
  452    H    MET  59           H        MET  59  -3.627 -11.404   3.433
  453    HA   MET  59           HA       MET  59  -3.966 -11.410   6.405
  454    HB2  MET  59           2HB      MET  59  -1.542 -12.122   4.701
  455    HB3  MET  59           3HB      MET  59  -1.545 -11.975   6.454
  456    HG2  MET  59           2HG      MET  59  -3.132 -13.983   4.813
  457    HG3  MET  59           3HG      MET  59  -1.669 -14.319   5.726
  458    HE1  MET  59           3HE      MET  59  -1.495 -14.446   8.335
  459    HE2  MET  59           1HE      MET  59  -2.152 -12.806   8.558
  460    HE3  MET  59           2HE      MET  59  -2.849 -14.170   9.453
  461    H    ASP  60           H        ASP  60  -3.844  -9.432   7.217
  462    HA   ASP  60           HA       ASP  60  -3.036  -7.051   5.920
  463    HB2  ASP  60           2HB      ASP  60  -4.478  -7.043   7.859
  464    HB3  ASP  60           3HB      ASP  60  -3.243  -7.818   8.850
  465    H    VAL  61           H        VAL  61  -0.992  -6.138   5.595
  466    HA   VAL  61           HA       VAL  61   1.239  -7.984   6.146
  467    HB   VAL  61           HB       VAL  61   2.529  -6.583   4.595
  468   HG11  VAL  61          1HG1      VAL  61   1.408  -7.292   2.570
  469   HG12  VAL  61          2HG1      VAL  61   1.247  -8.549   3.805
  470   HG13  VAL  61          3HG1      VAL  61  -0.127  -7.496   3.435
  471   HG21  VAL  61          3HG2      VAL  61  -0.024  -5.043   4.013
  472   HG22  VAL  61          1HG2      VAL  61   1.367  -4.389   4.895
  473   HG23  VAL  61          2HG2      VAL  61   1.549  -4.879   3.215
  474    H    ASN  62           H        ASN  62   3.159  -7.453   7.119
  475    HA   ASN  62           HA       ASN  62   3.140  -5.332   9.170
  476    HB2  ASN  62           2HB      ASN  62   3.941  -7.569   9.844
  477    HB3  ASN  62           3HB      ASN  62   5.111  -7.564   8.521
  478   HD21  ASN  62          2HD2      ASN  62   6.953  -7.710   9.944
  479   HD22  ASN  62          1HD2      ASN  62   7.432  -6.377  10.959
  480    H    GLY  63           H        GLY  63   2.863  -3.978   7.087
  481    HA2  GLY  63           2HA      GLY  63   3.676  -2.425   5.621
  482    HA3  GLY  63           3HA      GLY  63   5.200  -2.488   6.521
  483    H    ARG  64           H        ARG  64   6.940  -3.354   5.477
  484    HA   ARG  64           HA       ARG  64   6.550  -4.310   2.732
  485    HB2  ARG  64           2HB      ARG  64   8.932  -4.091   2.452
  486    HB3  ARG  64           3HB      ARG  64   8.262  -2.614   3.120
  487    HG2  ARG  64           2HG      ARG  64   9.596  -2.648   4.871
  488    HG3  ARG  64           3HG      ARG  64   9.180  -4.300   5.310
  489    HD2  ARG  64           2HD      ARG  64  10.937  -5.216   3.998
  490    HD3  ARG  64           3HD      ARG  64  11.113  -3.741   3.037
  491    HE   ARG  64           HE       ARG  64  11.578  -3.208   5.820
  492   HH11  ARG  64          1HH1      ARG  64  13.268  -4.870   3.137
  493   HH12  ARG  64          2HH1      ARG  64  14.829  -4.336   3.663
  494   HH21  ARG  64          1HH2      ARG  64  13.563  -2.403   6.391
  495   HH22  ARG  64          2HH2      ARG  64  15.018  -2.983   5.629
  496    H    TYR  65           H        TYR  65   6.372  -5.870   5.621
  497    HA   TYR  65           HA       TYR  65   7.350  -8.385   4.335
  498    HB2  TYR  65           2HB      TYR  65   7.268  -7.714   7.291
  499    HB3  TYR  65           3HB      TYR  65   7.656  -9.291   6.614
  500    HD1  TYR  65           2HD      TYR  65   9.714  -9.586   5.179
  501    HD2  TYR  65           1HD      TYR  65   8.935  -5.942   7.355
  502    HE1  TYR  65           2HE      TYR  65  12.078  -8.922   4.896
  503    HE2  TYR  65           1HE      TYR  65  11.304  -5.258   7.058
  504    HH   TYR  65           HH       TYR  65  13.716  -7.355   5.406
  505    H    THR  66           H        THR  66   5.932 -10.220   4.467
  506    HA   THR  66           HA       THR  66   3.117  -9.603   4.805
  507    HB   THR  66           HB       THR  66   2.800 -12.030   4.465
  508    HG1  THR  66           1HG      THR  66   4.557 -13.326   4.067
  509   HG21  THR  66          3HG2      THR  66   3.612 -12.181   2.177
  510   HG22  THR  66          1HG2      THR  66   3.027 -10.542   2.499
  511   HG23  THR  66          2HG2      THR  66   4.781 -10.874   2.458
  512    H    ALA  67           H        ALA  67   1.821 -11.215   6.229
  513    HA   ALA  67           HA       ALA  67   2.423 -10.933   9.002
  514    HB1  ALA  67           3HB      ALA  67   0.692 -12.928   7.477
  515    HB2  ALA  67           1HB      ALA  67   0.623 -12.651   9.236
  516    HB3  ALA  67           2HB      ALA  67   0.160 -11.348   8.118
  517    H    ASP  68           H        ASP  68   3.078 -13.494   6.616
  518    HA   ASP  68           HA       ASP  68   4.194 -15.397   8.480
  519    HB2  ASP  68           2HB      ASP  68   3.251 -16.086   6.324
  520    HB3  ASP  68           3HB      ASP  68   4.478 -15.153   5.461
  521    H    GLY  69           H        GLY  69   5.573 -12.828   6.410
  522    HA2  GLY  69           2HA      GLY  69   7.445 -11.629   7.429
  523    HA3  GLY  69           3HA      GLY  69   8.211 -13.175   7.793
  524    H    LYS  70           H        LYS  70   6.718 -13.211   4.680
  525    HA   LYS  70           HA       LYS  70   9.251 -13.220   3.222
  526    HB2  LYS  70           2HB      LYS  70   6.328 -12.931   2.340
  527    HB3  LYS  70           3HB      LYS  70   7.670 -13.006   1.227
  528    HG2  LYS  70           2HG      LYS  70   6.806 -15.226   3.129
  529    HG3  LYS  70           3HG      LYS  70   6.475 -15.144   1.408
  530    HD2  LYS  70           2HD      LYS  70   9.142 -15.605   2.763
  531    HD3  LYS  70           3HD      LYS  70   8.237 -16.686   1.687
  532    HE2  LYS  70           2HE      LYS  70   8.640 -15.166  -0.224
  533    HE3  LYS  70           3HE      LYS  70   9.488 -14.034   0.835
  534    HZ1  LYS  70           3HZ      LYS  70  10.405 -16.735   0.086
  535    HZ2  LYS  70           1HZ      LYS  70  11.100 -15.283  -0.272
  536    HZ3  LYS  70           2HZ      LYS  70  11.115 -15.840   1.260
  537    H    GLU  71           H        GLU  71  10.154 -11.390   2.084
  538    HA   GLU  71           HA       GLU  71   9.121  -8.758   2.830
  539    HB2  GLU  71           2HB      GLU  71  11.560  -9.178   2.429
  540    HB3  GLU  71           3HB      GLU  71  11.201  -9.475   0.717
  541    HG2  GLU  71           2HG      GLU  71  10.281  -7.182   0.504
  542    HG3  GLU  71           3HG      GLU  71  10.487  -6.931   2.243
  543    H    VAL  72           H        VAL  72   7.466  -7.763   1.726
  544    HA   VAL  72           HA       VAL  72   5.905  -9.285  -0.022
  545    HB   VAL  72           HB       VAL  72   4.526  -7.321  -0.275
  546   HG11  VAL  72          1HG1      VAL  72   4.367  -8.610   1.806
  547   HG12  VAL  72          2HG1      VAL  72   5.551  -7.547   2.575
  548   HG13  VAL  72          3HG1      VAL  72   3.983  -6.904   2.069
  549   HG21  VAL  72          3HG2      VAL  72   6.827  -5.746   0.926
  550   HG22  VAL  72          1HG2      VAL  72   6.000  -5.495  -0.618
  551   HG23  VAL  72          2HG2      VAL  72   5.146  -5.177   0.898
  552    H    LEU  73           H        LEU  73   8.441  -6.921  -0.795
  553    HA   LEU  73           HA       LEU  73   7.742  -6.586  -3.554
  554    HB2  LEU  73           2HB      LEU  73  10.457  -6.384  -2.175
  555    HB3  LEU  73           3HB      LEU  73  10.115  -5.847  -3.816
  556    HG   LEU  73           HG       LEU  73   8.837  -4.711  -1.293
  557   HD11  LEU  73          1HD1      LEU  73  10.197  -2.719  -1.741
  558   HD12  LEU  73          2HD1      LEU  73  11.220  -4.141  -1.500
  559   HD13  LEU  73          3HD1      LEU  73  10.943  -3.522  -3.142
  560   HD21  LEU  73          3HD2      LEU  73   8.571  -3.854  -4.211
  561   HD22  LEU  73          1HD2      LEU  73   7.274  -4.452  -3.151
  562   HD23  LEU  73          2HD2      LEU  73   8.025  -2.890  -2.825
  563    H    GLU  74           H        GLU  74   9.800  -8.997  -1.856
  564    HA   GLU  74           HA       GLU  74  10.634 -10.313  -4.307
  565    HB2  GLU  74           2HB      GLU  74  11.898 -10.456  -2.150
  566    HB3  GLU  74           3HB      GLU  74  10.547 -11.342  -1.428
  567    HG2  GLU  74           2HG      GLU  74  10.831 -13.121  -3.190
  568    HG3  GLU  74           3HG      GLU  74  12.228 -12.242  -3.810
  569    H    TYR  75           H        TYR  75   8.104 -10.852  -1.811
  570    HA   TYR  75           HA       TYR  75   7.076 -13.262  -2.791
  571    HB2  TYR  75           2HB      TYR  75   6.561 -12.149  -0.601
  572    HB3  TYR  75           3HB      TYR  75   5.556 -10.986  -1.450
  573    HD1  TYR  75           2HD      TYR  75   5.974 -14.645  -0.803
  574    HD2  TYR  75           1HD      TYR  75   3.260 -11.489  -1.933
  575    HE1  TYR  75           2HE      TYR  75   4.090 -16.204  -0.553
  576    HE2  TYR  75           1HE      TYR  75   1.361 -13.043  -1.744
  577    HH   TYR  75           HH       TYR  75   1.765 -16.467  -0.675
  578    H    LEU  76           H        LEU  76   6.099  -9.915  -3.628
  579    HA   LEU  76           HA       LEU  76   4.038 -10.776  -5.488
  580    HB2  LEU  76           2HB      LEU  76   5.342  -8.090  -4.882
  581    HB3  LEU  76           3HB      LEU  76   4.009  -8.290  -6.008
  582    HG   LEU  76           HG       LEU  76   3.775  -9.124  -3.071
  583   HD11  LEU  76          1HD1      LEU  76   2.975  -6.487  -4.397
  584   HD12  LEU  76          2HD1      LEU  76   2.579  -6.977  -2.736
  585   HD13  LEU  76          3HD1      LEU  76   4.265  -6.703  -3.195
  586   HD21  LEU  76          3HD2      LEU  76   1.358  -8.950  -3.523
  587   HD22  LEU  76          1HD2      LEU  76   1.713  -8.582  -5.227
  588   HD23  LEU  76          2HD2      LEU  76   2.139 -10.165  -4.540
  589    H    GLY  77           H        GLY  77   7.469  -9.722  -5.731
  590    HA2  GLY  77           2HA      GLY  77   7.494  -9.409  -8.570
  591    HA3  GLY  77           3HA      GLY  77   8.885  -9.642  -7.498
  592    H    ASN  78           H        ASN  78   7.963 -12.229  -6.445
  593    HA   ASN  78           HA       ASN  78   9.253 -14.033  -8.085
  594    HB2  ASN  78           2HB      ASN  78   8.780 -14.461  -5.747
  595    HB3  ASN  78           3HB      ASN  78   7.042 -14.486  -6.058
  596   HD21  ASN  78          2HD2      ASN  78   7.487 -16.632  -4.818
  597   HD22  ASN  78          1HD2      ASN  78   7.801 -18.024  -5.821
  598    HA   PRO  79           HA       PRO  79   6.132 -14.213 -11.287
  599    HB2  PRO  79           2HB      PRO  79   7.321 -15.867 -13.120
  600    HB3  PRO  79           3HB      PRO  79   7.775 -14.154 -12.849
  601    HG2  PRO  79           2HG      PRO  79   9.074 -16.635 -11.671
  602    HG3  PRO  79           3HG      PRO  79   9.876 -15.244 -12.471
  603    HD2  PRO  79           2HD      PRO  79   9.683 -15.424  -9.765
  604    HD3  PRO  79           3HD      PRO  79   9.519 -13.847 -10.596
  605    H    ALA  80           H        ALA  80   7.192 -16.988  -9.430
  606    HA   ALA  80           HA       ALA  80   5.218 -18.857 -10.413
  607    HB1  ALA  80           3HB      ALA  80   6.532 -18.697  -7.667
  608    HB2  ALA  80           1HB      ALA  80   5.754 -20.112  -8.394
  609    HB3  ALA  80           2HB      ALA  80   7.262 -19.486  -9.091
  610    H    ASN  81           H        ASN  81   4.891 -15.922  -8.653
  611    HA   ASN  81           HA       ASN  81   2.311 -16.739  -7.409
  612    HB2  ASN  81           2HB      ASN  81   4.247 -16.618  -5.814
  613    HB3  ASN  81           3HB      ASN  81   4.510 -14.945  -6.313
  614   HD21  ASN  81          2HD2      ASN  81   3.991 -13.790  -4.557
  615   HD22  ASN  81          1HD2      ASN  81   2.535 -13.968  -3.597
  616    H    TYR  82           H        TYR  82   2.766 -15.536 -10.048
  617    HA   TYR  82           HA       TYR  82   2.302 -12.755 -10.110
  618    HB2  TYR  82           2HB      TYR  82   1.903 -15.078 -11.967
  619    HB3  TYR  82           3HB      TYR  82   0.904 -13.679 -12.276
  620    HD1  TYR  82           2HD      TYR  82   4.303 -12.988 -10.946
  621    HD2  TYR  82           1HD      TYR  82   1.874 -13.505 -14.483
  622    HE1  TYR  82           2HE      TYR  82   6.021 -11.847 -12.287
  623    HE2  TYR  82           1HE      TYR  82   3.582 -12.345 -15.827
  624    HH   TYR  82           HH       TYR  82   6.643 -11.088 -14.409
  625    HA   PRO  83           HA       PRO  83  -2.350 -13.196  -9.757
  626    HB2  PRO  83           2HB      PRO  83  -3.602 -15.498  -8.977
  627    HB3  PRO  83           3HB      PRO  83  -3.212 -15.121 -10.682
  628    HG2  PRO  83           2HG      PRO  83  -1.670 -16.885  -8.764
  629    HG3  PRO  83           3HG      PRO  83  -2.100 -17.207 -10.471
  630    HD2  PRO  83           2HD      PRO  83   0.350 -16.262  -9.702
  631    HD3  PRO  83           3HD      PRO  83  -0.394 -15.811 -11.264
  632    H    VAL  84           H        VAL  84  -2.824 -12.070  -7.897
  633    HA   VAL  84           HA       VAL  84  -2.494 -13.315  -5.244
  634    HB   VAL  84           HB       VAL  84  -1.324 -10.987  -4.627
  635   HG11  VAL  84          1HG1      VAL  84   0.265 -13.350  -5.666
  636   HG12  VAL  84          2HG1      VAL  84   0.851 -12.085  -4.572
  637   HG13  VAL  84          3HG1      VAL  84  -0.430 -13.171  -4.042
  638   HG21  VAL  84          3HG2      VAL  84  -1.210 -10.200  -7.037
  639   HG22  VAL  84          1HG2      VAL  84   0.334 -10.214  -6.177
  640   HG23  VAL  84          2HG2      VAL  84  -0.019 -11.494  -7.324
  641    H    SER  85           H        SER  85  -3.993 -12.511  -3.804
  642    HA   SER  85           HA       SER  85  -5.793 -10.350  -4.751
  643    HB2  SER  85           2HB      SER  85  -5.900 -12.066  -2.244
  644    HB3  SER  85           3HB      SER  85  -7.143 -10.928  -2.799
  645    HG   SER  85           HG       SER  85  -7.494 -12.236  -4.605
  646    H    ILE  86           H        ILE  86  -5.588  -8.248  -3.842
  647    HA   ILE  86           HA       ILE  86  -3.704  -7.913  -1.600
  648    HB   ILE  86           HB       ILE  86  -3.459  -6.242  -4.126
  649   HG12  ILE  86          2HG1      ILE  86  -1.684  -8.594  -3.349
  650   HG13  ILE  86          3HG1      ILE  86  -2.750  -8.499  -4.757
  651   HG21  ILE  86          1HG2      ILE  86  -2.694  -5.151  -2.032
  652   HG22  ILE  86          2HG2      ILE  86  -1.610  -6.514  -1.722
  653   HG23  ILE  86          3HG2      ILE  86  -1.350  -5.442  -3.101
  654   HD11  ILE  86          3HD1      ILE  86  -0.202  -6.953  -4.297
  655   HD12  ILE  86          1HD1      ILE  86  -0.600  -8.098  -5.584
  656   HD13  ILE  86          2HD1      ILE  86  -1.393  -6.514  -5.556
  657    H    ARG  87           H        ARG  87  -4.161  -6.019  -0.428
  658    HA   ARG  87           HA       ARG  87  -6.399  -4.333  -1.406
  659    HB2  ARG  87           2HB      ARG  87  -6.086  -5.307   1.468
  660    HB3  ARG  87           3HB      ARG  87  -7.111  -3.968   0.951
  661    HG2  ARG  87           2HG      ARG  87  -8.336  -5.567  -0.593
  662    HG3  ARG  87           3HG      ARG  87  -7.395  -6.887   0.117
  663    HD2  ARG  87           2HD      ARG  87  -9.553  -6.793   1.200
  664    HD3  ARG  87           3HD      ARG  87  -8.309  -6.299   2.364
  665    HE   ARG  87           HE       ARG  87  -9.410  -4.014   0.980
  666   HH11  ARG  87          1HH1      ARG  87 -10.294  -6.331   3.533
  667   HH12  ARG  87          2HH1      ARG  87 -11.332  -5.225   4.355
  668   HH21  ARG  87          1HH2      ARG  87 -10.696  -2.576   2.053
  669   HH22  ARG  87          2HH2      ARG  87 -11.593  -3.009   3.479
  670    H    PHE  88           H        PHE  88  -6.046  -2.194  -1.036
  671    HA   PHE  88           HA       PHE  88  -3.352  -1.389  -0.069
  672    HB2  PHE  88           2HB      PHE  88  -4.937  -0.508  -2.526
  673    HB3  PHE  88           3HB      PHE  88  -3.645   0.449  -1.833
  674    HD1  PHE  88           2HD      PHE  88  -4.363  -2.818  -3.554
  675    HD2  PHE  88           1HD      PHE  88  -1.353  -0.021  -2.213
  676    HE1  PHE  88           2HE      PHE  88  -2.666  -3.966  -4.939
  677    HE2  PHE  88           1HE      PHE  88   0.336  -1.194  -3.586
  678    HZ   PHE  88           HZ       PHE  88  -0.311  -3.173  -4.950
  679    H    GLY  89           H        GLY  89  -3.390   0.756   0.888
  680    HA2  GLY  89           2HA      GLY  89  -5.999   1.983   1.465
  681    HA3  GLY  89           3HA      GLY  89  -5.193   1.169   2.825
  682    H    ARG  90           H        ARG  90  -5.507   3.580   3.405
  683    HA   ARG  90           HA       ARG  90  -3.381   5.393   2.519
  684    HB2  ARG  90           2HB      ARG  90  -4.956   5.450   5.132
  685    HB3  ARG  90           3HB      ARG  90  -4.158   6.801   4.329
  686    HG2  ARG  90           2HG      ARG  90  -6.736   5.396   3.526
  687    HG3  ARG  90           3HG      ARG  90  -6.514   7.035   4.106
  688    HD2  ARG  90           2HD      ARG  90  -5.138   7.477   1.986
  689    HD3  ARG  90           3HD      ARG  90  -5.698   5.900   1.402
  690    HE   ARG  90           HE       ARG  90  -7.336   8.339   1.956
  691   HH11  ARG  90          1HH1      ARG  90  -7.243   5.185   0.279
  692   HH12  ARG  90          2HH1      ARG  90  -8.978   5.057   0.215
  693   HH21  ARG  90          1HH2      ARG  90  -9.394   8.436   1.352
  694   HH22  ARG  90          2HH2      ARG  90 -10.169   7.181   0.410
  695    HA   PRO  91           HA       PRO  91  -0.232   3.707   5.314
  696    HB2  PRO  91           2HB      PRO  91   0.067   6.548   6.324
  697    HB3  PRO  91           3HB      PRO  91   1.349   5.397   5.836
  698    HG2  PRO  91           2HG      PRO  91   0.613   7.409   4.173
  699    HG3  PRO  91           3HG      PRO  91   0.892   5.764   3.515
  700    HD2  PRO  91           2HD      PRO  91  -1.744   7.095   4.188
  701    HD3  PRO  91           3HD      PRO  91  -1.297   6.123   2.748
  702    H    ARG  92           H        ARG  92   0.075   3.480   7.768
  703    HA   ARG  92           HA       ARG  92  -2.437   3.012   8.944
  704    HB2  ARG  92           2HB      ARG  92   0.213   3.283  10.419
  705    HB3  ARG  92           3HB      ARG  92  -1.225   2.449  10.996
  706    HG2  ARG  92           2HG      ARG  92   0.545   1.610   8.661
  707    HG3  ARG  92           3HG      ARG  92   0.419   0.851  10.246
  708    HD2  ARG  92           2HD      ARG  92  -2.002   0.345   9.728
  709    HD3  ARG  92           3HD      ARG  92  -1.718   0.901   8.071
  710    HE   ARG  92           HE       ARG  92   0.278  -0.890   8.383
  711   HH11  ARG  92          1HH1      ARG  92  -3.244  -1.252   8.940
  712   HH12  ARG  92          2HH1      ARG  92  -3.162  -2.999   8.736
  713   HH21  ARG  92          1HH2      ARG  92   0.252  -3.230   8.177
  714   HH22  ARG  92          2HH2      ARG  92  -1.200  -4.075   8.534
  715    H    LEU  93           H        LEU  93  -0.720   6.005   8.921
  716    HA   LEU  93           HA       LEU  93  -1.846   7.352  11.131
  717    HB2  LEU  93           2HB      LEU  93  -0.008   8.174   9.685
  718    HB3  LEU  93           3HB      LEU  93  -1.137   8.350   8.340
  719    HG   LEU  93           HG       LEU  93  -2.325  10.153   9.520
  720   HD11  LEU  93          1HD1      LEU  93  -2.034   9.488  11.877
  721   HD12  LEU  93          2HD1      LEU  93  -0.275   9.721  11.748
  722   HD13  LEU  93          3HD1      LEU  93  -1.382  11.106  11.628
  723   HD21  LEU  93          3HD2      LEU  93   0.692  10.559   9.508
  724   HD22  LEU  93          1HD2      LEU  93  -0.389  10.696   8.105
  725   HD23  LEU  93          2HD2      LEU  93  -0.547  11.834   9.449
  726    H    THR  94           H        THR  94  -3.433   6.101   8.287
  727    HA   THR  94           HA       THR  94  -5.543   6.073   7.608
  728    HB   THR  94           HB       THR  94  -6.324   7.152  10.340
  729    HG1  THR  94           1HG      THR  94  -4.814   5.335  10.314
  730   HG21  THR  94          3HG2      THR  94  -7.734   5.240   8.424
  731   HG22  THR  94          1HG2      THR  94  -8.291   5.675  10.052
  732   HG23  THR  94          2HG2      THR  94  -8.249   6.900   8.781
  733    H    SER  95           H        SER  95  -4.036   8.069   6.679
  734    HA   SER  95           HA       SER  95  -5.225  10.650   6.649
  735    HB2  SER  95           2HB      SER  95  -3.429   9.358   4.561
  736    HB3  SER  95           3HB      SER  95  -3.576  11.080   4.960
  737    HG   SER  95           HG       SER  95  -1.726  10.144   5.904
  738    H    ASN  96           H        ASN  96  -7.485   9.430   6.367
  739    HA   ASN  96           HA       ASN  96  -8.360   8.223   4.035
  740    HB2  ASN  96           2HB      ASN  96  -9.733   8.340   6.049
  741    HB3  ASN  96           3HB      ASN  96  -9.963  10.081   5.816
  742   HD21  ASN  96          2HD2      ASN  96 -11.618  10.749   4.379
  743   HD22  ASN  96          1HD2      ASN  96 -12.534   9.642   3.390
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1 -11.457  -7.615 -20.128
    2    H2   MET   1           H2       MET   1 -10.290  -6.541 -19.697
    3    H3   MET   1           H3       MET   1 -10.044  -8.152 -19.512
    4    HA   MET   1           HA       MET   1 -10.492  -7.167 -17.396
    5    HB2  MET   1           2HB      MET   1 -11.843  -5.279 -18.304
    6    HB3  MET   1           3HB      MET   1 -13.186  -6.385 -18.608
    7    HG2  MET   1           2HG      MET   1 -13.440  -6.804 -16.220
    8    HG3  MET   1           3HG      MET   1 -11.953  -5.920 -15.869
    9    HE1  MET   1           3HE      MET   1 -14.506  -5.341 -14.219
   10    HE2  MET   1           1HE      MET   1 -13.036  -4.354 -14.024
   11    HE3  MET   1           2HE      MET   1 -14.610  -3.567 -14.243
   12    H    GLY   2           H        GLY   2 -11.219  -8.670 -15.823
   13    HA2  GLY   2           2HA      GLY   2 -13.229 -10.666 -16.355
   14    HA3  GLY   2           3HA      GLY   2 -11.602 -11.298 -16.645
   15    H    HIS   3           H        HIS   3 -12.616 -12.670 -14.815
   16    HA   HIS   3           HA       HIS   3 -13.197 -11.721 -12.291
   17    HB2  HIS   3           2HB      HIS   3 -13.635 -13.984 -13.453
   18    HB3  HIS   3           3HB      HIS   3 -12.058 -14.480 -12.851
   19    HD1  HIS   3           1HD      HIS   3 -12.414 -13.270  -9.845
   20    HD2  HIS   3           2HD      HIS   3 -15.187 -15.526 -12.063
   21    HE1  HIS   3           1HE      HIS   3 -13.963 -14.382  -8.139
   22    H    HIS   4           H        HIS   4  -9.959 -12.175 -13.569
   23    HA   HIS   4           HA       HIS   4  -8.882 -11.446 -10.888
   24    HB2  HIS   4           2HB      HIS   4  -8.505 -13.898 -11.745
   25    HB3  HIS   4           3HB      HIS   4  -7.317 -13.165 -12.821
   26    HD1  HIS   4           1HD      HIS   4  -5.348 -11.658 -11.327
   27    HD2  HIS   4           2HD      HIS   4  -7.762 -14.477  -9.337
   28    HE1  HIS   4           1HE      HIS   4  -4.216 -12.136  -9.110
   29    H    HIS   5           H        HIS   5  -9.694 -10.017 -13.492
   30    HA   HIS   5           HA       HIS   5  -7.305  -8.325 -13.859
   31    HB2  HIS   5           2HB      HIS   5  -8.834  -9.723 -16.106
   32    HB3  HIS   5           3HB      HIS   5  -7.779  -8.335 -16.343
   33    HD1  HIS   5           1HD      HIS   5  -5.838 -10.306 -14.003
   34    HD2  HIS   5           2HD      HIS   5  -6.905 -10.575 -18.065
   35    HE1  HIS   5           1HE      HIS   5  -4.069 -11.769 -15.114
   36    H    HIS   6           H        HIS   6  -9.272  -7.707 -12.194
   37    HA   HIS   6           HA       HIS   6 -11.531  -6.364 -13.396
   38    HB2  HIS   6           2HB      HIS   6 -10.251  -6.170 -10.642
   39    HB3  HIS   6           3HB      HIS   6 -11.727  -5.329 -11.120
   40    HD1  HIS   6           1HD      HIS   6 -10.557  -8.712  -9.908
   41    HD2  HIS   6           2HD      HIS   6 -13.928  -6.908 -11.686
   42    HE1  HIS   6           1HE      HIS   6 -12.519 -10.292  -9.513
   43    H    HIS   7           H        HIS   7 -10.625  -5.093 -15.049
   44    HA   HIS   7           HA       HIS   7  -8.533  -3.244 -14.838
   45    HB2  HIS   7           2HB      HIS   7  -9.695  -4.071 -16.926
   46    HB3  HIS   7           3HB      HIS   7 -11.043  -2.998 -16.551
   47    HD1  HIS   7           1HD      HIS   7  -7.273  -2.777 -17.461
   48    HD2  HIS   7           2HD      HIS   7 -10.824  -0.512 -17.424
   49    HE1  HIS   7           1HE      HIS   7  -6.744  -0.588 -18.651
   50    H    HIS   8           H        HIS   8  -8.690  -0.893 -14.887
   51    HA   HIS   8           HA       HIS   8  -9.725   0.204 -12.517
   52    HB2  HIS   8           2HB      HIS   8  -8.729   1.678 -14.963
   53    HB3  HIS   8           3HB      HIS   8  -8.590   2.193 -13.277
   54    HD1  HIS   8           1HD      HIS   8  -6.749   0.656 -11.768
   55    HD2  HIS   8           2HD      HIS   8  -6.718   0.371 -15.962
   56    HE1  HIS   8           1HE      HIS   8  -4.647  -0.647 -12.385
   57    H    LEU   9           H        LEU   9 -11.763  -0.610 -14.713
   58    HA   LEU   9           HA       LEU   9 -13.011   1.603 -15.910
   59    HB2  LEU   9           2HB      LEU   9 -13.240  -0.813 -16.537
   60    HB3  LEU   9           3HB      LEU   9 -14.183  -1.085 -15.073
   61    HG   LEU   9           HG       LEU   9 -15.984   0.368 -15.931
   62   HD11  LEU   9          1HD1      LEU   9 -14.706   1.969 -17.330
   63   HD12  LEU   9          2HD1      LEU   9 -14.237   0.652 -18.423
   64   HD13  LEU   9          3HD1      LEU   9 -15.935   1.157 -18.294
   65   HD21  LEU   9          3HD2      LEU   9 -15.086  -1.713 -17.970
   66   HD22  LEU   9          1HD2      LEU   9 -15.971  -2.047 -16.469
   67   HD23  LEU   9          2HD2      LEU   9 -16.738  -1.093 -17.747
   68    H    ASP  10           H        ASP  10 -15.007   2.630 -15.449
   69    HA   ASP  10           HA       ASP  10 -15.288   3.757 -12.927
   70    HB2  ASP  10           2HB      ASP  10 -15.970   4.725 -15.105
   71    HB3  ASP  10           3HB      ASP  10 -17.306   3.575 -15.194
   72    H    SER  11           H        SER  11 -16.322   0.613 -13.710
   73    HA   SER  11           HA       SER  11 -18.644   0.175 -12.244
   74    HB2  SER  11           2HB      SER  11 -16.216  -1.649 -12.330
   75    HB3  SER  11           3HB      SER  11 -17.926  -2.105 -12.218
   76    HG   SER  11           HG       SER  11 -17.268  -2.375 -14.328
   77    H    TYR  12           H        TYR  12 -15.485   1.129 -11.034
   78    HA   TYR  12           HA       TYR  12 -16.634   1.244  -8.358
   79    HB2  TYR  12           2HB      TYR  12 -14.897   0.200  -7.192
   80    HB3  TYR  12           3HB      TYR  12 -15.309  -0.932  -8.458
   81    HD1  TYR  12           1HD      TYR  12 -13.804  -0.939 -10.603
   82    HD2  TYR  12           2HD      TYR  12 -12.655   0.929  -6.880
   83    HE1  TYR  12           1HE      TYR  12 -11.438  -1.002 -11.298
   84    HE2  TYR  12           2HE      TYR  12 -10.290   0.851  -7.566
   85    HH   TYR  12           HH       TYR  12  -8.774   0.318  -9.288
   86    H    ALA  13           H        ALA  13 -15.226   2.641  -6.969
   87    HA   ALA  13           HA       ALA  13 -13.619   4.643  -8.424
   88    HB1  ALA  13           3HB      ALA  13 -16.077   5.316  -6.754
   89    HB2  ALA  13           1HB      ALA  13 -14.961   6.479  -7.501
   90    HB3  ALA  13           2HB      ALA  13 -15.953   5.427  -8.526
   91    HA   PRO  14           HA       PRO  14 -12.948   4.832  -3.543
   92    HB2  PRO  14           2HB      PRO  14 -12.740   1.811  -3.368
   93    HB3  PRO  14           3HB      PRO  14 -13.034   2.990  -2.044
   94    HG2  PRO  14           2HG      PRO  14 -15.123   1.689  -3.135
   95    HG3  PRO  14           3HG      PRO  14 -15.242   3.462  -2.878
   96    HD2  PRO  14           2HD      PRO  14 -14.606   1.960  -5.417
   97    HD3  PRO  14           3HD      PRO  14 -15.698   3.364  -5.180
   98    H    ARG  15           H        ARG  15 -10.846   4.723  -2.615
   99    HA   ARG  15           HA       ARG  15  -8.712   3.464  -4.224
  100    HB2  ARG  15           2HB      ARG  15  -7.411   5.482  -4.390
  101    HB3  ARG  15           3HB      ARG  15  -8.954   5.706  -5.178
  102    HG2  ARG  15           2HG      ARG  15  -8.170   6.795  -2.437
  103    HG3  ARG  15           3HG      ARG  15  -8.149   7.693  -3.944
  104    HD2  ARG  15           2HD      ARG  15 -10.582   6.710  -2.427
  105    HD3  ARG  15           3HD      ARG  15 -10.059   8.358  -2.696
  106    HE   ARG  15           HE       ARG  15 -10.967   6.542  -4.914
  107   HH11  ARG  15          1HH1      ARG  15 -11.070   9.775  -3.423
  108   HH12  ARG  15          2HH1      ARG  15 -12.204  10.394  -4.563
  109   HH21  ARG  15          1HH2      ARG  15 -12.503   7.314  -6.319
  110   HH22  ARG  15          2HH2      ARG  15 -13.009   8.975  -6.290
  111    H    ALA  16           H        ALA  16 -10.006   3.854  -1.199
  112    HA   ALA  16           HA       ALA  16  -7.571   2.841   0.014
  113    HB1  ALA  16           3HB      ALA  16  -7.852   4.386   1.991
  114    HB2  ALA  16           1HB      ALA  16  -7.425   5.277   0.512
  115    HB3  ALA  16           2HB      ALA  16  -9.101   5.269   1.100
  116    H    GLU  17           H        GLU  17  -8.097   1.560   1.856
  117    HA   GLU  17           HA       GLU  17  -9.232  -0.065   2.851
  118    HB2  GLU  17           2HB      GLU  17 -11.517   1.940   3.031
  119    HB3  GLU  17           3HB      GLU  17 -11.413   0.402   3.898
  120    HG2  GLU  17           2HG      GLU  17  -9.306   1.170   4.990
  121    HG3  GLU  17           3HG      GLU  17  -9.473   2.735   4.193
  122    H    ALA  18           H        ALA  18  -8.904  -0.373   0.257
  123    HA   ALA  18           HA       ALA  18 -11.354  -1.685  -0.755
  124    HB1  ALA  18           3HB      ALA  18 -10.974  -0.675  -2.987
  125    HB2  ALA  18           1HB      ALA  18 -11.322   0.572  -1.773
  126    HB3  ALA  18           2HB      ALA  18  -9.653   0.308  -2.324
  127    H    GLU  19           H        GLU  19 -10.775  -3.187  -2.558
  128    HA   GLU  19           HA       GLU  19  -8.051  -4.296  -2.319
  129    HB2  GLU  19           2HB      GLU  19  -9.509  -5.238  -0.527
  130    HB3  GLU  19           3HB      GLU  19 -10.676  -5.747  -1.746
  131    HG2  GLU  19           2HG      GLU  19  -8.982  -7.289  -2.716
  132    HG3  GLU  19           3HG      GLU  19  -7.816  -6.772  -1.496
  133    H    LYS  20           H        LYS  20  -7.413  -5.482  -4.143
  134    HA   LYS  20           HA       LYS  20  -9.296  -5.751  -6.433
  135    HB2  LYS  20           2HB      LYS  20  -6.690  -4.162  -6.332
  136    HB3  LYS  20           3HB      LYS  20  -7.409  -4.681  -7.840
  137    HG2  LYS  20           2HG      LYS  20  -8.665  -2.760  -5.831
  138    HG3  LYS  20           3HG      LYS  20  -7.859  -2.312  -7.321
  139    HD2  LYS  20           2HD      LYS  20 -10.483  -3.822  -7.039
  140    HD3  LYS  20           3HD      LYS  20 -10.257  -2.191  -7.630
  141    HE2  LYS  20           2HE      LYS  20  -9.385  -4.777  -8.994
  142    HE3  LYS  20           3HE      LYS  20 -10.719  -3.726  -9.466
  143    HZ1  LYS  20           3HZ      LYS  20  -7.846  -3.010  -9.607
  144    HZ2  LYS  20           1HZ      LYS  20  -8.836  -3.355 -10.862
  145    HZ3  LYS  20           2HZ      LYS  20  -9.082  -1.994  -9.983
  146    H    THR  21           H        THR  21  -8.630  -7.327  -7.944
  147    HA   THR  21           HA       THR  21  -6.550  -9.235  -7.179
  148    HB   THR  21           HB       THR  21  -7.253 -10.193  -9.450
  149    HG1  THR  21           1HG      THR  21  -8.099  -8.152 -10.200
  150   HG21  THR  21          3HG2      THR  21  -9.452 -11.007  -8.670
  151   HG22  THR  21          1HG2      THR  21  -8.243 -11.062  -7.378
  152   HG23  THR  21          2HG2      THR  21  -9.469  -9.775  -7.392
  153    H    PHE  22           H        PHE  22  -4.491  -9.357  -8.243
  154    HA   PHE  22           HA       PHE  22  -4.012  -7.630 -10.578
  155    HB2  PHE  22           2HB      PHE  22  -2.257  -7.578  -8.086
  156    HB3  PHE  22           3HB      PHE  22  -1.833  -6.869  -9.632
  157    HD1  PHE  22           2HD      PHE  22  -3.777  -5.191 -10.612
  158    HD2  PHE  22           1HD      PHE  22  -2.998  -6.060  -6.465
  159    HE1  PHE  22           2HE      PHE  22  -4.768  -3.011  -9.969
  160    HE2  PHE  22           1HE      PHE  22  -3.954  -3.869  -5.825
  161    HZ   PHE  22           HZ       PHE  22  -4.850  -2.337  -7.572
  162    H    SER  23           H        SER  23  -2.230  -8.307 -11.792
  163    HA   SER  23           HA       SER  23  -0.638 -10.619 -11.063
  164    HB2  SER  23           2HB      SER  23  -2.167 -10.567 -13.701
  165    HB3  SER  23           3HB      SER  23  -1.062 -11.823 -13.121
  166    HG   SER  23           HG       SER  23  -3.169 -12.498 -12.791
  167    H    TYR  24           H        TYR  24   1.073 -10.753 -13.118
  168    HA   TYR  24           HA       TYR  24   1.717  -7.962 -13.894
  169    HB2  TYR  24           2HB      TYR  24   3.565  -9.927 -12.524
  170    HB3  TYR  24           3HB      TYR  24   4.018  -8.322 -13.055
  171    HD1  TYR  24           1HD      TYR  24   2.659  -6.309 -12.020
  172    HD2  TYR  24           2HD      TYR  24   2.812 -10.271 -10.333
  173    HE1  TYR  24           1HE      TYR  24   1.836  -5.412  -9.859
  174    HE2  TYR  24           2HE      TYR  24   1.969  -9.398  -8.171
  175    HH   TYR  24           HH       TYR  24   1.222  -7.509  -7.014
  176    HA   PRO  25           HA       PRO  25   4.084  -7.249 -14.919
  177    HB2  PRO  25           2HB      PRO  25   4.415  -6.203 -17.421
  178    HB3  PRO  25           3HB      PRO  25   5.543  -7.383 -16.685
  179    HG2  PRO  25           2HG      PRO  25   3.271  -7.936 -18.617
  180    HG3  PRO  25           3HG      PRO  25   4.964  -8.523 -18.700
  181    HD2  PRO  25           2HD      PRO  25   2.965 -10.054 -17.668
  182    HD3  PRO  25           3HD      PRO  25   4.605 -10.080 -16.958
  183    H    LEU  26           H        LEU  26   3.285  -5.054 -15.037
  184    HA   LEU  26           HA       LEU  26   0.641  -4.494 -16.112
  185    HB2  LEU  26           2HB      LEU  26   0.206  -5.873 -14.062
  186    HB3  LEU  26           3HB      LEU  26   1.166  -4.744 -13.108
  187    HG   LEU  26           HG       LEU  26  -0.506  -2.978 -13.498
  188   HD11  LEU  26          1HD1      LEU  26  -1.408  -3.612 -15.705
  189   HD12  LEU  26          2HD1      LEU  26  -2.066  -5.111 -15.015
  190   HD13  LEU  26          3HD1      LEU  26  -2.698  -3.532 -14.503
  191   HD21  LEU  26          3HD2      LEU  26  -1.785  -5.559 -12.527
  192   HD22  LEU  26          1HD2      LEU  26  -0.710  -4.534 -11.562
  193   HD23  LEU  26          2HD2      LEU  26  -2.271  -3.898 -12.108
  194    H    ASP  27           H        ASP  27   0.185  -2.170 -15.842
  195    HA   ASP  27           HA       ASP  27   2.486  -0.470 -15.853
  196    HB2  ASP  27           2HB      ASP  27   0.440   0.045 -17.092
  197    HB3  ASP  27           3HB      ASP  27  -0.478   0.151 -15.587
  198    H    LEU  28           H        LEU  28   0.226  -1.405 -13.316
  199    HA   LEU  28           HA       LEU  28   0.844   0.511 -11.313
  200    HB2  LEU  28           2HB      LEU  28  -1.046  -1.268 -11.385
  201    HB3  LEU  28           3HB      LEU  28   0.190  -2.428 -10.910
  202    HG   LEU  28           HG       LEU  28   0.628  -0.831  -8.874
  203   HD11  LEU  28          1HD1      LEU  28  -1.437   0.431  -8.200
  204   HD12  LEU  28          2HD1      LEU  28  -0.664   1.109  -9.640
  205   HD13  LEU  28          3HD1      LEU  28  -2.131   0.118  -9.796
  206   HD21  LEU  28          3HD2      LEU  28  -0.378  -3.057  -8.670
  207   HD22  LEU  28          1HD2      LEU  28  -1.189  -1.908  -7.597
  208   HD23  LEU  28          2HD2      LEU  28  -1.962  -2.400  -9.121
  209    H    LEU  29           H        LEU  29   2.530   0.578  -9.773
  210    HA   LEU  29           HA       LEU  29   4.303  -1.736  -9.455
  211    HB2  LEU  29           2HB      LEU  29   5.322  -0.356 -11.297
  212    HB3  LEU  29           3HB      LEU  29   5.355   1.026 -10.204
  213    HG   LEU  29           HG       LEU  29   6.978  -0.105  -8.751
  214   HD11  LEU  29          1HD1      LEU  29   6.363  -2.485  -9.051
  215   HD12  LEU  29          2HD1      LEU  29   6.834  -2.403 -10.761
  216   HD13  LEU  29          3HD1      LEU  29   8.051  -2.238  -9.479
  217   HD21  LEU  29          3HD2      LEU  29   8.888  -0.099 -10.290
  218   HD22  LEU  29          1HD2      LEU  29   7.788  -0.196 -11.684
  219   HD23  LEU  29          2HD2      LEU  29   7.794   1.243 -10.646
  220    H    LEU  30           H        LEU  30   5.544  -1.542  -7.438
  221    HA   LEU  30           HA       LEU  30   4.425   0.412  -5.488
  222    HB2  LEU  30           2HB      LEU  30   5.231  -2.448  -4.875
  223    HB3  LEU  30           3HB      LEU  30   4.452  -1.295  -3.805
  224    HG   LEU  30           HG       LEU  30   3.176  -2.708  -6.186
  225   HD11  LEU  30          1HD1      LEU  30   1.871  -3.884  -4.478
  226   HD12  LEU  30          2HD1      LEU  30   3.604  -4.122  -4.201
  227   HD13  LEU  30          3HD1      LEU  30   2.696  -2.981  -3.192
  228   HD21  LEU  30          3HD2      LEU  30   1.011  -1.782  -5.287
  229   HD22  LEU  30          1HD2      LEU  30   1.955  -0.723  -4.220
  230   HD23  LEU  30          2HD2      LEU  30   2.073  -0.568  -5.997
  231    H    LYS  31           H        LYS  31   5.975   0.946  -3.743
  232    HA   LYS  31           HA       LYS  31   8.694  -0.124  -4.094
  233    HB2  LYS  31           2HB      LYS  31   9.859   1.800  -4.272
  234    HB3  LYS  31           3HB      LYS  31   8.496   2.184  -5.291
  235    HG2  LYS  31           2HG      LYS  31   8.946   3.134  -2.418
  236    HG3  LYS  31           3HG      LYS  31   9.278   4.048  -3.879
  237    HD2  LYS  31           2HD      LYS  31   6.891   4.171  -4.420
  238    HD3  LYS  31           3HD      LYS  31   6.498   3.141  -3.041
  239    HE2  LYS  31           2HE      LYS  31   6.040   5.422  -2.431
  240    HE3  LYS  31           3HE      LYS  31   7.430   4.861  -1.499
  241    HZ1  LYS  31           3HZ      LYS  31   7.567   6.584  -3.919
  242    HZ2  LYS  31           1HZ      LYS  31   7.765   7.091  -2.387
  243    HZ3  LYS  31           2HZ      LYS  31   8.864   6.090  -3.051
  244    H    LEU  32           H        LEU  32  10.001   0.058  -2.212
  245    HA   LEU  32           HA       LEU  32   8.467  -0.008   0.321
  246    HB2  LEU  32           2HB      LEU  32   9.811  -1.951  -0.133
  247    HB3  LEU  32           3HB      LEU  32  11.206  -0.974  -0.589
  248    HG   LEU  32           HG       LEU  32  11.590  -0.304   1.714
  249   HD11  LEU  32          1HD1      LEU  32  10.286  -1.470   3.553
  250   HD12  LEU  32          2HD1      LEU  32   9.419  -0.175   2.724
  251   HD13  LEU  32          3HD1      LEU  32   9.055  -1.871   2.335
  252   HD21  LEU  32          3HD2      LEU  32  11.104  -3.316   1.538
  253   HD22  LEU  32          1HD2      LEU  32  12.514  -2.465   0.868
  254   HD23  LEU  32          2HD2      LEU  32  12.240  -2.477   2.612
  255    H    HIS  33           H        HIS  33   8.534   1.804   1.600
  256    HA   HIS  33           HA       HIS  33  10.944   3.476   1.710
  257    HB2  HIS  33           2HB      HIS  33   9.562   4.501  -0.108
  258    HB3  HIS  33           3HB      HIS  33   8.199   4.623   1.008
  259    HD1  HIS  33           1HD      HIS  33   8.174   6.861   2.495
  260    HD2  HIS  33           2HD      HIS  33  11.852   5.963   0.622
  261    HE1  HIS  33           1HE      HIS  33   9.709   8.817   2.953
  262    H    ASP  34           H        ASP  34  11.187   4.260   3.774
  263    HA   ASP  34           HA       ASP  34  11.019   4.174   6.015
  264    HB2  ASP  34           2HB      ASP  34   9.818   6.237   5.393
  265    HB3  ASP  34           3HB      ASP  34   8.293   5.349   5.447
  266    H    GLU  35           H        GLU  35  10.639   1.702   5.066
  267    HA   GLU  35           HA       GLU  35   9.854  -0.347   5.407
  268    HB2  GLU  35           2HB      GLU  35   9.424   0.606   8.256
  269    HB3  GLU  35           3HB      GLU  35   9.544  -1.071   7.706
  270    HG2  GLU  35           2HG      GLU  35  11.831  -0.366   6.673
  271    HG3  GLU  35           3HG      GLU  35  11.718   1.046   7.725
  272    H    ARG  36           H        ARG  36   7.892   1.452   4.310
  273    HA   ARG  36           HA       ARG  36   5.565  -0.329   4.724
  274    HB2  ARG  36           2HB      ARG  36   5.560   2.708   4.345
  275    HB3  ARG  36           3HB      ARG  36   4.126   1.710   4.142
  276    HG2  ARG  36           2HG      ARG  36   5.725   1.925   6.733
  277    HG3  ARG  36           3HG      ARG  36   4.273   2.843   6.371
  278    HD2  ARG  36           2HD      ARG  36   4.343  -0.202   6.430
  279    HD3  ARG  36           3HD      ARG  36   3.931   0.802   7.812
  280    HE   ARG  36           HE       ARG  36   2.019   1.652   6.690
  281   HH11  ARG  36          1HH2      ARG  36   3.311  -1.324   5.073
  282   HH12  ARG  36          2HH2      ARG  36   1.826  -1.525   4.192
  283   HH21  ARG  36          1HH1      ARG  36   0.139   1.224   5.484
  284   HH22  ARG  36          2HH1      ARG  36   0.097  -0.151   4.415
  285    H    VAL  37           H        VAL  37   4.193  -0.316   2.642
  286    HA   VAL  37           HA       VAL  37   6.002   0.014   0.301
  287    HB   VAL  37           HB       VAL  37   4.155  -2.319   0.899
  288   HG11  VAL  37          1HG1      VAL  37   5.024  -3.239  -1.252
  289   HG12  VAL  37          2HG1      VAL  37   4.080  -1.771  -1.499
  290   HG13  VAL  37          3HG1      VAL  37   5.856  -1.702  -1.568
  291   HG21  VAL  37          3HG2      VAL  37   7.193  -2.117   0.588
  292   HG22  VAL  37          1HG2      VAL  37   6.319  -2.428   2.103
  293   HG23  VAL  37          2HG2      VAL  37   6.277  -3.617   0.799
  294    H    LEU  38           H        LEU  38   5.244   1.389  -1.085
  295    HA   LEU  38           HA       LEU  38   2.400   2.277  -0.872
  296    HB2  LEU  38           2HB      LEU  38   5.012   3.768  -1.087
  297    HB3  LEU  38           3HB      LEU  38   3.574   4.440  -1.846
  298    HG   LEU  38           HG       LEU  38   2.377   4.468   0.290
  299   HD11  LEU  38          1HD1      LEU  38   3.429   2.658   1.538
  300   HD12  LEU  38          2HD1      LEU  38   5.004   3.482   1.499
  301   HD13  LEU  38          3HD1      LEU  38   3.647   4.162   2.429
  302   HD21  LEU  38          3HD2      LEU  38   3.655   6.314   1.304
  303   HD22  LEU  38          1HD2      LEU  38   5.103   5.833   0.393
  304   HD23  LEU  38          2HD2      LEU  38   3.663   6.434  -0.460
  305    H    VAL  39           H        VAL  39   1.364   2.796  -2.826
  306    HA   VAL  39           HA       VAL  39   2.244   1.443  -5.219
  307    HB   VAL  39           HB       VAL  39   0.014   3.478  -4.871
  308   HG11  VAL  39          1HG1      VAL  39  -0.921   2.390  -6.893
  309   HG12  VAL  39          2HG1      VAL  39   0.695   3.019  -7.245
  310   HG13  VAL  39          3HG1      VAL  39   0.476   1.290  -6.961
  311   HG21  VAL  39          3HG2      VAL  39  -1.537   1.599  -4.659
  312   HG22  VAL  39          1HG2      VAL  39  -0.194   0.443  -4.687
  313   HG23  VAL  39          2HG2      VAL  39  -0.382   1.571  -3.331
  314    H    ALA  40           H        ALA  40   3.883   2.168  -6.384
  315    HA   ALA  40           HA       ALA  40   4.915   4.878  -6.030
  316    HB1  ALA  40           3HB      ALA  40   6.355   2.777  -6.078
  317    HB2  ALA  40           1HB      ALA  40   5.911   2.555  -7.772
  318    HB3  ALA  40           2HB      ALA  40   6.835   3.990  -7.284
  319    H    PHE  41           H        PHE  41   3.450   2.893  -8.592
  320    HA   PHE  41           HA       PHE  41   2.936   5.275 -10.241
  321    HB2  PHE  41           2HB      PHE  41   4.509   2.865 -11.262
  322    HB3  PHE  41           3HB      PHE  41   3.844   4.129 -12.271
  323    HD1  PHE  41           2HD      PHE  41   4.738   6.477 -12.167
  324    HD2  PHE  41           1HD      PHE  41   6.618   3.201 -10.083
  325    HE1  PHE  41           2HE      PHE  41   6.816   7.813 -11.933
  326    HE2  PHE  41           1HE      PHE  41   8.694   4.540  -9.851
  327    HZ   PHE  41           HZ       PHE  41   8.797   6.850 -10.775
  328    H    GLY  42           H        GLY  42   1.419   4.774 -11.939
  329    HA2  GLY  42           2HA      GLY  42  -0.005   2.464 -12.470
  330    HA3  GLY  42           3HA      GLY  42  -0.744   3.142 -10.997
  331    H    GLN  43           H        GLN  43   0.625   4.445 -14.086
  332    HA   GLN  43           HA       GLN  43  -1.047   6.831 -13.967
  333    HB2  GLN  43           2HB      GLN  43   0.698   5.655 -16.178
  334    HB3  GLN  43           3HB      GLN  43  -0.123   7.220 -16.260
  335    HG2  GLN  43           2HG      GLN  43   1.147   8.007 -14.278
  336    HG3  GLN  43           3HG      GLN  43   1.995   6.462 -14.194
  337   HE21  GLN  43          2HE2      GLN  43   3.648   5.982 -15.763
  338   HE22  GLN  43          1HE2      GLN  43   4.269   7.203 -16.841
  339    H    ARG  44           H        ARG  44  -1.245   3.595 -15.449
  340    HA   ARG  44           HA       ARG  44  -3.503   4.158 -17.145
  341    HB2  ARG  44           2HB      ARG  44  -1.888   2.121 -17.139
  342    HB3  ARG  44           3HB      ARG  44  -2.890   1.484 -15.827
  343    HG2  ARG  44           2HG      ARG  44  -4.895   1.691 -17.411
  344    HG3  ARG  44           3HG      ARG  44  -3.763   2.212 -18.664
  345    HD2  ARG  44           2HD      ARG  44  -4.128  -0.090 -19.045
  346    HD3  ARG  44           3HD      ARG  44  -2.517   0.007 -18.308
  347    HE   ARG  44           HE       ARG  44  -4.288  -0.341 -16.177
  348   HH11  ARG  44          1HH1      ARG  44  -3.394  -2.259 -19.032
  349   HH12  ARG  44          2HH1      ARG  44  -3.941  -3.750 -18.362
  350   HH21  ARG  44          1HH2      ARG  44  -5.031  -2.227 -15.318
  351   HH22  ARG  44          2HH2      ARG  44  -4.864  -3.752 -16.142
  352    H    ASP  45           H        ASP  45  -3.169   3.569 -13.674
  353    HA   ASP  45           HA       ASP  45  -6.026   3.001 -13.278
  354    HB2  ASP  45           2HB      ASP  45  -4.369   1.883 -11.833
  355    HB3  ASP  45           3HB      ASP  45  -3.752   3.439 -11.288
  356    H    GLY  46           H        GLY  46  -3.697   5.509 -12.177
  357    HA2  GLY  46           2HA      GLY  46  -3.933   7.784 -12.546
  358    HA3  GLY  46           3HA      GLY  46  -5.673   7.611 -12.755
  359    H    ILE  47           H        ILE  47  -5.536   5.961  -9.944
  360    HA   ILE  47           HA       ILE  47  -5.291   8.386  -8.231
  361    HB   ILE  47           HB       ILE  47  -7.489   8.451  -9.291
  362   HG12  ILE  47          2HG1      ILE  47  -7.748   7.884  -6.316
  363   HG13  ILE  47          3HG1      ILE  47  -7.054   9.360  -6.996
  364   HG21  ILE  47          1HG2      ILE  47  -7.854   5.983  -9.550
  365   HG22  ILE  47          2HG2      ILE  47  -8.173   5.890  -7.803
  366   HG23  ILE  47          3HG2      ILE  47  -9.236   6.830  -8.866
  367   HD11  ILE  47          3HD1      ILE  47  -9.357   9.767  -6.388
  368   HD12  ILE  47          1HD1      ILE  47  -9.217   9.821  -8.157
  369   HD13  ILE  47          2HD1      ILE  47  -9.918   8.394  -7.356
  370    H    ARG  48           H        ARG  48  -5.432   4.832  -8.343
  371    HA   ARG  48           HA       ARG  48  -5.263   4.537  -5.456
  372    HB2  ARG  48           2HB      ARG  48  -4.835   2.736  -7.846
  373    HB3  ARG  48           3HB      ARG  48  -4.147   2.266  -6.310
  374    HG2  ARG  48           2HG      ARG  48  -6.332   1.236  -6.637
  375    HG3  ARG  48           3HG      ARG  48  -6.236   2.240  -5.199
  376    HD2  ARG  48           2HD      ARG  48  -8.398   2.492  -6.160
  377    HD3  ARG  48           3HD      ARG  48  -7.531   4.024  -6.344
  378    HE   ARG  48           HE       ARG  48  -7.062   2.784  -8.734
  379   HH11  ARG  48          1HH1      ARG  48 -10.134   3.548  -7.014
  380   HH12  ARG  48          2HH1      ARG  48 -10.958   3.872  -8.495
  381   HH21  ARG  48          1HH2      ARG  48  -8.210   2.891 -10.521
  382   HH22  ARG  48          2HH2      ARG  48  -9.876   3.438 -10.585
  383    H    VAL  49           H        VAL  49  -2.932   5.644  -7.799
  384    HA   VAL  49           HA       VAL  49  -0.542   4.819  -6.568
  385    HB   VAL  49           HB       VAL  49  -1.002   7.481  -7.957
  386   HG11  VAL  49          1HG1      VAL  49   1.377   7.177  -8.660
  387   HG12  VAL  49          2HG1      VAL  49   1.232   7.288  -6.910
  388   HG13  VAL  49          3HG1      VAL  49   1.481   5.705  -7.674
  389   HG21  VAL  49          3HG2      VAL  49  -1.874   5.745  -9.452
  390   HG22  VAL  49          1HG2      VAL  49  -0.300   6.255 -10.042
  391   HG23  VAL  49          2HG2      VAL  49  -0.450   4.724  -9.148
  392    H    GLY  50           H        GLY  50   0.810   5.748  -4.951
  393    HA2  GLY  50           2HA      GLY  50   1.397   7.106  -3.211
  394    HA3  GLY  50           3HA      GLY  50  -0.071   8.065  -3.428
  395    H    HIS  51           H        HIS  51  -1.422   5.107  -3.267
  396    HA   HIS  51           HA       HIS  51  -1.912   5.218  -0.354
  397    HB2  HIS  51           2HB      HIS  51  -3.026   3.440  -2.564
  398    HB3  HIS  51           3HB      HIS  51  -3.517   3.387  -0.874
  399    HD1  HIS  51           1HD      HIS  51  -3.740   5.785  -3.889
  400    HD2  HIS  51           2HD      HIS  51  -4.954   5.414   0.112
  401    HE1  HIS  51           1HE      HIS  51  -5.382   7.682  -3.469
  402    H    ALA  52           H        ALA  52  -1.904   2.876   0.697
  403    HA   ALA  52           HA       ALA  52   0.681   1.562  -0.013
  404    HB1  ALA  52           3HB      ALA  52   1.024   3.209   1.776
  405    HB2  ALA  52           1HB      ALA  52  -0.263   2.444   2.743
  406    HB3  ALA  52           2HB      ALA  52   1.238   1.556   2.385
  407    H    VAL  53           H        VAL  53   0.939  -0.532   0.582
  408    HA   VAL  53           HA       VAL  53  -1.375  -2.214   0.435
  409    HB   VAL  53           HB       VAL  53   1.496  -2.838   1.284
  410   HG11  VAL  53          1HG1      VAL  53  -0.721  -4.681   0.280
  411   HG12  VAL  53          2HG1      VAL  53   0.974  -5.149   0.543
  412   HG13  VAL  53          3HG1      VAL  53  -0.031  -4.673   1.909
  413   HG21  VAL  53          3HG2      VAL  53   0.179  -2.978  -1.468
  414   HG22  VAL  53          1HG2      VAL  53   1.474  -1.864  -0.977
  415   HG23  VAL  53          2HG2      VAL  53   1.795  -3.596  -1.064
  416    H    LEU  54           H        LEU  54  -2.556  -3.147   2.031
  417    HA   LEU  54           HA       LEU  54  -1.708  -2.827   4.878
  418    HB2  LEU  54           2HB      LEU  54  -4.532  -2.782   3.741
  419    HB3  LEU  54           3HB      LEU  54  -4.118  -2.802   5.452
  420    HG   LEU  54           HG       LEU  54  -3.452  -0.556   3.502
  421   HD11  LEU  54          1HD1      LEU  54  -5.844  -0.678   3.973
  422   HD12  LEU  54          2HD1      LEU  54  -5.531  -0.773   5.719
  423   HD13  LEU  54          3HD1      LEU  54  -5.142   0.709   4.832
  424   HD21  LEU  54          3HD2      LEU  54  -1.788  -0.704   5.368
  425   HD22  LEU  54          1HD2      LEU  54  -2.755   0.768   5.433
  426   HD23  LEU  54          2HD2      LEU  54  -3.113  -0.588   6.533
  427    H    ALA  55           H        ALA  55  -3.189  -4.932   2.332
  428    HA   ALA  55           HA       ALA  55  -2.021  -7.156   3.811
  429    HB1  ALA  55           3HB      ALA  55  -4.026  -8.547   3.837
  430    HB2  ALA  55           1HB      ALA  55  -4.337  -7.072   4.759
  431    HB3  ALA  55           2HB      ALA  55  -4.988  -7.244   3.111
  432    H    ILE  56           H        ILE  56  -1.860  -9.085   2.523
  433    HA   ILE  56           HA       ILE  56  -2.602  -8.860  -0.359
  434    HB   ILE  56           HB       ILE  56   0.043  -9.960   0.688
  435   HG12  ILE  56          2HG1      ILE  56  -0.456  -7.534  -1.097
  436   HG13  ILE  56          3HG1      ILE  56  -0.077  -7.442   0.622
  437   HG21  ILE  56          1HG2      ILE  56   0.526 -10.333  -1.755
  438   HG22  ILE  56          2HG2      ILE  56  -0.855 -11.268  -1.208
  439   HG23  ILE  56          3HG2      ILE  56  -1.128  -9.793  -2.136
  440   HD11  ILE  56          3HD1      ILE  56   2.091  -8.553   0.235
  441   HD12  ILE  56          1HD1      ILE  56   1.782  -8.527  -1.516
  442   HD13  ILE  56          2HD1      ILE  56   1.895  -7.009  -0.622
  443    H    ASN  57           H        ASN  57  -3.658 -10.633  -1.005
  444    HA   ASN  57           HA       ASN  57  -5.140 -12.282  -0.714
  445    HB2  ASN  57           2HB      ASN  57  -4.204 -14.494  -0.804
  446    HB3  ASN  57           3HB      ASN  57  -3.299 -13.368  -1.788
  447   HD21  ASN  57          2HD2      ASN  57  -1.140 -13.811  -1.732
  448   HD22  ASN  57          1HD2      ASN  57  -0.260 -14.443  -0.366
  449    H    GLY  58           H        GLY  58  -4.812 -10.803   1.787
  450    HA2  GLY  58           2HA      GLY  58  -6.348 -11.011   3.590
  451    HA3  GLY  58           3HA      GLY  58  -6.150 -12.764   3.579
  452    H    MET  59           H        MET  59  -3.025 -11.998   3.276
  453    HA   MET  59           HA       MET  59  -2.435 -12.060   6.149
  454    HB2  MET  59           2HB      MET  59  -0.648 -11.864   3.684
  455    HB3  MET  59           3HB      MET  59  -0.086 -11.888   5.352
  456    HG2  MET  59           2HG      MET  59  -1.255 -14.105   5.647
  457    HG3  MET  59           3HG      MET  59  -1.550 -14.120   3.907
  458    HE1  MET  59           3HE      MET  59   0.303 -14.491   2.078
  459    HE2  MET  59           1HE      MET  59   1.066 -12.968   2.584
  460    HE3  MET  59           2HE      MET  59   2.049 -14.434   2.404
  461    H    ASP  60           H        ASP  60  -2.857 -10.188   7.166
  462    HA   ASP  60           HA       ASP  60  -2.573  -7.506   6.233
  463    HB2  ASP  60           2HB      ASP  60  -3.784  -8.027   8.267
  464    HB3  ASP  60           3HB      ASP  60  -2.363  -8.781   8.988
  465    H    VAL  61           H        VAL  61  -0.694  -6.336   5.795
  466    HA   VAL  61           HA       VAL  61   1.792  -7.869   6.005
  467    HB   VAL  61           HB       VAL  61   2.838  -6.126   4.697
  468   HG11  VAL  61          1HG1      VAL  61   0.196  -7.098   3.502
  469   HG12  VAL  61          2HG1      VAL  61   1.634  -6.567   2.608
  470   HG13  VAL  61          3HG1      VAL  61   1.701  -8.020   3.605
  471   HG21  VAL  61          3HG2      VAL  61   1.626  -4.311   3.646
  472   HG22  VAL  61          1HG2      VAL  61   0.157  -4.708   4.558
  473   HG23  VAL  61          2HG2      VAL  61   1.601  -4.109   5.396
  474    H    ASN  62           H        ASN  62   3.348  -7.629   7.399
  475    HA   ASN  62           HA       ASN  62   3.157  -5.805   9.702
  476    HB2  ASN  62           2HB      ASN  62   3.868  -8.113  10.127
  477    HB3  ASN  62           3HB      ASN  62   5.140  -7.975   8.909
  478   HD21  ASN  62          2HD2      ASN  62   6.800  -8.457  10.503
  479   HD22  ASN  62          1HD2      ASN  62   7.269  -7.270  11.691
  480    H    GLY  63           H        GLY  63   3.178  -3.973   8.158
  481    HA2  GLY  63           2HA      GLY  63   4.201  -2.048   7.560
  482    HA3  GLY  63           3HA      GLY  63   5.739  -2.688   8.147
  483    H    ARG  64           H        ARG  64   6.689  -4.414   6.752
  484    HA   ARG  64           HA       ARG  64   6.511  -3.839   3.835
  485    HB2  ARG  64           2HB      ARG  64   8.978  -3.836   3.761
  486    HB3  ARG  64           3HB      ARG  64   8.367  -2.558   4.821
  487    HG2  ARG  64           2HG      ARG  64   8.796  -4.062   6.799
  488    HG3  ARG  64           3HG      ARG  64   9.501  -5.251   5.706
  489    HD2  ARG  64           2HD      ARG  64  10.558  -2.417   5.952
  490    HD3  ARG  64           3HD      ARG  64  11.047  -3.728   7.033
  491    HE   ARG  64           HE       ARG  64  11.377  -4.485   4.277
  492   HH11  ARG  64          1HH1      ARG  64  12.928  -2.707   6.983
  493   HH12  ARG  64          2HH1      ARG  64  14.513  -2.866   6.307
  494   HH21  ARG  64          1HH2      ARG  64  13.461  -4.785   3.501
  495   HH22  ARG  64          2HH2      ARG  64  14.840  -4.079   4.299
  496    H    TYR  65           H        TYR  65   6.255  -6.210   6.227
  497    HA   TYR  65           HA       TYR  65   7.222  -8.336   4.386
  498    HB2  TYR  65           2HB      TYR  65   6.961  -8.502   7.401
  499    HB3  TYR  65           3HB      TYR  65   7.690  -9.681   6.327
  500    HD1  TYR  65           1HD      TYR  65   9.776  -8.781   4.903
  501    HD2  TYR  65           2HD      TYR  65   8.368  -7.033   8.583
  502    HE1  TYR  65           1HE      TYR  65  11.959  -7.638   5.184
  503    HE2  TYR  65           2HE      TYR  65  10.591  -6.018   8.957
  504    HH   TYR  65           HH       TYR  65  12.763  -5.763   8.148
  505    H    THR  66           H        THR  66   5.811 -10.298   4.351
  506    HA   THR  66           HA       THR  66   2.984  -9.743   4.758
  507    HB   THR  66           HB       THR  66   2.741 -12.165   4.238
  508    HG1  THR  66           1HG      THR  66   4.608 -13.296   3.624
  509   HG21  THR  66          3HG2      THR  66   3.502 -12.060   1.917
  510   HG22  THR  66          1HG2      THR  66   2.844 -10.488   2.406
  511   HG23  THR  66          2HG2      THR  66   4.609 -10.724   2.296
  512    H    ALA  67           H        ALA  67   1.729 -11.465   6.069
  513    HA   ALA  67           HA       ALA  67   2.420 -11.461   8.838
  514    HB1  ALA  67           3HB      ALA  67   0.600 -13.145   8.988
  515    HB2  ALA  67           1HB      ALA  67   0.121 -11.781   7.949
  516    HB3  ALA  67           2HB      ALA  67   0.636 -13.325   7.218
  517    H    ASP  68           H        ASP  68   2.983 -13.758   6.181
  518    HA   ASP  68           HA       ASP  68   4.181 -15.856   7.728
  519    HB2  ASP  68           2HB      ASP  68   3.198 -16.212   5.508
  520    HB3  ASP  68           3HB      ASP  68   4.414 -15.163   4.777
  521    H    GLY  69           H        GLY  69   5.472 -12.899   6.239
  522    HA2  GLY  69           2HA      GLY  69   7.249 -11.842   7.478
  523    HA3  GLY  69           3HA      GLY  69   8.075 -13.394   7.628
  524    H    LYS  70           H        LYS  70   6.727 -13.042   4.511
  525    HA   LYS  70           HA       LYS  70   9.351 -12.904   3.232
  526    HB2  LYS  70           2HB      LYS  70   6.502 -12.773   2.114
  527    HB3  LYS  70           3HB      LYS  70   7.961 -13.007   1.156
  528    HG2  LYS  70           2HG      LYS  70   7.270 -14.980   3.365
  529    HG3  LYS  70           3HG      LYS  70   6.450 -15.059   1.810
  530    HD2  LYS  70           2HD      LYS  70   8.467 -15.466   0.617
  531    HD3  LYS  70           3HD      LYS  70   9.477 -14.988   1.983
  532    HE2  LYS  70           2HE      LYS  70   9.374 -17.456   1.525
  533    HE3  LYS  70           3HE      LYS  70   9.050 -16.955   3.191
  534    HZ1  LYS  70           3HZ      LYS  70   6.892 -17.600   1.278
  535    HZ2  LYS  70           1HZ      LYS  70   7.535 -18.675   2.323
  536    HZ3  LYS  70           2HZ      LYS  70   6.769 -17.370   2.919
  537    H    GLU  71           H        GLU  71  10.237 -10.979   2.266
  538    HA   GLU  71           HA       GLU  71   9.028  -8.428   2.935
  539    HB2  GLU  71           2HB      GLU  71  11.466  -8.699   2.647
  540    HB3  GLU  71           3HB      GLU  71  11.231  -9.085   0.931
  541    HG2  GLU  71           2HG      GLU  71  10.313  -6.862   0.502
  542    HG3  GLU  71           3HG      GLU  71  10.246  -6.507   2.231
  543    H    VAL  72           H        VAL  72   7.521  -7.353   1.840
  544    HA   VAL  72           HA       VAL  72   5.799  -8.736   0.162
  545    HB   VAL  72           HB       VAL  72   6.193  -5.822   0.848
  546   HG11  VAL  72          1HG1      VAL  72   5.181  -5.596  -1.305
  547   HG12  VAL  72          2HG1      VAL  72   4.067  -6.930  -1.001
  548   HG13  VAL  72          3HG1      VAL  72   3.887  -5.389  -0.118
  549   HG21  VAL  72          3HG2      VAL  72   5.350  -7.407   2.583
  550   HG22  VAL  72          1HG2      VAL  72   4.167  -6.159   2.174
  551   HG23  VAL  72          2HG2      VAL  72   3.984  -7.807   1.533
  552    H    LEU  73           H        LEU  73   8.408  -6.454  -0.862
  553    HA   LEU  73           HA       LEU  73   7.570  -6.468  -3.604
  554    HB2  LEU  73           2HB      LEU  73  10.325  -5.922  -2.424
  555    HB3  LEU  73           3HB      LEU  73   9.857  -5.625  -4.095
  556    HG   LEU  73           HG       LEU  73   8.735  -4.216  -1.640
  557   HD11  LEU  73          1HD1      LEU  73   9.850  -2.244  -2.631
  558   HD12  LEU  73          2HD1      LEU  73  11.009  -3.533  -2.277
  559   HD13  LEU  73          3HD1      LEU  73  10.478  -3.250  -3.950
  560   HD21  LEU  73          3HD2      LEU  73   6.922  -4.366  -3.274
  561   HD22  LEU  73          1HD2      LEU  73   7.561  -2.724  -3.264
  562   HD23  LEU  73          2HD2      LEU  73   8.007  -3.832  -4.579
  563    H    GLU  74           H        GLU  74   9.728  -8.637  -1.757
  564    HA   GLU  74           HA       GLU  74  10.685 -10.035  -4.124
  565    HB2  GLU  74           2HB      GLU  74  11.903  -9.876  -1.905
  566    HB3  GLU  74           3HB      GLU  74  10.657 -10.898  -1.195
  567    HG2  GLU  74           2HG      GLU  74  12.516 -12.297  -1.695
  568    HG3  GLU  74           3HG      GLU  74  11.259 -12.705  -2.851
  569    H    TYR  75           H        TYR  75   8.183 -10.532  -1.614
  570    HA   TYR  75           HA       TYR  75   7.233 -13.055  -2.382
  571    HB2  TYR  75           2HB      TYR  75   6.707 -11.800  -0.283
  572    HB3  TYR  75           3HB      TYR  75   5.714 -10.693  -1.198
  573    HD1  TYR  75           2HD      TYR  75   6.074 -14.387  -0.497
  574    HD2  TYR  75           1HD      TYR  75   3.403 -11.089  -1.325
  575    HE1  TYR  75           2HE      TYR  75   4.130 -15.868  -0.122
  576    HE2  TYR  75           1HE      TYR  75   1.455 -12.564  -0.930
  577    HH   TYR  75           HH       TYR  75   1.811 -16.046  -0.102
  578    H    LEU  76           H        LEU  76   6.159  -9.793  -3.463
  579    HA   LEU  76           HA       LEU  76   4.212 -10.854  -5.350
  580    HB2  LEU  76           2HB      LEU  76   5.453  -8.099  -4.925
  581    HB3  LEU  76           3HB      LEU  76   4.212  -8.426  -6.128
  582    HG   LEU  76           HG       LEU  76   3.827  -8.819  -3.117
  583   HD11  LEU  76          1HD1      LEU  76   2.838  -6.624  -4.989
  584   HD12  LEU  76          2HD1      LEU  76   2.415  -6.804  -3.274
  585   HD13  LEU  76          3HD1      LEU  76   4.086  -6.455  -3.733
  586   HD21  LEU  76          3HD2      LEU  76   2.372 -10.330  -4.281
  587   HD22  LEU  76          1HD2      LEU  76   1.396  -8.942  -3.797
  588   HD23  LEU  76          2HD2      LEU  76   1.944  -9.093  -5.481
  589    H    GLY  77           H        GLY  77   7.619  -9.805  -5.521
  590    HA2  GLY  77           2HA      GLY  77   7.811  -9.601  -8.337
  591    HA3  GLY  77           3HA      GLY  77   9.140  -9.857  -7.193
  592    H    ASN  78           H        ASN  78   8.121 -12.411  -6.152
  593    HA   ASN  78           HA       ASN  78   9.237 -14.297  -7.945
  594    HB2  ASN  78           2HB      ASN  78   9.046 -14.711  -5.556
  595    HB3  ASN  78           3HB      ASN  78   7.284 -14.613  -5.638
  596   HD21  ASN  78          2HD2      ASN  78   7.715 -16.811  -4.491
  597   HD22  ASN  78          1HD2      ASN  78   7.807 -18.202  -5.538
  598    HA   PRO  79           HA       PRO  79   5.617 -14.194 -10.595
  599    HB2  PRO  79           2HB      PRO  79   6.408 -15.666 -12.736
  600    HB3  PRO  79           3HB      PRO  79   6.992 -14.010 -12.382
  601    HG2  PRO  79           2HG      PRO  79   8.341 -16.649 -11.680
  602    HG3  PRO  79           3HG      PRO  79   9.076 -15.220 -12.476
  603    HD2  PRO  79           2HD      PRO  79   9.300 -15.671  -9.787
  604    HD3  PRO  79           3HD      PRO  79   9.152 -14.019 -10.453
  605    H    ALA  80           H        ALA  80   6.864 -17.095  -9.112
  606    HA   ALA  80           HA       ALA  80   4.713 -18.860  -9.858
  607    HB1  ALA  80           3HB      ALA  80   6.838 -19.575  -8.710
  608    HB2  ALA  80           1HB      ALA  80   6.270 -18.737  -7.239
  609    HB3  ALA  80           2HB      ALA  80   5.369 -20.122  -7.874
  610    H    ASN  81           H        ASN  81   4.800 -15.955  -8.038
  611    HA   ASN  81           HA       ASN  81   2.136 -16.385  -6.811
  612    HB2  ASN  81           2HB      ASN  81   4.030 -16.676  -5.185
  613    HB3  ASN  81           3HB      ASN  81   4.610 -15.067  -5.617
  614   HD21  ASN  81          2HD2      ASN  81   4.190 -13.729  -3.966
  615   HD22  ASN  81          1HD2      ASN  81   2.752 -13.733  -2.959
  616    H    TYR  82           H        TYR  82   3.068 -15.095  -9.413
  617    HA   TYR  82           HA       TYR  82   2.762 -12.253  -9.137
  618    HB2  TYR  82           2HB      TYR  82   2.532 -14.246 -11.389
  619    HB3  TYR  82           3HB      TYR  82   1.743 -12.702 -11.590
  620    HD1  TYR  82           2HD      TYR  82   4.699 -11.879  -9.749
  621    HD2  TYR  82           1HD      TYR  82   3.307 -13.118 -13.653
  622    HE1  TYR  82           2HE      TYR  82   6.644 -10.809 -10.781
  623    HE2  TYR  82           1HE      TYR  82   5.269 -12.051 -14.690
  624    HH   TYR  82           HH       TYR  82   7.234 -10.834 -14.330
  625    HA   PRO  83           HA       PRO  83  -1.866 -12.706  -9.815
  626    HB2  PRO  83           2HB      PRO  83  -3.215 -15.073  -9.481
  627    HB3  PRO  83           3HB      PRO  83  -2.520 -14.528 -11.036
  628    HG2  PRO  83           2HG      PRO  83  -1.322 -16.457  -9.032
  629    HG3  PRO  83           3HG      PRO  83  -1.422 -16.624 -10.811
  630    HD2  PRO  83           2HD      PRO  83   0.826 -15.759  -9.557
  631    HD3  PRO  83           3HD      PRO  83   0.339 -15.105 -11.149
  632    H    VAL  84           H        VAL  84  -2.520 -11.634  -8.043
  633    HA   VAL  84           HA       VAL  84  -2.904 -12.991  -5.445
  634    HB   VAL  84           HB       VAL  84  -1.746 -11.090  -4.314
  635   HG11  VAL  84          1HG1      VAL  84   0.517 -11.828  -4.575
  636   HG12  VAL  84          2HG1      VAL  84  -0.554 -13.235  -4.682
  637   HG13  VAL  84          3HG1      VAL  84   0.158 -12.543  -6.154
  638   HG21  VAL  84          3HG2      VAL  84  -0.603 -10.339  -7.038
  639   HG22  VAL  84          1HG2      VAL  84  -1.878  -9.431  -6.207
  640   HG23  VAL  84          2HG2      VAL  84  -0.288  -9.577  -5.471
  641    H    SER  85           H        SER  85  -3.876 -11.296  -3.888
  642    HA   SER  85           HA       SER  85  -5.540  -9.265  -5.237
  643    HB2  SER  85           2HB      SER  85  -6.425 -11.063  -2.936
  644    HB3  SER  85           3HB      SER  85  -7.352  -9.724  -3.641
  645    HG   SER  85           HG       SER  85  -7.960 -11.804  -4.455
  646    H    ILE  86           H        ILE  86  -5.382  -7.290  -4.103
  647    HA   ILE  86           HA       ILE  86  -3.672  -7.286  -1.653
  648    HB   ILE  86           HB       ILE  86  -3.373  -5.449  -4.069
  649   HG12  ILE  86          2HG1      ILE  86  -1.666  -7.779  -3.102
  650   HG13  ILE  86          3HG1      ILE  86  -2.479  -7.617  -4.654
  651   HG21  ILE  86          1HG2      ILE  86  -1.721  -5.622  -1.517
  652   HG22  ILE  86          2HG2      ILE  86  -1.443  -4.500  -2.868
  653   HG23  ILE  86          3HG2      ILE  86  -2.884  -4.334  -1.888
  654   HD11  ILE  86          3HD1      ILE  86  -0.162  -7.250  -5.039
  655   HD12  ILE  86          1HD1      ILE  86  -0.946  -5.665  -5.173
  656   HD13  ILE  86          2HD1      ILE  86  -0.029  -6.102  -3.706
  657    H    ARG  87           H        ARG  87  -4.301  -5.821  -0.155
  658    HA   ARG  87           HA       ARG  87  -6.669  -4.110  -0.738
  659    HB2  ARG  87           2HB      ARG  87  -7.192  -6.079   0.720
  660    HB3  ARG  87           3HB      ARG  87  -5.964  -5.541   1.867
  661    HG2  ARG  87           2HG      ARG  87  -7.223  -3.542   2.404
  662    HG3  ARG  87           3HG      ARG  87  -8.324  -3.804   1.047
  663    HD2  ARG  87           2HD      ARG  87  -9.439  -4.398   3.093
  664    HD3  ARG  87           3HD      ARG  87  -9.233  -5.822   2.090
  665    HE   ARG  87           HE       ARG  87  -7.744  -5.118   4.578
  666   HH11  ARG  87          1HH1      ARG  87  -8.562  -7.677   2.171
  667   HH12  ARG  87          2HH1      ARG  87  -8.086  -8.946   3.235
  668   HH21  ARG  87          1HH2      ARG  87  -7.096  -6.844   5.909
  669   HH22  ARG  87          2HH2      ARG  87  -7.206  -8.473   5.369
  670    H    PHE  88           H        PHE  88  -6.400  -1.978  -0.155
  671    HA   PHE  88           HA       PHE  88  -3.861  -1.182   1.151
  672    HB2  PHE  88           2HB      PHE  88  -3.575   0.460  -0.811
  673    HB3  PHE  88           3HB      PHE  88  -3.159  -1.219  -1.077
  674    HD1  PHE  88           2HD      PHE  88  -6.111   1.118  -1.489
  675    HD2  PHE  88           1HD      PHE  88  -3.886  -2.240  -3.058
  676    HE1  PHE  88           2HE      PHE  88  -7.664   0.981  -3.406
  677    HE2  PHE  88           1HE      PHE  88  -5.482  -2.386  -4.955
  678    HZ   PHE  88           HZ       PHE  88  -7.368  -0.781  -5.134
  679    H    GLY  89           H        GLY  89  -3.782   1.196   1.517
  680    HA2  GLY  89           2HA      GLY  89  -6.251   2.700   1.614
  681    HA3  GLY  89           3HA      GLY  89  -5.775   2.068   3.191
  682    H    ARG  90           H        ARG  90  -5.710   4.542   3.516
  683    HA   ARG  90           HA       ARG  90  -3.483   6.036   2.420
  684    HB2  ARG  90           2HB      ARG  90  -4.801   6.499   5.123
  685    HB3  ARG  90           3HB      ARG  90  -3.937   7.662   4.139
  686    HG2  ARG  90           2HG      ARG  90  -6.698   6.490   3.582
  687    HG3  ARG  90           3HG      ARG  90  -6.319   8.081   4.226
  688    HD2  ARG  90           2HD      ARG  90  -5.087   8.545   2.020
  689    HD3  ARG  90           3HD      ARG  90  -5.868   7.073   1.403
  690    HE   ARG  90           HE       ARG  90  -7.793   8.755   2.677
  691   HH11  ARG  90          1HH1      ARG  90  -6.098   8.459  -0.440
  692   HH12  ARG  90          2HH1      ARG  90  -6.958   9.765  -1.169
  693   HH21  ARG  90          1HH2      ARG  90  -9.066  10.329   1.626
  694   HH22  ARG  90          2HH2      ARG  90  -8.768  10.748  -0.016
  695    HA   PRO  91           HA       PRO  91  -0.560   3.905   5.243
  696    HB2  PRO  91           2HB      PRO  91   1.661   5.527   4.788
  697    HB3  PRO  91           3HB      PRO  91   1.199   4.169   3.755
  698    HG2  PRO  91           2HG      PRO  91   0.679   7.121   3.380
  699    HG3  PRO  91           3HG      PRO  91   1.144   5.917   2.139
  700    HD2  PRO  91           2HD      PRO  91  -1.432   6.807   2.502
  701    HD3  PRO  91           3HD      PRO  91  -1.062   5.151   1.933
  702    H    ARG  92           H        ARG  92   0.769   4.658   7.163
  703    HA   ARG  92           HA       ARG  92  -0.484   6.808   8.655
  704    HB2  ARG  92           2HB      ARG  92   1.089   6.322  10.384
  705    HB3  ARG  92           3HB      ARG  92   0.610   4.775   9.688
  706    HG2  ARG  92           2HG      ARG  92   2.751   4.919   8.274
  707    HG3  ARG  92           3HG      ARG  92   3.219   6.292   9.303
  708    HD2  ARG  92           2HD      ARG  92   2.652   4.463  11.206
  709    HD3  ARG  92           3HD      ARG  92   3.051   3.347   9.902
  710    HE   ARG  92           HE       ARG  92   4.836   4.532  11.583
  711   HH11  ARG  92          1HH1      ARG  92   4.711   4.723   7.931
  712   HH12  ARG  92          2HH1      ARG  92   6.425   5.046   7.912
  713   HH21  ARG  92          1HH2      ARG  92   7.081   4.937  11.264
  714   HH22  ARG  92          2HH2      ARG  92   7.643   5.219   9.624
  715    H    LEU  93           H        LEU  93   0.397   8.911   9.030
  716    HA   LEU  93           HA       LEU  93   1.219  10.203   6.758
  717    HB2  LEU  93           2HB      LEU  93   0.122  11.212   8.710
  718    HB3  LEU  93           3HB      LEU  93   1.592  11.081   9.655
  719    HG   LEU  93           HG       LEU  93   0.952  13.347   8.790
  720   HD11  LEU  93          1HD1      LEU  93   3.741  12.587   7.869
  721   HD12  LEU  93          2HD1      LEU  93   3.144  14.154   8.412
  722   HD13  LEU  93          3HD1      LEU  93   3.264  12.821   9.566
  723   HD21  LEU  93          3HD2      LEU  93   0.244  12.683   6.512
  724   HD22  LEU  93          1HD2      LEU  93   1.412  14.013   6.518
  725   HD23  LEU  93          2HD2      LEU  93   1.943  12.381   6.081
  726    H    THR  94           H        THR  94   3.349   9.100   9.389
  727    HA   THR  94           HA       THR  94   5.706  10.285   8.702
  728    HB   THR  94           HB       THR  94   5.602   7.443   9.718
  729    HG1  THR  94           1HG      THR  94   4.867   8.182  11.696
  730   HG21  THR  94          3HG2      THR  94   7.125   9.918  10.657
  731   HG22  THR  94          1HG2      THR  94   7.251   8.289  11.364
  732   HG23  THR  94          2HG2      THR  94   7.798   8.574   9.708
  733    H    SER  95           H        SER  95   4.169   7.679   6.913
  734    HA   SER  95           HA       SER  95   6.520   6.543   5.752
  735    HB2  SER  95           2HB      SER  95   3.829   6.518   4.394
  736    HB3  SER  95           3HB      SER  95   5.073   5.260   4.446
  737    HG   SER  95           HG       SER  95   3.153   6.022   6.355
  738    H    ASN  96           H        ASN  96   4.882   9.530   5.127
  739    HA   ASN  96           HA       ASN  96   5.211   9.859   2.336
  740    HB2  ASN  96           2HB      ASN  96   3.830  11.383   3.640
  741    HB3  ASN  96           3HB      ASN  96   5.224  11.883   4.608
  742   HD21  ASN  96          2HD2      ASN  96   6.572  13.533   3.805
  743   HD22  ASN  96          1HD2      ASN  96   6.356  14.275   2.242
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -24.608  -3.258   3.053
    2    H2   MET   1           H2       MET   1 -23.248  -2.626   3.694
    3    H3   MET   1           H3       MET   1 -24.631  -2.677   4.583
    4    HA   MET   1           HA       MET   1 -25.711  -1.141   3.082
    5    HB2  MET   1           2HB      MET   1 -23.034  -0.129   4.148
    6    HB3  MET   1           3HB      MET   1 -24.310   0.898   3.494
    7    HG2  MET   1           2HG      MET   1 -25.878   0.017   5.231
    8    HG3  MET   1           3HG      MET   1 -24.535  -0.855   5.969
    9    HE1  MET   1           3HE      MET   1 -22.559   0.240   7.281
   10    HE2  MET   1           1HE      MET   1 -22.067   1.192   5.859
   11    HE3  MET   1           2HE      MET   1 -22.295   1.991   7.426
   12    H    GLY   2           H        GLY   2 -25.844  -0.266   1.017
   13    HA2  GLY   2           2HA      GLY   2 -23.666   0.413  -0.620
   14    HA3  GLY   2           3HA      GLY   2 -24.137  -1.237  -1.055
   15    H    HIS   3           H        HIS   3 -24.375   0.622  -2.964
   16    HA   HIS   3           HA       HIS   3 -26.861   2.074  -3.016
   17    HB2  HIS   3           2HB      HIS   3 -24.639   2.729  -4.021
   18    HB3  HIS   3           3HB      HIS   3 -24.866   1.482  -5.240
   19    HD1  HIS   3           1HD      HIS   3 -24.481   4.062  -6.576
   20    HD2  HIS   3           2HD      HIS   3 -28.209   3.055  -4.903
   21    HE1  HIS   3           1HE      HIS   3 -26.203   5.550  -7.708
   22    H    HIS   4           H        HIS   4 -27.337  -0.736  -2.586
   23    HA   HIS   4           HA       HIS   4 -28.277  -2.094  -4.918
   24    HB2  HIS   4           2HB      HIS   4 -29.404  -3.540  -3.410
   25    HB3  HIS   4           3HB      HIS   4 -27.867  -3.133  -2.664
   26    HD1  HIS   4           1HD      HIS   4 -28.260  -0.924  -0.687
   27    HD2  HIS   4           2HD      HIS   4 -31.453  -3.416  -1.877
   28    HE1  HIS   4           1HE      HIS   4 -30.042  -0.735   1.109
   29    H    HIS   5           H        HIS   5 -29.647   0.446  -2.876
   30    HA   HIS   5           HA       HIS   5 -31.819   0.935  -4.813
   31    HB2  HIS   5           2HB      HIS   5 -32.106   0.798  -1.766
   32    HB3  HIS   5           3HB      HIS   5 -33.276   1.552  -2.836
   33    HD1  HIS   5           1HD      HIS   5 -32.474  -1.492  -4.652
   34    HD2  HIS   5           2HD      HIS   5 -34.607  -0.491  -1.165
   35    HE1  HIS   5           1HE      HIS   5 -34.127  -3.392  -4.254
   36    H    HIS   6           H        HIS   6 -32.130   3.201  -5.027
   37    HA   HIS   6           HA       HIS   6 -29.954   4.904  -4.351
   38    HB2  HIS   6           2HB      HIS   6 -32.796   5.747  -5.043
   39    HB3  HIS   6           3HB      HIS   6 -31.325   6.694  -5.243
   40    HD1  HIS   6           1HD      HIS   6 -29.485   4.791  -6.927
   41    HD2  HIS   6           2HD      HIS   6 -33.656   5.191  -7.414
   42    HE1  HIS   6           1HE      HIS   6 -30.009   4.018  -9.288
   43    H    HIS   7           H        HIS   7 -33.048   4.240  -2.736
   44    HA   HIS   7           HA       HIS   7 -32.722   6.380  -0.793
   45    HB2  HIS   7           2HB      HIS   7 -34.794   4.143  -0.939
   46    HB3  HIS   7           3HB      HIS   7 -34.892   5.597   0.057
   47    HD1  HIS   7           1HD      HIS   7 -36.190   4.393  -3.140
   48    HD2  HIS   7           2HD      HIS   7 -34.686   8.021  -1.618
   49    HE1  HIS   7           1HE      HIS   7 -37.011   6.221  -4.707
   50    H    HIS   8           H        HIS   8 -30.548   5.031  -0.651
   51    HA   HIS   8           HA       HIS   8 -30.441   4.082   2.083
   52    HB2  HIS   8           2HB      HIS   8 -30.974   1.947   0.953
   53    HB3  HIS   8           3HB      HIS   8 -29.638   2.185  -0.167
   54    HD1  HIS   8           1HD      HIS   8 -30.321   1.020   3.401
   55    HD2  HIS   8           2HD      HIS   8 -27.120   1.859   0.803
   56    HE1  HIS   8           1HE      HIS   8 -28.260  -0.061   4.428
   57    H    LEU   9           H        LEU   9 -28.637   4.059  -0.997
   58    HA   LEU   9           HA       LEU   9 -26.761   6.106  -0.060
   59    HB2  LEU   9           2HB      LEU   9 -25.729   3.906   0.510
   60    HB3  LEU   9           3HB      LEU   9 -26.078   3.328  -1.119
   61    HG   LEU   9           HG       LEU   9 -24.478   5.022  -2.050
   62   HD11  LEU   9          1HD1      LEU   9 -22.946   6.205  -0.490
   63   HD12  LEU   9          2HD1      LEU   9 -24.612   6.745  -0.275
   64   HD13  LEU   9          3HD1      LEU   9 -23.899   5.615   0.890
   65   HD21  LEU   9          3HD2      LEU   9 -23.340   3.213   0.120
   66   HD22  LEU   9          1HD2      LEU   9 -23.714   2.758  -1.557
   67   HD23  LEU   9          2HD2      LEU   9 -22.424   3.923  -1.232
   68    H    ASP  10           H        ASP  10 -26.151   7.359  -1.888
   69    HA   ASP  10           HA       ASP  10 -26.978   6.415  -4.599
   70    HB2  ASP  10           2HB      ASP  10 -28.715   7.906  -3.821
   71    HB3  ASP  10           3HB      ASP  10 -27.521   9.093  -3.293
   72    H    SER  11           H        SER  11 -24.881   8.474  -2.630
   73    HA   SER  11           HA       SER  11 -22.589   7.898  -4.231
   74    HB2  SER  11           2HB      SER  11 -23.666  10.767  -4.171
   75    HB3  SER  11           3HB      SER  11 -22.001  10.357  -4.604
   76    HG   SER  11           HG       SER  11 -24.051   8.985  -5.901
   77    H    TYR  12           H        TYR  12 -20.688   8.977  -3.171
   78    HA   TYR  12           HA       TYR  12 -19.387   9.562  -1.540
   79    HB2  TYR  12           2HB      TYR  12 -21.347  11.476  -1.611
   80    HB3  TYR  12           3HB      TYR  12 -21.276  11.104   0.101
   81    HD1  TYR  12           1HD      TYR  12 -19.425  12.298  -2.854
   82    HD2  TYR  12           2HD      TYR  12 -19.191  11.562   1.393
   83    HE1  TYR  12           1HE      TYR  12 -17.323  13.584  -2.760
   84    HE2  TYR  12           2HE      TYR  12 -17.073  12.830   1.506
   85    HH   TYR  12           HH       TYR  12 -15.487  14.065   0.314
   86    H    ALA  13           H        ALA  13 -18.633   7.896  -0.478
   87    HA   ALA  13           HA       ALA  13 -19.610   7.470   2.231
   88    HB1  ALA  13           3HB      ALA  13 -19.171   5.151   0.287
   89    HB2  ALA  13           1HB      ALA  13 -19.427   4.998   2.038
   90    HB3  ALA  13           2HB      ALA  13 -20.727   5.632   1.008
   91    HA   PRO  14           HA       PRO  14 -15.182   7.734   2.907
   92    HB2  PRO  14           2HB      PRO  14 -15.648   5.442   4.831
   93    HB3  PRO  14           3HB      PRO  14 -14.671   6.925   5.067
   94    HG2  PRO  14           2HG      PRO  14 -17.163   6.751   6.119
   95    HG3  PRO  14           3HG      PRO  14 -16.633   8.263   5.315
   96    HD2  PRO  14           2HD      PRO  14 -18.404   6.076   4.220
   97    HD3  PRO  14           3HD      PRO  14 -18.539   7.855   4.050
   98    H    ARG  15           H        ARG  15 -13.311   6.771   2.149
   99    HA   ARG  15           HA       ARG  15 -13.230   3.916   1.463
  100    HB2  ARG  15           2HB      ARG  15 -12.672   4.265  -0.865
  101    HB3  ARG  15           3HB      ARG  15 -14.293   4.813  -0.519
  102    HG2  ARG  15           2HG      ARG  15 -13.885   6.956  -1.117
  103    HG3  ARG  15           3HG      ARG  15 -12.323   7.026  -0.306
  104    HD2  ARG  15           2HD      ARG  15 -12.833   5.666  -2.977
  105    HD3  ARG  15           3HD      ARG  15 -12.135   7.282  -2.773
  106    HE   ARG  15           HE       ARG  15 -10.526   5.725  -1.197
  107   HH11  ARG  15          1HH1      ARG  15 -11.571   5.206  -4.564
  108   HH12  ARG  15          2HH1      ARG  15 -10.179   4.224  -4.947
  109   HH21  ARG  15          1HH2      ARG  15  -8.544   4.721  -1.885
  110   HH22  ARG  15          2HH2      ARG  15  -8.390   4.206  -3.551
  111    H    ALA  16           H        ALA  16 -11.884   5.075   3.487
  112    HA   ALA  16           HA       ALA  16  -9.304   6.105   2.803
  113    HB1  ALA  16           3HB      ALA  16  -8.755   5.622   5.162
  114    HB2  ALA  16           1HB      ALA  16 -10.338   6.411   5.029
  115    HB3  ALA  16           2HB      ALA  16 -10.234   4.656   5.323
  116    H    GLU  17           H        GLU  17 -10.573   2.902   2.490
  117    HA   GLU  17           HA       GLU  17  -7.965   1.921   1.685
  118    HB2  GLU  17           2HB      GLU  17  -8.213  -0.192   2.969
  119    HB3  GLU  17           3HB      GLU  17  -7.945   1.215   3.996
  120    HG2  GLU  17           2HG      GLU  17 -10.393   1.297   4.507
  121    HG3  GLU  17           3HG      GLU  17 -10.635  -0.128   3.492
  122    H    ALA  18           H        ALA  18  -8.193  -0.041   0.387
  123    HA   ALA  18           HA       ALA  18 -10.821  -0.776  -0.661
  124    HB1  ALA  18           3HB      ALA  18 -10.202  -0.157  -2.989
  125    HB2  ALA  18           1HB      ALA  18 -10.287   1.284  -1.962
  126    HB3  ALA  18           2HB      ALA  18  -8.707   0.596  -2.398
  127    H    GLU  19           H        GLU  19 -10.387  -2.493  -2.479
  128    HA   GLU  19           HA       GLU  19  -7.890  -3.994  -2.059
  129    HB2  GLU  19           2HB      GLU  19  -9.642  -4.641  -0.308
  130    HB3  GLU  19           3HB      GLU  19 -10.657  -5.214  -1.625
  131    HG2  GLU  19           2HG      GLU  19  -8.901  -6.844  -2.274
  132    HG3  GLU  19           3HG      GLU  19  -7.856  -6.235  -0.987
  133    H    LYS  20           H        LYS  20  -7.301  -5.107  -3.941
  134    HA   LYS  20           HA       LYS  20  -9.284  -5.494  -6.096
  135    HB2  LYS  20           2HB      LYS  20  -6.763  -3.798  -6.441
  136    HB3  LYS  20           3HB      LYS  20  -7.762  -4.410  -7.756
  137    HG2  LYS  20           2HG      LYS  20  -9.719  -3.109  -6.759
  138    HG3  LYS  20           3HG      LYS  20  -8.565  -2.381  -5.637
  139    HD2  LYS  20           2HD      LYS  20  -8.892  -0.836  -7.436
  140    HD3  LYS  20           3HD      LYS  20  -7.263  -1.489  -7.562
  141    HE2  LYS  20           2HE      LYS  20  -8.216  -1.340  -9.774
  142    HE3  LYS  20           3HE      LYS  20  -8.025  -3.044  -9.362
  143    HZ1  LYS  20           3HZ      LYS  20 -10.575  -1.521  -9.236
  144    HZ2  LYS  20           1HZ      LYS  20 -10.169  -2.590 -10.393
  145    HZ3  LYS  20           2HZ      LYS  20 -10.417  -3.108  -8.871
  146    H    THR  21           H        THR  21  -8.576  -6.976  -7.695
  147    HA   THR  21           HA       THR  21  -6.370  -8.768  -6.981
  148    HB   THR  21           HB       THR  21  -7.284  -9.863  -9.182
  149    HG1  THR  21           1HG      THR  21  -8.612  -8.221  -9.912
  150   HG21  THR  21          3HG2      THR  21  -7.642 -10.824  -6.968
  151   HG22  THR  21          1HG2      THR  21  -8.994  -9.713  -6.657
  152   HG23  THR  21          2HG2      THR  21  -9.123 -10.955  -7.926
  153    H    PHE  22           H        PHE  22  -4.485  -8.975  -8.279
  154    HA   PHE  22           HA       PHE  22  -4.178  -7.229 -10.634
  155    HB2  PHE  22           2HB      PHE  22  -2.211  -7.179  -8.316
  156    HB3  PHE  22           3HB      PHE  22  -2.002  -6.375  -9.853
  157    HD1  PHE  22           1HD      PHE  22  -4.181  -4.724 -10.471
  158    HD2  PHE  22           2HD      PHE  22  -2.639  -5.745  -6.594
  159    HE1  PHE  22           1HE      PHE  22  -5.012  -2.567  -9.567
  160    HE2  PHE  22           2HE      PHE  22  -3.435  -3.596  -5.681
  161    HZ   PHE  22           HZ       PHE  22  -4.634  -1.983  -7.175
  162    H    SER  23           H        SER  23  -1.886  -7.645 -11.528
  163    HA   SER  23           HA       SER  23  -0.568 -10.127 -10.981
  164    HB2  SER  23           2HB      SER  23  -1.899  -9.674 -13.693
  165    HB3  SER  23           3HB      SER  23  -0.707 -10.942 -13.338
  166    HG   SER  23           HG       SER  23  -2.851 -10.804 -11.596
  167    H    TYR  24           H        TYR  24   1.391 -10.117 -12.780
  168    HA   TYR  24           HA       TYR  24   2.257  -7.301 -13.125
  169    HB2  TYR  24           2HB      TYR  24   3.836  -9.557 -11.877
  170    HB3  TYR  24           3HB      TYR  24   4.479  -7.962 -12.208
  171    HD1  TYR  24           1HD      TYR  24   2.948  -5.947 -11.190
  172    HD2  TYR  24           2HD      TYR  24   3.194  -9.982  -9.682
  173    HE1  TYR  24           1HE      TYR  24   2.041  -5.181  -9.013
  174    HE2  TYR  24           2HE      TYR  24   2.226  -9.236  -7.513
  175    HH   TYR  24           HH       TYR  24   1.348  -7.412  -6.308
  176    HA   PRO  25           HA       PRO  25   4.635  -6.553 -13.829
  177    HB2  PRO  25           2HB      PRO  25   5.274  -5.229 -16.138
  178    HB3  PRO  25           3HB      PRO  25   6.305  -6.481 -15.384
  179    HG2  PRO  25           2HG      PRO  25   4.363  -6.803 -17.685
  180    HG3  PRO  25           3HG      PRO  25   6.037  -7.423 -17.547
  181    HD2  PRO  25           2HD      PRO  25   3.859  -8.987 -17.018
  182    HD3  PRO  25           3HD      PRO  25   5.377  -9.155 -16.093
  183    H    LEU  26           H        LEU  26   2.356  -6.785 -16.560
  184    HA   LEU  26           HA       LEU  26   0.500  -5.682 -17.136
  185    HB2  LEU  26           2HB      LEU  26   0.248  -7.135 -14.827
  186    HB3  LEU  26           3HB      LEU  26  -0.416  -5.614 -14.295
  187    HG   LEU  26           HG       LEU  26  -2.152  -7.114 -15.002
  188   HD11  LEU  26          1HD1      LEU  26  -2.595  -4.770 -15.542
  189   HD12  LEU  26          2HD1      LEU  26  -1.898  -4.992 -17.167
  190   HD13  LEU  26          3HD1      LEU  26  -3.374  -5.860 -16.696
  191   HD21  LEU  26          3HD2      LEU  26  -0.881  -7.278 -17.766
  192   HD22  LEU  26          1HD2      LEU  26  -0.795  -8.535 -16.512
  193   HD23  LEU  26          2HD2      LEU  26  -2.357  -8.084 -17.208
  194    H    ASP  27           H        ASP  27   2.599  -3.760 -16.666
  195    HA   ASP  27           HA       ASP  27   3.071  -1.621 -16.163
  196    HB2  ASP  27           2HB      ASP  27   1.760  -1.372 -18.215
  197    HB3  ASP  27           3HB      ASP  27   0.282  -1.173 -17.269
  198    H    LEU  28           H        LEU  28   2.772  -2.694 -13.847
  199    HA   LEU  28           HA       LEU  28   1.400  -0.684 -12.151
  200    HB2  LEU  28           2HB      LEU  28  -0.151  -2.590 -12.380
  201    HB3  LEU  28           3HB      LEU  28   1.152  -3.721 -12.019
  202    HG   LEU  28           HG       LEU  28   1.312  -2.805  -9.704
  203   HD11  LEU  28          1HD1      LEU  28  -1.162  -1.193 -10.488
  204   HD12  LEU  28          2HD1      LEU  28  -0.545  -1.399  -8.835
  205   HD13  LEU  28          3HD1      LEU  28   0.416  -0.526 -10.025
  206   HD21  LEU  28          3HD2      LEU  28  -1.471  -3.722 -10.522
  207   HD22  LEU  28          1HD2      LEU  28  -0.075  -4.781 -10.247
  208   HD23  LEU  28          2HD2      LEU  28  -0.752  -3.848  -8.901
  209    H    LEU  29           H        LEU  29   2.653  -0.224 -10.285
  210    HA   LEU  29           HA       LEU  29   5.016  -1.914  -9.693
  211    HB2  LEU  29           2HB      LEU  29   5.704  -0.214 -11.399
  212    HB3  LEU  29           3HB      LEU  29   5.083   1.062 -10.353
  213    HG   LEU  29           HG       LEU  29   6.794   0.474  -8.627
  214   HD11  LEU  29          1HD1      LEU  29   7.207  -1.901  -9.161
  215   HD12  LEU  29          2HD1      LEU  29   7.842  -1.447 -10.757
  216   HD13  LEU  29          3HD1      LEU  29   8.702  -0.978  -9.274
  217   HD21  LEU  29          3HD2      LEU  29   7.208   2.246 -10.280
  218   HD22  LEU  29          1HD2      LEU  29   8.706   1.412  -9.844
  219   HD23  LEU  29          2HD2      LEU  29   7.913   1.058 -11.397
  220    H    LEU  30           H        LEU  30   5.653  -1.769  -7.557
  221    HA   LEU  30           HA       LEU  30   4.367   0.157  -5.704
  222    HB2  LEU  30           2HB      LEU  30   4.634  -2.868  -5.469
  223    HB3  LEU  30           3HB      LEU  30   4.752  -1.864  -4.040
  224    HG   LEU  30           HG       LEU  30   2.495  -1.004  -4.341
  225   HD11  LEU  30          1HD1      LEU  30   2.319  -2.907  -6.721
  226   HD12  LEU  30          2HD1      LEU  30   0.915  -2.180  -5.907
  227   HD13  LEU  30          3HD1      LEU  30   2.069  -1.147  -6.732
  228   HD21  LEU  30          3HD2      LEU  30   2.931  -3.020  -2.990
  229   HD22  LEU  30          1HD2      LEU  30   1.322  -3.063  -3.735
  230   HD23  LEU  30          2HD2      LEU  30   2.641  -4.042  -4.413
  231    H    LYS  31           H        LYS  31   5.869   0.667  -3.877
  232    HA   LYS  31           HA       LYS  31   8.624  -0.379  -4.115
  233    HB2  LYS  31           2HB      LYS  31   9.662   1.813  -4.266
  234    HB3  LYS  31           3HB      LYS  31   8.607   1.519  -5.628
  235    HG2  LYS  31           2HG      LYS  31   8.087   3.677  -5.222
  236    HG3  LYS  31           3HG      LYS  31   6.830   2.919  -4.246
  237    HD2  LYS  31           2HD      LYS  31   8.112   3.326  -2.201
  238    HD3  LYS  31           3HD      LYS  31   9.483   3.946  -3.125
  239    HE2  LYS  31           2HE      LYS  31   6.684   5.174  -3.129
  240    HE3  LYS  31           3HE      LYS  31   7.984   5.689  -2.052
  241    HZ1  LYS  31           3HZ      LYS  31   7.872   7.105  -3.984
  242    HZ2  LYS  31           1HZ      LYS  31   9.290   6.310  -3.998
  243    HZ3  LYS  31           2HZ      LYS  31   8.085   5.859  -5.009
  244    H    LEU  32           H        LEU  32   9.957   0.062  -2.270
  245    HA   LEU  32           HA       LEU  32   8.555   0.020   0.286
  246    HB2  LEU  32           2HB      LEU  32  10.398  -1.460   0.028
  247    HB3  LEU  32           3HB      LEU  32  11.420  -0.204  -0.668
  248    HG   LEU  32           HG       LEU  32  11.668   0.876   1.522
  249   HD11  LEU  32          1HD1      LEU  32  10.018  -1.458   2.583
  250   HD12  LEU  32          2HD1      LEU  32  10.986  -0.349   3.582
  251   HD13  LEU  32          3HD1      LEU  32   9.600   0.267   2.691
  252   HD21  LEU  32          3HD2      LEU  32  13.234  -0.908   0.757
  253   HD22  LEU  32          1HD2      LEU  32  13.090  -0.844   2.517
  254   HD23  LEU  32          2HD2      LEU  32  12.254  -2.121   1.610
  255    H    HIS  33           H        HIS  33   8.138   1.719   1.545
  256    HA   HIS  33           HA       HIS  33   9.992   3.909   1.812
  257    HB2  HIS  33           2HB      HIS  33   8.653   4.690  -0.160
  258    HB3  HIS  33           3HB      HIS  33   7.179   4.516   0.792
  259    HD1  HIS  33           1HD      HIS  33  10.389   6.691   0.680
  260    HD2  HIS  33           2HD      HIS  33   6.558   6.525   2.424
  261    HE1  HIS  33           1HE      HIS  33  10.027   8.930   1.829
  262    H    ASP  34           H        ASP  34   9.696   4.865   3.853
  263    HA   ASP  34           HA       ASP  34   9.153   4.907   6.041
  264    HB2  ASP  34           2HB      ASP  34   7.473   6.368   5.021
  265    HB3  ASP  34           3HB      ASP  34   6.348   5.016   4.891
  266    H    GLU  35           H        GLU  35   9.752   2.378   5.243
  267    HA   GLU  35           HA       GLU  35   9.698   0.209   5.687
  268    HB2  GLU  35           2HB      GLU  35   8.412   0.987   8.329
  269    HB3  GLU  35           3HB      GLU  35   9.296  -0.495   7.987
  270    HG2  GLU  35           2HG      GLU  35  10.419   2.323   8.125
  271    HG3  GLU  35           3HG      GLU  35  10.720   0.991   9.231
  272    H    ARG  36           H        ARG  36   7.074   1.464   4.577
  273    HA   ARG  36           HA       ARG  36   5.563  -1.099   4.600
  274    HB2  ARG  36           2HB      ARG  36   4.643   1.796   4.208
  275    HB3  ARG  36           3HB      ARG  36   3.610   0.373   4.001
  276    HG2  ARG  36           2HG      ARG  36   3.905  -0.247   6.348
  277    HG3  ARG  36           3HG      ARG  36   4.980   1.119   6.642
  278    HD2  ARG  36           2HD      ARG  36   2.186   1.497   5.569
  279    HD3  ARG  36           3HD      ARG  36   2.511   1.313   7.308
  280    HE   ARG  36           HE       ARG  36   4.225   3.330   6.408
  281   HH11  ARG  36          1HH2      ARG  36   0.703   2.835   6.777
  282   HH12  ARG  36          2HH2      ARG  36   0.396   4.519   7.079
  283   HH21  ARG  36          1HH1      ARG  36   3.746   5.533   6.885
  284   HH22  ARG  36          2HH1      ARG  36   2.073   6.052   7.013
  285    H    VAL  37           H        VAL  37   4.170  -0.790   2.260
  286    HA   VAL  37           HA       VAL  37   6.116   0.165   0.262
  287    HB   VAL  37           HB       VAL  37   5.504  -1.583  -1.314
  288   HG11  VAL  37          1HG1      VAL  37   6.889  -3.359  -0.409
  289   HG12  VAL  37          2HG1      VAL  37   7.569  -1.805   0.021
  290   HG13  VAL  37          3HG1      VAL  37   6.687  -2.735   1.245
  291   HG21  VAL  37          3HG2      VAL  37   4.131  -3.002   1.009
  292   HG22  VAL  37          1HG2      VAL  37   3.334  -2.276  -0.401
  293   HG23  VAL  37          2HG2      VAL  37   4.402  -3.652  -0.630
  294    H    LEU  38           H        LEU  38   5.197   1.260  -1.414
  295    HA   LEU  38           HA       LEU  38   2.341   1.992  -1.001
  296    HB2  LEU  38           2HB      LEU  38   4.524   3.772  -2.129
  297    HB3  LEU  38           3HB      LEU  38   2.866   4.210  -1.744
  298    HG   LEU  38           HG       LEU  38   5.101   3.593   0.207
  299   HD11  LEU  38          1HD1      LEU  38   4.838   5.962   0.839
  300   HD12  LEU  38          2HD1      LEU  38   5.208   5.806  -0.884
  301   HD13  LEU  38          3HD1      LEU  38   3.544   6.150  -0.360
  302   HD21  LEU  38          3HD2      LEU  38   2.193   4.216   0.814
  303   HD22  LEU  38          1HD2      LEU  38   3.120   2.767   1.279
  304   HD23  LEU  38          2HD2      LEU  38   3.510   4.322   2.004
  305    H    VAL  39           H        VAL  39   1.108   2.210  -2.903
  306    HA   VAL  39           HA       VAL  39   2.030   0.919  -5.329
  307    HB   VAL  39           HB       VAL  39  -0.314   2.833  -4.971
  308   HG11  VAL  39          1HG1      VAL  39   0.314   0.661  -7.032
  309   HG12  VAL  39          2HG1      VAL  39  -1.225   1.524  -6.911
  310   HG13  VAL  39          3HG1      VAL  39   0.252   2.416  -7.313
  311   HG21  VAL  39          3HG2      VAL  39  -1.726   0.805  -4.691
  312   HG22  VAL  39          1HG2      VAL  39  -0.258  -0.198  -4.599
  313   HG23  VAL  39          2HG2      VAL  39  -0.612   1.018  -3.349
  314    H    ALA  40           H        ALA  40   3.251   1.846  -6.952
  315    HA   ALA  40           HA       ALA  40   4.122   4.650  -6.461
  316    HB1  ALA  40           3HB      ALA  40   6.211   3.956  -7.489
  317    HB2  ALA  40           1HB      ALA  40   5.772   2.768  -6.242
  318    HB3  ALA  40           2HB      ALA  40   5.518   2.392  -7.955
  319    H    PHE  41           H        PHE  41   3.020   2.431  -9.038
  320    HA   PHE  41           HA       PHE  41   2.204   4.702 -10.672
  321    HB2  PHE  41           2HB      PHE  41   4.690   4.314 -11.200
  322    HB3  PHE  41           3HB      PHE  41   4.230   2.737 -11.825
  323    HD1  PHE  41           2HD      PHE  41   3.662   6.421 -12.204
  324    HD2  PHE  41           1HD      PHE  41   3.361   2.541 -14.077
  325    HE1  PHE  41           2HE      PHE  41   3.103   7.504 -14.367
  326    HE2  PHE  41           1HE      PHE  41   2.803   3.632 -16.232
  327    HZ   PHE  41           HZ       PHE  41   2.671   6.111 -16.385
  328    H    GLY  42           H        GLY  42   0.809   3.996 -12.430
  329    HA2  GLY  42           2HA      GLY  42  -0.538   2.563 -13.605
  330    HA3  GLY  42           3HA      GLY  42   0.306   1.195 -12.863
  331    H    GLN  43           H        GLN  43  -1.059   3.483 -10.618
  332    HA   GLN  43           HA       GLN  43  -2.665   1.472  -9.407
  333    HB2  GLN  43           2HB      GLN  43  -1.638   3.403  -8.225
  334    HB3  GLN  43           3HB      GLN  43  -2.760   4.498  -9.024
  335    HG2  GLN  43           2HG      GLN  43  -4.662   3.356  -7.959
  336    HG3  GLN  43           3HG      GLN  43  -3.584   2.151  -7.236
  337   HE21  GLN  43          2HE2      GLN  43  -4.311   5.663  -7.317
  338   HE22  GLN  43          1HE2      GLN  43  -3.715   6.010  -5.702
  339    H    ARG  44           H        ARG  44  -4.274   0.588 -10.644
  340    HA   ARG  44           HA       ARG  44  -5.945   2.051 -12.435
  341    HB2  ARG  44           2HB      ARG  44  -6.553  -0.587 -11.024
  342    HB3  ARG  44           3HB      ARG  44  -7.343   0.030 -12.471
  343    HG2  ARG  44           2HG      ARG  44  -4.474  -0.959 -12.220
  344    HG3  ARG  44           3HG      ARG  44  -5.808  -1.681 -13.117
  345    HD2  ARG  44           2HD      ARG  44  -5.846   0.503 -14.499
  346    HD3  ARG  44           3HD      ARG  44  -4.275   0.865 -13.779
  347    HE   ARG  44           HE       ARG  44  -4.958  -1.130 -15.799
  348   HH11  ARG  44          1HH1      ARG  44  -2.418  -0.212 -13.444
  349   HH12  ARG  44          2HH1      ARG  44  -1.156  -0.966 -14.358
  350   HH21  ARG  44          1HH2      ARG  44  -3.274  -2.277 -16.855
  351   HH22  ARG  44          2HH2      ARG  44  -1.713  -2.395 -16.097
  352    H    ASP  45           H        ASP  45  -6.167   1.566  -8.965
  353    HA   ASP  45           HA       ASP  45  -8.895   2.159  -8.545
  354    HB2  ASP  45           2HB      ASP  45  -7.559   1.213  -6.803
  355    HB3  ASP  45           3HB      ASP  45  -6.425   2.559  -6.832
  356    H    GLY  46           H        GLY  46  -6.175   4.409  -9.218
  357    HA2  GLY  46           2HA      GLY  46  -7.653   6.461 -10.198
  358    HA3  GLY  46           3HA      GLY  46  -7.674   6.794  -8.458
  359    H    ILE  47           H        ILE  47  -6.485   8.603 -10.166
  360    HA   ILE  47           HA       ILE  47  -3.793   8.073 -10.767
  361    HB   ILE  47           HB       ILE  47  -3.585  10.324 -11.421
  362   HG12  ILE  47          2HG1      ILE  47  -4.431  11.591  -9.554
  363   HG13  ILE  47          3HG1      ILE  47  -5.141  12.120 -11.061
  364   HG21  ILE  47          1HG2      ILE  47  -5.418  10.571 -12.985
  365   HG22  ILE  47          2HG2      ILE  47  -4.944   8.872 -12.847
  366   HG23  ILE  47          3HG2      ILE  47  -6.429   9.446 -12.064
  367   HD11  ILE  47          3HD1      ILE  47  -7.264  10.932 -10.483
  368   HD12  ILE  47          1HD1      ILE  47  -6.543  10.470  -8.918
  369   HD13  ILE  47          2HD1      ILE  47  -6.802  12.171  -9.307
  370    H    ARG  48           H        ARG  48  -5.080   8.999  -7.664
  371    HA   ARG  48           HA       ARG  48  -2.607  10.264  -6.742
  372    HB2  ARG  48           2HB      ARG  48  -5.091   9.403  -5.203
  373    HB3  ARG  48           3HB      ARG  48  -3.671  10.189  -4.506
  374    HG2  ARG  48           2HG      ARG  48  -4.053  12.087  -6.228
  375    HG3  ARG  48           3HG      ARG  48  -5.632  11.344  -6.515
  376    HD2  ARG  48           2HD      ARG  48  -5.961  13.070  -4.891
  377    HD3  ARG  48           3HD      ARG  48  -6.091  11.532  -4.036
  378    HE   ARG  48           HE       ARG  48  -3.567  13.151  -4.107
  379   HH11  ARG  48          1HH1      ARG  48  -6.050  11.561  -2.122
  380   HH12  ARG  48          2HH1      ARG  48  -5.209  11.820  -0.627
  381   HH21  ARG  48          1HH2      ARG  48  -2.463  13.471  -2.131
  382   HH22  ARG  48          2HH2      ARG  48  -3.134  12.937  -0.626
  383    H    VAL  49           H        VAL  49  -1.271   8.466  -7.531
  384    HA   VAL  49           HA       VAL  49  -1.056   5.942  -6.236
  385    HB   VAL  49           HB       VAL  49   1.357   6.119  -6.882
  386   HG11  VAL  49          1HG1      VAL  49  -0.642   6.856  -9.063
  387   HG12  VAL  49          2HG1      VAL  49   0.973   6.165  -9.315
  388   HG13  VAL  49          3HG1      VAL  49  -0.257   5.226  -8.462
  389   HG21  VAL  49          3HG2      VAL  49   2.192   7.980  -8.186
  390   HG22  VAL  49          1HG2      VAL  49   0.654   8.853  -8.048
  391   HG23  VAL  49          2HG2      VAL  49   1.667   8.583  -6.611
  392    H    GLY  50           H        GLY  50   0.774   5.386  -4.657
  393    HA2  GLY  50           2HA      GLY  50   2.128   6.004  -2.857
  394    HA3  GLY  50           3HA      GLY  50   1.212   7.485  -2.605
  395    H    HIS  51           H        HIS  51  -1.031   4.915  -3.041
  396    HA   HIS  51           HA       HIS  51  -1.830   4.929  -0.259
  397    HB2  HIS  51           2HB      HIS  51  -2.498   3.053  -2.568
  398    HB3  HIS  51           3HB      HIS  51  -3.149   2.877  -0.944
  399    HD1  HIS  51           1HD      HIS  51  -4.136   4.375  -4.078
  400    HD2  HIS  51           2HD      HIS  51  -4.436   5.336  -0.001
  401    HE1  HIS  51           1HE      HIS  51  -6.116   5.983  -3.860
  402    H    ALA  52           H        ALA  52  -1.329   3.457   1.359
  403    HA   ALA  52           HA       ALA  52   1.135   1.869   0.967
  404    HB1  ALA  52           3HB      ALA  52   1.014   1.612   3.435
  405    HB2  ALA  52           1HB      ALA  52   0.990   3.324   2.976
  406    HB3  ALA  52           2HB      ALA  52  -0.517   2.510   3.461
  407    H    VAL  53           H        VAL  53   1.126  -0.360   0.989
  408    HA   VAL  53           HA       VAL  53  -1.379  -1.796   0.736
  409    HB   VAL  53           HB       VAL  53   1.489  -2.734   1.115
  410   HG11  VAL  53          1HG1      VAL  53  -0.999  -4.362   0.417
  411   HG12  VAL  53          2HG1      VAL  53   0.674  -4.941   0.263
  412   HG13  VAL  53          3HG1      VAL  53   0.025  -4.554   1.854
  413   HG21  VAL  53          3HG2      VAL  53   1.261  -3.295  -1.314
  414   HG22  VAL  53          1HG2      VAL  53  -0.345  -2.543  -1.330
  415   HG23  VAL  53          2HG2      VAL  53   1.099  -1.558  -1.027
  416    H    LEU  54           H        LEU  54  -2.314  -3.176   2.177
  417    HA   LEU  54           HA       LEU  54  -1.692  -2.873   5.081
  418    HB2  LEU  54           2HB      LEU  54  -4.413  -2.963   3.702
  419    HB3  LEU  54           3HB      LEU  54  -4.148  -2.932   5.440
  420    HG   LEU  54           HG       LEU  54  -3.392  -0.684   3.521
  421   HD11  LEU  54          1HD1      LEU  54  -5.719  -0.928   5.468
  422   HD12  LEU  54          2HD1      LEU  54  -5.306   0.510   4.511
  423   HD13  LEU  54          3HD1      LEU  54  -5.823  -0.974   3.695
  424   HD21  LEU  54          3HD2      LEU  54  -3.365  -0.777   6.570
  425   HD22  LEU  54          1HD2      LEU  54  -1.945  -0.657   5.506
  426   HD23  LEU  54          2HD2      LEU  54  -3.102   0.673   5.575
  427    H    ALA  55           H        ALA  55  -2.993  -4.939   2.393
  428    HA   ALA  55           HA       ALA  55  -2.064  -7.267   3.921
  429    HB1  ALA  55           3HB      ALA  55  -4.473  -7.004   4.616
  430    HB2  ALA  55           1HB      ALA  55  -4.942  -7.165   2.904
  431    HB3  ALA  55           2HB      ALA  55  -4.159  -8.504   3.734
  432    H    ILE  56           H        ILE  56  -1.948  -9.196   2.600
  433    HA   ILE  56           HA       ILE  56  -2.203  -8.854  -0.334
  434    HB   ILE  56           HB       ILE  56   0.259  -9.933   1.121
  435   HG12  ILE  56          2HG1      ILE  56  -0.042  -7.527  -0.731
  436   HG13  ILE  56          3HG1      ILE  56   0.222  -7.469   1.004
  437   HG21  ILE  56          1HG2      ILE  56  -0.442  -9.941  -1.852
  438   HG22  ILE  56          2HG2      ILE  56   1.143 -10.400  -1.182
  439   HG23  ILE  56          3HG2      ILE  56  -0.274 -11.351  -0.803
  440   HD11  ILE  56          3HD1      ILE  56   2.314  -7.034  -0.018
  441   HD12  ILE  56          1HD1      ILE  56   2.415  -8.670   0.673
  442   HD13  ILE  56          2HD1      ILE  56   2.206  -8.447  -1.076
  443    H    ASN  57           H        ASN  57  -3.081 -10.647  -1.205
  444    HA   ASN  57           HA       ASN  57  -4.362 -12.494  -1.311
  445    HB2  ASN  57           2HB      ASN  57  -1.863 -13.689  -0.080
  446    HB3  ASN  57           3HB      ASN  57  -3.118 -14.609  -0.902
  447   HD21  ASN  57          2HD2      ASN  57  -0.428 -14.670  -1.725
  448   HD22  ASN  57          1HD2      ASN  57  -0.321 -13.998  -3.323
  449    H    GLY  58           H        GLY  58  -4.941 -10.970   1.052
  450    HA2  GLY  58           2HA      GLY  58  -6.666 -11.246   2.574
  451    HA3  GLY  58           3HA      GLY  58  -6.521 -13.001   2.455
  452    H    MET  59           H        MET  59  -3.431 -11.612   3.069
  453    HA   MET  59           HA       MET  59  -3.692 -12.056   6.014
  454    HB2  MET  59           2HB      MET  59  -1.285 -12.406   4.173
  455    HB3  MET  59           3HB      MET  59  -1.264 -12.574   5.929
  456    HG2  MET  59           2HG      MET  59  -2.875 -14.297   4.005
  457    HG3  MET  59           3HG      MET  59  -1.348 -14.742   4.760
  458    HE1  MET  59           3HE      MET  59  -3.952 -17.141   6.454
  459    HE2  MET  59           1HE      MET  59  -3.996 -16.532   4.785
  460    HE3  MET  59           2HE      MET  59  -2.450 -17.030   5.511
  461    H    ASP  60           H        ASP  60  -3.568 -10.224   7.127
  462    HA   ASP  60           HA       ASP  60  -2.827  -7.630   6.236
  463    HB2  ASP  60           2HB      ASP  60  -4.117  -7.977   8.251
  464    HB3  ASP  60           3HB      ASP  60  -2.851  -8.974   8.963
  465    H    VAL  61           H        VAL  61  -0.804  -6.617   6.054
  466    HA   VAL  61           HA       VAL  61   1.531  -8.422   6.478
  467    HB   VAL  61           HB       VAL  61   2.724  -7.053   4.855
  468   HG11  VAL  61          1HG1      VAL  61   1.483  -9.138   4.215
  469   HG12  VAL  61          2HG1      VAL  61   0.120  -8.132   3.712
  470   HG13  VAL  61          3HG1      VAL  61   1.689  -7.978   2.894
  471   HG21  VAL  61          3HG2      VAL  61   0.093  -5.703   4.170
  472   HG22  VAL  61          1HG2      VAL  61   1.431  -4.914   5.033
  473   HG23  VAL  61          2HG2      VAL  61   1.666  -5.489   3.381
  474    H    ASN  62           H        ASN  62   3.394  -7.682   7.415
  475    HA   ASN  62           HA       ASN  62   3.167  -5.565   9.451
  476    HB2  ASN  62           2HB      ASN  62   4.150  -7.736  10.096
  477    HB3  ASN  62           3HB      ASN  62   5.328  -7.606   8.789
  478   HD21  ASN  62          2HD2      ASN  62   7.004  -7.813  10.458
  479   HD22  ASN  62          1HD2      ASN  62   7.446  -6.429  11.422
  480    H    GLY  63           H        GLY  63   2.768  -4.231   7.373
  481    HA2  GLY  63           2HA      GLY  63   3.420  -2.624   5.890
  482    HA3  GLY  63           3HA      GLY  63   4.919  -2.492   6.823
  483    H    ARG  64           H        ARG  64   6.774  -3.263   5.949
  484    HA   ARG  64           HA       ARG  64   6.743  -4.014   3.131
  485    HB2  ARG  64           2HB      ARG  64   9.151  -3.724   3.245
  486    HB3  ARG  64           3HB      ARG  64   8.341  -2.351   4.005
  487    HG2  ARG  64           2HG      ARG  64   8.766  -3.382   6.258
  488    HG3  ARG  64           3HG      ARG  64   9.614  -4.707   5.469
  489    HD2  ARG  64           2HD      ARG  64  10.431  -1.798   5.221
  490    HD3  ARG  64           3HD      ARG  64  11.049  -2.894   6.461
  491    HE   ARG  64           HE       ARG  64  11.426  -4.073   3.891
  492   HH11  ARG  64          1HH1      ARG  64  12.740  -1.476   5.963
  493   HH12  ARG  64          2HH1      ARG  64  14.361  -1.677   5.377
  494   HH21  ARG  64          1HH2      ARG  64  13.506  -4.289   3.098
  495   HH22  ARG  64          2HH2      ARG  64  14.819  -3.306   3.695
  496    H    TYR  65           H        TYR  65   6.490  -5.824   5.975
  497    HA   TYR  65           HA       TYR  65   7.668  -8.195   4.592
  498    HB2  TYR  65           2HB      TYR  65   7.425  -7.832   7.584
  499    HB3  TYR  65           3HB      TYR  65   8.243  -9.128   6.728
  500    HD1  TYR  65           1HD      TYR  65  10.117  -8.087   4.925
  501    HD2  TYR  65           2HD      TYR  65   8.844  -6.305   8.638
  502    HE1  TYR  65           1HE      TYR  65  12.198  -6.723   4.979
  503    HE2  TYR  65           2HE      TYR  65  10.970  -5.047   8.767
  504    HH   TYR  65           HH       TYR  65  13.033  -4.628   7.777
  505    H    THR  66           H        THR  66   6.405 -10.147   4.632
  506    HA   THR  66           HA       THR  66   3.558  -9.771   4.908
  507    HB   THR  66           HB       THR  66   3.441 -12.204   4.474
  508    HG1  THR  66           1HG      THR  66   5.294 -13.364   4.156
  509   HG21  THR  66          3HG2      THR  66   4.409 -12.247   2.241
  510   HG22  THR  66          1HG2      THR  66   3.615 -10.698   2.550
  511   HG23  THR  66          2HG2      THR  66   5.397 -10.816   2.600
  512    H    ALA  67           H        ALA  67   2.333 -11.580   6.205
  513    HA   ALA  67           HA       ALA  67   2.721 -11.325   9.005
  514    HB1  ALA  67           3HB      ALA  67   1.125 -13.239   9.090
  515    HB2  ALA  67           1HB      ALA  67   0.586 -12.018   7.916
  516    HB3  ALA  67           2HB      ALA  67   1.369 -13.511   7.348
  517    H    ASP  68           H        ASP  68   3.856 -13.720   6.628
  518    HA   ASP  68           HA       ASP  68   5.109 -15.489   8.553
  519    HB2  ASP  68           2HB      ASP  68   4.355 -16.294   6.363
  520    HB3  ASP  68           3HB      ASP  68   5.483 -15.207   5.547
  521    H    GLY  69           H        GLY  69   6.231 -12.779   6.505
  522    HA2  GLY  69           2HA      GLY  69   7.919 -11.357   7.595
  523    HA3  GLY  69           3HA      GLY  69   8.864 -12.805   7.941
  524    H    LYS  70           H        LYS  70   7.433 -13.021   4.825
  525    HA   LYS  70           HA       LYS  70   9.952 -12.768   3.389
  526    HB2  LYS  70           2HB      LYS  70   7.028 -12.731   2.467
  527    HB3  LYS  70           3HB      LYS  70   8.388 -12.747   1.377
  528    HG2  LYS  70           2HG      LYS  70   7.647 -14.961   3.340
  529    HG3  LYS  70           3HG      LYS  70   7.328 -14.957   1.616
  530    HD2  LYS  70           2HD      LYS  70  10.014 -15.179   2.993
  531    HD3  LYS  70           3HD      LYS  70   9.183 -16.371   1.975
  532    HE2  LYS  70           2HE      LYS  70   9.471 -14.913  -0.008
  533    HE3  LYS  70           3HE      LYS  70  10.245 -13.682   0.994
  534    HZ1  LYS  70           3HZ      LYS  70  11.998 -15.341   1.478
  535    HZ2  LYS  70           1HZ      LYS  70  11.340 -16.344   0.360
  536    HZ3  LYS  70           2HZ      LYS  70  11.923 -14.867  -0.082
  537    H    GLU  71           H        GLU  71  10.694 -10.881   2.231
  538    HA   GLU  71           HA       GLU  71   9.442  -8.336   2.922
  539    HB2  GLU  71           2HB      GLU  71  11.854  -8.444   2.537
  540    HB3  GLU  71           3HB      GLU  71  11.599  -9.004   0.871
  541    HG2  GLU  71           2HG      GLU  71  10.608  -6.908   0.221
  542    HG3  GLU  71           3HG      GLU  71  10.396  -6.402   1.896
  543    H    VAL  72           H        VAL  72   7.704  -7.496   1.905
  544    HA   VAL  72           HA       VAL  72   6.202  -9.165   0.267
  545    HB   VAL  72           HB       VAL  72   4.658  -7.312   0.043
  546   HG11  VAL  72          1HG1      VAL  72   4.192  -6.929   2.428
  547   HG12  VAL  72          2HG1      VAL  72   4.606  -8.612   2.093
  548   HG13  VAL  72          3HG1      VAL  72   5.800  -7.544   2.845
  549   HG21  VAL  72          3HG2      VAL  72   6.862  -5.583   1.216
  550   HG22  VAL  72          1HG2      VAL  72   6.005  -5.408  -0.326
  551   HG23  VAL  72          2HG2      VAL  72   5.147  -5.136   1.199
  552    H    LEU  73           H        LEU  73   8.502  -6.632  -0.731
  553    HA   LEU  73           HA       LEU  73   7.636  -6.517  -3.468
  554    HB2  LEU  73           2HB      LEU  73  10.407  -6.037  -2.294
  555    HB3  LEU  73           3HB      LEU  73   9.908  -5.633  -3.934
  556    HG   LEU  73           HG       LEU  73   8.807  -4.402  -1.377
  557   HD11  LEU  73          1HD1      LEU  73  10.561  -3.241  -3.582
  558   HD12  LEU  73          2HD1      LEU  73   9.933  -2.367  -2.169
  559   HD13  LEU  73          3HD1      LEU  73  11.091  -3.684  -1.944
  560   HD21  LEU  73          3HD2      LEU  73   7.646  -2.784  -2.891
  561   HD22  LEU  73          1HD2      LEU  73   8.111  -3.780  -4.285
  562   HD23  LEU  73          2HD2      LEU  73   7.009  -4.420  -3.044
  563    H    GLU  74           H        GLU  74   9.889  -8.723  -1.740
  564    HA   GLU  74           HA       GLU  74  10.710 -10.087  -4.184
  565    HB2  GLU  74           2HB      GLU  74  12.086 -10.033  -2.091
  566    HB3  GLU  74           3HB      GLU  74  10.853 -11.004  -1.274
  567    HG2  GLU  74           2HG      GLU  74  11.192 -12.815  -2.971
  568    HG3  GLU  74           3HG      GLU  74  12.442 -11.839  -3.743
  569    H    TYR  75           H        TYR  75   8.315 -10.580  -1.567
  570    HA   TYR  75           HA       TYR  75   7.345 -13.089  -2.332
  571    HB2  TYR  75           2HB      TYR  75   6.888 -11.765  -0.211
  572    HB3  TYR  75           3HB      TYR  75   5.742 -10.799  -1.129
  573    HD1  TYR  75           2HD      TYR  75   6.520 -14.429  -0.509
  574    HD2  TYR  75           1HD      TYR  75   3.478 -11.392  -0.912
  575    HE1  TYR  75           2HE      TYR  75   4.810 -16.081   0.124
  576    HE2  TYR  75           1HE      TYR  75   1.748 -13.029  -0.289
  577    HH   TYR  75           HH       TYR  75   1.311 -15.236   0.387
  578    H    LEU  76           H        LEU  76   6.235  -9.844  -3.375
  579    HA   LEU  76           HA       LEU  76   4.216 -10.882  -5.202
  580    HB2  LEU  76           2HB      LEU  76   5.486  -8.132  -4.817
  581    HB3  LEU  76           3HB      LEU  76   4.156  -8.454  -5.919
  582    HG   LEU  76           HG       LEU  76   4.007  -8.860  -2.891
  583   HD11  LEU  76          1HD1      LEU  76   4.243  -6.494  -3.457
  584   HD12  LEU  76          2HD1      LEU  76   2.930  -6.617  -4.644
  585   HD13  LEU  76          3HD1      LEU  76   2.593  -6.833  -2.914
  586   HD21  LEU  76          3HD2      LEU  76   1.560  -8.998  -3.302
  587   HD22  LEU  76          1HD2      LEU  76   1.887  -9.069  -5.047
  588   HD23  LEU  76          2HD2      LEU  76   2.469 -10.353  -3.964
  589    H    GLY  77           H        GLY  77   7.628  -9.836  -5.453
  590    HA2  GLY  77           2HA      GLY  77   7.769  -9.695  -8.284
  591    HA3  GLY  77           3HA      GLY  77   9.114  -9.920  -7.151
  592    H    ASN  78           H        ASN  78   7.987 -12.447  -6.035
  593    HA   ASN  78           HA       ASN  78   9.047 -14.423  -7.783
  594    HB2  ASN  78           2HB      ASN  78   8.806 -14.766  -5.370
  595    HB3  ASN  78           3HB      ASN  78   7.048 -14.618  -5.491
  596   HD21  ASN  78          2HD2      ASN  78   7.492 -16.818  -4.280
  597   HD22  ASN  78          1HD2      ASN  78   7.521 -18.225  -5.309
  598    HA   PRO  79           HA       PRO  79   5.414 -14.169 -10.398
  599    HB2  PRO  79           2HB      PRO  79   6.112 -15.639 -12.564
  600    HB3  PRO  79           3HB      PRO  79   6.773 -14.014 -12.188
  601    HG2  PRO  79           2HG      PRO  79   8.008 -16.728 -11.541
  602    HG3  PRO  79           3HG      PRO  79   8.800 -15.324 -12.327
  603    HD2  PRO  79           2HD      PRO  79   9.023 -15.827  -9.641
  604    HD3  PRO  79           3HD      PRO  79   8.971 -14.163 -10.291
  605    H    ALA  80           H        ALA  80   6.507 -17.076  -8.854
  606    HA   ALA  80           HA       ALA  80   4.279 -18.757  -9.599
  607    HB1  ALA  80           3HB      ALA  80   6.340 -19.559  -8.400
  608    HB2  ALA  80           1HB      ALA  80   5.809 -18.648  -6.962
  609    HB3  ALA  80           2HB      ALA  80   4.833 -19.995  -7.568
  610    H    ASN  81           H        ASN  81   4.525 -15.821  -7.850
  611    HA   ASN  81           HA       ASN  81   1.771 -15.963  -6.771
  612    HB2  ASN  81           2HB      ASN  81   3.462 -16.340  -4.971
  613    HB3  ASN  81           3HB      ASN  81   4.296 -14.868  -5.464
  614   HD21  ASN  81          2HD2      ASN  81   4.022 -13.491  -3.824
  615   HD22  ASN  81          1HD2      ASN  81   2.514 -13.159  -2.982
  616    H    TYR  82           H        TYR  82   2.793 -14.968  -9.381
  617    HA   TYR  82           HA       TYR  82   2.784 -12.070  -9.232
  618    HB2  TYR  82           2HB      TYR  82   2.736 -14.115 -11.413
  619    HB3  TYR  82           3HB      TYR  82   1.868 -12.643 -11.752
  620    HD1  TYR  82           1HD      TYR  82   4.806 -11.921  -9.668
  621    HD2  TYR  82           2HD      TYR  82   3.440 -12.669 -13.704
  622    HE1  TYR  82           1HE      TYR  82   6.792 -10.800 -10.550
  623    HE2  TYR  82           2HE      TYR  82   5.452 -11.558 -14.589
  624    HH   TYR  82           HH       TYR  82   7.446 -10.452 -14.069
  625    HA   PRO  83           HA       PRO  83  -1.851 -12.285 -10.087
  626    HB2  PRO  83           2HB      PRO  83  -3.296 -14.599  -9.774
  627    HB3  PRO  83           3HB      PRO  83  -2.566 -14.086 -11.324
  628    HG2  PRO  83           2HG      PRO  83  -1.469 -16.062  -9.309
  629    HG3  PRO  83           3HG      PRO  83  -1.553 -16.222 -11.090
  630    HD2  PRO  83           2HD      PRO  83   0.712 -15.451  -9.797
  631    HD3  PRO  83           3HD      PRO  83   0.282 -14.784 -11.399
  632    H    VAL  84           H        VAL  84  -2.742 -11.298  -8.327
  633    HA   VAL  84           HA       VAL  84  -2.699 -12.595  -5.662
  634    HB   VAL  84           HB       VAL  84  -1.571 -10.536  -4.737
  635   HG11  VAL  84          1HG1      VAL  84   0.668 -11.228  -5.172
  636   HG12  VAL  84          2HG1      VAL  84  -0.361 -12.662  -5.101
  637   HG13  VAL  84          3HG1      VAL  84   0.189 -12.038  -6.667
  638   HG21  VAL  84          3HG2      VAL  84  -0.885  -9.908  -7.645
  639   HG22  VAL  84          1HG2      VAL  84  -1.936  -8.953  -6.584
  640   HG23  VAL  84          2HG2      VAL  84  -0.215  -9.115  -6.220
  641    H    SER  85           H        SER  85  -3.611 -11.113  -4.012
  642    HA   SER  85           HA       SER  85  -5.577  -9.126  -5.027
  643    HB2  SER  85           2HB      SER  85  -5.975 -11.027  -2.675
  644    HB3  SER  85           3HB      SER  85  -7.122  -9.812  -3.270
  645    HG   SER  85           HG       SER  85  -7.597 -11.953  -3.995
  646    H    ILE  86           H        ILE  86  -5.291  -7.164  -3.951
  647    HA   ILE  86           HA       ILE  86  -3.400  -7.118  -1.634
  648    HB   ILE  86           HB       ILE  86  -3.504  -5.105  -3.909
  649   HG12  ILE  86          2HG1      ILE  86  -2.570  -7.205  -4.823
  650   HG13  ILE  86          3HG1      ILE  86  -1.417  -5.878  -4.783
  651   HG21  ILE  86          1HG2      ILE  86  -1.545  -5.449  -1.600
  652   HG22  ILE  86          2HG2      ILE  86  -1.358  -4.285  -2.929
  653   HG23  ILE  86          3HG2      ILE  86  -2.711  -4.138  -1.803
  654   HD11  ILE  86          3HD1      ILE  86  -0.211  -6.818  -2.963
  655   HD12  ILE  86          1HD1      ILE  86  -1.458  -8.066  -2.698
  656   HD13  ILE  86          2HD1      ILE  86  -0.464  -8.082  -4.169
  657    H    ARG  87           H        ARG  87  -4.049  -5.764  -0.029
  658    HA   ARG  87           HA       ARG  87  -6.445  -4.038  -0.486
  659    HB2  ARG  87           2HB      ARG  87  -6.739  -6.000   1.168
  660    HB3  ARG  87           3HB      ARG  87  -5.548  -5.174   2.190
  661    HG2  ARG  87           2HG      ARG  87  -7.010  -3.180   2.308
  662    HG3  ARG  87           3HG      ARG  87  -8.174  -3.974   1.234
  663    HD2  ARG  87           2HD      ARG  87  -8.379  -5.832   2.950
  664    HD3  ARG  87           3HD      ARG  87  -7.367  -4.867   4.026
  665    HE   ARG  87           HE       ARG  87  -9.086  -3.293   4.310
  666   HH11  ARG  87          1HH2      ARG  87 -10.208  -5.815   1.985
  667   HH12  ARG  87          2HH2      ARG  87 -11.853  -5.292   2.118
  668   HH21  ARG  87          1HH1      ARG  87 -11.098  -2.673   4.417
  669   HH22  ARG  87          2HH1      ARG  87 -12.415  -3.438   3.543
  670    H    PHE  88           H        PHE  88  -6.045  -1.881  -0.057
  671    HA   PHE  88           HA       PHE  88  -3.517  -1.066   1.211
  672    HB2  PHE  88           2HB      PHE  88  -3.007   0.400  -0.776
  673    HB3  PHE  88           3HB      PHE  88  -2.787  -1.312  -1.055
  674    HD1  PHE  88           2HD      PHE  88  -5.140   1.543  -1.704
  675    HD2  PHE  88           1HD      PHE  88  -3.914  -2.442  -2.825
  676    HE1  PHE  88           2HE      PHE  88  -6.644   1.628  -3.667
  677    HE2  PHE  88           1HE      PHE  88  -5.478  -2.377  -4.745
  678    HZ   PHE  88           HZ       PHE  88  -6.842  -0.344  -5.175
  679    H    GLY  89           H        GLY  89  -3.519   1.402   1.449
  680    HA2  GLY  89           2HA      GLY  89  -6.024   2.818   1.221
  681    HA3  GLY  89           3HA      GLY  89  -5.744   2.222   2.867
  682    H    ARG  90           H        ARG  90  -5.845   4.667   3.130
  683    HA   ARG  90           HA       ARG  90  -3.788   6.368   2.129
  684    HB2  ARG  90           2HB      ARG  90  -5.170   6.682   4.807
  685    HB3  ARG  90           3HB      ARG  90  -4.449   7.949   3.815
  686    HG2  ARG  90           2HG      ARG  90  -7.047   6.460   3.424
  687    HG3  ARG  90           3HG      ARG  90  -6.794   8.158   3.740
  688    HD2  ARG  90           2HD      ARG  90  -5.675   8.282   1.416
  689    HD3  ARG  90           3HD      ARG  90  -6.327   6.647   1.144
  690    HE   ARG  90           HE       ARG  90  -8.211   8.675   2.143
  691   HH11  ARG  90          1HH2      ARG  90  -7.001   7.167  -0.886
  692   HH12  ARG  90          2HH2      ARG  90  -8.330   7.765  -1.805
  693   HH21  ARG  90          1HH1      ARG  90  -9.898   9.369   0.960
  694   HH22  ARG  90          2HH1      ARG  90 -10.059   9.017  -0.729
  695    HA   PRO  91           HA       PRO  91  -0.392   4.925   4.822
  696    HB2  PRO  91           2HB      PRO  91   0.857   7.555   4.088
  697    HB3  PRO  91           3HB      PRO  91   1.554   5.909   3.993
  698    HG2  PRO  91           2HG      PRO  91   0.732   7.227   1.761
  699    HG3  PRO  91           3HG      PRO  91   0.440   5.467   1.964
  700    HD2  PRO  91           2HD      PRO  91  -1.498   7.746   2.425
  701    HD3  PRO  91           3HD      PRO  91  -1.745   6.197   1.560
  702    H    ARG  92           H        ARG  92  -2.313   7.760   5.129
  703    HA   ARG  92           HA       ARG  92  -1.240   8.569   7.786
  704    HB2  ARG  92           2HB      ARG  92  -0.530  10.036   5.863
  705    HB3  ARG  92           3HB      ARG  92  -2.219  10.231   5.405
  706    HG2  ARG  92           2HG      ARG  92  -2.610  11.390   7.628
  707    HG3  ARG  92           3HG      ARG  92  -0.860  11.287   7.914
  708    HD2  ARG  92           2HD      ARG  92  -0.491  12.566   5.792
  709    HD3  ARG  92           3HD      ARG  92  -2.247  12.633   5.552
  710    HE   ARG  92           HE       ARG  92  -1.235  13.689   8.102
  711   HH11  ARG  92          1HH1      ARG  92  -2.270  14.534   4.770
  712   HH12  ARG  92          2HH1      ARG  92  -2.429  16.221   5.157
  713   HH21  ARG  92          2HH2      ARG  92  -1.530  15.903   8.558
  714   HH22  ARG  92          1HH2      ARG  92  -2.046  16.997   7.337
  715    H    LEU  93           H        LEU  93  -3.006   9.522   9.156
  716    HA   LEU  93           HA       LEU  93  -5.508   8.205   8.954
  717    HB2  LEU  93           2HB      LEU  93  -4.635   9.117  11.061
  718    HB3  LEU  93           3HB      LEU  93  -4.734  10.760  10.420
  719    HG   LEU  93           HG       LEU  93  -7.206  10.590  10.303
  720   HD11  LEU  93          1HD1      LEU  93  -8.362   8.698  11.445
  721   HD12  LEU  93          2HD1      LEU  93  -7.528   8.174   9.984
  722   HD13  LEU  93          3HD1      LEU  93  -6.810   7.842  11.576
  723   HD21  LEU  93          3HD2      LEU  93  -7.618  10.648  12.722
  724   HD22  LEU  93          1HD2      LEU  93  -6.055   9.855  13.025
  725   HD23  LEU  93          2HD2      LEU  93  -6.112  11.484  12.319
  726    H    THR  94           H        THR  94  -4.611  11.569   8.134
  727    HA   THR  94           HA       THR  94  -7.085  12.290   6.936
  728    HB   THR  94           HB       THR  94  -4.395  13.496   6.217
  729    HG1  THR  94           1HG      THR  94  -4.443  14.620   8.191
  730   HG21  THR  94          3HG2      THR  94  -5.632  15.621   6.385
  731   HG22  THR  94          1HG2      THR  94  -6.465  14.525   5.276
  732   HG23  THR  94          2HG2      THR  94  -7.089  14.754   6.922
  733    H    SER  95           H        SER  95  -7.769  12.142   4.750
  734    HA   SER  95           HA       SER  95  -6.443  10.277   3.003
  735    HB2  SER  95           2HB      SER  95  -8.721  12.254   2.573
  736    HB3  SER  95           3HB      SER  95  -8.133  11.141   1.331
  737    HG   SER  95           HG       SER  95  -9.344  10.510   3.816
  738    H    ASN  96           H        ASN  96  -5.967  13.704   3.502
  739    HA   ASN  96           HA       ASN  96  -4.879  14.320   0.893
  740    HB2  ASN  96           2HB      ASN  96  -5.681  16.099   2.377
  741    HB3  ASN  96           3HB      ASN  96  -4.483  15.666   3.600
  742   HD21  ASN  96          2HD2      ASN  96  -2.111  15.622   2.674
  743   HD22  ASN  96          1HD2      ASN  96  -1.680  17.029   1.708
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -7.066  -9.864  12.942
    2    H2   MET   1           H2       MET   1  -6.418 -11.358  12.860
    3    H3   MET   1           H3       MET   1  -5.479 -10.039  12.582
    4    HA   MET   1           HA       MET   1  -6.735  -9.498  10.605
    5    HB2  MET   1           2HB      MET   1  -5.667 -12.359  10.646
    6    HB3  MET   1           3HB      MET   1  -6.155 -11.492   9.189
    7    HG2  MET   1           2HG      MET   1  -4.487  -9.720   9.689
    8    HG3  MET   1           3HG      MET   1  -3.904 -10.665  11.060
    9    HE1  MET   1           3HE      MET   1  -3.773 -13.686  10.055
   10    HE2  MET   1           1HE      MET   1  -2.122 -13.703   9.405
   11    HE3  MET   1           2HE      MET   1  -2.469 -12.825  10.910
   12    H    GLY   2           H        GLY   2  -8.714  -9.549   9.606
   13    HA2  GLY   2           2HA      GLY   2 -10.451 -11.855   9.646
   14    HA3  GLY   2           3HA      GLY   2 -10.970 -10.608  10.803
   15    H    HIS   3           H        HIS   3  -9.497 -10.438   7.523
   16    HA   HIS   3           HA       HIS   3 -11.017  -8.168   6.756
   17    HB2  HIS   3           2HB      HIS   3  -9.521 -10.212   5.067
   18    HB3  HIS   3           3HB      HIS   3 -10.184  -8.699   4.451
   19    HD1  HIS   3           1HD      HIS   3  -6.943  -9.903   5.674
   20    HD2  HIS   3           2HD      HIS   3  -9.297  -6.422   6.096
   21    HE1  HIS   3           1HE      HIS   3  -5.382  -8.062   6.437
   22    H    HIS   4           H        HIS   4 -11.911 -11.576   6.639
   23    HA   HIS   4           HA       HIS   4 -14.062 -11.329   4.761
   24    HB2  HIS   4           2HB      HIS   4 -13.747 -13.242   7.112
   25    HB3  HIS   4           3HB      HIS   4 -14.873 -13.423   5.771
   26    HD1  HIS   4           1HD      HIS   4 -13.417 -13.482   3.211
   27    HD2  HIS   4           2HD      HIS   4 -11.558 -14.612   6.820
   28    HE1  HIS   4           1HE      HIS   4 -11.392 -14.880   2.566
   29    H    HIS   5           H        HIS   5 -13.860 -10.806   8.315
   30    HA   HIS   5           HA       HIS   5 -16.694 -10.143   8.608
   31    HB2  HIS   5           2HB      HIS   5 -15.343 -11.050  10.474
   32    HB3  HIS   5           3HB      HIS   5 -14.273  -9.652  10.402
   33    HD1  HIS   5           1HD      HIS   5 -15.480  -7.218  11.116
   34    HD2  HIS   5           2HD      HIS   5 -17.530 -10.814  11.931
   35    HE1  HIS   5           1HE      HIS   5 -17.261  -6.655  12.849
   36    H    HIS   6           H        HIS   6 -13.617  -8.502   8.096
   37    HA   HIS   6           HA       HIS   6 -12.970  -6.508   7.404
   38    HB2  HIS   6           2HB      HIS   6 -14.977  -6.666   5.801
   39    HB3  HIS   6           3HB      HIS   6 -15.796  -5.556   6.902
   40    HD1  HIS   6           1HD      HIS   6 -15.167  -2.984   6.566
   41    HD2  HIS   6           2HD      HIS   6 -12.637  -5.745   4.632
   42    HE1  HIS   6           1HE      HIS   6 -13.521  -1.614   5.190
   43    H    HIS   7           H        HIS   7 -13.265  -4.090   7.958
   44    HA   HIS   7           HA       HIS   7 -13.132  -3.797  10.847
   45    HB2  HIS   7           2HB      HIS   7 -12.978  -1.757   8.590
   46    HB3  HIS   7           3HB      HIS   7 -12.449  -1.519  10.258
   47    HD1  HIS   7           1HD      HIS   7 -10.781  -1.997   7.149
   48    HD2  HIS   7           2HD      HIS   7 -10.640  -3.926  10.906
   49    HE1  HIS   7           1HE      HIS   7  -8.590  -3.267   7.228
   50    H    HIS   8           H        HIS   8 -14.127  -1.550  11.556
   51    HA   HIS   8           HA       HIS   8 -16.901  -1.854  11.913
   52    HB2  HIS   8           2HB      HIS   8 -15.406  -0.507  13.360
   53    HB3  HIS   8           3HB      HIS   8 -15.223   0.682  12.070
   54    HD1  HIS   8           1HD      HIS   8 -18.004  -0.682  14.422
   55    HD2  HIS   8           2HD      HIS   8 -17.056   2.570  11.916
   56    HE1  HIS   8           1HE      HIS   8 -19.820   1.060  14.793
   57    H    LEU   9           H        LEU   9 -15.138  -0.171   9.356
   58    HA   LEU   9           HA       LEU   9 -17.457   1.036   8.065
   59    HB2  LEU   9           2HB      LEU   9 -14.759   0.187   6.908
   60    HB3  LEU   9           3HB      LEU   9 -15.982   1.139   6.074
   61    HG   LEU   9           HG       LEU   9 -14.435   2.028   8.540
   62   HD11  LEU   9          1HD1      LEU   9 -13.070   1.920   6.489
   63   HD12  LEU   9          2HD1      LEU   9 -14.261   2.918   5.627
   64   HD13  LEU   9          3HD1      LEU   9 -13.339   3.596   6.989
   65   HD21  LEU   9          3HD2      LEU   9 -16.479   3.534   6.843
   66   HD22  LEU   9          1HD2      LEU   9 -16.647   3.080   8.556
   67   HD23  LEU   9          2HD2      LEU   9 -15.433   4.268   8.081
   68    H    ASP  10           H        ASP  10 -18.991  -0.054   6.885
   69    HA   ASP  10           HA       ASP  10 -19.183  -2.836   7.057
   70    HB2  ASP  10           2HB      ASP  10 -21.095  -1.326   6.776
   71    HB3  ASP  10           3HB      ASP  10 -20.575  -0.943   5.131
   72    H    SER  11           H        SER  11 -17.702  -0.904   4.542
   73    HA   SER  11           HA       SER  11 -16.480  -3.248   3.303
   74    HB2  SER  11           2HB      SER  11 -18.005  -1.155   1.670
   75    HB3  SER  11           3HB      SER  11 -17.012  -2.464   1.014
   76    HG   SER  11           HG       SER  11 -19.254  -2.946   0.989
   77    H    TYR  12           H        TYR  12 -14.722  -2.331   1.725
   78    HA   TYR  12           HA       TYR  12 -13.229  -0.202   2.972
   79    HB2  TYR  12           2HB      TYR  12 -11.733  -0.425   1.084
   80    HB3  TYR  12           3HB      TYR  12 -12.144  -2.013   1.696
   81    HD1  TYR  12           1HD      TYR  12 -12.563   0.396  -1.091
   82    HD2  TYR  12           2HD      TYR  12 -13.433  -3.600   0.299
   83    HE1  TYR  12           1HE      TYR  12 -13.254  -0.243  -3.376
   84    HE2  TYR  12           2HE      TYR  12 -14.161  -4.237  -1.972
   85    HH   TYR  12           HH       TYR  12 -14.456  -3.541  -4.179
   86    H    ALA  13           H        ALA  13 -12.715   1.877   1.881
   87    HA   ALA  13           HA       ALA  13 -14.404   2.826  -0.259
   88    HB1  ALA  13           3HB      ALA  13 -15.893   3.310   1.656
   89    HB2  ALA  13           1HB      ALA  13 -14.562   4.134   2.503
   90    HB3  ALA  13           2HB      ALA  13 -15.219   4.813   0.996
   91    HA   PRO  14           HA       PRO  14 -10.315   4.332  -0.985
   92    HB2  PRO  14           2HB      PRO  14 -11.675   6.703  -2.287
   93    HB3  PRO  14           3HB      PRO  14 -10.285   5.738  -2.883
   94    HG2  PRO  14           2HG      PRO  14 -12.772   5.248  -3.826
   95    HG3  PRO  14           3HG      PRO  14 -11.698   3.880  -3.388
   96    HD2  PRO  14           2HD      PRO  14 -13.994   5.047  -1.812
   97    HD3  PRO  14           3HD      PRO  14 -13.506   3.340  -2.047
   98    H    ARG  15           H        ARG  15 -12.460   6.434   0.818
   99    HA   ARG  15           HA       ARG  15 -10.569   8.488   1.531
  100    HB2  ARG  15           2HB      ARG  15 -12.937   7.355   3.087
  101    HB3  ARG  15           3HB      ARG  15 -12.083   8.839   3.479
  102    HG2  ARG  15           2HG      ARG  15 -13.737   8.327   0.971
  103    HG3  ARG  15           3HG      ARG  15 -14.200   9.309   2.351
  104    HD2  ARG  15           2HD      ARG  15 -11.907   9.898   0.428
  105    HD3  ARG  15           3HD      ARG  15 -13.472  10.691   0.433
  106    HE   ARG  15           HE       ARG  15 -11.224  11.139   2.247
  107   HH11  ARG  15          1HH1      ARG  15 -14.700  11.693   1.768
  108   HH12  ARG  15          2HH1      ARG  15 -14.784  13.015   2.871
  109   HH21  ARG  15          1HH2      ARG  15 -11.338  12.894   3.722
  110   HH22  ARG  15          2HH2      ARG  15 -12.828  13.711   4.000
  111    H    ALA  16           H        ALA  16 -10.838   5.119   2.482
  112    HA   ALA  16           HA       ALA  16  -8.655   5.525   4.454
  113    HB1  ALA  16           3HB      ALA  16  -9.827   4.011   6.019
  114    HB2  ALA  16           1HB      ALA  16 -10.779   5.474   5.705
  115    HB3  ALA  16           2HB      ALA  16 -11.217   3.938   4.918
  116    H    GLU  17           H        GLU  17 -10.384   3.252   2.283
  117    HA   GLU  17           HA       GLU  17  -8.042   1.435   2.310
  118    HB2  GLU  17           2HB      GLU  17 -10.884   0.700   3.111
  119    HB3  GLU  17           3HB      GLU  17  -9.696  -0.486   2.570
  120    HG2  GLU  17           2HG      GLU  17  -8.189   0.181   4.440
  121    HG3  GLU  17           3HG      GLU  17  -9.457   1.259   5.041
  122    H    ALA  18           H        ALA  18  -8.113  -0.152   0.560
  123    HA   ALA  18           HA       ALA  18 -10.296  -0.050  -1.363
  124    HB1  ALA  18           3HB      ALA  18  -7.456   0.579  -2.285
  125    HB2  ALA  18           1HB      ALA  18  -8.888   0.356  -3.311
  126    HB3  ALA  18           2HB      ALA  18  -8.798   1.747  -2.220
  127    H    GLU  19           H        GLU  19  -9.933  -1.874  -3.035
  128    HA   GLU  19           HA       GLU  19  -8.202  -4.069  -2.101
  129    HB2  GLU  19           2HB      GLU  19 -10.250  -4.087  -0.678
  130    HB3  GLU  19           3HB      GLU  19 -11.252  -4.161  -2.131
  131    HG2  GLU  19           2HG      GLU  19 -10.291  -6.354  -2.709
  132    HG3  GLU  19           3HG      GLU  19  -9.229  -6.275  -1.302
  133    H    LYS  20           H        LYS  20  -7.593  -5.301  -3.875
  134    HA   LYS  20           HA       LYS  20  -9.125  -5.292  -6.390
  135    HB2  LYS  20           2HB      LYS  20  -6.311  -4.127  -6.095
  136    HB3  LYS  20           3HB      LYS  20  -6.996  -4.596  -7.642
  137    HG2  LYS  20           2HG      LYS  20  -8.082  -2.385  -5.864
  138    HG3  LYS  20           3HG      LYS  20  -7.059  -2.180  -7.279
  139    HD2  LYS  20           2HD      LYS  20  -8.781  -3.168  -8.738
  140    HD3  LYS  20           3HD      LYS  20  -9.852  -3.401  -7.340
  141    HE2  LYS  20           2HE      LYS  20  -9.837  -0.960  -6.911
  142    HE3  LYS  20           3HE      LYS  20  -8.778  -0.716  -8.307
  143    HZ1  LYS  20           3HZ      LYS  20 -11.533  -1.808  -8.427
  144    HZ2  LYS  20           1HZ      LYS  20 -11.091  -0.305  -8.867
  145    HZ3  LYS  20           2HZ      LYS  20 -10.557  -1.585  -9.719
  146    H    THR  21           H        THR  21  -7.864  -6.707  -8.034
  147    HA   THR  21           HA       THR  21  -5.961  -8.575  -6.831
  148    HB   THR  21           HB       THR  21  -8.510  -9.429  -8.271
  149    HG1  THR  21           1HG      THR  21  -8.864  -9.065  -6.114
  150   HG21  THR  21          3HG2      THR  21  -6.225 -11.182  -7.262
  151   HG22  THR  21          1HG2      THR  21  -7.784 -11.752  -7.886
  152   HG23  THR  21          2HG2      THR  21  -6.663 -10.915  -8.965
  153    H    PHE  22           H        PHE  22  -4.451  -9.308  -8.314
  154    HA   PHE  22           HA       PHE  22  -4.489  -8.158 -11.051
  155    HB2  PHE  22           2HB      PHE  22  -2.208  -7.810  -9.069
  156    HB3  PHE  22           3HB      PHE  22  -2.296  -7.158 -10.689
  157    HD1  PHE  22           1HD      PHE  22  -4.220  -5.409 -11.178
  158    HD2  PHE  22           2HD      PHE  22  -2.789  -6.471  -7.257
  159    HE1  PHE  22           1HE      PHE  22  -5.001  -3.222 -10.299
  160    HE2  PHE  22           2HE      PHE  22  -3.572  -4.294  -6.377
  161    HZ   PHE  22           HZ       PHE  22  -4.657  -2.648  -7.901
  162    H    SER  23           H        SER  23  -2.327  -8.771 -12.085
  163    HA   SER  23           HA       SER  23  -0.902 -11.096 -11.245
  164    HB2  SER  23           2HB      SER  23  -2.574 -11.166 -13.799
  165    HB3  SER  23           3HB      SER  23  -1.279 -12.317 -13.413
  166    HG   SER  23           HG       SER  23  -3.180 -11.916 -11.437
  167    H    TYR  24           H        TYR  24   0.869 -11.397 -13.220
  168    HA   TYR  24           HA       TYR  24   1.683  -8.638 -13.958
  169    HB2  TYR  24           2HB      TYR  24   3.323 -10.744 -12.505
  170    HB3  TYR  24           3HB      TYR  24   3.957  -9.227 -13.100
  171    HD1  TYR  24           2HD      TYR  24   2.660  -7.032 -12.268
  172    HD2  TYR  24           1HD      TYR  24   2.649 -10.843 -10.239
  173    HE1  TYR  24           2HE      TYR  24   2.048  -5.900 -10.157
  174    HE2  TYR  24           1HE      TYR  24   2.055  -9.714  -8.118
  175    HH   TYR  24           HH       TYR  24   1.572  -6.160  -7.890
  176    HA   PRO  25           HA       PRO  25   4.015  -7.989 -14.886
  177    HB2  PRO  25           2HB      PRO  25   4.576  -6.934 -17.327
  178    HB3  PRO  25           3HB      PRO  25   5.579  -8.207 -16.560
  179    HG2  PRO  25           2HG      PRO  25   3.393  -8.570 -18.634
  180    HG3  PRO  25           3HG      PRO  25   5.057  -9.241 -18.648
  181    HD2  PRO  25           2HD      PRO  25   2.922 -10.688 -17.756
  182    HD3  PRO  25           3HD      PRO  25   4.527 -10.830 -16.982
  183    H    LEU  26           H        LEU  26   3.276  -5.760 -15.046
  184    HA   LEU  26           HA       LEU  26   0.731  -5.152 -16.324
  185    HB2  LEU  26           2HB      LEU  26   0.064  -6.442 -14.300
  186    HB3  LEU  26           3HB      LEU  26   1.035  -5.374 -13.288
  187    HG   LEU  26           HG       LEU  26  -0.480  -3.484 -13.818
  188   HD11  LEU  26          1HD1      LEU  26  -1.289  -4.146 -16.073
  189   HD12  LEU  26          2HD1      LEU  26  -2.096  -5.562 -15.371
  190   HD13  LEU  26          3HD1      LEU  26  -2.642  -3.921 -14.965
  191   HD21  LEU  26          3HD2      LEU  26  -1.960  -5.964 -12.868
  192   HD22  LEU  26          1HD2      LEU  26  -0.903  -4.951 -11.867
  193   HD23  LEU  26          2HD2      LEU  26  -2.393  -4.270 -12.534
  194    H    ASP  27           H        ASP  27   0.307  -2.854 -16.139
  195    HA   ASP  27           HA       ASP  27   2.643  -1.165 -15.741
  196    HB2  ASP  27           2HB      ASP  27   1.092  -0.843 -17.628
  197    HB3  ASP  27           3HB      ASP  27  -0.227  -0.505 -16.505
  198    H    LEU  28           H        LEU  28   2.511  -2.179 -13.411
  199    HA   LEU  28           HA       LEU  28   1.364  -0.201 -11.530
  200    HB2  LEU  28           2HB      LEU  28  -0.308  -2.021 -11.657
  201    HB3  LEU  28           3HB      LEU  28   0.966  -3.228 -11.475
  202    HG   LEU  28           HG       LEU  28   1.417  -2.389  -9.159
  203   HD11  LEU  28          1HD1      LEU  28   0.577  -0.084  -9.319
  204   HD12  LEU  28          2HD1      LEU  28  -1.066  -0.675  -9.636
  205   HD13  LEU  28          3HD1      LEU  28  -0.292  -0.954  -8.060
  206   HD21  LEU  28          3HD2      LEU  28  -0.603  -3.373  -8.157
  207   HD22  LEU  28          1HD2      LEU  28  -1.458  -3.233  -9.707
  208   HD23  LEU  28          2HD2      LEU  28  -0.060  -4.316  -9.550
  209    H    LEU  29           H        LEU  29   2.881   0.184  -9.895
  210    HA   LEU  29           HA       LEU  29   5.105  -1.714  -9.469
  211    HB2  LEU  29           2HB      LEU  29   5.823  -0.127 -11.285
  212    HB3  LEU  29           3HB      LEU  29   5.439   1.227 -10.223
  213    HG   LEU  29           HG       LEU  29   7.212   0.456  -8.625
  214   HD11  LEU  29          1HD1      LEU  29   7.853  -1.584 -10.804
  215   HD12  LEU  29          2HD1      LEU  29   8.885  -1.204  -9.408
  216   HD13  LEU  29          3HD1      LEU  29   7.311  -1.952  -9.153
  217   HD21  LEU  29          3HD2      LEU  29   8.154   0.895 -11.486
  218   HD22  LEU  29          1HD2      LEU  29   7.684   2.163 -10.332
  219   HD23  LEU  29          2HD2      LEU  29   9.109   1.165 -10.009
  220    H    LEU  30           H        LEU  30   5.959  -1.490  -7.367
  221    HA   LEU  30           HA       LEU  30   4.670   0.425  -5.488
  222    HB2  LEU  30           2HB      LEU  30   4.822  -2.603  -5.426
  223    HB3  LEU  30           3HB      LEU  30   5.042  -1.726  -3.939
  224    HG   LEU  30           HG       LEU  30   2.822  -0.705  -4.103
  225   HD11  LEU  30          1HD1      LEU  30   2.532  -2.367  -6.646
  226   HD12  LEU  30          2HD1      LEU  30   1.160  -1.691  -5.744
  227   HD13  LEU  30          3HD1      LEU  30   2.332  -0.610  -6.471
  228   HD21  LEU  30          3HD2      LEU  30   3.148  -2.894  -2.944
  229   HD22  LEU  30          1HD2      LEU  30   1.532  -2.736  -3.636
  230   HD23  LEU  30          2HD2      LEU  30   2.753  -3.730  -4.455
  231    H    LYS  31           H        LYS  31   6.125   0.896  -3.622
  232    HA   LYS  31           HA       LYS  31   8.854  -0.195  -3.816
  233    HB2  LYS  31           2HB      LYS  31  10.026   1.720  -4.130
  234    HB3  LYS  31           3HB      LYS  31   8.685   1.990  -5.215
  235    HG2  LYS  31           2HG      LYS  31   9.080   3.236  -2.451
  236    HG3  LYS  31           3HG      LYS  31   9.388   3.998  -3.999
  237    HD2  LYS  31           2HD      LYS  31   6.985   3.964  -4.544
  238    HD3  LYS  31           3HD      LYS  31   6.637   3.112  -3.040
  239    HE2  LYS  31           2HE      LYS  31   6.105   5.444  -2.751
  240    HE3  LYS  31           3HE      LYS  31   7.497   5.043  -1.741
  241    HZ1  LYS  31           3HZ      LYS  31   7.628   6.439  -4.364
  242    HZ2  LYS  31           1HZ      LYS  31   7.789   7.148  -2.910
  243    HZ3  LYS  31           2HZ      LYS  31   8.921   6.097  -3.420
  244    H    LEU  32           H        LEU  32  10.136   0.112  -1.921
  245    HA   LEU  32           HA       LEU  32   8.673   0.106   0.599
  246    HB2  LEU  32           2HB      LEU  32  10.531  -1.399   0.338
  247    HB3  LEU  32           3HB      LEU  32  11.590  -0.109  -0.228
  248    HG   LEU  32           HG       LEU  32  11.678   0.878   2.017
  249   HD11  LEU  32          1HD1      LEU  32   9.625   0.400   3.099
  250   HD12  LEU  32          2HD1      LEU  32   9.725  -1.333   2.738
  251   HD13  LEU  32          3HD1      LEU  32  10.797  -0.599   3.951
  252   HD21  LEU  32          3HD2      LEU  32  12.235  -2.120   2.006
  253   HD22  LEU  32          1HD2      LEU  32  13.298  -0.861   1.344
  254   HD23  LEU  32          2HD2      LEU  32  12.976  -0.911   3.081
  255    H    HIS  33           H        HIS  33   8.315   1.877   1.840
  256    HA   HIS  33           HA       HIS  33  10.208   4.091   1.945
  257    HB2  HIS  33           2HB      HIS  33   8.758   4.803   0.074
  258    HB3  HIS  33           3HB      HIS  33   7.317   4.508   1.048
  259    HD1  HIS  33           1HD      HIS  33   6.767   6.374   2.954
  260    HD2  HIS  33           2HD      HIS  33  10.197   7.032   0.599
  261    HE1  HIS  33           1HE      HIS  33   7.490   8.773   3.397
  262    H    ASP  34           H        ASP  34  10.241   4.805   4.043
  263    HA   ASP  34           HA       ASP  34   9.910   4.785   6.272
  264    HB2  ASP  34           2HB      ASP  34   8.439   6.576   5.486
  265    HB3  ASP  34           3HB      ASP  34   7.083   5.449   5.404
  266    H    GLU  35           H        GLU  35  10.116   2.266   5.519
  267    HA   GLU  35           HA       GLU  35   9.742   0.108   5.953
  268    HB2  GLU  35           2HB      GLU  35   8.813   1.319   8.573
  269    HB3  GLU  35           3HB      GLU  35   8.961  -0.415   8.348
  270    HG2  GLU  35           2HG      GLU  35  11.225   1.591   8.019
  271    HG3  GLU  35           3HG      GLU  35  10.955   0.548   9.412
  272    H    ARG  36           H        ARG  36   7.396   1.672   4.727
  273    HA   ARG  36           HA       ARG  36   5.515  -0.635   4.835
  274    HB2  ARG  36           2HB      ARG  36   4.964   2.350   4.674
  275    HB3  ARG  36           3HB      ARG  36   3.926   1.239   3.804
  276    HG2  ARG  36           2HG      ARG  36   2.816   1.540   5.804
  277    HG3  ARG  36           3HG      ARG  36   3.535  -0.049   5.921
  278    HD2  ARG  36           2HD      ARG  36   3.785   1.053   8.060
  279    HD3  ARG  36           3HD      ARG  36   5.379   0.909   7.338
  280    HE   ARG  36           HE       ARG  36   5.582   3.171   7.291
  281   HH11  ARG  36          1HH1      ARG  36   2.122   2.421   7.681
  282   HH12  ARG  36          2HH1      ARG  36   1.610   4.069   7.762
  283   HH21  ARG  36          1HH2      ARG  36   4.937   5.368   7.653
  284   HH22  ARG  36          2HH2      ARG  36   3.257   5.767   7.825
  285    H    VAL  37           H        VAL  37   4.311  -0.647   2.582
  286    HA   VAL  37           HA       VAL  37   6.235   0.107   0.443
  287    HB   VAL  37           HB       VAL  37   4.510  -2.387   0.621
  288   HG11  VAL  37          1HG1      VAL  37   6.173  -1.371  -1.725
  289   HG12  VAL  37          2HG1      VAL  37   5.334  -2.935  -1.634
  290   HG13  VAL  37          3HG1      VAL  37   4.401  -1.433  -1.662
  291   HG21  VAL  37          3HG2      VAL  37   6.648  -2.604   1.771
  292   HG22  VAL  37          1HG2      VAL  37   6.684  -3.553   0.284
  293   HG23  VAL  37          2HG2      VAL  37   7.525  -1.992   0.354
  294    H    LEU  38           H        LEU  38   5.353   1.383  -1.091
  295    HA   LEU  38           HA       LEU  38   2.463   2.077  -0.824
  296    HB2  LEU  38           2HB      LEU  38   4.693   3.966  -1.639
  297    HB3  LEU  38           3HB      LEU  38   3.000   4.364  -1.398
  298    HG   LEU  38           HG       LEU  38   5.021   3.635   0.751
  299   HD11  LEU  38          1HD1      LEU  38   3.579   6.249   0.134
  300   HD12  LEU  38          2HD1      LEU  38   4.726   5.974   1.460
  301   HD13  LEU  38          3HD1      LEU  38   5.286   5.895  -0.215
  302   HD21  LEU  38          3HD2      LEU  38   3.244   4.308   2.381
  303   HD22  LEU  38          1HD2      LEU  38   2.069   4.311   1.045
  304   HD23  LEU  38          2HD2      LEU  38   2.902   2.809   1.529
  305    H    VAL  39           H        VAL  39   1.427   2.635  -2.819
  306    HA   VAL  39           HA       VAL  39   2.392   1.382  -5.222
  307    HB   VAL  39           HB       VAL  39   0.252   3.514  -4.829
  308   HG11  VAL  39          1HG1      VAL  39   0.982   3.391  -7.198
  309   HG12  VAL  39          2HG1      VAL  39   0.778   1.628  -7.183
  310   HG13  VAL  39          3HG1      VAL  39  -0.626   2.699  -7.008
  311   HG21  VAL  39          3HG2      VAL  39  -0.277   1.457  -3.566
  312   HG22  VAL  39          1HG2      VAL  39  -1.346   1.641  -4.955
  313   HG23  VAL  39          2HG2      VAL  39   0.000   0.484  -5.027
  314    H    ALA  40           H        ALA  40   3.906   2.091  -6.587
  315    HA   ALA  40           HA       ALA  40   5.114   4.765  -6.226
  316    HB1  ALA  40           3HB      ALA  40   6.083   2.407  -7.907
  317    HB2  ALA  40           1HB      ALA  40   7.022   3.807  -7.368
  318    HB3  ALA  40           2HB      ALA  40   6.485   2.582  -6.195
  319    H    PHE  41           H        PHE  41   3.544   2.678  -8.655
  320    HA   PHE  41           HA       PHE  41   2.704   5.010 -10.161
  321    HB2  PHE  41           2HB      PHE  41   5.001   4.367 -11.131
  322    HB3  PHE  41           3HB      PHE  41   4.257   2.860 -11.657
  323    HD1  PHE  41           1HD      PHE  41   4.096   6.587 -11.928
  324    HD2  PHE  41           2HD      PHE  41   2.853   2.829 -13.654
  325    HE1  PHE  41           1HE      PHE  41   3.196   7.789 -13.905
  326    HE2  PHE  41           2HE      PHE  41   1.953   4.039 -15.621
  327    HZ   PHE  41           HZ       PHE  41   2.120   6.516 -15.755
  328    H    GLY  42           H        GLY  42   0.911   4.395 -11.597
  329    HA2  GLY  42           2HA      GLY  42  -0.261   2.189 -12.331
  330    HA3  GLY  42           3HA      GLY  42  -0.480   1.967 -10.589
  331    H    GLN  43           H        GLN  43  -0.675   5.257 -10.879
  332    HA   GLN  43           HA       GLN  43  -3.478   5.307 -10.504
  333    HB2  GLN  43           2HB      GLN  43  -3.316   7.694 -10.514
  334    HB3  GLN  43           3HB      GLN  43  -1.942   7.014  -9.639
  335    HG2  GLN  43           2HG      GLN  43  -0.495   7.426 -11.630
  336    HG3  GLN  43           3HG      GLN  43  -1.860   8.192 -12.446
  337   HE21  GLN  43          2HE2      GLN  43   0.672   9.493 -11.829
  338   HE22  GLN  43          1HE2      GLN  43   0.323  10.791 -10.717
  339    H    ARG  44           H        ARG  44  -5.116   6.374 -11.796
  340    HA   ARG  44           HA       ARG  44  -6.466   6.378 -13.579
  341    HB2  ARG  44           2HB      ARG  44  -4.015   7.107 -15.221
  342    HB3  ARG  44           3HB      ARG  44  -5.700   7.348 -15.672
  343    HG2  ARG  44           2HG      ARG  44  -6.012   8.886 -13.743
  344    HG3  ARG  44           3HG      ARG  44  -4.298   8.726 -13.336
  345    HD2  ARG  44           2HD      ARG  44  -5.397   9.795 -15.967
  346    HD3  ARG  44           3HD      ARG  44  -4.798  10.782 -14.624
  347    HE   ARG  44           HE       ARG  44  -2.752   8.969 -15.299
  348   HH11  ARG  44          1HH1      ARG  44  -4.412  11.728 -16.790
  349   HH12  ARG  44          2HH1      ARG  44  -3.073  12.189 -17.773
  350   HH21  ARG  44          1HH2      ARG  44  -0.961   9.578 -16.615
  351   HH22  ARG  44          2HH2      ARG  44  -1.068  10.937 -17.664
  352    H    ASP  45           H        ASP  45  -5.130   3.847 -12.833
  353    HA   ASP  45           HA       ASP  45  -6.269   2.281 -15.004
  354    HB2  ASP  45           2HB      ASP  45  -3.951   2.423 -15.816
  355    HB3  ASP  45           3HB      ASP  45  -3.341   1.908 -14.242
  356    H    GLY  46           H        GLY  46  -4.453   2.371 -11.925
  357    HA2  GLY  46           2HA      GLY  46  -6.450   0.592 -10.640
  358    HA3  GLY  46           3HA      GLY  46  -4.711   0.272 -10.490
  359    H    ILE  47           H        ILE  47  -4.973   0.639  -8.189
  360    HA   ILE  47           HA       ILE  47  -6.052   2.935  -6.977
  361    HB   ILE  47           HB       ILE  47  -3.816   1.107  -5.994
  362   HG12  ILE  47          2HG1      ILE  47  -5.667  -0.312  -6.506
  363   HG13  ILE  47          3HG1      ILE  47  -5.639  -0.096  -4.771
  364   HG21  ILE  47          1HG2      ILE  47  -4.596   1.708  -3.710
  365   HG22  ILE  47          2HG2      ILE  47  -3.904   3.067  -4.587
  366   HG23  ILE  47          3HG2      ILE  47  -5.667   2.942  -4.411
  367   HD11  ILE  47          3HD1      ILE  47  -7.572   1.223  -6.723
  368   HD12  ILE  47          1HD1      ILE  47  -7.927  -0.015  -5.513
  369   HD13  ILE  47          2HD1      ILE  47  -7.487   1.617  -4.990
  370    H    ARG  48           H        ARG  48  -5.214   4.912  -6.319
  371    HA   ARG  48           HA       ARG  48  -3.225   5.967  -8.062
  372    HB2  ARG  48           2HB      ARG  48  -5.213   7.215  -7.102
  373    HB3  ARG  48           3HB      ARG  48  -4.346   7.324  -5.559
  374    HG2  ARG  48           2HG      ARG  48  -2.574   8.647  -6.593
  375    HG3  ARG  48           3HG      ARG  48  -3.215   8.299  -8.205
  376    HD2  ARG  48           2HD      ARG  48  -5.304   9.576  -7.543
  377    HD3  ARG  48           3HD      ARG  48  -4.407  10.106  -6.100
  378    HE   ARG  48           HE       ARG  48  -2.968  10.458  -8.625
  379   HH11  ARG  48          1HH1      ARG  48  -5.335  12.029  -6.485
  380   HH12  ARG  48          2HH1      ARG  48  -5.017  13.617  -7.076
  381   HH21  ARG  48          1HH2      ARG  48  -2.543  12.532  -9.396
  382   HH22  ARG  48          2HH2      ARG  48  -3.380  13.912  -8.785
  383    H    VAL  49           H        VAL  49  -1.174   6.919  -7.535
  384    HA   VAL  49           HA       VAL  49   0.579   5.395  -5.988
  385    HB   VAL  49           HB       VAL  49   2.143   7.299  -6.284
  386   HG11  VAL  49          1HG1      VAL  49   0.596   6.570  -8.817
  387   HG12  VAL  49          2HG1      VAL  49   2.282   7.113  -8.702
  388   HG13  VAL  49          3HG1      VAL  49   1.810   5.555  -8.006
  389   HG21  VAL  49          3HG2      VAL  49   1.526   9.247  -7.622
  390   HG22  VAL  49          1HG2      VAL  49  -0.161   8.723  -7.714
  391   HG23  VAL  49          2HG2      VAL  49   0.541   9.210  -6.156
  392    H    GLY  50           H        GLY  50   1.684   5.775  -4.036
  393    HA2  GLY  50           2HA      GLY  50   2.106   6.742  -1.987
  394    HA3  GLY  50           3HA      GLY  50   0.825   7.926  -2.257
  395    H    HIS  51           H        HIS  51  -0.850   5.167  -2.844
  396    HA   HIS  51           HA       HIS  51  -1.926   4.918  -0.128
  397    HB2  HIS  51           2HB      HIS  51  -2.355   3.345  -2.704
  398    HB3  HIS  51           3HB      HIS  51  -3.065   2.883  -1.159
  399    HD1  HIS  51           1HD      HIS  51  -3.423   5.581  -3.832
  400    HD2  HIS  51           2HD      HIS  51  -5.090   4.321  -0.183
  401    HE1  HIS  51           1HE      HIS  51  -5.597   6.914  -3.524
  402    H    ALA  52           H        ALA  52  -1.458   3.249   1.302
  403    HA   ALA  52           HA       ALA  52   1.084   1.798   0.842
  404    HB1  ALA  52           3HB      ALA  52  -0.692   2.086   3.313
  405    HB2  ALA  52           1HB      ALA  52   0.880   1.261   3.251
  406    HB3  ALA  52           2HB      ALA  52   0.790   3.016   3.002
  407    H    VAL  53           H        VAL  53   1.126  -0.487   0.822
  408    HA   VAL  53           HA       VAL  53  -1.478  -1.825   0.372
  409    HB   VAL  53           HB       VAL  53   0.127  -2.667  -1.064
  410   HG11  VAL  53          1HG1      VAL  53   2.309  -3.648  -0.391
  411   HG12  VAL  53          2HG1      VAL  53   2.218  -1.904  -0.208
  412   HG13  VAL  53          3HG1      VAL  53   2.094  -2.949   1.232
  413   HG21  VAL  53          3HG2      VAL  53   0.122  -4.689   1.211
  414   HG22  VAL  53          1HG2      VAL  53  -1.242  -4.394   0.112
  415   HG23  VAL  53          2HG2      VAL  53   0.291  -4.998  -0.528
  416    H    LEU  54           H        LEU  54  -2.492  -2.978   1.924
  417    HA   LEU  54           HA       LEU  54  -1.464  -2.799   4.725
  418    HB2  LEU  54           2HB      LEU  54  -4.094  -2.109   3.465
  419    HB3  LEU  54           3HB      LEU  54  -4.179  -3.033   4.954
  420    HG   LEU  54           HG       LEU  54  -2.884  -1.371   6.175
  421   HD11  LEU  54          1HD1      LEU  54  -2.842   0.220   3.578
  422   HD12  LEU  54          2HD1      LEU  54  -2.429   0.878   5.172
  423   HD13  LEU  54          3HD1      LEU  54  -1.442  -0.400   4.468
  424   HD21  LEU  54          3HD2      LEU  54  -4.597   0.428   6.145
  425   HD22  LEU  54          1HD2      LEU  54  -5.236  -0.215   4.613
  426   HD23  LEU  54          2HD2      LEU  54  -5.325  -1.183   6.096
  427    H    ALA  55           H        ALA  55  -2.976  -4.896   2.215
  428    HA   ALA  55           HA       ALA  55  -1.989  -7.143   3.791
  429    HB1  ALA  55           3HB      ALA  55  -4.305  -6.877   4.684
  430    HB2  ALA  55           1HB      ALA  55  -4.941  -7.051   3.038
  431    HB3  ALA  55           2HB      ALA  55  -4.103  -8.401   3.803
  432    H    ILE  56           H        ILE  56  -1.973  -9.141   2.549
  433    HA   ILE  56           HA       ILE  56  -2.449  -8.914  -0.367
  434    HB   ILE  56           HB       ILE  56   0.157  -9.847   0.924
  435   HG12  ILE  56          2HG1      ILE  56  -0.380  -7.559  -1.026
  436   HG13  ILE  56          3HG1      ILE  56  -0.037  -7.379   0.692
  437   HG21  ILE  56          1HG2      ILE  56   0.861 -10.327  -1.453
  438   HG22  ILE  56          2HG2      ILE  56  -0.434 -11.365  -0.888
  439   HG23  ILE  56          3HG2      ILE  56  -0.812 -10.017  -1.968
  440   HD11  ILE  56          3HD1      ILE  56   2.183  -8.491   0.336
  441   HD12  ILE  56          1HD1      ILE  56   1.897  -8.373  -1.414
  442   HD13  ILE  56          2HD1      ILE  56   1.963  -6.903  -0.432
  443    H    ASN  57           H        ASN  57  -3.332 -10.751  -1.120
  444    HA   ASN  57           HA       ASN  57  -4.665 -12.566  -1.003
  445    HB2  ASN  57           2HB      ASN  57  -2.022 -13.716  -0.047
  446    HB3  ASN  57           3HB      ASN  57  -3.393 -14.702  -0.553
  447   HD21  ASN  57          2HD2      ASN  57  -0.656 -14.463  -1.865
  448   HD22  ASN  57          1HD2      ASN  57  -1.059 -14.037  -3.505
  449    H    GLY  58           H        GLY  58  -5.056 -10.887   1.177
  450    HA2  GLY  58           2HA      GLY  58  -6.680 -10.986   2.837
  451    HA3  GLY  58           3HA      GLY  58  -6.447 -12.730   2.989
  452    H    MET  59           H        MET  59  -3.334 -11.893   3.163
  453    HA   MET  59           HA       MET  59  -3.355 -11.887   6.110
  454    HB2  MET  59           2HB      MET  59  -1.110 -12.201   4.063
  455    HB3  MET  59           3HB      MET  59  -0.917 -12.297   5.811
  456    HG2  MET  59           2HG      MET  59  -2.629 -14.158   4.121
  457    HG3  MET  59           3HG      MET  59  -1.020 -14.514   4.742
  458    HE1  MET  59           3HE      MET  59  -3.323 -16.936   6.785
  459    HE2  MET  59           1HE      MET  59  -3.547 -16.418   5.100
  460    HE3  MET  59           2HE      MET  59  -1.918 -16.802   5.706
  461    H    ASP  60           H        ASP  60  -3.132 -10.030   7.191
  462    HA   ASP  60           HA       ASP  60  -2.592  -7.426   6.188
  463    HB2  ASP  60           2HB      ASP  60  -3.627  -7.775   8.342
  464    HB3  ASP  60           3HB      ASP  60  -2.255  -8.724   8.911
  465    H    VAL  61           H        VAL  61  -0.657  -6.320   5.812
  466    HA   VAL  61           HA       VAL  61   1.815  -7.957   6.001
  467    HB   VAL  61           HB       VAL  61   2.884  -6.350   4.558
  468   HG11  VAL  61          1HG1      VAL  61   1.726  -6.956   2.484
  469   HG12  VAL  61          2HG1      VAL  61   1.768  -8.328   3.599
  470   HG13  VAL  61          3HG1      VAL  61   0.270  -7.406   3.392
  471   HG21  VAL  61          3HG2      VAL  61   0.206  -4.971   4.200
  472   HG22  VAL  61          1HG2      VAL  61   1.621  -4.276   5.015
  473   HG23  VAL  61          2HG2      VAL  61   1.694  -4.654   3.297
  474    H    ASN  62           H        ASN  62   3.333  -7.566   7.379
  475    HA   ASN  62           HA       ASN  62   3.109  -5.554   9.511
  476    HB2  ASN  62           2HB      ASN  62   3.870  -7.810  10.115
  477    HB3  ASN  62           3HB      ASN  62   5.127  -7.747   8.875
  478   HD21  ASN  62          2HD2      ASN  62   6.805  -8.076  10.472
  479   HD22  ASN  62          1HD2      ASN  62   7.273  -6.797  11.562
  480    H    GLY  63           H        GLY  63   3.100  -3.839   7.876
  481    HA2  GLY  63           2HA      GLY  63   4.103  -1.977   7.025
  482    HA3  GLY  63           3HA      GLY  63   5.651  -2.560   7.645
  483    H    ARG  64           H        ARG  64   6.766  -4.222   6.374
  484    HA   ARG  64           HA       ARG  64   6.153  -4.217   3.465
  485    HB2  ARG  64           2HB      ARG  64   8.537  -3.911   2.941
  486    HB3  ARG  64           3HB      ARG  64   7.828  -2.512   3.732
  487    HG2  ARG  64           2HG      ARG  64   9.227  -2.567   5.450
  488    HG3  ARG  64           3HG      ARG  64   9.071  -4.300   5.705
  489    HD2  ARG  64           2HD      ARG  64  10.828  -4.831   4.238
  490    HD3  ARG  64           3HD      ARG  64  10.713  -3.294   3.370
  491    HE   ARG  64           HE       ARG  64  11.348  -2.643   6.016
  492   HH11  ARG  64          1HH1      ARG  64  12.987  -4.531   3.440
  493   HH12  ARG  64          2HH1      ARG  64  14.548  -3.908   3.853
  494   HH21  ARG  64          1HH2      ARG  64  13.347  -1.775   6.453
  495   HH22  ARG  64          2HH2      ARG  64  14.779  -2.384   5.674
  496    H    TYR  65           H        TYR  65   6.156  -6.194   5.997
  497    HA   TYR  65           HA       TYR  65   7.194  -8.432   4.330
  498    HB2  TYR  65           2HB      TYR  65   7.256  -8.210   7.361
  499    HB3  TYR  65           3HB      TYR  65   7.700  -9.632   6.426
  500    HD1  TYR  65           1HD      TYR  65   8.730  -6.219   7.422
  501    HD2  TYR  65           2HD      TYR  65   9.802  -9.719   5.139
  502    HE1  TYR  65           1HE      TYR  65  11.027  -5.318   7.123
  503    HE2  TYR  65           2HE      TYR  65  12.103  -8.850   4.872
  504    HH   TYR  65           HH       TYR  65  13.586  -7.125   5.365
  505    H    THR  66           H        THR  66   5.798 -10.384   4.424
  506    HA   THR  66           HA       THR  66   3.004  -9.760   4.916
  507    HB   THR  66           HB       THR  66   2.651 -12.149   4.372
  508    HG1  THR  66           1HG      THR  66   4.405 -13.389   3.763
  509   HG21  THR  66          3HG2      THR  66   4.538 -10.759   2.412
  510   HG22  THR  66          1HG2      THR  66   3.377 -12.052   2.038
  511   HG23  THR  66          2HG2      THR  66   2.787 -10.466   2.561
  512    H    ALA  67           H        ALA  67   1.708 -11.391   6.253
  513    HA   ALA  67           HA       ALA  67   2.400 -11.413   8.996
  514    HB1  ALA  67           3HB      ALA  67   0.612 -13.276   7.373
  515    HB2  ALA  67           1HB      ALA  67   0.567 -13.094   9.143
  516    HB3  ALA  67           2HB      ALA  67   0.105 -11.728   8.102
  517    H    ASP  68           H        ASP  68   2.964 -13.769   6.386
  518    HA   ASP  68           HA       ASP  68   4.119 -15.833   8.043
  519    HB2  ASP  68           2HB      ASP  68   3.134 -16.324   5.852
  520    HB3  ASP  68           3HB      ASP  68   4.344 -15.316   5.054
  521    H    GLY  69           H        GLY  69   5.457 -13.092   6.172
  522    HA2  GLY  69           2HA      GLY  69   7.324 -11.970   7.289
  523    HA3  GLY  69           3HA      GLY  69   8.115 -13.535   7.491
  524    H    LYS  70           H        LYS  70   6.587 -13.299   4.407
  525    HA   LYS  70           HA       LYS  70   9.105 -13.193   2.939
  526    HB2  LYS  70           2HB      LYS  70   6.188 -12.794   2.077
  527    HB3  LYS  70           3HB      LYS  70   7.536 -12.886   0.970
  528    HG2  LYS  70           2HG      LYS  70   6.555 -15.125   2.800
  529    HG3  LYS  70           3HG      LYS  70   6.265 -14.992   1.078
  530    HD2  LYS  70           2HD      LYS  70   8.879 -15.591   2.475
  531    HD3  LYS  70           3HD      LYS  70   7.956 -16.605   1.347
  532    HE2  LYS  70           2HE      LYS  70   8.467 -15.052  -0.510
  533    HE3  LYS  70           3HE      LYS  70   9.325 -13.980   0.602
  534    HZ1  LYS  70           3HZ      LYS  70  10.866 -15.873   1.022
  535    HZ2  LYS  70           1HZ      LYS  70  10.172 -16.676  -0.227
  536    HZ3  LYS  70           2HZ      LYS  70  10.932 -15.233  -0.475
  537    H    GLU  71           H        GLU  71  10.051 -11.271   2.008
  538    HA   GLU  71           HA       GLU  71   9.013  -8.707   2.933
  539    HB2  GLU  71           2HB      GLU  71  11.441  -9.074   2.523
  540    HB3  GLU  71           3HB      GLU  71  11.108  -9.277   0.792
  541    HG2  GLU  71           2HG      GLU  71  10.258  -6.991   0.636
  542    HG3  GLU  71           3HG      GLU  71  10.278  -6.818   2.393
  543    H    VAL  72           H        VAL  72   7.554  -7.477   1.875
  544    HA   VAL  72           HA       VAL  72   5.752  -8.633   0.065
  545    HB   VAL  72           HB       VAL  72   6.323  -5.797   0.977
  546   HG11  VAL  72          1HG1      VAL  72   5.326  -5.387  -1.161
  547   HG12  VAL  72          2HG1      VAL  72   4.126  -6.662  -0.925
  548   HG13  VAL  72          3HG1      VAL  72   4.060  -5.172   0.051
  549   HG21  VAL  72          3HG2      VAL  72   5.383  -7.445   2.610
  550   HG22  VAL  72          1HG2      VAL  72   4.271  -6.108   2.276
  551   HG23  VAL  72          2HG2      VAL  72   4.010  -7.702   1.533
  552    H    LEU  73           H        LEU  73   8.543  -6.472  -0.636
  553    HA   LEU  73           HA       LEU  73   7.885  -6.154  -3.409
  554    HB2  LEU  73           2HB      LEU  73  10.597  -5.986  -2.024
  555    HB3  LEU  73           3HB      LEU  73  10.262  -5.477  -3.675
  556    HG   LEU  73           HG       LEU  73   9.101  -4.235  -1.148
  557   HD11  LEU  73          1HD1      LEU  73  10.449  -2.280  -1.834
  558   HD12  LEU  73          2HD1      LEU  73  11.465  -3.701  -1.555
  559   HD13  LEU  73          3HD1      LEU  73  11.085  -3.192  -3.215
  560   HD21  LEU  73          3HD2      LEU  73   8.178  -2.481  -2.661
  561   HD22  LEU  73          1HD2      LEU  73   8.631  -3.470  -4.065
  562   HD23  LEU  73          2HD2      LEU  73   7.410  -4.047  -2.908
  563    H    GLU  74           H        GLU  74   9.742  -8.679  -1.664
  564    HA   GLU  74           HA       GLU  74  10.675  -9.940  -4.115
  565    HB2  GLU  74           2HB      GLU  74  11.804 -10.210  -1.892
  566    HB3  GLU  74           3HB      GLU  74  10.394 -11.105  -1.304
  567    HG2  GLU  74           2HG      GLU  74  10.738 -12.784  -3.139
  568    HG3  GLU  74           3HG      GLU  74  12.170 -11.894  -3.659
  569    H    TYR  75           H        TYR  75   7.967 -10.435  -1.800
  570    HA   TYR  75           HA       TYR  75   6.929 -12.777  -2.935
  571    HB2  TYR  75           2HB      TYR  75   6.353 -11.749  -0.716
  572    HB3  TYR  75           3HB      TYR  75   5.400 -10.534  -1.548
  573    HD1  TYR  75           1HD      TYR  75   5.737 -14.197  -0.938
  574    HD2  TYR  75           2HD      TYR  75   3.145 -11.028  -2.281
  575    HE1  TYR  75           1HE      TYR  75   3.826 -15.747  -0.824
  576    HE2  TYR  75           2HE      TYR  75   1.223 -12.579  -2.245
  577    HH   TYR  75           HH       TYR  75   1.512 -15.998  -1.159
  578    H    LEU  76           H        LEU  76   6.091  -9.355  -3.667
  579    HA   LEU  76           HA       LEU  76   4.184 -10.161  -5.740
  580    HB2  LEU  76           2HB      LEU  76   5.308  -7.448  -4.932
  581    HB3  LEU  76           3HB      LEU  76   4.049  -7.694  -6.141
  582    HG   LEU  76           HG       LEU  76   3.801  -8.422  -3.182
  583   HD11  LEU  76          1HD1      LEU  76   2.532  -6.182  -4.812
  584   HD12  LEU  76          2HD1      LEU  76   2.220  -6.532  -3.099
  585   HD13  LEU  76          3HD1      LEU  76   3.826  -5.990  -3.607
  586   HD21  LEU  76          3HD2      LEU  76   2.422  -9.942  -4.496
  587   HD22  LEU  76          1HD2      LEU  76   1.395  -8.759  -3.697
  588   HD23  LEU  76          2HD2      LEU  76   1.757  -8.578  -5.426
  589    H    GLY  77           H        GLY  77   7.616  -9.139  -5.639
  590    HA2  GLY  77           2HA      GLY  77   7.850  -8.601  -8.438
  591    HA3  GLY  77           3HA      GLY  77   9.155  -8.942  -7.288
  592    H    ASN  78           H        ASN  78   8.221 -11.570  -6.465
  593    HA   ASN  78           HA       ASN  78   9.498 -13.224  -8.332
  594    HB2  ASN  78           2HB      ASN  78   9.251 -13.847  -5.988
  595    HB3  ASN  78           3HB      ASN  78   7.492 -13.899  -6.150
  596   HD21  ASN  78          2HD2      ASN  78   6.881 -16.068  -6.043
  597   HD22  ASN  78          1HD2      ASN  78   7.732 -17.363  -6.857
  598    HA   PRO  79           HA       PRO  79   6.050 -13.294 -11.245
  599    HB2  PRO  79           2HB      PRO  79   7.075 -14.964 -13.174
  600    HB3  PRO  79           3HB      PRO  79   7.541 -13.249 -12.975
  601    HG2  PRO  79           2HG      PRO  79   8.985 -15.709 -11.949
  602    HG3  PRO  79           3HG      PRO  79   9.676 -14.290 -12.800
  603    HD2  PRO  79           2HD      PRO  79   9.769 -14.516 -10.097
  604    HD3  PRO  79           3HD      PRO  79   9.493 -12.932 -10.876
  605    H    ALA  80           H        ALA  80   7.523 -16.291  -9.930
  606    HA   ALA  80           HA       ALA  80   5.739 -18.098 -11.057
  607    HB1  ALA  80           3HB      ALA  80   7.221 -18.417  -8.421
  608    HB2  ALA  80           1HB      ALA  80   6.627 -19.712  -9.471
  609    HB3  ALA  80           2HB      ALA  80   7.931 -18.655 -10.035
  610    H    ASN  81           H        ASN  81   4.663 -15.797  -8.905
  611    HA   ASN  81           HA       ASN  81   2.323 -17.443  -8.172
  612    HB2  ASN  81           2HB      ASN  81   2.205 -16.479  -5.943
  613    HB3  ASN  81           3HB      ASN  81   3.601 -17.516  -6.185
  614   HD21  ASN  81          2HD2      ASN  81   2.778 -13.972  -6.359
  615   HD22  ASN  81          1HD2      ASN  81   4.294 -13.449  -5.601
  616    H    TYR  82           H        TYR  82   2.480 -15.827 -10.381
  617    HA   TYR  82           HA       TYR  82   1.872 -13.253 -10.361
  618    HB2  TYR  82           2HB      TYR  82   0.199 -15.173 -12.019
  619    HB3  TYR  82           3HB      TYR  82   0.572 -13.511 -12.370
  620    HD1  TYR  82           1HD      TYR  82   2.794 -12.867 -13.208
  621    HD2  TYR  82           2HD      TYR  82   1.825 -16.981 -12.362
  622    HE1  TYR  82           1HE      TYR  82   4.680 -13.572 -14.621
  623    HE2  TYR  82           2HE      TYR  82   3.681 -17.723 -13.837
  624    HH   TYR  82           HH       TYR  82   5.433 -17.055 -15.223
  625    HA   PRO  83           HA       PRO  83  -2.780 -13.346  -9.692
  626    HB2  PRO  83           2HB      PRO  83  -4.109 -15.382  -8.419
  627    HB3  PRO  83           3HB      PRO  83  -3.819 -15.334 -10.184
  628    HG2  PRO  83           2HG      PRO  83  -2.212 -16.808  -8.075
  629    HG3  PRO  83           3HG      PRO  83  -2.809 -17.423  -9.648
  630    HD2  PRO  83           2HD      PRO  83  -0.265 -16.538  -9.335
  631    HD3  PRO  83           3HD      PRO  83  -1.180 -16.243 -10.842
  632    H    VAL  84           H        VAL  84  -2.835 -11.767  -8.160
  633    HA   VAL  84           HA       VAL  84  -2.503 -12.553  -5.312
  634    HB   VAL  84           HB       VAL  84  -1.118 -10.535  -4.946
  635   HG11  VAL  84          1HG1      VAL  84   0.996 -11.480  -5.648
  636   HG12  VAL  84          2HG1      VAL  84  -0.087 -12.791  -5.158
  637   HG13  VAL  84          3HG1      VAL  84   0.206 -12.470  -6.880
  638   HG21  VAL  84          3HG2      VAL  84   0.120  -9.486  -6.799
  639   HG22  VAL  84          1HG2      VAL  84  -0.803 -10.421  -7.986
  640   HG23  VAL  84          2HG2      VAL  84  -1.603  -9.201  -6.975
  641    H    SER  85           H        SER  85  -3.990 -11.675  -4.012
  642    HA   SER  85           HA       SER  85  -5.680  -9.432  -5.029
  643    HB2  SER  85           2HB      SER  85  -6.115 -11.380  -2.734
  644    HB3  SER  85           3HB      SER  85  -7.192 -10.040  -3.179
  645    HG   SER  85           HG       SER  85  -7.540 -10.996  -5.166
  646    H    ILE  86           H        ILE  86  -5.612  -7.476  -3.862
  647    HA   ILE  86           HA       ILE  86  -3.572  -7.292  -1.702
  648    HB   ILE  86           HB       ILE  86  -3.878  -5.284  -3.955
  649   HG12  ILE  86          2HG1      ILE  86  -3.042  -7.346  -5.036
  650   HG13  ILE  86          3HG1      ILE  86  -1.927  -5.997  -5.084
  651   HG21  ILE  86          1HG2      ILE  86  -2.889  -4.340  -1.966
  652   HG22  ILE  86          2HG2      ILE  86  -1.791  -5.721  -1.783
  653   HG23  ILE  86          3HG2      ILE  86  -1.578  -4.579  -3.122
  654   HD11  ILE  86          3HD1      ILE  86  -0.814  -8.163  -4.665
  655   HD12  ILE  86          1HD1      ILE  86  -0.508  -6.988  -3.384
  656   HD13  ILE  86          2HD1      ILE  86  -1.680  -8.299  -3.123
  657    H    ARG  87           H        ARG  87  -4.111  -5.777  -0.153
  658    HA   ARG  87           HA       ARG  87  -6.591  -4.177  -0.563
  659    HB2  ARG  87           2HB      ARG  87  -5.707  -5.110   2.178
  660    HB3  ARG  87           3HB      ARG  87  -7.222  -4.368   1.681
  661    HG2  ARG  87           2HG      ARG  87  -7.657  -6.517   0.304
  662    HG3  ARG  87           3HG      ARG  87  -6.273  -7.215   1.142
  663    HD2  ARG  87           2HD      ARG  87  -8.148  -7.914   2.394
  664    HD3  ARG  87           3HD      ARG  87  -7.465  -6.596   3.347
  665    HE   ARG  87           HE       ARG  87  -9.887  -6.508   1.571
  666   HH11  ARG  87          2HH1      ARG  87  -8.126  -4.899   4.247
  667   HH12  ARG  87          1HH1      ARG  87  -9.307  -3.625   4.369
  668   HH21  ARG  87          1HH2      ARG  87 -11.360  -5.061   1.818
  669   HH22  ARG  87          2HH2      ARG  87 -11.385  -3.928   3.176
  670    H    PHE  88           H        PHE  88  -6.332  -2.055   0.057
  671    HA   PHE  88           HA       PHE  88  -3.582  -1.161   0.774
  672    HB2  PHE  88           2HB      PHE  88  -5.455   0.033  -1.312
  673    HB3  PHE  88           3HB      PHE  88  -3.903   0.684  -0.844
  674    HD1  PHE  88           1HD      PHE  88  -5.608  -1.979  -2.769
  675    HD2  PHE  88           2HD      PHE  88  -1.812  -0.230  -1.678
  676    HE1  PHE  88           1HE      PHE  88  -4.552  -3.045  -4.726
  677    HE2  PHE  88           2HE      PHE  88  -0.743  -1.366  -3.608
  678    HZ   PHE  88           HZ       PHE  88  -2.113  -2.737  -5.163
  679    H    GLY  89           H        GLY  89  -3.671   1.201   1.458
  680    HA2  GLY  89           2HA      GLY  89  -6.175   2.446   2.013
  681    HA3  GLY  89           3HA      GLY  89  -5.464   1.809   3.511
  682    H    ARG  90           H        ARG  90  -5.637   4.305   3.748
  683    HA   ARG  90           HA       ARG  90  -3.488   5.868   2.535
  684    HB2  ARG  90           2HB      ARG  90  -5.081   6.400   5.086
  685    HB3  ARG  90           3HB      ARG  90  -4.104   7.575   4.212
  686    HG2  ARG  90           2HG      ARG  90  -6.715   6.293   3.309
  687    HG3  ARG  90           3HG      ARG  90  -6.433   7.982   3.730
  688    HD2  ARG  90           2HD      ARG  90  -4.926   8.202   1.740
  689    HD3  ARG  90           3HD      ARG  90  -5.251   6.520   1.326
  690    HE   ARG  90           HE       ARG  90  -7.444   7.000   0.706
  691   HH11  ARG  90          1HH2      ARG  90  -5.779   9.996   1.686
  692   HH12  ARG  90          2HH2      ARG  90  -6.879  11.024   0.846
  693   HH21  ARG  90          1HH1      ARG  90  -8.859   8.308  -0.338
  694   HH22  ARG  90          2HH1      ARG  90  -8.678  10.042  -0.386
  695    HA   PRO  91           HA       PRO  91  -0.251   4.245   5.005
  696    HB2  PRO  91           2HB      PRO  91   1.505   6.368   5.293
  697    HB3  PRO  91           3HB      PRO  91   1.276   5.438   3.778
  698    HG2  PRO  91           2HG      PRO  91   0.018   8.079   4.568
  699    HG3  PRO  91           3HG      PRO  91   0.779   7.635   3.007
  700    HD2  PRO  91           2HD      PRO  91  -1.914   7.573   3.345
  701    HD3  PRO  91           3HD      PRO  91  -1.083   6.323   2.370
  702    H    ARG  92           H        ARG  92  -2.043   6.977   6.260
  703    HA   ARG  92           HA       ARG  92  -1.696   5.882   8.954
  704    HB2  ARG  92           2HB      ARG  92  -1.330   8.807   8.174
  705    HB3  ARG  92           3HB      ARG  92  -1.852   8.374   9.787
  706    HG2  ARG  92           2HG      ARG  92   0.747   7.275   8.647
  707    HG3  ARG  92           3HG      ARG  92   0.636   8.871   9.361
  708    HD2  ARG  92           2HD      ARG  92   1.454   7.391  11.034
  709    HD3  ARG  92           3HD      ARG  92  -0.151   7.922  11.502
  710    HE   ARG  92           HE       ARG  92   0.691   5.228  10.559
  711   HH11  ARG  92          1HH1      ARG  92  -1.930   7.208  12.018
  712   HH12  ARG  92          2HH1      ARG  92  -2.949   5.804  12.259
  713   HH21  ARG  92          1HH2      ARG  92  -0.715   3.427  11.097
  714   HH22  ARG  92          2HH2      ARG  92  -2.265   3.792  11.836
  715    H    LEU  93           H        LEU  93  -3.594   6.247  10.240
  716    HA   LEU  93           HA       LEU  93  -5.979   7.363   8.879
  717    HB2  LEU  93           2HB      LEU  93  -5.753   4.679  10.321
  718    HB3  LEU  93           3HB      LEU  93  -7.268   5.521  10.101
  719    HG   LEU  93           HG       LEU  93  -7.233   3.808   8.542
  720   HD11  LEU  93          1HD1      LEU  93  -7.446   4.912   6.390
  721   HD12  LEU  93          2HD1      LEU  93  -8.137   5.925   7.670
  722   HD13  LEU  93          3HD1      LEU  93  -6.550   6.324   6.972
  723   HD21  LEU  93          3HD2      LEU  93  -4.606   4.723   7.340
  724   HD22  LEU  93          1HD2      LEU  93  -4.777   3.380   8.491
  725   HD23  LEU  93          2HD2      LEU  93  -5.569   3.308   6.911
  726    H    THR  94           H        THR  94  -7.513   8.196  10.442
  727    HA   THR  94           HA       THR  94  -6.295   9.523  12.627
  728    HB   THR  94           HB       THR  94  -8.840   9.950  13.146
  729    HG1  THR  94           1HG      THR  94  -9.677   8.267  11.881
  730   HG21  THR  94          3HG2      THR  94  -8.955  11.603  11.313
  731   HG22  THR  94          1HG2      THR  94  -7.354  11.594  12.065
  732   HG23  THR  94          2HG2      THR  94  -7.594  10.807  10.489
  733    H    SER  95           H        SER  95  -5.843   8.840  14.608
  734    HA   SER  95           HA       SER  95  -5.609   7.558  16.423
  735    HB2  SER  95           2HB      SER  95  -8.624   7.290  16.204
  736    HB3  SER  95           3HB      SER  95  -7.646   7.209  17.680
  737    HG   SER  95           HG       SER  95  -8.604   9.270  17.375
  738    H    ASN  96           H        ASN  96  -5.299   6.007  13.915
  739    HA   ASN  96           HA       ASN  96  -5.622   3.283  15.043
  740    HB2  ASN  96           2HB      ASN  96  -7.619   3.515  13.694
  741    HB3  ASN  96           3HB      ASN  96  -6.712   4.236  12.369
  742   HD21  ASN  96          2HD2      ASN  96  -4.933   2.827  11.426
  743   HD22  ASN  96          1HD2      ASN  96  -5.318   1.120  11.197
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1 -33.642 -11.788   7.707
    2    H2   MET   1           H2       MET   1 -32.626 -11.060   8.764
    3    H3   MET   1           H3       MET   1 -33.747 -10.170   7.980
    4    HA   MET   1           HA       MET   1 -31.462 -11.535   6.735
    5    HB2  MET   1           2HB      MET   1 -33.598  -9.747   5.484
    6    HB3  MET   1           3HB      MET   1 -32.077 -10.177   4.703
    7    HG2  MET   1           2HG      MET   1 -34.250 -12.131   5.538
    8    HG3  MET   1           3HG      MET   1 -33.891 -11.583   3.907
    9    HE1  MET   1           3HE      MET   1 -34.211 -14.635   4.672
   10    HE2  MET   1           1HE      MET   1 -33.841 -14.056   3.031
   11    HE3  MET   1           2HE      MET   1 -32.863 -15.348   3.761
   12    H    GLY   2           H        GLY   2 -29.562 -10.395   6.696
   13    HA2  GLY   2           2HA      GLY   2 -29.267  -7.602   6.626
   14    HA3  GLY   2           3HA      GLY   2 -29.178  -8.115   8.321
   15    H    HIS   3           H        HIS   3 -26.927  -7.107   7.682
   16    HA   HIS   3           HA       HIS   3 -25.025  -9.321   7.295
   17    HB2  HIS   3           2HB      HIS   3 -24.889  -6.674   5.776
   18    HB3  HIS   3           3HB      HIS   3 -23.624  -7.895   5.813
   19    HD1  HIS   3           1HD      HIS   3 -24.231 -10.274   4.483
   20    HD2  HIS   3           2HD      HIS   3 -26.843  -7.002   4.015
   21    HE1  HIS   3           1HE      HIS   3 -25.686 -10.804   2.464
   22    H    HIS   4           H        HIS   4 -22.837  -8.608   8.090
   23    HA   HIS   4           HA       HIS   4 -22.828  -6.342   9.979
   24    HB2  HIS   4           2HB      HIS   4 -22.211  -9.228  10.763
   25    HB3  HIS   4           3HB      HIS   4 -21.975  -7.815  11.783
   26    HD1  HIS   4           1HD      HIS   4 -24.335  -6.568  12.633
   27    HD2  HIS   4           2HD      HIS   4 -24.620 -10.322  10.743
   28    HE1  HIS   4           1HE      HIS   4 -26.665  -7.452  13.146
   29    H    HIS   5           H        HIS   5 -20.600  -5.986  10.785
   30    HA   HIS   5           HA       HIS   5 -18.371  -7.182   9.272
   31    HB2  HIS   5           2HB      HIS   5 -18.891  -4.183   9.564
   32    HB3  HIS   5           3HB      HIS   5 -17.355  -4.883   9.087
   33    HD1  HIS   5           1HD      HIS   5 -19.697  -6.858   7.138
   34    HD2  HIS   5           2HD      HIS   5 -18.190  -2.929   7.062
   35    HE1  HIS   5           1HE      HIS   5 -19.989  -6.025   4.744
   36    H    HIS   6           H        HIS   6 -16.283  -6.520  10.459
   37    HA   HIS   6           HA       HIS   6 -16.675  -5.898  13.326
   38    HB2  HIS   6           2HB      HIS   6 -15.113  -8.296  12.272
   39    HB3  HIS   6           3HB      HIS   6 -15.172  -7.755  13.946
   40    HD1  HIS   6           1HD      HIS   6 -17.663  -8.083  15.196
   41    HD2  HIS   6           2HD      HIS   6 -17.072  -9.864  11.424
   42    HE1  HIS   6           1HE      HIS   6 -19.543  -9.770  14.900
   43    H    HIS   7           H        HIS   7 -14.890  -4.842  14.207
   44    HA   HIS   7           HA       HIS   7 -12.520  -4.255  12.570
   45    HB2  HIS   7           2HB      HIS   7 -14.343  -2.065  13.668
   46    HB3  HIS   7           3HB      HIS   7 -12.842  -1.836  12.781
   47    HD1  HIS   7           1HD      HIS   7 -13.027  -2.040  10.057
   48    HD2  HIS   7           2HD      HIS   7 -16.563  -2.679  12.264
   49    HE1  HIS   7           1HE      HIS   7 -14.920  -2.151   8.371
   50    H    HIS   8           H        HIS   8 -10.877  -3.172  13.941
   51    HA   HIS   8           HA       HIS   8 -11.270  -3.308  16.869
   52    HB2  HIS   8           2HB      HIS   8  -8.898  -4.530  15.402
   53    HB3  HIS   8           3HB      HIS   8  -9.234  -4.588  17.128
   54    HD1  HIS   8           1HD      HIS   8  -9.939  -6.487  13.957
   55    HD2  HIS   8           2HD      HIS   8 -11.414  -6.182  17.889
   56    HE1  HIS   8           1HE      HIS   8 -11.392  -8.545  14.337
   57    H    LEU   9           H        LEU   9  -8.684  -2.617  17.558
   58    HA   LEU   9           HA       LEU   9  -8.604   0.144  17.265
   59    HB2  LEU   9           2HB      LEU   9  -7.428  -1.057  19.037
   60    HB3  LEU   9           3HB      LEU   9  -6.354  -1.813  17.855
   61    HG   LEU   9           HG       LEU   9  -5.387   0.405  17.287
   62   HD11  LEU   9          1HD1      LEU   9  -7.263   1.915  17.792
   63   HD12  LEU   9          2HD1      LEU   9  -7.196   1.461  19.509
   64   HD13  LEU   9          3HD1      LEU   9  -5.859   2.360  18.759
   65   HD21  LEU   9          3HD2      LEU   9  -5.373  -0.214  20.270
   66   HD22  LEU   9          1HD2      LEU   9  -4.362  -0.995  19.035
   67   HD23  LEU   9          2HD2      LEU   9  -4.152   0.727  19.382
   68    H    ASP  10           H        ASP  10  -8.210   1.392  15.596
   69    HA   ASP  10           HA       ASP  10  -7.928   2.037  13.506
   70    HB2  ASP  10           2HB      ASP  10  -5.983   2.634  14.876
   71    HB3  ASP  10           3HB      ASP  10  -5.079   1.281  14.179
   72    H    SER  11           H        SER  11  -8.807  -0.717  13.394
   73    HA   SER  11           HA       SER  11  -7.500  -2.055  11.206
   74    HB2  SER  11           2HB      SER  11 -10.425  -2.066  12.067
   75    HB3  SER  11           3HB      SER  11  -9.643  -3.264  11.024
   76    HG   SER  11           HG       SER  11  -8.280  -3.802  12.780
   77    H    TYR  12           H        TYR  12  -8.707  -2.368   9.075
   78    HA   TYR  12           HA       TYR  12  -9.134   0.071   7.634
   79    HB2  TYR  12           2HB      TYR  12  -9.917  -1.400   5.842
   80    HB3  TYR  12           3HB      TYR  12  -8.421  -1.996   6.531
   81    HD1  TYR  12           2HD      TYR  12 -12.069  -2.594   6.203
   82    HD2  TYR  12           1HD      TYR  12  -8.353  -4.122   7.794
   83    HE1  TYR  12           2HE      TYR  12 -13.160  -4.764   6.647
   84    HE2  TYR  12           1HE      TYR  12  -9.446  -6.299   8.252
   85    HH   TYR  12           HH       TYR  12 -12.901  -6.929   7.482
   86    H    ALA  13           H        ALA  13 -11.274   0.599   6.566
   87    HA   ALA  13           HA       ALA  13 -13.669   0.035   8.174
   88    HB1  ALA  13           3HB      ALA  13 -12.452   2.825   7.825
   89    HB2  ALA  13           1HB      ALA  13 -14.015   2.473   8.588
   90    HB3  ALA  13           2HB      ALA  13 -12.521   1.909   9.346
   91    HA   PRO  14           HA       PRO  14 -15.718   0.518   4.276
   92    HB2  PRO  14           2HB      PRO  14 -17.491   2.641   5.499
   93    HB3  PRO  14           3HB      PRO  14 -17.954   1.218   4.514
   94    HG2  PRO  14           2HG      PRO  14 -18.222   1.135   7.201
   95    HG3  PRO  14           3HG      PRO  14 -17.516  -0.273   6.339
   96    HD2  PRO  14           2HD      PRO  14 -16.082   1.941   7.818
   97    HD3  PRO  14           3HD      PRO  14 -15.804   0.176   7.883
   98    H    ARG  15           H        ARG  15 -14.017   3.245   5.442
   99    HA   ARG  15           HA       ARG  15 -14.337   4.706   2.845
  100    HB2  ARG  15           2HB      ARG  15 -13.402   5.780   5.535
  101    HB3  ARG  15           3HB      ARG  15 -13.556   6.710   4.053
  102    HG2  ARG  15           2HG      ARG  15 -15.893   5.468   5.576
  103    HG3  ARG  15           3HG      ARG  15 -15.350   7.133   5.686
  104    HD2  ARG  15           2HD      ARG  15 -17.234   7.152   4.261
  105    HD3  ARG  15           3HD      ARG  15 -15.819   7.428   3.229
  106    HE   ARG  15           HE       ARG  15 -16.319   4.652   3.271
  107   HH11  ARG  15          1HH1      ARG  15 -18.001   7.534   2.050
  108   HH12  ARG  15          2HH1      ARG  15 -18.755   6.689   0.748
  109   HH21  ARG  15          1HH2      ARG  15 -17.236   3.568   1.610
  110   HH22  ARG  15          2HH2      ARG  15 -18.322   4.334   0.490
  111    H    ALA  16           H        ALA  16 -12.475   2.349   3.912
  112    HA   ALA  16           HA       ALA  16  -9.814   3.366   3.396
  113    HB1  ALA  16           3HB      ALA  16 -10.232   1.257   4.641
  114    HB2  ALA  16           1HB      ALA  16 -10.967   0.545   3.185
  115    HB3  ALA  16           2HB      ALA  16  -9.243   0.967   3.202
  116    H    GLU  17           H        GLU  17  -8.621   2.252   1.454
  117    HA   GLU  17           HA       GLU  17  -9.891   3.206  -1.018
  118    HB2  GLU  17           2HB      GLU  17  -7.159   1.996  -0.466
  119    HB3  GLU  17           3HB      GLU  17  -7.658   2.673  -2.003
  120    HG2  GLU  17           2HG      GLU  17  -7.458   4.225   0.615
  121    HG3  GLU  17           3HG      GLU  17  -6.248   4.193  -0.640
  122    H    ALA  18           H        ALA  18  -9.113   1.573  -2.945
  123    HA   ALA  18           HA       ALA  18 -11.076  -0.434  -2.926
  124    HB1  ALA  18           3HB      ALA  18 -10.257   0.744  -4.948
  125    HB2  ALA  18           1HB      ALA  18  -8.699  -0.107  -4.805
  126    HB3  ALA  18           2HB      ALA  18 -10.183  -1.014  -5.139
  127    H    GLU  19           H        GLU  19 -10.727  -2.670  -3.591
  128    HA   GLU  19           HA       GLU  19  -8.473  -4.152  -2.371
  129    HB2  GLU  19           2HB      GLU  19 -11.456  -4.772  -2.067
  130    HB3  GLU  19           3HB      GLU  19 -10.133  -5.770  -1.469
  131    HG2  GLU  19           2HG      GLU  19  -9.561  -4.150   0.222
  132    HG3  GLU  19           3HG      GLU  19 -10.605  -2.918  -0.480
  133    H    LYS  20           H        LYS  20  -7.718  -5.424  -4.156
  134    HA   LYS  20           HA       LYS  20  -9.650  -6.165  -6.269
  135    HB2  LYS  20           2HB      LYS  20  -9.198  -3.837  -6.775
  136    HB3  LYS  20           3HB      LYS  20  -7.454  -4.076  -6.642
  137    HG2  LYS  20           2HG      LYS  20  -7.384  -5.381  -8.606
  138    HG3  LYS  20           3HG      LYS  20  -9.155  -5.540  -8.691
  139    HD2  LYS  20           2HD      LYS  20  -9.306  -3.107  -9.165
  140    HD3  LYS  20           3HD      LYS  20  -7.535  -2.989  -9.135
  141    HE2  LYS  20           2HE      LYS  20  -9.131  -4.847 -10.968
  142    HE3  LYS  20           3HE      LYS  20  -8.565  -3.243 -11.450
  143    HZ1  LYS  20           3HZ      LYS  20  -6.719  -5.387 -10.564
  144    HZ2  LYS  20           1HZ      LYS  20  -7.099  -5.085 -12.130
  145    HZ3  LYS  20           2HZ      LYS  20  -6.352  -3.915 -11.281
  146    H    THR  21           H        THR  21  -8.833  -7.579  -7.862
  147    HA   THR  21           HA       THR  21  -6.607  -9.286  -7.096
  148    HB   THR  21           HB       THR  21  -7.532 -10.417  -9.298
  149    HG1  THR  21           1HG      THR  21  -9.624  -9.870  -9.772
  150   HG21  THR  21          3HG2      THR  21  -7.792 -11.379  -7.067
  151   HG22  THR  21          1HG2      THR  21  -9.153 -10.292  -6.712
  152   HG23  THR  21          2HG2      THR  21  -9.304 -11.545  -7.968
  153    H    PHE  22           H        PHE  22  -4.757  -9.603  -8.342
  154    HA   PHE  22           HA       PHE  22  -4.309  -7.914 -10.725
  155    HB2  PHE  22           2HB      PHE  22  -2.456  -7.958  -8.305
  156    HB3  PHE  22           3HB      PHE  22  -2.097  -7.213  -9.847
  157    HD1  PHE  22           2HD      PHE  22  -3.150  -5.096 -10.533
  158    HD2  PHE  22           1HD      PHE  22  -4.066  -6.915  -6.729
  159    HE1  PHE  22           2HE      PHE  22  -4.174  -2.977  -9.755
  160    HE2  PHE  22           1HE      PHE  22  -5.112  -4.802  -5.971
  161    HZ   PHE  22           HZ       PHE  22  -5.174  -2.825  -7.489
  162    H    SER  23           H        SER  23  -2.329  -8.628 -11.867
  163    HA   SER  23           HA       SER  23  -1.010 -11.074 -11.144
  164    HB2  SER  23           2HB      SER  23  -2.695 -10.980 -13.692
  165    HB3  SER  23           3HB      SER  23  -1.521 -12.244 -13.277
  166    HG   SER  23           HG       SER  23  -3.358 -11.736 -11.302
  167    H    TYR  24           H        TYR  24   0.723 -11.455 -12.950
  168    HA   TYR  24           HA       TYR  24   1.682  -8.824 -13.912
  169    HB2  TYR  24           2HB      TYR  24   3.161 -10.914 -12.312
  170    HB3  TYR  24           3HB      TYR  24   3.873  -9.424 -12.864
  171    HD1  TYR  24           2HD      TYR  24   1.782  -7.399 -12.174
  172    HD2  TYR  24           1HD      TYR  24   3.203 -10.826  -9.974
  173    HE1  TYR  24           2HE      TYR  24   1.052  -6.337 -10.075
  174    HE2  TYR  24           1HE      TYR  24   2.400  -9.798  -7.860
  175    HH   TYR  24           HH       TYR  24   0.848  -6.555  -7.774
  176    HA   PRO  25           HA       PRO  25   5.032  -9.506 -14.693
  177    HB2  PRO  25           2HB      PRO  25   4.686  -8.368 -17.470
  178    HB3  PRO  25           3HB      PRO  25   6.200  -8.731 -16.579
  179    HG2  PRO  25           2HG      PRO  25   5.275 -10.492 -18.400
  180    HG3  PRO  25           3HG      PRO  25   5.845 -11.095 -16.807
  181    HD2  PRO  25           2HD      PRO  25   3.005 -10.598 -17.727
  182    HD3  PRO  25           3HD      PRO  25   3.668 -11.986 -16.821
  183    H    LEU  26           H        LEU  26   5.500  -7.395 -14.046
  184    HA   LEU  26           HA       LEU  26   3.297  -6.017 -13.005
  185    HB2  LEU  26           2HB      LEU  26   6.250  -5.367 -13.225
  186    HB3  LEU  26           3HB      LEU  26   5.120  -4.154 -12.665
  187    HG   LEU  26           HG       LEU  26   4.334  -5.685 -10.855
  188   HD11  LEU  26          1HD1      LEU  26   5.811  -7.573 -10.190
  189   HD12  LEU  26          2HD1      LEU  26   5.019  -7.873 -11.728
  190   HD13  LEU  26          3HD1      LEU  26   6.729  -7.386 -11.702
  191   HD21  LEU  26          3HD2      LEU  26   6.323  -5.340  -9.428
  192   HD22  LEU  26          1HD2      LEU  26   7.309  -5.012 -10.873
  193   HD23  LEU  26          2HD2      LEU  26   5.983  -3.920 -10.420
  194    H    ASP  27           H        ASP  27   2.119  -4.312 -13.570
  195    HA   ASP  27           HA       ASP  27   3.033  -2.458 -15.681
  196    HB2  ASP  27           2HB      ASP  27   1.405  -4.066 -16.702
  197    HB3  ASP  27           3HB      ASP  27   0.195  -3.546 -15.521
  198    H    LEU  28           H        LEU  28   2.983  -2.618 -12.740
  199    HA   LEU  28           HA       LEU  28   2.169   0.045 -12.103
  200    HB2  LEU  28           2HB      LEU  28   0.918  -0.543 -10.064
  201    HB3  LEU  28           3HB      LEU  28   0.085  -0.994 -11.533
  202    HG   LEU  28           HG       LEU  28   0.789  -3.398 -11.136
  203   HD11  LEU  28          1HD1      LEU  28   2.663  -3.266  -9.605
  204   HD12  LEU  28          2HD1      LEU  28   1.731  -2.266  -8.465
  205   HD13  LEU  28          3HD1      LEU  28   1.328  -3.975  -8.719
  206   HD21  LEU  28          3HD2      LEU  28  -1.442  -2.519 -10.562
  207   HD22  LEU  28          1HD2      LEU  28  -0.925  -3.750  -9.406
  208   HD23  LEU  28          2HD2      LEU  28  -0.850  -2.034  -8.958
  209    H    LEU  29           H        LEU  29   3.138   0.407  -9.733
  210    HA   LEU  29           HA       LEU  29   5.520  -1.320  -9.296
  211    HB2  LEU  29           2HB      LEU  29   5.538   1.664  -9.933
  212    HB3  LEU  29           3HB      LEU  29   6.894   0.830  -9.177
  213    HG   LEU  29           HG       LEU  29   5.811   0.184 -11.952
  214   HD11  LEU  29          1HD1      LEU  29   7.830   1.321 -12.774
  215   HD12  LEU  29          2HD1      LEU  29   6.810   2.429 -11.846
  216   HD13  LEU  29          3HD1      LEU  29   8.281   1.756 -11.110
  217   HD21  LEU  29          3HD2      LEU  29   8.336  -0.754 -10.504
  218   HD22  LEU  29          1HD2      LEU  29   6.943  -1.763 -10.949
  219   HD23  LEU  29          2HD2      LEU  29   7.950  -1.062 -12.211
  220    H    LEU  30           H        LEU  30   6.310  -1.177  -7.206
  221    HA   LEU  30           HA       LEU  30   4.959   0.597  -5.251
  222    HB2  LEU  30           2HB      LEU  30   5.402  -2.407  -5.083
  223    HB3  LEU  30           3HB      LEU  30   5.450  -1.409  -3.643
  224    HG   LEU  30           HG       LEU  30   3.135  -0.668  -3.988
  225   HD11  LEU  30          1HD1      LEU  30   1.661  -2.041  -5.523
  226   HD12  LEU  30          2HD1      LEU  30   2.707  -0.907  -6.356
  227   HD13  LEU  30          3HD1      LEU  30   3.136  -2.634  -6.319
  228   HD21  LEU  30          3HD2      LEU  30   2.091  -2.822  -3.384
  229   HD22  LEU  30          1HD2      LEU  30   3.540  -3.686  -3.938
  230   HD23  LEU  30          2HD2      LEU  30   3.635  -2.583  -2.548
  231    H    LYS  31           H        LYS  31   6.431   1.136  -3.453
  232    HA   LYS  31           HA       LYS  31   9.204   0.189  -3.674
  233    HB2  LYS  31           2HB      LYS  31  10.274   2.200  -3.913
  234    HB3  LYS  31           3HB      LYS  31   8.958   2.372  -5.050
  235    HG2  LYS  31           2HG      LYS  31   9.172   3.650  -2.282
  236    HG3  LYS  31           3HG      LYS  31   9.440   4.429  -3.832
  237    HD2  LYS  31           2HD      LYS  31   7.030   4.082  -4.411
  238    HD3  LYS  31           3HD      LYS  31   6.774   3.346  -2.832
  239    HE2  LYS  31           2HE      LYS  31   6.021   5.633  -2.757
  240    HE3  LYS  31           3HE      LYS  31   7.436   5.458  -1.724
  241    HZ1  LYS  31           3HZ      LYS  31   7.452   6.622  -4.460
  242    HZ2  LYS  31           1HZ      LYS  31   7.539   7.467  -3.075
  243    HZ3  LYS  31           2HZ      LYS  31   8.766   6.486  -3.496
  244    H    LEU  32           H        LEU  32  10.428   0.545  -1.696
  245    HA   LEU  32           HA       LEU  32   8.777   0.613   0.730
  246    HB2  LEU  32           2HB      LEU  32  10.586  -0.959   0.663
  247    HB3  LEU  32           3HB      LEU  32  11.745   0.278   0.170
  248    HG   LEU  32           HG       LEU  32  11.699   1.319   2.353
  249   HD11  LEU  32          1HD1      LEU  32   9.388   1.042   3.068
  250   HD12  LEU  32          2HD1      LEU  32   9.558  -0.725   3.075
  251   HD13  LEU  32          3HD1      LEU  32  10.450   0.290   4.243
  252   HD21  LEU  32          3HD2      LEU  32  12.645  -0.523   3.692
  253   HD22  LEU  32          1HD2      LEU  32  11.916  -1.720   2.601
  254   HD23  LEU  32          2HD2      LEU  32  13.187  -0.629   2.011
  255    H    HIS  33           H        HIS  33   8.225   2.528   1.683
  256    HA   HIS  33           HA       HIS  33  10.171   4.680   1.949
  257    HB2  HIS  33           2HB      HIS  33   9.055   5.226  -0.207
  258    HB3  HIS  33           3HB      HIS  33   7.480   5.128   0.585
  259    HD1  HIS  33           1HD      HIS  33   6.778   7.291   2.062
  260    HD2  HIS  33           2HD      HIS  33  10.646   7.353   0.392
  261    HE1  HIS  33           1HE      HIS  33   7.659   9.653   2.390
  262    H    ASP  34           H        ASP  34   9.703   5.895   3.813
  263    HA   ASP  34           HA       ASP  34   9.177   5.942   6.000
  264    HB2  ASP  34           2HB      ASP  34   7.540   7.476   4.979
  265    HB3  ASP  34           3HB      ASP  34   6.351   6.171   4.927
  266    H    GLU  35           H        GLU  35   9.840   3.521   5.540
  267    HA   GLU  35           HA       GLU  35   9.838   1.403   6.176
  268    HB2  GLU  35           2HB      GLU  35   8.370   2.751   8.445
  269    HB3  GLU  35           3HB      GLU  35   8.497   1.013   8.454
  270    HG2  GLU  35           2HG      GLU  35  11.056   1.405   7.983
  271    HG3  GLU  35           3HG      GLU  35  10.734   3.045   8.548
  272    H    ARG  36           H        ARG  36   7.240   2.321   4.515
  273    HA   ARG  36           HA       ARG  36   5.979  -0.388   4.752
  274    HB2  ARG  36           2HB      ARG  36   4.661   2.246   4.003
  275    HB3  ARG  36           3HB      ARG  36   3.862   0.675   4.047
  276    HG2  ARG  36           2HG      ARG  36   4.074   0.590   6.506
  277    HG3  ARG  36           3HG      ARG  36   4.970   2.120   6.490
  278    HD2  ARG  36           2HD      ARG  36   2.930   3.067   5.156
  279    HD3  ARG  36           3HD      ARG  36   2.084   1.610   5.675
  280    HE   ARG  36           HE       ARG  36   1.694   2.626   7.659
  281   HH11  ARG  36          1HH1      ARG  36   4.823   4.012   6.642
  282   HH12  ARG  36          2HH1      ARG  36   4.552   5.539   7.374
  283   HH21  ARG  36          1HH2      ARG  36   1.340   4.684   8.656
  284   HH22  ARG  36          2HH2      ARG  36   2.665   5.790   8.805
  285    H    VAL  37           H        VAL  37   5.002  -1.130   2.661
  286    HA   VAL  37           HA       VAL  37   6.511  -0.042   0.334
  287    HB   VAL  37           HB       VAL  37   5.376  -1.867  -0.934
  288   HG11  VAL  37          1HG1      VAL  37   7.209  -2.679   1.361
  289   HG12  VAL  37          2HG1      VAL  37   6.937  -3.599  -0.135
  290   HG13  VAL  37          3HG1      VAL  37   7.711  -2.009  -0.203
  291   HG21  VAL  37          3HG2      VAL  37   4.470  -3.776   0.215
  292   HG22  VAL  37          1HG2      VAL  37   4.709  -3.041   1.806
  293   HG23  VAL  37          2HG2      VAL  37   3.525  -2.368   0.672
  294    H    LEU  38           H        LEU  38   5.639   1.485  -0.889
  295    HA   LEU  38           HA       LEU  38   2.719   2.045  -0.640
  296    HB2  LEU  38           2HB      LEU  38   4.892   4.027  -1.380
  297    HB3  LEU  38           3HB      LEU  38   3.181   4.357  -1.155
  298    HG   LEU  38           HG       LEU  38   5.213   3.660   0.985
  299   HD11  LEU  38          1HD1      LEU  38   3.578   6.188   0.509
  300   HD12  LEU  38          2HD1      LEU  38   4.795   5.934   1.779
  301   HD13  LEU  38          3HD1      LEU  38   5.288   5.980   0.075
  302   HD21  LEU  38          3HD2      LEU  38   3.396   4.135   2.633
  303   HD22  LEU  38          1HD2      LEU  38   2.224   4.138   1.295
  304   HD23  LEU  38          2HD2      LEU  38   3.136   2.659   1.706
  305    H    VAL  39           H        VAL  39   1.651   2.476  -2.607
  306    HA   VAL  39           HA       VAL  39   2.704   1.317  -5.022
  307    HB   VAL  39           HB       VAL  39   0.281   3.088  -4.488
  308   HG11  VAL  39          1HG1      VAL  39  -0.583   2.174  -6.644
  309   HG12  VAL  39          2HG1      VAL  39   0.835   3.195  -6.874
  310   HG13  VAL  39          3HG1      VAL  39   0.997   1.423  -6.951
  311   HG21  VAL  39          3HG2      VAL  39   0.568   0.058  -4.785
  312   HG22  VAL  39          1HG2      VAL  39   0.220   0.919  -3.273
  313   HG23  VAL  39          2HG2      VAL  39  -0.955   0.933  -4.576
  314    H    ALA  40           H        ALA  40   4.316   2.172  -6.119
  315    HA   ALA  40           HA       ALA  40   5.122   4.965  -5.982
  316    HB1  ALA  40           3HB      ALA  40   6.908   4.264  -7.475
  317    HB2  ALA  40           1HB      ALA  40   6.725   2.974  -6.266
  318    HB3  ALA  40           2HB      ALA  40   6.059   2.769  -7.886
  319    H    PHE  41           H        PHE  41   3.445   2.778  -8.245
  320    HA   PHE  41           HA       PHE  41   2.011   5.011  -9.379
  321    HB2  PHE  41           2HB      PHE  41   4.068   5.048 -10.811
  322    HB3  PHE  41           3HB      PHE  41   3.791   3.362 -11.233
  323    HD1  PHE  41           2HD      PHE  41   2.358   6.812 -11.440
  324    HD2  PHE  41           1HD      PHE  41   2.175   2.773 -12.957
  325    HE1  PHE  41           2HE      PHE  41   0.795   7.548 -13.220
  326    HE2  PHE  41           1HE      PHE  41   0.604   3.513 -14.727
  327    HZ   PHE  41           HZ       PHE  41  -0.082   5.908 -14.865
  328    H    GLY  42           H        GLY  42   0.032   4.305 -10.065
  329    HA2  GLY  42           2HA      GLY  42  -0.405   1.770 -11.325
  330    HA3  GLY  42           3HA      GLY  42  -1.078   1.785  -9.676
  331    H    GLN  43           H        GLN  43  -0.870   4.787 -11.575
  332    HA   GLN  43           HA       GLN  43  -3.594   5.237 -10.912
  333    HB2  GLN  43           2HB      GLN  43  -1.806   6.963 -10.967
  334    HB3  GLN  43           3HB      GLN  43  -1.777   6.862 -12.731
  335    HG2  GLN  43           2HG      GLN  43  -3.045   8.802 -11.912
  336    HG3  GLN  43           3HG      GLN  43  -4.054   7.719 -12.864
  337   HE21  GLN  43          2HE2      GLN  43  -5.702   6.459 -11.776
  338   HE22  GLN  43          1HE2      GLN  43  -6.220   6.831 -10.138
  339    H    ARG  44           H        ARG  44  -2.103   3.951 -13.852
  340    HA   ARG  44           HA       ARG  44  -4.422   4.387 -15.542
  341    HB2  ARG  44           2HB      ARG  44  -2.063   2.465 -15.719
  342    HB3  ARG  44           3HB      ARG  44  -3.388   2.479 -16.894
  343    HG2  ARG  44           2HG      ARG  44  -2.969   4.885 -17.354
  344    HG3  ARG  44           3HG      ARG  44  -1.572   4.849 -16.278
  345    HD2  ARG  44           2HD      ARG  44  -1.900   3.119 -18.777
  346    HD3  ARG  44           3HD      ARG  44  -1.043   4.652 -18.722
  347    HE   ARG  44           HE       ARG  44   0.700   3.746 -17.507
  348   HH11  ARG  44          1HH1      ARG  44  -1.718   1.203 -18.162
  349   HH12  ARG  44          2HH1      ARG  44  -0.643  -0.095 -17.725
  350   HH21  ARG  44          1HH2      ARG  44   2.129   1.983 -17.086
  351   HH22  ARG  44          2HH2      ARG  44   1.559   0.349 -17.289
  352    H    ASP  45           H        ASP  45  -3.468   1.778 -13.268
  353    HA   ASP  45           HA       ASP  45  -5.771   0.102 -13.868
  354    HB2  ASP  45           2HB      ASP  45  -3.816  -0.831 -12.745
  355    HB3  ASP  45           3HB      ASP  45  -3.995   0.294 -11.402
  356    H    GLY  46           H        GLY  46  -4.975   2.692 -11.564
  357    HA2  GLY  46           2HA      GLY  46  -6.999   4.322 -11.567
  358    HA3  GLY  46           3HA      GLY  46  -7.807   2.995 -10.716
  359    H    ILE  47           H        ILE  47  -4.747   2.588  -9.682
  360    HA   ILE  47           HA       ILE  47  -5.496   3.438  -7.070
  361    HB   ILE  47           HB       ILE  47  -2.697   2.549  -7.836
  362   HG12  ILE  47          2HG1      ILE  47  -5.061   0.653  -7.493
  363   HG13  ILE  47          3HG1      ILE  47  -4.194   0.961  -9.001
  364   HG21  ILE  47          1HG2      ILE  47  -3.152   3.260  -5.507
  365   HG22  ILE  47          2HG2      ILE  47  -4.486   2.080  -5.402
  366   HG23  ILE  47          3HG2      ILE  47  -2.812   1.541  -5.560
  367   HD11  ILE  47          3HD1      ILE  47  -3.072  -0.432  -6.559
  368   HD12  ILE  47          1HD1      ILE  47  -3.363  -1.084  -8.176
  369   HD13  ILE  47          2HD1      ILE  47  -2.084   0.119  -7.937
  370    H    ARG  48           H        ARG  48  -5.224   5.424  -6.195
  371    HA   ARG  48           HA       ARG  48  -3.596   7.503  -7.336
  372    HB2  ARG  48           2HB      ARG  48  -5.332   8.333  -6.070
  373    HB3  ARG  48           3HB      ARG  48  -5.184   7.121  -4.815
  374    HG2  ARG  48           2HG      ARG  48  -3.234   8.223  -3.858
  375    HG3  ARG  48           3HG      ARG  48  -3.193   9.378  -5.202
  376    HD2  ARG  48           2HD      ARG  48  -4.146  10.454  -3.284
  377    HD3  ARG  48           3HD      ARG  48  -5.413  10.246  -4.502
  378    HE   ARG  48           HE       ARG  48  -5.474   8.026  -2.696
  379   HH11  ARG  48          1HH1      ARG  48  -6.043  11.556  -2.567
  380   HH12  ARG  48          2HH1      ARG  48  -7.239  11.416  -1.309
  381   HH21  ARG  48          1HH2      ARG  48  -7.279   7.930  -1.113
  382   HH22  ARG  48          2HH2      ARG  48  -7.883   9.455  -0.532
  383    H    VAL  49           H        VAL  49  -1.516   8.090  -6.907
  384    HA   VAL  49           HA       VAL  49   0.331   6.098  -6.091
  385    HB   VAL  49           HB       VAL  49   0.616   9.118  -6.457
  386   HG11  VAL  49          1HG1      VAL  49   3.040   8.638  -6.853
  387   HG12  VAL  49          2HG1      VAL  49   2.546   8.344  -5.185
  388   HG13  VAL  49          3HG1      VAL  49   2.774   6.973  -6.292
  389   HG21  VAL  49          3HG2      VAL  49   1.154   6.790  -8.355
  390   HG22  VAL  49          1HG2      VAL  49  -0.152   7.981  -8.519
  391   HG23  VAL  49          2HG2      VAL  49   1.527   8.492  -8.691
  392    H    GLY  50           H        GLY  50   1.525   5.843  -4.169
  393    HA2  GLY  50           2HA      GLY  50   2.346   6.419  -2.097
  394    HA3  GLY  50           3HA      GLY  50   1.219   7.771  -1.987
  395    H    HIS  51           H        HIS  51  -0.617   5.032  -2.796
  396    HA   HIS  51           HA       HIS  51  -1.697   4.735  -0.108
  397    HB2  HIS  51           2HB      HIS  51  -2.037   3.065  -2.639
  398    HB3  HIS  51           3HB      HIS  51  -2.854   2.737  -1.112
  399    HD1  HIS  51           1HD      HIS  51  -4.564   3.403  -3.660
  400    HD2  HIS  51           2HD      HIS  51  -3.359   6.087  -0.662
  401    HE1  HIS  51           1HE      HIS  51  -6.239   5.325  -3.702
  402    H    ALA  52           H        ALA  52  -1.263   3.187   1.365
  403    HA   ALA  52           HA       ALA  52   1.254   1.647   1.099
  404    HB1  ALA  52           3HB      ALA  52  -0.655   2.164   3.434
  405    HB2  ALA  52           1HB      ALA  52   0.889   1.282   3.533
  406    HB3  ALA  52           2HB      ALA  52   0.873   3.017   3.140
  407    H    VAL  53           H        VAL  53   1.222  -0.599   1.070
  408    HA   VAL  53           HA       VAL  53  -1.291  -1.980   0.537
  409    HB   VAL  53           HB       VAL  53   1.443  -3.103   1.279
  410   HG11  VAL  53          1HG1      VAL  53   0.598  -5.158   0.146
  411   HG12  VAL  53          2HG1      VAL  53  -0.311  -4.788   1.606
  412   HG13  VAL  53          3HG1      VAL  53  -1.010  -4.411   0.022
  413   HG21  VAL  53          3HG2      VAL  53   1.587  -1.790  -0.818
  414   HG22  VAL  53          1HG2      VAL  53   1.691  -3.520  -1.151
  415   HG23  VAL  53          2HG2      VAL  53   0.173  -2.650  -1.464
  416    H    LEU  54           H        LEU  54  -2.497  -3.182   2.002
  417    HA   LEU  54           HA       LEU  54  -1.770  -2.970   4.893
  418    HB2  LEU  54           2HB      LEU  54  -4.544  -2.855   3.659
  419    HB3  LEU  54           3HB      LEU  54  -4.174  -2.874   5.380
  420    HG   LEU  54           HG       LEU  54  -3.447  -0.649   3.425
  421   HD11  LEU  54          1HD1      LEU  54  -5.503  -0.789   5.668
  422   HD12  LEU  54          2HD1      LEU  54  -5.110   0.658   4.722
  423   HD13  LEU  54          3HD1      LEU  54  -5.839  -0.746   3.924
  424   HD21  LEU  54          3HD2      LEU  54  -3.031  -0.722   6.446
  425   HD22  LEU  54          1HD2      LEU  54  -1.747  -0.735   5.218
  426   HD23  LEU  54          2HD2      LEU  54  -2.768   0.685   5.385
  427    H    ALA  55           H        ALA  55  -3.140  -5.014   2.238
  428    HA   ALA  55           HA       ALA  55  -2.068  -7.291   3.701
  429    HB1  ALA  55           3HB      ALA  55  -4.408  -7.177   4.596
  430    HB2  ALA  55           1HB      ALA  55  -5.014  -7.283   2.924
  431    HB3  ALA  55           2HB      ALA  55  -4.119  -8.635   3.637
  432    H    ILE  56           H        ILE  56  -1.956  -9.213   2.353
  433    HA   ILE  56           HA       ILE  56  -2.606  -8.925  -0.522
  434    HB   ILE  56           HB       ILE  56   0.093  -9.850   0.567
  435   HG12  ILE  56          2HG1      ILE  56  -0.554  -7.620  -1.410
  436   HG13  ILE  56          3HG1      ILE  56  -0.250  -7.352   0.306
  437   HG21  ILE  56          1HG2      ILE  56  -0.654 -11.345  -1.255
  438   HG22  ILE  56          2HG2      ILE  56  -1.037  -9.951  -2.279
  439   HG23  ILE  56          3HG2      ILE  56   0.644 -10.336  -1.843
  440   HD11  ILE  56          3HD1      ILE  56   2.020  -8.215   0.112
  441   HD12  ILE  56          1HD1      ILE  56   1.789  -8.516  -1.621
  442   HD13  ILE  56          2HD1      ILE  56   1.710  -6.868  -1.011
  443    H    ASN  57           H        ASN  57  -3.500 -10.811  -1.238
  444    HA   ASN  57           HA       ASN  57  -4.681 -12.726  -1.116
  445    HB2  ASN  57           2HB      ASN  57  -2.118 -13.795   0.109
  446    HB3  ASN  57           3HB      ASN  57  -3.374 -14.762  -0.655
  447   HD21  ASN  57          2HD2      ASN  57  -0.588 -14.693  -1.435
  448   HD22  ASN  57          1HD2      ASN  57  -0.531 -14.158  -3.084
  449    H    GLY  58           H        GLY  58  -5.041 -10.959   1.179
  450    HA2  GLY  58           2HA      GLY  58  -6.518 -11.042   2.957
  451    HA3  GLY  58           3HA      GLY  58  -6.418 -12.805   2.984
  452    H    MET  59           H        MET  59  -3.219 -11.996   2.981
  453    HA   MET  59           HA       MET  59  -2.980 -12.183   5.919
  454    HB2  MET  59           2HB      MET  59  -0.911 -12.258   3.673
  455    HB3  MET  59           3HB      MET  59  -0.546 -12.391   5.391
  456    HG2  MET  59           2HG      MET  59  -2.305 -14.317   3.827
  457    HG3  MET  59           3HG      MET  59  -0.612 -14.577   4.238
  458    HE1  MET  59           3HE      MET  59  -2.940 -16.665   4.828
  459    HE2  MET  59           1HE      MET  59  -1.228 -16.946   5.222
  460    HE3  MET  59           2HE      MET  59  -2.479 -17.211   6.455
  461    H    ASP  60           H        ASP  60  -3.060 -10.311   6.988
  462    HA   ASP  60           HA       ASP  60  -2.641  -7.668   6.110
  463    HB2  ASP  60           2HB      ASP  60  -3.659  -8.162   8.237
  464    HB3  ASP  60           3HB      ASP  60  -2.244  -9.059   8.781
  465    H    VAL  61           H        VAL  61  -0.775  -6.450   5.706
  466    HA   VAL  61           HA       VAL  61   1.793  -7.939   5.882
  467    HB   VAL  61           HB       VAL  61   2.760  -6.272   4.437
  468   HG11  VAL  61          1HG1      VAL  61   0.190  -7.421   3.269
  469   HG12  VAL  61          2HG1      VAL  61   1.624  -6.904   2.364
  470   HG13  VAL  61          3HG1      VAL  61   1.723  -8.288   3.460
  471   HG21  VAL  61          3HG2      VAL  61   1.496  -4.605   3.235
  472   HG22  VAL  61          1HG2      VAL  61   0.021  -5.013   4.132
  473   HG23  VAL  61          2HG2      VAL  61   1.404  -4.272   4.958
  474    H    ASN  62           H        ASN  62   3.382  -7.356   7.172
  475    HA   ASN  62           HA       ASN  62   2.978  -5.349   9.300
  476    HB2  ASN  62           2HB      ASN  62   3.909  -7.537   9.933
  477    HB3  ASN  62           3HB      ASN  62   5.180  -7.373   8.719
  478   HD21  ASN  62          2HD2      ASN  62   6.710  -7.674  10.537
  479   HD22  ASN  62          1HD2      ASN  62   7.104  -6.312  11.553
  480    H    GLY  63           H        GLY  63   2.788  -3.765   7.505
  481    HA2  GLY  63           2HA      GLY  63   3.502  -1.846   6.563
  482    HA3  GLY  63           3HA      GLY  63   5.068  -2.095   7.339
  483    H    ARG  64           H        ARG  64   6.260  -4.062   6.213
  484    HA   ARG  64           HA       ARG  64   6.252  -3.794   3.255
  485    HB2  ARG  64           2HB      ARG  64   8.681  -3.417   3.290
  486    HB3  ARG  64           3HB      ARG  64   7.820  -2.138   4.151
  487    HG2  ARG  64           2HG      ARG  64   8.386  -3.296   6.335
  488    HG3  ARG  64           3HG      ARG  64   9.341  -4.469   5.411
  489    HD2  ARG  64           2HD      ARG  64  10.776  -2.667   4.560
  490    HD3  ARG  64           3HD      ARG  64   9.779  -1.463   5.385
  491    HE   ARG  64           HE       ARG  64  11.812  -3.201   6.544
  492   HH11  ARG  64          1HH1      ARG  64   8.926  -1.204   7.362
  493   HH12  ARG  64          2HH1      ARG  64   9.618  -0.753   8.909
  494   HH21  ARG  64          1HH2      ARG  64  12.619  -2.410   8.633
  495   HH22  ARG  64          2HH2      ARG  64  11.576  -1.380   9.577
  496    H    TYR  65           H        TYR  65   6.181  -5.865   5.925
  497    HA   TYR  65           HA       TYR  65   7.362  -8.064   4.302
  498    HB2  TYR  65           2HB      TYR  65   7.059  -8.031   7.311
  499    HB3  TYR  65           3HB      TYR  65   7.942  -9.184   6.325
  500    HD1  TYR  65           1HD      TYR  65   9.846  -7.910   4.741
  501    HD2  TYR  65           2HD      TYR  65   8.373  -6.569   8.567
  502    HE1  TYR  65           1HE      TYR  65  11.913  -6.574   5.063
  503    HE2  TYR  65           2HE      TYR  65  10.470  -5.318   8.942
  504    HH   TYR  65           HH       TYR  65  12.620  -4.875   8.144
  505    H    THR  66           H        THR  66   6.054 -10.090   4.345
  506    HA   THR  66           HA       THR  66   3.205  -9.669   4.688
  507    HB   THR  66           HB       THR  66   3.069 -12.107   4.274
  508    HG1  THR  66           1HG      THR  66   4.931 -13.248   3.863
  509   HG21  THR  66          3HG2      THR  66   3.934 -12.112   1.998
  510   HG22  THR  66          1HG2      THR  66   3.171 -10.556   2.361
  511   HG23  THR  66          2HG2      THR  66   4.948 -10.692   2.330
  512    H    ALA  67           H        ALA  67   2.005 -11.412   6.056
  513    HA   ALA  67           HA       ALA  67   2.520 -11.170   8.829
  514    HB1  ALA  67           3HB      ALA  67   0.337 -11.832   7.858
  515    HB2  ALA  67           1HB      ALA  67   1.069 -13.336   7.237
  516    HB3  ALA  67           2HB      ALA  67   0.912 -13.074   8.992
  517    H    ASP  68           H        ASP  68   3.527 -13.601   6.429
  518    HA   ASP  68           HA       ASP  68   4.830 -15.375   8.307
  519    HB2  ASP  68           2HB      ASP  68   4.026 -16.156   6.122
  520    HB3  ASP  68           3HB      ASP  68   5.155 -15.077   5.297
  521    H    GLY  69           H        GLY  69   5.914 -12.648   6.263
  522    HA2  GLY  69           2HA      GLY  69   7.607 -11.238   7.367
  523    HA3  GLY  69           3HA      GLY  69   8.571 -12.687   7.655
  524    H    LYS  70           H        LYS  70   7.070 -12.824   4.569
  525    HA   LYS  70           HA       LYS  70   9.586 -12.625   3.130
  526    HB2  LYS  70           2HB      LYS  70   6.704 -12.528   2.100
  527    HB3  LYS  70           3HB      LYS  70   8.134 -12.843   1.130
  528    HG2  LYS  70           2HG      LYS  70   7.109 -14.662   3.363
  529    HG3  LYS  70           3HG      LYS  70   6.763 -14.870   1.654
  530    HD2  LYS  70           2HD      LYS  70   9.142 -15.178   1.149
  531    HD3  LYS  70           3HD      LYS  70   9.555 -14.938   2.867
  532    HE2  LYS  70           2HE      LYS  70   8.143 -16.891   3.468
  533    HE3  LYS  70           3HE      LYS  70   7.755 -17.140   1.761
  534    HZ1  LYS  70           3HZ      LYS  70  10.467 -17.334   2.941
  535    HZ2  LYS  70           1HZ      LYS  70   9.539 -18.590   2.482
  536    HZ3  LYS  70           2HZ      LYS  70  10.115 -17.561   1.359
  537    H    GLU  71           H        GLU  71  10.386 -10.757   2.020
  538    HA   GLU  71           HA       GLU  71   9.229  -8.175   2.667
  539    HB2  GLU  71           2HB      GLU  71  11.661  -8.532   2.212
  540    HB3  GLU  71           3HB      GLU  71  11.273  -8.907   0.522
  541    HG2  GLU  71           2HG      GLU  71  10.292  -6.650   0.237
  542    HG3  GLU  71           3HG      GLU  71  10.590  -6.287   1.939
  543    H    VAL  72           H        VAL  72   7.562  -7.222   1.646
  544    HA   VAL  72           HA       VAL  72   5.875  -8.731   0.025
  545    HB   VAL  72           HB       VAL  72   6.026  -5.771   0.641
  546   HG11  VAL  72          1HG1      VAL  72   4.019  -7.238  -1.084
  547   HG12  VAL  72          2HG1      VAL  72   3.574  -5.768  -0.186
  548   HG13  VAL  72          3HG1      VAL  72   4.846  -5.711  -1.416
  549   HG21  VAL  72          3HG2      VAL  72   4.144  -6.287   2.112
  550   HG22  VAL  72          1HG2      VAL  72   4.091  -7.963   1.524
  551   HG23  VAL  72          2HG2      VAL  72   5.469  -7.398   2.476
  552    H    LEU  73           H        LEU  73   8.376  -6.397  -1.065
  553    HA   LEU  73           HA       LEU  73   7.454  -6.285  -3.773
  554    HB2  LEU  73           2HB      LEU  73  10.300  -5.950  -2.736
  555    HB3  LEU  73           3HB      LEU  73   9.699  -5.446  -4.313
  556    HG   LEU  73           HG       LEU  73   8.854  -4.308  -1.614
  557   HD11  LEU  73          1HD1      LEU  73   9.985  -2.271  -2.356
  558   HD12  LEU  73          2HD1      LEU  73  11.109  -3.636  -2.352
  559   HD13  LEU  73          3HD1      LEU  73  10.437  -3.049  -3.890
  560   HD21  LEU  73          3HD2      LEU  73   6.923  -4.186  -3.117
  561   HD22  LEU  73          1HD2      LEU  73   7.627  -2.580  -2.923
  562   HD23  LEU  73          2HD2      LEU  73   7.937  -3.501  -4.410
  563    H    GLU  74           H        GLU  74   9.716  -8.521  -2.105
  564    HA   GLU  74           HA       GLU  74  10.345 -10.001  -4.535
  565    HB2  GLU  74           2HB      GLU  74  10.714 -10.704  -1.585
  566    HB3  GLU  74           3HB      GLU  74  11.305 -11.657  -2.952
  567    HG2  GLU  74           2HG      GLU  74  12.609  -9.625  -3.718
  568    HG3  GLU  74           3HG      GLU  74  12.156  -8.829  -2.209
  569    H    TYR  75           H        TYR  75   8.010 -10.295  -1.835
  570    HA   TYR  75           HA       TYR  75   7.014 -12.853  -2.428
  571    HB2  TYR  75           2HB      TYR  75   6.583 -11.419  -0.379
  572    HB3  TYR  75           3HB      TYR  75   5.445 -10.484  -1.336
  573    HD1  TYR  75           1HD      TYR  75   6.185 -14.083  -0.523
  574    HD2  TYR  75           2HD      TYR  75   3.161 -11.049  -1.073
  575    HE1  TYR  75           1HE      TYR  75   4.466 -15.668   0.258
  576    HE2  TYR  75           2HE      TYR  75   1.435 -12.618  -0.279
  577    HH   TYR  75           HH       TYR  75   1.000 -14.750   0.590
  578    H    LEU  76           H        LEU  76   5.983  -9.649  -3.685
  579    HA   LEU  76           HA       LEU  76   3.926 -10.778  -5.420
  580    HB2  LEU  76           2HB      LEU  76   5.278  -8.046  -5.278
  581    HB3  LEU  76           3HB      LEU  76   3.973  -8.434  -6.394
  582    HG   LEU  76           HG       LEU  76   3.735  -8.539  -3.352
  583   HD11  LEU  76          1HD1      LEU  76   4.009  -6.245  -4.210
  584   HD12  LEU  76          2HD1      LEU  76   2.665  -6.501  -5.346
  585   HD13  LEU  76          3HD1      LEU  76   2.373  -6.511  -3.592
  586   HD21  LEU  76          3HD2      LEU  76   2.174 -10.107  -4.253
  587   HD22  LEU  76          1HD2      LEU  76   1.254  -8.648  -3.881
  588   HD23  LEU  76          2HD2      LEU  76   1.706  -8.995  -5.558
  589    H    GLY  77           H        GLY  77   7.354  -9.772  -5.797
  590    HA2  GLY  77           2HA      GLY  77   7.501  -9.977  -8.610
  591    HA3  GLY  77           3HA      GLY  77   8.844 -10.154  -7.468
  592    H    ASN  78           H        ASN  78   7.751 -12.495  -6.092
  593    HA   ASN  78           HA       ASN  78   8.837 -14.615  -7.572
  594    HB2  ASN  78           2HB      ASN  78   8.572 -14.639  -5.143
  595    HB3  ASN  78           3HB      ASN  78   6.813 -14.613  -5.300
  596   HD21  ASN  78          2HD2      ASN  78   7.371 -16.588  -3.786
  597   HD22  ASN  78          1HD2      ASN  78   7.503 -18.120  -4.606
  598    HA   PRO  79           HA       PRO  79   5.266 -15.022 -10.281
  599    HB2  PRO  79           2HB      PRO  79   6.138 -16.835 -12.106
  600    HB3  PRO  79           3HB      PRO  79   6.677 -15.124 -12.043
  601    HG2  PRO  79           2HG      PRO  79   8.062 -17.564 -10.855
  602    HG3  PRO  79           3HG      PRO  79   8.785 -16.284 -11.881
  603    HD2  PRO  79           2HD      PRO  79   8.961 -16.238  -9.154
  604    HD3  PRO  79           3HD      PRO  79   8.787 -14.734 -10.107
  605    H    ALA  80           H        ALA  80   6.484 -17.563  -8.233
  606    HA   ALA  80           HA       ALA  80   4.348 -19.446  -8.719
  607    HB1  ALA  80           3HB      ALA  80   6.435 -19.957  -7.413
  608    HB2  ALA  80           1HB      ALA  80   5.845 -18.870  -6.127
  609    HB3  ALA  80           2HB      ALA  80   4.943 -20.340  -6.530
  610    H    ASN  81           H        ASN  81   4.408 -16.260  -7.461
  611    HA   ASN  81           HA       ASN  81   1.671 -16.408  -6.337
  612    HB2  ASN  81           2HB      ASN  81   3.394 -16.467  -4.524
  613    HB3  ASN  81           3HB      ASN  81   4.129 -15.013  -5.199
  614   HD21  ASN  81          2HD2      ASN  81   3.731 -13.408  -3.802
  615   HD22  ASN  81          1HD2      ASN  81   2.219 -13.109  -2.959
  616    H    TYR  82           H        TYR  82   2.601 -15.718  -9.044
  617    HA   TYR  82           HA       TYR  82   2.585 -12.849  -9.337
  618    HB2  TYR  82           2HB      TYR  82   2.475 -15.219 -11.125
  619    HB3  TYR  82           3HB      TYR  82   1.489 -13.889 -11.669
  620    HD1  TYR  82           2HD      TYR  82   4.594 -12.805  -9.940
  621    HD2  TYR  82           1HD      TYR  82   2.829 -14.008 -13.705
  622    HE1  TYR  82           2HE      TYR  82   6.431 -11.723 -11.145
  623    HE2  TYR  82           1HE      TYR  82   4.699 -12.942 -14.912
  624    HH   TYR  82           HH       TYR  82   7.376 -11.237 -13.224
  625    HA   PRO  83           HA       PRO  83  -2.094 -13.054  -9.883
  626    HB2  PRO  83           2HB      PRO  83  -3.572 -15.284  -9.291
  627    HB3  PRO  83           3HB      PRO  83  -2.873 -14.966 -10.907
  628    HG2  PRO  83           2HG      PRO  83  -1.764 -16.731  -8.710
  629    HG3  PRO  83           3HG      PRO  83  -1.906 -17.090 -10.458
  630    HD2  PRO  83           2HD      PRO  83   0.414 -16.226  -9.316
  631    HD3  PRO  83           3HD      PRO  83  -0.044 -15.758 -10.980
  632    H    VAL  84           H        VAL  84  -2.950 -11.902  -8.199
  633    HA   VAL  84           HA       VAL  84  -2.897 -12.969  -5.445
  634    HB   VAL  84           HB       VAL  84  -1.777 -10.861  -4.659
  635   HG11  VAL  84          1HG1      VAL  84   0.017 -12.428  -6.508
  636   HG12  VAL  84          2HG1      VAL  84   0.481 -11.529  -5.058
  637   HG13  VAL  84          3HG1      VAL  84  -0.516 -12.984  -4.908
  638   HG21  VAL  84          3HG2      VAL  84  -1.062 -10.411  -7.594
  639   HG22  VAL  84          1HG2      VAL  84  -2.146  -9.407  -6.602
  640   HG23  VAL  84          2HG2      VAL  84  -0.428  -9.516  -6.211
  641    H    SER  85           H        SER  85  -3.875 -11.385  -3.932
  642    HA   SER  85           HA       SER  85  -5.805  -9.470  -5.139
  643    HB2  SER  85           2HB      SER  85  -6.296 -11.221  -2.689
  644    HB3  SER  85           3HB      SER  85  -7.418 -10.048  -3.403
  645    HG   SER  85           HG       SER  85  -7.864 -12.234  -4.003
  646    H    ILE  86           H        ILE  86  -5.630  -7.415  -4.067
  647    HA   ILE  86           HA       ILE  86  -3.801  -7.325  -1.721
  648    HB   ILE  86           HB       ILE  86  -3.645  -5.487  -4.145
  649   HG12  ILE  86          2HG1      ILE  86  -1.876  -7.835  -3.329
  650   HG13  ILE  86          3HG1      ILE  86  -2.802  -7.664  -4.816
  651   HG21  ILE  86          1HG2      ILE  86  -3.003  -4.434  -1.959
  652   HG22  ILE  86          2HG2      ILE  86  -1.819  -5.726  -1.714
  653   HG23  ILE  86          3HG2      ILE  86  -1.642  -4.568  -3.050
  654   HD11  ILE  86          3HD1      ILE  86  -0.305  -6.129  -4.051
  655   HD12  ILE  86          1HD1      ILE  86  -0.523  -7.294  -5.358
  656   HD13  ILE  86          2HD1      ILE  86  -1.335  -5.720  -5.453
  657    H    ARG  87           H        ARG  87  -4.265  -5.746  -0.278
  658    HA   ARG  87           HA       ARG  87  -6.685  -4.052  -0.705
  659    HB2  ARG  87           2HB      ARG  87  -5.832  -5.319   1.940
  660    HB3  ARG  87           3HB      ARG  87  -7.280  -4.364   1.629
  661    HG2  ARG  87           2HG      ARG  87  -8.147  -6.196   0.149
  662    HG3  ARG  87           3HG      ARG  87  -6.690  -7.136   0.481
  663    HD2  ARG  87           2HD      ARG  87  -8.393  -7.997   1.891
  664    HD3  ARG  87           3HD      ARG  87  -7.253  -7.130   2.917
  665    HE   ARG  87           HE       ARG  87  -9.868  -5.988   1.964
  666   HH11  ARG  87          1HH1      ARG  87  -7.662  -6.521   4.728
  667   HH12  ARG  87          2HH1      ARG  87  -8.693  -5.669   5.825
  668   HH21  ARG  87          1HH2      ARG  87 -11.111  -4.961   3.307
  669   HH22  ARG  87          2HH2      ARG  87 -10.739  -4.719   5.010
  670    H    PHE  88           H        PHE  88  -6.168  -1.904  -0.294
  671    HA   PHE  88           HA       PHE  88  -3.668  -1.256   1.133
  672    HB2  PHE  88           2HB      PHE  88  -3.153   0.386  -0.779
  673    HB3  PHE  88           3HB      PHE  88  -2.750  -1.301  -0.987
  674    HD1  PHE  88           2HD      PHE  88  -5.461   1.166  -1.810
  675    HD2  PHE  88           1HD      PHE  88  -3.322  -2.400  -2.995
  676    HE1  PHE  88           2HE      PHE  88  -6.694   1.131  -3.964
  677    HE2  PHE  88           1HE      PHE  88  -4.564  -2.427  -5.126
  678    HZ   PHE  88           HZ       PHE  88  -6.256  -0.673  -5.622
  679    H    GLY  89           H        GLY  89  -3.554   1.244   1.329
  680    HA2  GLY  89           2HA      GLY  89  -6.042   2.706   1.421
  681    HA3  GLY  89           3HA      GLY  89  -5.576   2.078   3.003
  682    H    ARG  90           H        ARG  90  -5.520   4.640   3.216
  683    HA   ARG  90           HA       ARG  90  -3.026   5.867   2.292
  684    HB2  ARG  90           2HB      ARG  90  -4.981   6.675   4.504
  685    HB3  ARG  90           3HB      ARG  90  -3.527   7.559   4.089
  686    HG2  ARG  90           2HG      ARG  90  -5.240   8.732   3.023
  687    HG3  ARG  90           3HG      ARG  90  -4.401   7.862   1.748
  688    HD2  ARG  90           2HD      ARG  90  -6.814   7.861   1.407
  689    HD3  ARG  90           3HD      ARG  90  -6.244   6.214   1.645
  690    HE   ARG  90           HE       ARG  90  -7.043   7.298   4.173
  691   HH11  ARG  90          1HH1      ARG  90  -8.650   6.383   1.093
  692   HH12  ARG  90          2HH1      ARG  90 -10.137   5.971   1.927
  693   HH21  ARG  90          1HH2      ARG  90  -9.025   6.890   5.114
  694   HH22  ARG  90          2HH2      ARG  90 -10.360   6.265   4.159
  695    HA   PRO  91           HA       PRO  91  -0.470   3.847   5.372
  696    HB2  PRO  91           2HB      PRO  91   1.460   5.817   5.861
  697    HB3  PRO  91           3HB      PRO  91   1.445   4.748   4.434
  698    HG2  PRO  91           2HG      PRO  91   0.407   7.573   4.676
  699    HG3  PRO  91           3HG      PRO  91   1.386   6.854   3.358
  700    HD2  PRO  91           2HD      PRO  91  -1.299   7.159   3.137
  701    HD3  PRO  91           3HD      PRO  91  -0.483   5.711   2.474
  702    H    ARG  92           H        ARG  92  -1.997   6.916   5.981
  703    HA   ARG  92           HA       ARG  92  -2.342   6.225   8.847
  704    HB2  ARG  92           2HB      ARG  92  -0.832   8.151   8.743
  705    HB3  ARG  92           3HB      ARG  92  -1.844   8.954   7.552
  706    HG2  ARG  92           2HG      ARG  92  -2.010   9.957   9.771
  707    HG3  ARG  92           3HG      ARG  92  -3.571   9.402   9.191
  708    HD2  ARG  92           2HD      ARG  92  -1.983   7.509  10.922
  709    HD3  ARG  92           3HD      ARG  92  -2.624   8.958  11.689
  710    HE   ARG  92           HE       ARG  92  -4.872   8.359  10.874
  711   HH11  ARG  92          1HH1      ARG  92  -2.543   5.704  11.465
  712   HH12  ARG  92          2HH1      ARG  92  -3.801   4.544  11.779
  713   HH21  ARG  92          1HH2      ARG  92  -6.428   6.878  11.366
  714   HH22  ARG  92          2HH2      ARG  92  -6.032   5.196  11.692
  715    H    LEU  93           H        LEU  93  -4.262   5.163   8.364
  716    HA   LEU  93           HA       LEU  93  -5.828   5.397   6.206
  717    HB2  LEU  93           2HB      LEU  93  -6.023   3.637   7.908
  718    HB3  LEU  93           3HB      LEU  93  -6.798   4.772   9.014
  719    HG   LEU  93           HG       LEU  93  -8.724   4.991   7.439
  720   HD11  LEU  93          1HD1      LEU  93  -8.970   3.347   5.596
  721   HD12  LEU  93          2HD1      LEU  93  -7.644   4.465   5.283
  722   HD13  LEU  93          3HD1      LEU  93  -7.293   2.813   5.840
  723   HD21  LEU  93          3HD2      LEU  93  -8.036   2.129   8.216
  724   HD22  LEU  93          1HD2      LEU  93  -8.778   3.349   9.268
  725   HD23  LEU  93          2HD2      LEU  93  -9.664   2.758   7.857
  726    H    THR  94           H        THR  94  -6.350   7.379   9.121
  727    HA   THR  94           HA       THR  94  -8.783   8.531   8.094
  728    HB   THR  94           HB       THR  94  -8.489   9.869  10.316
  729    HG1  THR  94           1HG      THR  94  -6.865   9.341  11.548
  730   HG21  THR  94          3HG2      THR  94  -8.619   6.814  10.349
  731   HG22  THR  94          1HG2      THR  94  -9.147   7.898  11.655
  732   HG23  THR  94          2HG2      THR  94  -9.983   7.922  10.095
  733    H    SER  95           H        SER  95  -5.695   9.257   7.092
  734    HA   SER  95           HA       SER  95  -5.729  12.125   7.250
  735    HB2  SER  95           2HB      SER  95  -3.927  11.995   5.555
  736    HB3  SER  95           3HB      SER  95  -3.645  10.964   6.963
  737    HG   SER  95           HG       SER  95  -4.129   9.182   5.800
  738    H    ASN  96           H        ASN  96  -7.792  10.106   5.486
  739    HA   ASN  96           HA       ASN  96  -8.680  12.325   3.791
  740    HB2  ASN  96           2HB      ASN  96  -7.171  10.735   2.410
  741    HB3  ASN  96           3HB      ASN  96  -8.414   9.507   2.678
  742   HD21  ASN  96          2HD2      ASN  96 -10.659  11.578   2.462
  743   HD22  ASN  96          1HD2      ASN  96 -10.743  11.916   0.737
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1 -22.937 -16.523   0.354
    2    H2   MET   1           H2       MET   1 -21.855 -16.157   1.528
    3    H3   MET   1           H3       MET   1 -23.341 -16.701   1.935
    4    HA   MET   1           HA       MET   1 -22.746 -14.150   0.610
    5    HB2  MET   1           2HB      MET   1 -24.892 -15.017  -0.159
    6    HB3  MET   1           3HB      MET   1 -25.425 -15.308   1.499
    7    HG2  MET   1           2HG      MET   1 -26.416 -13.283   0.532
    8    HG3  MET   1           3HG      MET   1 -25.470 -12.927   1.970
    9    HE1  MET   1           3HE      MET   1 -26.588 -10.801  -0.042
   10    HE2  MET   1           1HE      MET   1 -25.588 -10.301   1.342
   11    HE3  MET   1           2HE      MET   1 -25.218  -9.699  -0.289
   12    H    GLY   2           H        GLY   2 -22.029 -12.609   1.986
   13    HA2  GLY   2           2HA      GLY   2 -23.080 -12.488   4.754
   14    HA3  GLY   2           3HA      GLY   2 -21.333 -12.665   4.532
   15    H    HIS   3           H        HIS   3 -22.651 -10.812   1.951
   16    HA   HIS   3           HA       HIS   3 -21.192  -8.513   2.791
   17    HB2  HIS   3           2HB      HIS   3 -23.231  -8.751   0.549
   18    HB3  HIS   3           3HB      HIS   3 -21.983  -7.520   0.706
   19    HD1  HIS   3           1HD      HIS   3 -19.379  -9.201   1.143
   20    HD2  HIS   3           2HD      HIS   3 -22.515 -10.207  -1.485
   21    HE1  HIS   3           1HE      HIS   3 -18.380 -10.762  -0.598
   22    H    HIS   4           H        HIS   4 -24.219  -9.479   3.894
   23    HA   HIS   4           HA       HIS   4 -25.624  -7.004   4.104
   24    HB2  HIS   4           2HB      HIS   4 -25.609  -9.376   6.018
   25    HB3  HIS   4           3HB      HIS   4 -26.836  -8.119   5.922
   26    HD1  HIS   4           1HD      HIS   4 -27.934  -8.057   3.142
   27    HD2  HIS   4           2HD      HIS   4 -26.388 -11.568   4.882
   28    HE1  HIS   4           1HE      HIS   4 -28.933 -10.002   1.842
   29    H    HIS   5           H        HIS   5 -22.824  -8.314   5.871
   30    HA   HIS   5           HA       HIS   5 -23.058  -6.651   8.197
   31    HB2  HIS   5           2HB      HIS   5 -20.615  -7.950   6.917
   32    HB3  HIS   5           3HB      HIS   5 -20.651  -7.199   8.511
   33    HD1  HIS   5           1HD      HIS   5 -21.726 -10.389   6.736
   34    HD2  HIS   5           2HD      HIS   5 -22.010  -8.508  10.492
   35    HE1  HIS   5           1HE      HIS   5 -22.517 -12.181   8.381
   36    H    HIS   6           H        HIS   6 -22.290  -4.625   8.616
   37    HA   HIS   6           HA       HIS   6 -20.673  -3.108   6.690
   38    HB2  HIS   6           2HB      HIS   6 -23.484  -2.324   7.604
   39    HB3  HIS   6           3HB      HIS   6 -22.321  -1.174   6.965
   40    HD1  HIS   6           1HD      HIS   6 -24.411  -4.189   5.708
   41    HD2  HIS   6           2HD      HIS   6 -21.981  -1.020   4.357
   42    HE1  HIS   6           1HE      HIS   6 -24.700  -4.089   3.185
   43    H    HIS   7           H        HIS   7 -19.959  -1.042   7.789
   44    HA   HIS   7           HA       HIS   7 -19.036  -1.488  10.442
   45    HB2  HIS   7           2HB      HIS   7 -19.336   1.117   8.888
   46    HB3  HIS   7           3HB      HIS   7 -18.421   0.923  10.379
   47    HD1  HIS   7           1HD      HIS   7 -16.326  -1.090  10.085
   48    HD2  HIS   7           2HD      HIS   7 -17.900   0.909   6.726
   49    HE1  HIS   7           1HE      HIS   7 -14.614  -1.361   8.221
   50    H    HIS   8           H        HIS   8 -19.790  -0.813  12.412
   51    HA   HIS   8           HA       HIS   8 -22.167   0.828  12.736
   52    HB2  HIS   8           2HB      HIS   8 -23.496  -0.912  13.888
   53    HB3  HIS   8           3HB      HIS   8 -23.274  -1.267  12.183
   54    HD1  HIS   8           1HD      HIS   8 -21.540  -3.361  11.611
   55    HD2  HIS   8           2HD      HIS   8 -22.569  -2.692  15.647
   56    HE1  HIS   8           1HE      HIS   8 -20.847  -5.452  12.889
   57    H    LEU   9           H        LEU   9 -19.694  -1.280  14.130
   58    HA   LEU   9           HA       LEU   9 -19.864  -0.478  16.836
   59    HB2  LEU   9           2HB      LEU   9 -18.537  -2.399  15.970
   60    HB3  LEU   9           3HB      LEU   9 -17.445  -1.274  15.157
   61    HG   LEU   9           HG       LEU   9 -16.741  -0.369  17.365
   62   HD11  LEU   9          1HD1      LEU   9 -18.485  -2.589  18.525
   63   HD12  LEU   9          2HD1      LEU   9 -17.308  -1.618  19.436
   64   HD13  LEU   9          3HD1      LEU   9 -18.733  -0.845  18.746
   65   HD21  LEU   9          3HD2      LEU   9 -15.478  -2.183  16.280
   66   HD22  LEU   9          1HD2      LEU   9 -15.420  -2.327  18.043
   67   HD23  LEU   9          2HD2      LEU   9 -16.488  -3.392  17.102
   68    H    ASP  10           H        ASP  10 -18.966   1.270  17.967
   69    HA   ASP  10           HA       ASP  10 -18.700   3.730  16.577
   70    HB2  ASP  10           2HB      ASP  10 -19.543   3.555  18.868
   71    HB3  ASP  10           3HB      ASP  10 -17.980   2.953  19.426
   72    H    SER  11           H        SER  11 -16.276   1.426  17.691
   73    HA   SER  11           HA       SER  11 -13.974   3.003  17.694
   74    HB2  SER  11           2HB      SER  11 -14.155   0.082  16.865
   75    HB3  SER  11           3HB      SER  11 -12.794   0.906  17.646
   76    HG   SER  11           HG       SER  11 -13.976  -0.261  19.179
   77    H    TYR  12           H        TYR  12 -12.194   3.114  16.175
   78    HA   TYR  12           HA       TYR  12 -12.931   3.616  13.441
   79    HB2  TYR  12           2HB      TYR  12 -10.644   4.127  13.080
   80    HB3  TYR  12           3HB      TYR  12 -11.081   4.781  14.640
   81    HD1  TYR  12           1HD      TYR  12 -10.161   3.757  16.748
   82    HD2  TYR  12           2HD      TYR  12  -8.980   2.369  12.831
   83    HE1  TYR  12           1HE      TYR  12  -8.235   2.571  17.750
   84    HE2  TYR  12           2HE      TYR  12  -7.052   1.190  13.822
   85    HH   TYR  12           HH       TYR  12  -5.899   0.669  15.783
   86    H    ALA  13           H        ALA  13 -11.624   2.534  11.624
   87    HA   ALA  13           HA       ALA  13 -11.210  -0.360  11.939
   88    HB1  ALA  13           3HB      ALA  13 -13.175   0.904   9.955
   89    HB2  ALA  13           1HB      ALA  13 -12.715  -0.808   9.996
   90    HB3  ALA  13           2HB      ALA  13 -13.617  -0.109  11.348
   91    HA   PRO  14           HA       PRO  14  -7.899   0.342   9.032
   92    HB2  PRO  14           2HB      PRO  14  -9.284  -1.646   7.209
   93    HB3  PRO  14           3HB      PRO  14  -7.541  -1.521   7.603
   94    HG2  PRO  14           2HG      PRO  14  -9.074  -3.359   8.864
   95    HG3  PRO  14           3HG      PRO  14  -7.919  -2.376   9.822
   96    HD2  PRO  14           2HD      PRO  14 -10.897  -2.009   9.511
   97    HD3  PRO  14           3HD      PRO  14  -9.890  -1.878  10.984
   98    H    ARG  15           H        ARG  15  -7.399   1.505   7.092
   99    HA   ARG  15           HA       ARG  15  -9.746   2.954   5.939
  100    HB2  ARG  15           2HB      ARG  15  -6.890   3.909   6.333
  101    HB3  ARG  15           3HB      ARG  15  -8.233   4.859   5.705
  102    HG2  ARG  15           2HG      ARG  15  -8.058   3.795   8.562
  103    HG3  ARG  15           3HG      ARG  15  -7.588   5.401   8.031
  104    HD2  ARG  15           2HD      ARG  15  -9.739   5.640   8.984
  105    HD3  ARG  15           3HD      ARG  15  -9.939   5.797   7.231
  106    HE   ARG  15           HE       ARG  15 -10.354   3.140   8.492
  107   HH11  ARG  15          1HH2      ARG  15 -12.042   6.078   7.465
  108   HH12  ARG  15          2HH2      ARG  15 -13.490   5.256   7.012
  109   HH21  ARG  15          1HH1      ARG  15 -12.098   2.028   7.586
  110   HH22  ARG  15          2HH1      ARG  15 -13.574   2.867   7.213
  111    H    ALA  16           H        ALA  16  -9.167   0.534   4.848
  112    HA   ALA  16           HA       ALA  16  -7.402   0.596   2.599
  113    HB1  ALA  16           3HB      ALA  16  -8.321  -1.503   3.541
  114    HB2  ALA  16           1HB      ALA  16  -9.955  -1.011   3.034
  115    HB3  ALA  16           2HB      ALA  16  -8.704  -1.337   1.818
  116    H    GLU  17           H        GLU  17  -7.910   0.887   0.406
  117    HA   GLU  17           HA       GLU  17 -10.384   2.410  -0.271
  118    HB2  GLU  17           2HB      GLU  17  -7.529   2.966  -1.182
  119    HB3  GLU  17           3HB      GLU  17  -8.954   3.813  -1.762
  120    HG2  GLU  17           2HG      GLU  17  -7.873   3.870   1.088
  121    HG3  GLU  17           3HG      GLU  17  -7.685   5.122  -0.122
  122    H    ALA  18           H        ALA  18  -8.552  -0.381  -0.825
  123    HA   ALA  18           HA       ALA  18 -10.044  -0.955  -3.268
  124    HB1  ALA  18           3HB      ALA  18  -8.002  -1.707  -4.476
  125    HB2  ALA  18           1HB      ALA  18  -7.934   0.035  -4.151
  126    HB3  ALA  18           2HB      ALA  18  -6.992  -1.092  -3.151
  127    H    GLU  19           H        GLU  19 -10.168  -3.165  -3.642
  128    HA   GLU  19           HA       GLU  19  -8.674  -5.168  -2.188
  129    HB2  GLU  19           2HB      GLU  19 -10.435  -4.910  -0.535
  130    HB3  GLU  19           3HB      GLU  19 -11.672  -4.770  -1.773
  131    HG2  GLU  19           2HG      GLU  19 -11.794  -6.928  -0.660
  132    HG3  GLU  19           3HG      GLU  19 -11.450  -7.131  -2.366
  133    H    LYS  20           H        LYS  20  -7.956  -6.005  -4.156
  134    HA   LYS  20           HA       LYS  20  -9.918  -6.833  -6.164
  135    HB2  LYS  20           2HB      LYS  20  -9.394  -4.298  -6.470
  136    HB3  LYS  20           3HB      LYS  20  -7.784  -4.815  -6.964
  137    HG2  LYS  20           2HG      LYS  20  -8.852  -6.188  -8.791
  138    HG3  LYS  20           3HG      LYS  20 -10.427  -5.579  -8.295
  139    HD2  LYS  20           2HD      LYS  20  -8.071  -3.906  -9.283
  140    HD3  LYS  20           3HD      LYS  20  -9.440  -4.392 -10.271
  141    HE2  LYS  20           2HE      LYS  20  -9.606  -2.590  -7.808
  142    HE3  LYS  20           3HE      LYS  20  -9.556  -2.031  -9.478
  143    HZ1  LYS  20           3HZ      LYS  20 -11.815  -2.108  -8.686
  144    HZ2  LYS  20           1HZ      LYS  20 -11.644  -3.196  -9.881
  145    HZ3  LYS  20           2HZ      LYS  20 -11.722  -3.693  -8.323
  146    H    THR  21           H        THR  21  -8.929  -8.159  -7.823
  147    HA   THR  21           HA       THR  21  -6.529  -9.576  -7.059
  148    HB   THR  21           HB       THR  21  -7.084 -10.586  -9.437
  149    HG1  THR  21           1HG      THR  21  -9.185 -10.284 -10.063
  150   HG21  THR  21          3HG2      THR  21  -7.391 -11.789  -7.319
  151   HG22  THR  21          1HG2      THR  21  -8.933 -10.955  -7.031
  152   HG23  THR  21          2HG2      THR  21  -8.763 -12.088  -8.394
  153    H    PHE  22           H        PHE  22  -4.555  -9.502  -8.210
  154    HA   PHE  22           HA       PHE  22  -4.216  -7.559 -10.393
  155    HB2  PHE  22           2HB      PHE  22  -2.518  -7.539  -7.860
  156    HB3  PHE  22           3HB      PHE  22  -2.147  -6.663  -9.331
  157    HD1  PHE  22           2HD      PHE  22  -3.649  -4.777 -10.106
  158    HD2  PHE  22           1HD      PHE  22  -4.112  -6.655  -6.255
  159    HE1  PHE  22           2HE      PHE  22  -4.986  -2.842  -9.326
  160    HE2  PHE  22           1HE      PHE  22  -5.444  -4.715  -5.472
  161    HZ   PHE  22           HZ       PHE  22  -5.893  -2.808  -7.011
  162    H    SER  23           H        SER  23  -2.086  -7.899 -11.422
  163    HA   SER  23           HA       SER  23  -0.671 -10.410 -11.057
  164    HB2  SER  23           2HB      SER  23  -2.072  -9.733 -13.684
  165    HB3  SER  23           3HB      SER  23  -0.969 -11.088 -13.400
  166    HG   SER  23           HG       SER  23  -3.193 -11.690 -13.320
  167    H    TYR  24           H        TYR  24   1.161 -10.304 -12.980
  168    HA   TYR  24           HA       TYR  24   1.900  -7.480 -13.453
  169    HB2  TYR  24           2HB      TYR  24   3.720  -9.594 -12.278
  170    HB3  TYR  24           3HB      TYR  24   4.188  -7.949 -12.682
  171    HD1  TYR  24           2HD      TYR  24   2.806  -6.029 -11.470
  172    HD2  TYR  24           1HD      TYR  24   3.060 -10.106 -10.084
  173    HE1  TYR  24           2HE      TYR  24   2.026  -5.306  -9.240
  174    HE2  TYR  24           1HE      TYR  24   2.231  -9.397  -7.841
  175    HH   TYR  24           HH       TYR  24   1.427  -5.975  -7.101
  176    HA   PRO  25           HA       PRO  25   3.815  -6.512 -14.537
  177    HB2  PRO  25           2HB      PRO  25   4.137  -5.394 -17.004
  178    HB3  PRO  25           3HB      PRO  25   5.375  -6.442 -16.248
  179    HG2  PRO  25           2HG      PRO  25   3.271  -7.220 -18.291
  180    HG3  PRO  25           3HG      PRO  25   5.024  -7.598 -18.305
  181    HD2  PRO  25           2HD      PRO  25   3.147  -9.369 -17.387
  182    HD3  PRO  25           3HD      PRO  25   4.771  -9.258 -16.650
  183    H    LEU  26           H        LEU  26   2.604  -4.503 -14.624
  184    HA   LEU  26           HA       LEU  26   0.059  -4.307 -15.980
  185    HB2  LEU  26           2HB      LEU  26  -0.390  -5.958 -14.152
  186    HB3  LEU  26           3HB      LEU  26   0.180  -4.793 -12.962
  187    HG   LEU  26           HG       LEU  26  -1.766  -3.360 -13.404
  188   HD11  LEU  26          1HD1      LEU  26  -2.141  -3.785 -15.823
  189   HD12  LEU  26          2HD1      LEU  26  -2.576  -5.467 -15.464
  190   HD13  LEU  26          3HD1      LEU  26  -3.601  -4.131 -14.897
  191   HD21  LEU  26          3HD2      LEU  26  -3.501  -4.833 -12.540
  192   HD22  LEU  26          1HD2      LEU  26  -2.576  -6.266 -13.042
  193   HD23  LEU  26          2HD2      LEU  26  -1.942  -5.199 -11.770
  194    H    ASP  27           H        ASP  27  -1.046  -2.215 -15.111
  195    HA   ASP  27           HA       ASP  27   0.693   0.006 -15.028
  196    HB2  ASP  27           2HB      ASP  27  -1.677   0.095 -15.681
  197    HB3  ASP  27           3HB      ASP  27  -2.166  -0.303 -14.031
  198    H    LEU  28           H        LEU  28  -0.613  -1.993 -12.390
  199    HA   LEU  28           HA       LEU  28   0.086  -0.290 -10.209
  200    HB2  LEU  28           2HB      LEU  28  -1.471  -2.182  -9.976
  201    HB3  LEU  28           3HB      LEU  28  -0.187  -3.322 -10.393
  202    HG   LEU  28           HG       LEU  28   1.050  -2.716  -8.327
  203   HD11  LEU  28          1HD1      LEU  28  -0.128  -1.374  -6.564
  204   HD12  LEU  28          2HD1      LEU  28   0.344  -0.410  -7.960
  205   HD13  LEU  28          3HD1      LEU  28  -1.349  -0.914  -7.765
  206   HD21  LEU  28          3HD2      LEU  28  -0.585  -4.581  -8.319
  207   HD22  LEU  28          1HD2      LEU  28  -0.449  -3.794  -6.738
  208   HD23  LEU  28          2HD2      LEU  28  -1.849  -3.456  -7.776
  209    H    LEU  29           H        LEU  29   2.041   0.196  -9.376
  210    HA   LEU  29           HA       LEU  29   4.278  -1.719  -9.507
  211    HB2  LEU  29           2HB      LEU  29   4.561  -0.114 -11.431
  212    HB3  LEU  29           3HB      LEU  29   4.469   1.223 -10.284
  213    HG   LEU  29           HG       LEU  29   6.561   0.455  -9.192
  214   HD11  LEU  29          1HD1      LEU  29   6.630  -1.626 -11.427
  215   HD12  LEU  29          2HD1      LEU  29   7.975  -1.245 -10.330
  216   HD13  LEU  29          3HD1      LEU  29   6.501  -1.967  -9.689
  217   HD21  LEU  29          3HD2      LEU  29   8.070   1.113 -11.011
  218   HD22  LEU  29          1HD2      LEU  29   6.779   0.837 -12.204
  219   HD23  LEU  29          2HD2      LEU  29   6.620   2.126 -10.992
  220    H    LEU  30           H        LEU  30   5.750  -1.334  -7.687
  221    HA   LEU  30           HA       LEU  30   4.564   0.287  -5.486
  222    HB2  LEU  30           2HB      LEU  30   5.591  -2.577  -5.399
  223    HB3  LEU  30           3HB      LEU  30   5.040  -1.635  -4.025
  224    HG   LEU  30           HG       LEU  30   3.296  -2.596  -6.325
  225   HD11  LEU  30          1HD1      LEU  30   4.080  -4.360  -4.787
  226   HD12  LEU  30          2HD1      LEU  30   3.400  -3.465  -3.409
  227   HD13  LEU  30          3HD1      LEU  30   2.331  -4.103  -4.675
  228   HD21  LEU  30          3HD2      LEU  30   2.297  -0.581  -5.568
  229   HD22  LEU  30          1HD2      LEU  30   1.406  -1.875  -4.777
  230   HD23  LEU  30          2HD2      LEU  30   2.612  -0.953  -3.853
  231    H    LYS  31           H        LYS  31   6.107   0.856  -3.795
  232    HA   LYS  31           HA       LYS  31   8.929   0.113  -4.223
  233    HB2  LYS  31           2HB      LYS  31   9.783   2.373  -4.100
  234    HB3  LYS  31           3HB      LYS  31   8.704   2.203  -5.464
  235    HG2  LYS  31           2HG      LYS  31   8.082   4.248  -4.710
  236    HG3  LYS  31           3HG      LYS  31   6.880   3.267  -3.879
  237    HD2  LYS  31           2HD      LYS  31   8.152   3.426  -1.782
  238    HD3  LYS  31           3HD      LYS  31   9.484   4.247  -2.598
  239    HE2  LYS  31           2HE      LYS  31   6.631   5.330  -2.430
  240    HE3  LYS  31           3HE      LYS  31   7.891   5.714  -1.259
  241    HZ1  LYS  31           3HZ      LYS  31   8.015   6.375  -4.148
  242    HZ2  LYS  31           1HZ      LYS  31   7.730   7.425  -2.938
  243    HZ3  LYS  31           2HZ      LYS  31   9.186   6.711  -3.057
  244    H    LEU  32           H        LEU  32  10.245   0.468  -2.303
  245    HA   LEU  32           HA       LEU  32   8.688   0.300   0.224
  246    HB2  LEU  32           2HB      LEU  32  10.181  -1.533  -0.209
  247    HB3  LEU  32           3HB      LEU  32  11.519  -0.473  -0.594
  248    HG   LEU  32           HG       LEU  32  11.617  -1.750   1.544
  249   HD11  LEU  32          1HD1      LEU  32  13.077   0.205   1.147
  250   HD12  LEU  32          2HD1      LEU  32  11.916   1.231   2.016
  251   HD13  LEU  32          3HD1      LEU  32  12.723  -0.101   2.853
  252   HD21  LEU  32          3HD2      LEU  32   9.243  -1.340   2.248
  253   HD22  LEU  32          1HD2      LEU  32  10.474  -1.113   3.508
  254   HD23  LEU  32          2HD2      LEU  32   9.728   0.294   2.740
  255    H    HIS  33           H        HIS  33   8.721   2.025   1.619
  256    HA   HIS  33           HA       HIS  33  11.083   3.706   1.828
  257    HB2  HIS  33           2HB      HIS  33   9.801   4.921   0.080
  258    HB3  HIS  33           3HB      HIS  33   8.382   4.946   1.131
  259    HD1  HIS  33           1HD      HIS  33   8.360   6.833   3.032
  260    HD2  HIS  33           2HD      HIS  33  11.935   6.483   0.832
  261    HE1  HIS  33           1HE      HIS  33   9.792   8.836   3.673
  262    H    ASP  34           H        ASP  34  11.279   4.364   3.946
  263    HA   ASP  34           HA       ASP  34  11.051   4.131   6.177
  264    HB2  ASP  34           2HB      ASP  34   9.970   6.267   5.647
  265    HB3  ASP  34           3HB      ASP  34   8.399   5.464   5.569
  266    H    GLU  35           H        GLU  35  10.716   1.717   5.255
  267    HA   GLU  35           HA       GLU  35  10.008  -0.353   5.674
  268    HB2  GLU  35           2HB      GLU  35   9.044   0.851   8.300
  269    HB3  GLU  35           3HB      GLU  35   9.211  -0.867   7.987
  270    HG2  GLU  35           2HG      GLU  35  11.469   1.170   8.001
  271    HG3  GLU  35           3HG      GLU  35  11.125  -0.039   9.234
  272    H    ARG  36           H        ARG  36   7.889   1.638   4.473
  273    HA   ARG  36           HA       ARG  36   5.681  -0.377   4.599
  274    HB2  ARG  36           2HB      ARG  36   5.607   2.653   4.455
  275    HB3  ARG  36           3HB      ARG  36   4.400   1.725   3.587
  276    HG2  ARG  36           2HG      ARG  36   3.399   2.246   5.625
  277    HG3  ARG  36           3HG      ARG  36   3.767   0.535   5.671
  278    HD2  ARG  36           2HD      ARG  36   4.240   1.501   7.843
  279    HD3  ARG  36           3HD      ARG  36   5.750   0.989   7.107
  280    HE   ARG  36           HE       ARG  36   6.513   3.124   7.166
  281   HH11  ARG  36          1HH1      ARG  36   2.942   3.348   7.354
  282   HH12  ARG  36          2HH1      ARG  36   2.974   5.085   7.554
  283   HH21  ARG  36          1HH2      ARG  36   6.454   5.383   7.796
  284   HH22  ARG  36          2HH2      ARG  36   4.897   6.138   8.060
  285    H    VAL  37           H        VAL  37   4.688  -0.845   2.563
  286    HA   VAL  37           HA       VAL  37   6.321  -0.047   0.207
  287    HB   VAL  37           HB       VAL  37   4.435  -2.393   0.582
  288   HG11  VAL  37          1HG1      VAL  37   5.117  -3.038  -1.721
  289   HG12  VAL  37          2HG1      VAL  37   4.179  -1.540  -1.703
  290   HG13  VAL  37          3HG1      VAL  37   5.948  -1.473  -1.891
  291   HG21  VAL  37          3HG2      VAL  37   6.625  -2.739   1.570
  292   HG22  VAL  37          1HG2      VAL  37   6.512  -3.699   0.095
  293   HG23  VAL  37          2HG2      VAL  37   7.442  -2.186   0.094
  294    H    LEU  38           H        LEU  38   5.438   1.285  -1.236
  295    HA   LEU  38           HA       LEU  38   2.662   2.268  -0.759
  296    HB2  LEU  38           2HB      LEU  38   5.109   3.829  -1.703
  297    HB3  LEU  38           3HB      LEU  38   3.477   4.447  -1.595
  298    HG   LEU  38           HG       LEU  38   4.614   5.379   0.186
  299   HD11  LEU  38          1HD1      LEU  38   2.356   4.513   0.775
  300   HD12  LEU  38          2HD1      LEU  38   3.122   3.058   1.459
  301   HD13  LEU  38          3HD1      LEU  38   3.441   4.649   2.169
  302   HD21  LEU  38          3HD2      LEU  38   5.972   4.296   1.824
  303   HD22  LEU  38          1HD2      LEU  38   5.553   2.691   1.226
  304   HD23  LEU  38          2HD2      LEU  38   6.544   3.769   0.231
  305    H    VAL  39           H        VAL  39   1.512   2.858  -2.618
  306    HA   VAL  39           HA       VAL  39   2.124   1.460  -5.066
  307    HB   VAL  39           HB       VAL  39   0.049   3.600  -4.477
  308   HG11  VAL  39          1HG1      VAL  39  -1.144   2.612  -6.439
  309   HG12  VAL  39          2HG1      VAL  39   0.416   3.291  -6.916
  310   HG13  VAL  39          3HG1      VAL  39   0.239   1.542  -6.726
  311   HG21  VAL  39          3HG2      VAL  39  -0.298   1.642  -3.005
  312   HG22  VAL  39          1HG2      VAL  39  -1.543   1.705  -4.248
  313   HG23  VAL  39          2HG2      VAL  39  -0.198   0.555  -4.405
  314    H    ALA  40           H        ALA  40   3.771   2.066  -6.311
  315    HA   ALA  40           HA       ALA  40   4.745   4.847  -6.346
  316    HB1  ALA  40           3HB      ALA  40   5.791   2.337  -7.754
  317    HB2  ALA  40           1HB      ALA  40   6.636   3.888  -7.592
  318    HB3  ALA  40           2HB      ALA  40   6.325   2.894  -6.156
  319    H    PHE  41           H        PHE  41   2.975   2.566  -8.395
  320    HA   PHE  41           HA       PHE  41   2.152   4.820 -10.022
  321    HB2  PHE  41           2HB      PHE  41   4.210   3.553 -11.161
  322    HB3  PHE  41           3HB      PHE  41   2.952   2.420 -11.640
  323    HD1  PHE  41           2HD      PHE  41   3.869   6.063 -11.620
  324    HD2  PHE  41           1HD      PHE  41   1.590   2.959 -13.567
  325    HE1  PHE  41           2HE      PHE  41   3.275   7.637 -13.445
  326    HE2  PHE  41           1HE      PHE  41   1.014   4.530 -15.392
  327    HZ   PHE  41           HZ       PHE  41   1.849   6.874 -15.337
  328    H    GLY  42           H        GLY  42   0.059   4.450 -10.839
  329    HA2  GLY  42           2HA      GLY  42  -1.580   2.231 -10.801
  330    HA3  GLY  42           3HA      GLY  42  -1.466   2.735  -9.102
  331    H    GLN  43           H        GLN  43  -2.652   3.570 -12.284
  332    HA   GLN  43           HA       GLN  43  -4.030   5.968 -11.251
  333    HB2  GLN  43           2HB      GLN  43  -3.118   7.401 -13.032
  334    HB3  GLN  43           3HB      GLN  43  -1.933   6.871 -11.862
  335    HG2  GLN  43           2HG      GLN  43  -0.826   6.777 -13.919
  336    HG3  GLN  43           3HG      GLN  43  -1.152   5.105 -13.512
  337   HE21  GLN  43          2HE2      GLN  43  -1.662   3.970 -15.371
  338   HE22  GLN  43          1HE2      GLN  43  -2.636   4.603 -16.689
  339    H    ARG  44           H        ARG  44  -5.320   6.949 -13.170
  340    HA   ARG  44           HA       ARG  44  -7.053   6.874 -14.538
  341    HB2  ARG  44           2HB      ARG  44  -5.465   5.793 -16.128
  342    HB3  ARG  44           3HB      ARG  44  -6.064   4.211 -15.607
  343    HG2  ARG  44           2HG      ARG  44  -8.353   4.840 -16.371
  344    HG3  ARG  44           3HG      ARG  44  -7.746   6.430 -16.853
  345    HD2  ARG  44           2HD      ARG  44  -7.901   5.031 -18.826
  346    HD3  ARG  44           3HD      ARG  44  -6.206   5.346 -18.475
  347    HE   ARG  44           HE       ARG  44  -5.841   3.124 -18.043
  348   HH11  ARG  44          1HH1      ARG  44  -9.350   3.619 -18.292
  349   HH12  ARG  44          2HH1      ARG  44  -9.731   1.937 -18.284
  350   HH21  ARG  44          1HH2      ARG  44  -6.348   0.885 -18.026
  351   HH22  ARG  44          2HH2      ARG  44  -7.982   0.352 -18.137
  352    H    ASP  45           H        ASP  45  -6.630   3.603 -13.070
  353    HA   ASP  45           HA       ASP  45  -9.440   3.042 -12.801
  354    HB2  ASP  45           2HB      ASP  45  -7.748   1.301 -12.538
  355    HB3  ASP  45           3HB      ASP  45  -7.038   2.147 -11.158
  356    H    GLY  46           H        GLY  46  -7.096   4.837 -10.833
  357    HA2  GLY  46           2HA      GLY  46  -8.892   6.666  -9.732
  358    HA3  GLY  46           3HA      GLY  46  -8.592   5.404  -8.512
  359    H    ILE  47           H        ILE  47  -7.600   7.737  -7.732
  360    HA   ILE  47           HA       ILE  47  -4.846   8.162  -8.612
  361    HB   ILE  47           HB       ILE  47  -4.816   9.824  -6.740
  362   HG12  ILE  47          2HG1      ILE  47  -7.821   9.306  -6.495
  363   HG13  ILE  47          3HG1      ILE  47  -6.646   8.707  -5.331
  364   HG21  ILE  47          1HG2      ILE  47  -7.098  10.145  -8.740
  365   HG22  ILE  47          2HG2      ILE  47  -6.167  11.444  -7.967
  366   HG23  ILE  47          3HG2      ILE  47  -5.374  10.359  -9.106
  367   HD11  ILE  47          3HD1      ILE  47  -7.214  11.631  -5.950
  368   HD12  ILE  47          1HD1      ILE  47  -7.613  10.736  -4.476
  369   HD13  ILE  47          2HD1      ILE  47  -5.914  11.054  -4.877
  370    H    ARG  48           H        ARG  48  -4.682   5.638  -8.197
  371    HA   ARG  48           HA       ARG  48  -4.651   4.764  -5.459
  372    HB2  ARG  48           2HB      ARG  48  -3.304   3.366  -7.806
  373    HB3  ARG  48           3HB      ARG  48  -3.810   2.658  -6.290
  374    HG2  ARG  48           2HG      ARG  48  -5.574   3.612  -8.575
  375    HG3  ARG  48           3HG      ARG  48  -5.382   1.982  -7.933
  376    HD2  ARG  48           2HD      ARG  48  -6.337   2.897  -5.729
  377    HD3  ARG  48           3HD      ARG  48  -6.808   4.342  -6.638
  378    HE   ARG  48           HE       ARG  48  -7.854   2.278  -8.140
  379   HH11  ARG  48          1HH1      ARG  48  -8.184   3.156  -4.707
  380   HH12  ARG  48          2HH1      ARG  48  -9.597   2.198  -4.458
  381   HH21  ARG  48          1HH2      ARG  48  -9.702   1.246  -7.931
  382   HH22  ARG  48          2HH2      ARG  48 -10.619   1.172  -6.431
  383    H    VAL  49           H        VAL  49  -2.079   6.032  -7.544
  384    HA   VAL  49           HA       VAL  49   0.199   5.396  -6.152
  385    HB   VAL  49           HB       VAL  49   0.936   7.815  -6.757
  386   HG11  VAL  49          1HG1      VAL  49   1.558   5.809  -7.979
  387   HG12  VAL  49          2HG1      VAL  49   0.023   5.857  -8.890
  388   HG13  VAL  49          3HG1      VAL  49   1.231   7.142  -9.099
  389   HG21  VAL  49          3HG2      VAL  49  -1.394   8.762  -7.002
  390   HG22  VAL  49          1HG2      VAL  49  -0.359   8.983  -8.422
  391   HG23  VAL  49          2HG2      VAL  49  -1.613   7.736  -8.443
  392    H    GLY  50           H        GLY  50   1.341   6.004  -4.401
  393    HA2  GLY  50           2HA      GLY  50   1.943   7.201  -2.542
  394    HA3  GLY  50           3HA      GLY  50   0.509   8.218  -2.704
  395    H    HIS  51           H        HIS  51  -1.033   5.383  -2.790
  396    HA   HIS  51           HA       HIS  51  -1.646   5.370   0.060
  397    HB2  HIS  51           2HB      HIS  51  -2.520   3.606  -2.263
  398    HB3  HIS  51           3HB      HIS  51  -3.110   3.439  -0.614
  399    HD1  HIS  51           1HD      HIS  51  -3.384   5.866  -3.579
  400    HD2  HIS  51           2HD      HIS  51  -4.734   5.367   0.364
  401    HE1  HIS  51           1HE      HIS  51  -5.251   7.572  -3.238
  402    H    ALA  52           H        ALA  52  -1.509   3.357   1.370
  403    HA   ALA  52           HA       ALA  52   1.132   2.029   0.962
  404    HB1  ALA  52           3HB      ALA  52  -0.474   2.544   3.512
  405    HB2  ALA  52           1HB      ALA  52   1.119   1.767   3.412
  406    HB3  ALA  52           2HB      ALA  52   0.943   3.481   2.981
  407    H    VAL  53           H        VAL  53   1.247  -0.216   1.170
  408    HA   VAL  53           HA       VAL  53  -1.129  -1.731   0.629
  409    HB   VAL  53           HB       VAL  53   1.188  -2.278  -0.116
  410   HG11  VAL  53          1HG1      VAL  53   1.604  -3.200   2.757
  411   HG12  VAL  53          2HG1      VAL  53   2.661  -3.585   1.393
  412   HG13  VAL  53          3HG1      VAL  53   2.471  -1.906   1.930
  413   HG21  VAL  53          3HG2      VAL  53  -0.653  -3.908  -0.241
  414   HG22  VAL  53          1HG2      VAL  53   0.924  -4.672  -0.012
  415   HG23  VAL  53          2HG2      VAL  53  -0.202  -4.548   1.351
  416    H    LEU  54           H        LEU  54  -2.186  -3.295   1.983
  417    HA   LEU  54           HA       LEU  54  -1.868  -2.917   4.931
  418    HB2  LEU  54           2HB      LEU  54  -4.442  -2.927   3.299
  419    HB3  LEU  54           3HB      LEU  54  -4.378  -3.032   5.049
  420    HG   LEU  54           HG       LEU  54  -3.328  -0.657   3.450
  421   HD11  LEU  54          1HD1      LEU  54  -5.933  -0.972   4.995
  422   HD12  LEU  54          2HD1      LEU  54  -5.351   0.505   4.192
  423   HD13  LEU  54          3HD1      LEU  54  -5.764  -0.925   3.228
  424   HD21  LEU  54          3HD2      LEU  54  -3.383   0.508   5.650
  425   HD22  LEU  54          1HD2      LEU  54  -3.797  -1.030   6.441
  426   HD23  LEU  54          2HD2      LEU  54  -2.224  -0.823   5.641
  427    H    ALA  55           H        ALA  55  -3.113  -5.036   2.237
  428    HA   ALA  55           HA       ALA  55  -2.120  -7.321   3.774
  429    HB1  ALA  55           3HB      ALA  55  -4.400  -7.213   4.670
  430    HB2  ALA  55           1HB      ALA  55  -5.074  -7.121   3.019
  431    HB3  ALA  55           2HB      ALA  55  -4.274  -8.593   3.573
  432    H    ILE  56           H        ILE  56  -2.053  -9.280   2.481
  433    HA   ILE  56           HA       ILE  56  -2.511  -8.979  -0.434
  434    HB   ILE  56           HB       ILE  56   0.117  -9.916   0.806
  435   HG12  ILE  56          2HG1      ILE  56  -0.457  -7.522  -1.002
  436   HG13  ILE  56          3HG1      ILE  56  -0.108  -7.434   0.724
  437   HG21  ILE  56          1HG2      ILE  56  -0.782  -9.857  -2.119
  438   HG22  ILE  56          2HG2      ILE  56   0.853 -10.284  -1.556
  439   HG23  ILE  56          3HG2      ILE  56  -0.501 -11.307  -1.141
  440   HD11  ILE  56          3HD1      ILE  56   1.823  -8.293  -1.441
  441   HD12  ILE  56          1HD1      ILE  56   1.868  -6.860  -0.407
  442   HD13  ILE  56          2HD1      ILE  56   2.135  -8.470   0.296
  443    H    ASN  57           H        ASN  57  -3.244 -10.897  -1.271
  444    HA   ASN  57           HA       ASN  57  -4.377 -12.837  -1.284
  445    HB2  ASN  57           2HB      ASN  57  -1.763 -13.771  -0.059
  446    HB3  ASN  57           3HB      ASN  57  -2.972 -14.842  -0.761
  447   HD21  ASN  57          2HD2      ASN  57  -0.450 -14.970  -1.805
  448   HD22  ASN  57          1HD2      ASN  57  -0.403 -14.274  -3.392
  449    H    GLY  58           H        GLY  58  -4.991 -11.231   1.061
  450    HA2  GLY  58           2HA      GLY  58  -6.622 -11.499   2.646
  451    HA3  GLY  58           3HA      GLY  58  -6.537 -13.259   2.472
  452    H    MET  59           H        MET  59  -3.475 -11.626   3.115
  453    HA   MET  59           HA       MET  59  -3.825 -11.951   6.052
  454    HB2  MET  59           2HB      MET  59  -1.409 -12.479   6.190
  455    HB3  MET  59           3HB      MET  59  -2.395 -13.764   5.483
  456    HG2  MET  59           2HG      MET  59  -1.570 -13.276   3.280
  457    HG3  MET  59           3HG      MET  59  -0.756 -11.809   3.836
  458    HE1  MET  59           3HE      MET  59   0.521 -14.098   2.038
  459    HE2  MET  59           1HE      MET  59   1.343 -12.591   2.493
  460    HE3  MET  59           2HE      MET  59   2.156 -14.156   2.733
  461    H    ASP  60           H        ASP  60  -3.360 -10.201   7.172
  462    HA   ASP  60           HA       ASP  60  -2.732  -7.635   6.205
  463    HB2  ASP  60           2HB      ASP  60  -3.587  -7.883   8.420
  464    HB3  ASP  60           3HB      ASP  60  -2.335  -9.050   8.860
  465    H    VAL  61           H        VAL  61  -0.791  -6.528   5.867
  466    HA   VAL  61           HA       VAL  61   1.685  -8.156   6.176
  467    HB   VAL  61           HB       VAL  61   2.694  -7.050   4.305
  468   HG11  VAL  61          1HG1      VAL  61   1.575  -8.285   2.566
  469   HG12  VAL  61          2HG1      VAL  61   1.424  -9.229   4.055
  470   HG13  VAL  61          3HG1      VAL  61   0.046  -8.303   3.462
  471   HG21  VAL  61          3HG2      VAL  61   1.428  -5.778   2.661
  472   HG22  VAL  61          1HG2      VAL  61  -0.030  -5.841   3.673
  473   HG23  VAL  61          2HG2      VAL  61   1.399  -4.940   4.219
  474    H    ASN  62           H        ASN  62   3.238  -7.378   7.318
  475    HA   ASN  62           HA       ASN  62   2.816  -5.054   9.046
  476    HB2  ASN  62           2HB      ASN  62   3.595  -7.182  10.001
  477    HB3  ASN  62           3HB      ASN  62   4.963  -7.207   8.883
  478   HD21  ASN  62          2HD2      ASN  62   6.286  -7.383  10.863
  479   HD22  ASN  62          1HD2      ASN  62   6.692  -5.934  11.747
  480    H    GLY  63           H        GLY  63   2.845  -3.653   7.111
  481    HA2  GLY  63           2HA      GLY  63   3.797  -1.802   6.199
  482    HA3  GLY  63           3HA      GLY  63   5.293  -2.182   7.060
  483    H    ARG  64           H        ARG  64   6.506  -4.128   6.081
  484    HA   ARG  64           HA       ARG  64   6.209  -4.403   3.163
  485    HB2  ARG  64           2HB      ARG  64   8.503  -3.932   2.660
  486    HB3  ARG  64           3HB      ARG  64   7.789  -2.548   3.476
  487    HG2  ARG  64           2HG      ARG  64   9.345  -2.525   5.031
  488    HG3  ARG  64           3HG      ARG  64   9.053  -4.186   5.484
  489    HD2  ARG  64           2HD      ARG  64  10.735  -5.024   4.038
  490    HD3  ARG  64           3HD      ARG  64  10.699  -3.584   3.005
  491    HE   ARG  64           HE       ARG  64  11.495  -2.918   5.693
  492   HH11  ARG  64          1HH1      ARG  64  12.926  -4.548   2.844
  493   HH12  ARG  64          2HH1      ARG  64  14.442  -3.737   3.024
  494   HH21  ARG  64          1HH2      ARG  64  13.462  -1.891   5.912
  495   HH22  ARG  64          2HH2      ARG  64  14.803  -2.310   4.886
  496    H    TYR  65           H        TYR  65   6.177  -6.037   5.948
  497    HA   TYR  65           HA       TYR  65   7.488  -8.405   4.692
  498    HB2  TYR  65           2HB      TYR  65   7.237  -7.736   7.648
  499    HB3  TYR  65           3HB      TYR  65   7.829  -9.255   6.990
  500    HD1  TYR  65           1HD      TYR  65   8.600  -5.650   7.455
  501    HD2  TYR  65           2HD      TYR  65  10.071  -9.441   6.015
  502    HE1  TYR  65           1HE      TYR  65  10.867  -4.668   7.194
  503    HE2  TYR  65           2HE      TYR  65  12.353  -8.508   5.866
  504    HH   TYR  65           HH       TYR  65  13.695  -6.623   6.132
  505    H    THR  66           H        THR  66   6.112 -10.305   4.667
  506    HA   THR  66           HA       THR  66   3.289  -9.787   5.066
  507    HB   THR  66           HB       THR  66   3.012 -12.168   4.512
  508    HG1  THR  66           1HG      THR  66   4.827 -13.378   3.963
  509   HG21  THR  66          3HG2      THR  66   3.233 -10.501   2.684
  510   HG22  THR  66          1HG2      THR  66   4.991 -10.792   2.633
  511   HG23  THR  66          2HG2      THR  66   3.859 -12.092   2.214
  512    H    ALA  67           H        ALA  67   2.006 -11.473   6.365
  513    HA   ALA  67           HA       ALA  67   2.624 -11.431   9.137
  514    HB1  ALA  67           3HB      ALA  67   0.357 -11.822   8.213
  515    HB2  ALA  67           1HB      ALA  67   0.924 -13.331   7.456
  516    HB3  ALA  67           2HB      ALA  67   0.844 -13.196   9.230
  517    H    ASP  68           H        ASP  68   3.312 -13.778   6.551
  518    HA   ASP  68           HA       ASP  68   4.490 -15.810   8.232
  519    HB2  ASP  68           2HB      ASP  68   3.585 -16.354   6.036
  520    HB3  ASP  68           3HB      ASP  68   4.723 -15.256   5.250
  521    H    GLY  69           H        GLY  69   5.796 -13.049   6.358
  522    HA2  GLY  69           2HA      GLY  69   7.582 -11.854   7.565
  523    HA3  GLY  69           3HA      GLY  69   8.433 -13.391   7.745
  524    H    LYS  70           H        LYS  70   7.046 -13.386   4.647
  525    HA   LYS  70           HA       LYS  70   9.548 -13.035   3.245
  526    HB2  LYS  70           2HB      LYS  70   6.661 -12.841   2.241
  527    HB3  LYS  70           3HB      LYS  70   8.084 -13.075   1.233
  528    HG2  LYS  70           2HG      LYS  70   7.139 -15.077   3.340
  529    HG3  LYS  70           3HG      LYS  70   6.683 -15.134   1.645
  530    HD2  LYS  70           2HD      LYS  70   8.978 -15.411   0.935
  531    HD3  LYS  70           3HD      LYS  70   9.587 -15.249   2.591
  532    HE2  LYS  70           2HE      LYS  70   7.567 -17.373   1.791
  533    HE3  LYS  70           3HE      LYS  70   9.308 -17.623   1.587
  534    HZ1  LYS  70           3HZ      LYS  70   8.592 -18.537   3.661
  535    HZ2  LYS  70           1HZ      LYS  70   9.552 -17.263   3.991
  536    HZ3  LYS  70           2HZ      LYS  70   7.917 -17.143   4.167
  537    H    GLU  71           H        GLU  71  10.254 -11.123   2.049
  538    HA   GLU  71           HA       GLU  71   9.107  -8.584   2.952
  539    HB2  GLU  71           2HB      GLU  71  11.287  -9.331   0.967
  540    HB3  GLU  71           3HB      GLU  71  10.550  -7.722   0.965
  541    HG2  GLU  71           2HG      GLU  71  11.048  -7.579   3.453
  542    HG3  GLU  71           3HG      GLU  71  12.043  -9.031   3.264
  543    H    VAL  72           H        VAL  72   7.567  -7.459   1.908
  544    HA   VAL  72           HA       VAL  72   5.696  -8.752   0.280
  545    HB   VAL  72           HB       VAL  72   6.272  -5.869   1.000
  546   HG11  VAL  72          1HG1      VAL  72   5.249  -5.533  -1.132
  547   HG12  VAL  72          2HG1      VAL  72   4.064  -6.811  -0.847
  548   HG13  VAL  72          3HG1      VAL  72   3.982  -5.286   0.074
  549   HG21  VAL  72          3HG2      VAL  72   3.953  -7.728   1.673
  550   HG22  VAL  72          1HG2      VAL  72   5.353  -7.446   2.714
  551   HG23  VAL  72          2HG2      VAL  72   4.246  -6.111   2.346
  552    H    LEU  73           H        LEU  73   8.339  -6.514  -0.776
  553    HA   LEU  73           HA       LEU  73   7.450  -6.522  -3.509
  554    HB2  LEU  73           2HB      LEU  73  10.189  -5.908  -2.322
  555    HB3  LEU  73           3HB      LEU  73   9.752  -5.652  -4.007
  556    HG   LEU  73           HG       LEU  73   8.468  -4.250  -1.625
  557   HD11  LEU  73          1HD1      LEU  73  10.775  -3.515  -2.077
  558   HD12  LEU  73          2HD1      LEU  73  10.362  -3.219  -3.779
  559   HD13  LEU  73          3HD1      LEU  73   9.610  -2.250  -2.495
  560   HD21  LEU  73          3HD2      LEU  73   7.425  -2.775  -3.364
  561   HD22  LEU  73          1HD2      LEU  73   7.980  -3.902  -4.617
  562   HD23  LEU  73          2HD2      LEU  73   6.796  -4.421  -3.393
  563    H    GLU  74           H        GLU  74   9.664  -8.663  -1.700
  564    HA   GLU  74           HA       GLU  74  10.593 -10.062  -4.070
  565    HB2  GLU  74           2HB      GLU  74  11.862  -9.952  -1.938
  566    HB3  GLU  74           3HB      GLU  74  10.596 -10.883  -1.127
  567    HG2  GLU  74           2HG      GLU  74  11.024 -12.803  -2.621
  568    HG3  GLU  74           3HG      GLU  74  12.216 -11.861  -3.520
  569    H    TYR  75           H        TYR  75   8.066 -10.580  -1.582
  570    HA   TYR  75           HA       TYR  75   7.169 -13.105  -2.403
  571    HB2  TYR  75           2HB      TYR  75   6.643 -11.879  -0.266
  572    HB3  TYR  75           3HB      TYR  75   5.562 -10.827  -1.159
  573    HD1  TYR  75           1HD      TYR  75   6.217 -14.508  -0.686
  574    HD2  TYR  75           2HD      TYR  75   3.260 -11.379  -1.034
  575    HE1  TYR  75           1HE      TYR  75   4.437 -16.146  -0.198
  576    HE2  TYR  75           2HE      TYR  75   1.472 -13.003  -0.545
  577    HH   TYR  75           HH       TYR  75   0.969 -15.238   0.027
  578    H    LEU  76           H        LEU  76   6.067  -9.838  -3.411
  579    HA   LEU  76           HA       LEU  76   4.106 -10.855  -5.307
  580    HB2  LEU  76           2HB      LEU  76   5.394  -8.125  -4.866
  581    HB3  LEU  76           3HB      LEU  76   4.129  -8.421  -6.052
  582    HG   LEU  76           HG       LEU  76   3.775  -8.880  -3.049
  583   HD11  LEU  76          1HD1      LEU  76   2.891  -6.577  -4.829
  584   HD12  LEU  76          2HD1      LEU  76   2.427  -6.797  -3.133
  585   HD13  LEU  76          3HD1      LEU  76   4.122  -6.510  -3.547
  586   HD21  LEU  76          3HD2      LEU  76   1.847  -8.980  -5.382
  587   HD22  LEU  76          1HD2      LEU  76   2.262 -10.283  -4.243
  588   HD23  LEU  76          2HD2      LEU  76   1.333  -8.888  -3.686
  589    H    GLY  77           H        GLY  77   7.524  -9.830  -5.467
  590    HA2  GLY  77           2HA      GLY  77   7.729  -9.645  -8.289
  591    HA3  GLY  77           3HA      GLY  77   9.052  -9.885  -7.133
  592    H    ASN  78           H        ASN  78   7.986 -12.431  -6.074
  593    HA   ASN  78           HA       ASN  78   9.111 -14.352  -7.829
  594    HB2  ASN  78           2HB      ASN  78   8.855 -14.725  -5.428
  595    HB3  ASN  78           3HB      ASN  78   7.096 -14.626  -5.563
  596   HD21  ASN  78          2HD2      ASN  78   7.560 -16.819  -4.368
  597   HD22  ASN  78          1HD2      ASN  78   7.652 -18.217  -5.404
  598    HA   PRO  79           HA       PRO  79   5.519 -14.217 -10.524
  599    HB2  PRO  79           2HB      PRO  79   6.317 -15.697 -12.653
  600    HB3  PRO  79           3HB      PRO  79   6.910 -14.044 -12.295
  601    HG2  PRO  79           2HG      PRO  79   8.230 -16.696 -11.581
  602    HG3  PRO  79           3HG      PRO  79   8.985 -15.273 -12.369
  603    HD2  PRO  79           2HD      PRO  79   9.175 -15.734  -9.675
  604    HD3  PRO  79           3HD      PRO  79   9.062 -14.079 -10.343
  605    H    ALA  80           H        ALA  80   6.700 -17.102  -8.971
  606    HA   ALA  80           HA       ALA  80   4.537 -18.851  -9.742
  607    HB1  ALA  80           3HB      ALA  80   6.622 -19.587  -8.537
  608    HB2  ALA  80           1HB      ALA  80   6.043 -18.713  -7.092
  609    HB3  ALA  80           2HB      ALA  80   5.126 -20.090  -7.722
  610    H    ASN  81           H        ASN  81   4.661 -15.926  -7.958
  611    HA   ASN  81           HA       ASN  81   1.912 -16.203  -6.888
  612    HB2  ASN  81           2HB      ASN  81   3.618 -16.560  -5.100
  613    HB3  ASN  81           3HB      ASN  81   4.379 -15.033  -5.541
  614   HD21  ASN  81          2HD2      ASN  81   4.005 -13.656  -3.921
  615   HD22  ASN  81          1HD2      ASN  81   2.502 -13.468  -3.032
  616    H    TYR  82           H        TYR  82   2.908 -15.106  -9.461
  617    HA   TYR  82           HA       TYR  82   2.795 -12.214  -9.272
  618    HB2  TYR  82           2HB      TYR  82   2.762 -14.246 -11.468
  619    HB3  TYR  82           3HB      TYR  82   1.844 -12.797 -11.777
  620    HD1  TYR  82           1HD      TYR  82   4.802 -11.985  -9.761
  621    HD2  TYR  82           2HD      TYR  82   3.368 -12.781 -13.763
  622    HE1  TYR  82           1HE      TYR  82   6.724 -10.793 -10.685
  623    HE2  TYR  82           2HE      TYR  82   5.312 -11.586 -14.694
  624    HH   TYR  82           HH       TYR  82   7.838 -10.086 -12.613
  625    HA   PRO  83           HA       PRO  83  -1.854 -12.600 -10.018
  626    HB2  PRO  83           2HB      PRO  83  -3.202 -14.970  -9.735
  627    HB3  PRO  83           3HB      PRO  83  -2.511 -14.398 -11.284
  628    HG2  PRO  83           2HG      PRO  83  -1.314 -16.372  -9.324
  629    HG3  PRO  83           3HG      PRO  83  -1.421 -16.501 -11.107
  630    HD2  PRO  83           2HD      PRO  83   0.832 -15.670  -9.832
  631    HD3  PRO  83           3HD      PRO  83   0.356 -14.992 -11.416
  632    H    VAL  84           H        VAL  84  -2.706 -11.679  -8.234
  633    HA   VAL  84           HA       VAL  84  -2.679 -12.998  -5.586
  634    HB   VAL  84           HB       VAL  84  -1.585 -10.937  -4.637
  635   HG11  VAL  84          1HG1      VAL  84   0.218 -12.352  -6.596
  636   HG12  VAL  84          2HG1      VAL  84   0.664 -11.597  -5.061
  637   HG13  VAL  84          3HG1      VAL  84  -0.337 -13.053  -5.064
  638   HG21  VAL  84          3HG2      VAL  84  -1.960  -9.340  -6.466
  639   HG22  VAL  84          1HG2      VAL  84  -0.240  -9.477  -6.082
  640   HG23  VAL  84          2HG2      VAL  84  -0.875 -10.260  -7.525
  641    H    SER  85           H        SER  85  -3.669 -11.446  -3.954
  642    HA   SER  85           HA       SER  85  -5.643  -9.548  -5.119
  643    HB2  SER  85           2HB      SER  85  -6.094 -11.402  -2.743
  644    HB3  SER  85           3HB      SER  85  -7.233 -10.194  -3.370
  645    HG   SER  85           HG       SER  85  -7.683 -12.341  -4.099
  646    H    ILE  86           H        ILE  86  -5.601  -7.532  -3.954
  647    HA   ILE  86           HA       ILE  86  -3.763  -7.424  -1.614
  648    HB   ILE  86           HB       ILE  86  -3.538  -5.645  -4.077
  649   HG12  ILE  86          2HG1      ILE  86  -1.684  -7.853  -3.084
  650   HG13  ILE  86          3HG1      ILE  86  -2.617  -7.856  -4.579
  651   HG21  ILE  86          1HG2      ILE  86  -1.830  -5.701  -1.552
  652   HG22  ILE  86          2HG2      ILE  86  -1.578  -4.646  -2.961
  653   HG23  ILE  86          3HG2      ILE  86  -2.998  -4.437  -1.978
  654   HD11  ILE  86          3HD1      ILE  86  -0.219  -6.112  -3.958
  655   HD12  ILE  86          1HD1      ILE  86  -0.370  -7.384  -5.163
  656   HD13  ILE  86          2HD1      ILE  86  -1.285  -5.880  -5.373
  657    H    ARG  87           H        ARG  87  -4.216  -5.833  -0.191
  658    HA   ARG  87           HA       ARG  87  -6.464  -3.971  -0.776
  659    HB2  ARG  87           2HB      ARG  87  -5.800  -5.277   1.910
  660    HB3  ARG  87           3HB      ARG  87  -6.879  -3.897   1.685
  661    HG2  ARG  87           2HG      ARG  87  -8.242  -5.333   0.102
  662    HG3  ARG  87           3HG      ARG  87  -7.301  -6.726   0.649
  663    HD2  ARG  87           2HD      ARG  87  -8.882  -4.855   2.480
  664    HD3  ARG  87           3HD      ARG  87  -9.538  -6.345   1.834
  665    HE   ARG  87           HE       ARG  87  -7.606  -6.027   3.991
  666   HH11  ARG  87          1HH2      ARG  87  -8.976  -8.353   1.645
  667   HH12  ARG  87          2HH2      ARG  87  -8.685  -9.725   2.660
  668   HH21  ARG  87          1HH1      ARG  87  -7.196  -7.871   5.298
  669   HH22  ARG  87          2HH1      ARG  87  -7.629  -9.445   4.760
  670    H    PHE  88           H        PHE  88  -5.882  -1.893  -0.493
  671    HA   PHE  88           HA       PHE  88  -3.550  -1.138   1.084
  672    HB2  PHE  88           2HB      PHE  88  -2.565   0.182  -0.744
  673    HB3  PHE  88           3HB      PHE  88  -2.517  -1.537  -1.097
  674    HD1  PHE  88           2HD      PHE  88  -4.194   1.685  -1.902
  675    HD2  PHE  88           1HD      PHE  88  -3.578  -2.419  -3.096
  676    HE1  PHE  88           2HE      PHE  88  -5.119   2.196  -4.119
  677    HE2  PHE  88           1HE      PHE  88  -4.493  -1.894  -5.330
  678    HZ   PHE  88           HZ       PHE  88  -5.282   0.404  -5.860
  679    H    GLY  89           H        GLY  89  -3.547   1.329   1.254
  680    HA2  GLY  89           2HA      GLY  89  -5.640   2.991   0.427
  681    HA3  GLY  89           3HA      GLY  89  -6.191   2.198   1.910
  682    H    ARG  90           H        ARG  90  -6.160   4.189   3.046
  683    HA   ARG  90           HA       ARG  90  -3.607   5.601   3.472
  684    HB2  ARG  90           2HB      ARG  90  -6.405   5.791   4.699
  685    HB3  ARG  90           3HB      ARG  90  -5.024   6.608   5.405
  686    HG2  ARG  90           2HG      ARG  90  -5.890   8.281   4.108
  687    HG3  ARG  90           3HG      ARG  90  -4.638   7.630   3.049
  688    HD2  ARG  90           2HD      ARG  90  -6.450   6.317   1.851
  689    HD3  ARG  90           3HD      ARG  90  -7.634   7.110   2.908
  690    HE   ARG  90           HE       ARG  90  -5.785   8.829   1.380
  691   HH11  ARG  90          1HH1      ARG  90  -9.048   7.372   1.406
  692   HH12  ARG  90          2HH1      ARG  90  -9.724   8.613   0.404
  693   HH21  ARG  90          1HH2      ARG  90  -6.693  10.401  -0.000
  694   HH22  ARG  90          2HH2      ARG  90  -8.351  10.324  -0.453
  695    HA   PRO  91           HA       PRO  91  -2.265   2.867   6.739
  696    HB2  PRO  91           2HB      PRO  91  -1.384   4.616   8.715
  697    HB3  PRO  91           3HB      PRO  91  -0.464   4.185   7.243
  698    HG2  PRO  91           2HG      PRO  91  -2.217   6.615   7.702
  699    HG3  PRO  91           3HG      PRO  91  -0.577   6.549   6.981
  700    HD2  PRO  91           2HD      PRO  91  -2.788   6.687   5.440
  701    HD3  PRO  91           3HD      PRO  91  -1.414   5.653   4.955
  702    H    ARG  92           H        ARG  92  -2.960   2.082   8.843
  703    HA   ARG  92           HA       ARG  92  -5.787   2.503   9.240
  704    HB2  ARG  92           2HB      ARG  92  -3.811   0.886  10.916
  705    HB3  ARG  92           3HB      ARG  92  -5.573   0.777  10.983
  706    HG2  ARG  92           2HG      ARG  92  -5.572   0.065   8.556
  707    HG3  ARG  92           3HG      ARG  92  -3.800   0.002   8.630
  708    HD2  ARG  92           2HD      ARG  92  -3.933  -1.633  10.485
  709    HD3  ARG  92           3HD      ARG  92  -5.690  -1.572  10.423
  710    HE   ARG  92           HE       ARG  92  -5.693  -2.614   8.273
  711   HH11  ARG  92          1HH1      ARG  92  -2.454  -2.708   9.818
  712   HH12  ARG  92          2HH1      ARG  92  -2.022  -4.162   8.932
  713   HH21  ARG  92          1HH2      ARG  92  -4.909  -4.475   7.087
  714   HH22  ARG  92          2HH2      ARG  92  -3.266  -5.005   7.382
  715    H    LEU  93           H        LEU  93  -3.250   4.350  10.384
  716    HA   LEU  93           HA       LEU  93  -4.842   5.470  12.590
  717    HB2  LEU  93           2HB      LEU  93  -3.223   3.837  13.581
  718    HB3  LEU  93           3HB      LEU  93  -1.898   4.667  12.770
  719    HG   LEU  93           HG       LEU  93  -2.274   6.677  14.152
  720   HD11  LEU  93          1HD1      LEU  93  -4.711   6.548  14.565
  721   HD12  LEU  93          2HD1      LEU  93  -4.486   5.049  15.490
  722   HD13  LEU  93          3HD1      LEU  93  -3.834   6.588  16.091
  723   HD21  LEU  93          3HD2      LEU  93  -1.540   5.740  16.290
  724   HD22  LEU  93          1HD2      LEU  93  -2.100   4.124  15.801
  725   HD23  LEU  93          2HD2      LEU  93  -0.757   4.906  14.940
  726    H    THR  94           H        THR  94  -4.005   7.747  13.056
  727    HA   THR  94           HA       THR  94  -3.746   9.191  10.653
  728    HB   THR  94           HB       THR  94  -3.316  11.084  12.423
  729    HG1  THR  94           1HG      THR  94  -2.715   9.974  14.213
  730   HG21  THR  94          3HG2      THR  94  -5.687  11.058  13.092
  731   HG22  THR  94          1HG2      THR  94  -5.513  10.643  11.380
  732   HG23  THR  94          2HG2      THR  94  -5.840   9.365  12.569
  733    H    SER  95           H        SER  95  -1.236   7.825  12.710
  734    HA   SER  95           HA       SER  95   0.953   9.447  12.080
  735    HB2  SER  95           2HB      SER  95   0.965   6.417  12.368
  736    HB3  SER  95           3HB      SER  95   2.273   7.551  12.750
  737    HG   SER  95           HG       SER  95   1.179   6.933  14.634
  738    H    ASN  96           H        ASN  96   2.069   9.804  10.213
  739    HA   ASN  96           HA       ASN  96   1.172   8.814   7.693
  740    HB2  ASN  96           2HB      ASN  96   2.369  10.950   7.834
  741    HB3  ASN  96           3HB      ASN  96   3.807  10.134   8.476
  742   HD21  ASN  96          2HD2      ASN  96   1.584  10.016   5.615
  743   HD22  ASN  96          1HD2      ASN  96   2.832   9.600   4.472
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1 -11.930  20.461   2.082
    2    H2   MET   1           H2       MET   1 -13.153  19.403   2.341
    3    H3   MET   1           H3       MET   1 -12.242  19.927   3.606
    4    HA   MET   1           HA       MET   1 -10.296  18.863   2.736
    5    HB2  MET   1           2HB      MET   1 -11.700  17.600   4.311
    6    HB3  MET   1           3HB      MET   1 -12.682  16.972   2.981
    7    HG2  MET   1           2HG      MET   1 -10.747  15.767   2.078
    8    HG3  MET   1           3HG      MET   1  -9.691  16.497   3.289
    9    HE1  MET   1           3HE      MET   1  -9.687  12.767   4.409
   10    HE2  MET   1           1HE      MET   1  -9.639  13.440   2.763
   11    HE3  MET   1           2HE      MET   1  -8.698  14.203   4.068
   12    H    GLY   2           H        GLY   2  -9.262  18.788   0.795
   13    HA2  GLY   2           2HA      GLY   2  -9.779  17.102  -1.317
   14    HA3  GLY   2           3HA      GLY   2 -10.674  18.584  -1.703
   15    H    HIS   3           H        HIS   3  -9.013  18.502  -3.508
   16    HA   HIS   3           HA       HIS   3  -6.285  18.827  -3.176
   17    HB2  HIS   3           2HB      HIS   3  -6.239  19.615  -5.462
   18    HB3  HIS   3           3HB      HIS   3  -7.384  18.293  -5.302
   19    HD1  HIS   3           1HD      HIS   3  -7.325  22.106  -5.923
   20    HD2  HIS   3           2HD      HIS   3  -9.956  18.815  -5.873
   21    HE1  HIS   3           1HE      HIS   3  -9.517  22.926  -6.919
   22    H    HIS   4           H        HIS   4  -8.703  21.257  -2.543
   23    HA   HIS   4           HA       HIS   4  -7.146  23.599  -2.834
   24    HB2  HIS   4           2HB      HIS   4  -8.805  24.677  -1.512
   25    HB3  HIS   4           3HB      HIS   4  -9.619  23.520  -2.551
   26    HD1  HIS   4           1HD      HIS   4  -9.421  24.553   0.993
   27    HD2  HIS   4           2HD      HIS   4 -10.425  21.113  -1.199
   28    HE1  HIS   4           1HE      HIS   4 -10.650  23.014   2.603
   29    H    HIS   5           H        HIS   5  -6.966  21.087  -0.395
   30    HA   HIS   5           HA       HIS   5  -5.875  20.883   1.570
   31    HB2  HIS   5           2HB      HIS   5  -3.759  22.035  -0.267
   32    HB3  HIS   5           3HB      HIS   5  -3.409  21.274   1.282
   33    HD1  HIS   5           1HD      HIS   5  -4.208  20.312  -2.276
   34    HD2  HIS   5           2HD      HIS   5  -3.949  18.613   1.567
   35    HE1  HIS   5           1HE      HIS   5  -3.980  17.789  -2.616
   36    H    HIS   6           H        HIS   6  -7.453  22.971   2.155
   37    HA   HIS   6           HA       HIS   6  -5.914  25.167   3.319
   38    HB2  HIS   6           2HB      HIS   6  -8.725  24.164   3.909
   39    HB3  HIS   6           3HB      HIS   6  -8.003  25.607   4.609
   40    HD1  HIS   6           1HD      HIS   6 -10.525  26.250   3.116
   41    HD2  HIS   6           2HD      HIS   6  -6.759  25.974   1.242
   42    HE1  HIS   6           1HE      HIS   6 -10.717  27.528   0.925
   43    H    HIS   7           H        HIS   7  -6.147  21.871   4.082
   44    HA   HIS   7           HA       HIS   7  -4.733  22.274   6.607
   45    HB2  HIS   7           2HB      HIS   7  -6.022  20.483   7.706
   46    HB3  HIS   7           3HB      HIS   7  -7.051  21.858   7.331
   47    HD1  HIS   7           1HD      HIS   7  -6.428  18.226   6.141
   48    HD2  HIS   7           2HD      HIS   7  -9.082  21.459   5.617
   49    HE1  HIS   7           1HE      HIS   7  -8.425  17.315   4.872
   50    H    HIS   8           H        HIS   8  -3.564  20.186   7.122
   51    HA   HIS   8           HA       HIS   8  -2.330  19.034   4.796
   52    HB2  HIS   8           2HB      HIS   8  -1.293  17.484   6.486
   53    HB3  HIS   8           3HB      HIS   8  -1.026  19.198   6.760
   54    HD1  HIS   8           1HD      HIS   8  -4.286  17.570   8.016
   55    HD2  HIS   8           2HD      HIS   8  -0.522  18.893   9.356
   56    HE1  HIS   8           1HE      HIS   8  -4.393  17.572  10.570
   57    H    LEU   9           H        LEU   9  -2.589  16.973   3.904
   58    HA   LEU   9           HA       LEU   9  -5.224  15.736   4.249
   59    HB2  LEU   9           2HB      LEU   9  -4.337  16.120   2.004
   60    HB3  LEU   9           3HB      LEU   9  -2.927  15.119   2.349
   61    HG   LEU   9           HG       LEU   9  -4.316  13.114   2.488
   62   HD11  LEU   9          1HD1      LEU   9  -6.373  13.946   3.493
   63   HD12  LEU   9          2HD1      LEU   9  -6.704  14.957   2.063
   64   HD13  LEU   9          3HD1      LEU   9  -6.750  13.184   1.949
   65   HD21  LEU   9          3HD2      LEU   9  -5.089  12.994   0.175
   66   HD22  LEU   9          1HD2      LEU   9  -5.047  14.768   0.046
   67   HD23  LEU   9          2HD2      LEU   9  -3.543  13.851   0.274
   68    H    ASP  10           H        ASP  10  -4.639  15.308   6.545
   69    HA   ASP  10           HA       ASP  10  -2.645  13.453   7.360
   70    HB2  ASP  10           2HB      ASP  10  -3.894  14.949   8.886
   71    HB3  ASP  10           3HB      ASP  10  -5.369  14.019   8.598
   72    H    SER  11           H        SER  11  -2.820  11.171   7.905
   73    HA   SER  11           HA       SER  11  -3.994   9.619   5.894
   74    HB2  SER  11           2HB      SER  11  -3.039   8.680   8.617
   75    HB3  SER  11           3HB      SER  11  -3.091   7.755   7.105
   76    HG   SER  11           HG       SER  11  -0.991   8.594   7.599
   77    H    TYR  12           H        TYR  12  -5.274  10.450   9.128
   78    HA   TYR  12           HA       TYR  12  -6.938   8.176   9.277
   79    HB2  TYR  12           2HB      TYR  12  -6.149  10.166  11.018
   80    HB3  TYR  12           3HB      TYR  12  -7.865  10.495  10.843
   81    HD1  TYR  12           1HD      TYR  12  -5.280   8.095  11.857
   82    HD2  TYR  12           2HD      TYR  12  -9.529   8.791  11.632
   83    HE1  TYR  12           1HE      TYR  12  -5.654   6.174  13.353
   84    HE2  TYR  12           2HE      TYR  12  -9.932   6.853  13.119
   85    HH   TYR  12           HH       TYR  12  -7.253   4.866  14.478
   86    H    ALA  13           H        ALA  13  -9.006   7.769   8.846
   87    HA   ALA  13           HA       ALA  13 -11.033   9.711   8.442
   88    HB1  ALA  13           3HB      ALA  13 -10.157   9.751   6.122
   89    HB2  ALA  13           1HB      ALA  13 -10.244   7.981   6.041
   90    HB3  ALA  13           2HB      ALA  13 -11.728   8.939   6.166
   91    HA   PRO  14           HA       PRO  14 -13.234   6.277  10.245
   92    HB2  PRO  14           2HB      PRO  14 -15.385   6.758   8.171
   93    HB3  PRO  14           3HB      PRO  14 -15.558   6.515   9.937
   94    HG2  PRO  14           2HG      PRO  14 -15.679   9.010   8.889
   95    HG3  PRO  14           3HG      PRO  14 -14.747   8.715  10.393
   96    HD2  PRO  14           2HD      PRO  14 -13.715   9.010   7.568
   97    HD3  PRO  14           3HD      PRO  14 -13.066   9.679   9.097
   98    H    ARG  15           H        ARG  15 -13.061   6.332   6.693
   99    HA   ARG  15           HA       ARG  15 -12.165   3.546   6.678
  100    HB2  ARG  15           2HB      ARG  15 -14.605   3.435   6.105
  101    HB3  ARG  15           3HB      ARG  15 -14.338   4.583   4.785
  102    HG2  ARG  15           2HG      ARG  15 -12.770   2.978   3.705
  103    HG3  ARG  15           3HG      ARG  15 -13.022   1.829   5.026
  104    HD2  ARG  15           2HD      ARG  15 -15.190   2.869   3.151
  105    HD3  ARG  15           3HD      ARG  15 -14.336   1.327   2.961
  106    HE   ARG  15           HE       ARG  15 -15.367   1.278   5.544
  107   HH11  ARG  15          1HH1      ARG  15 -16.702   1.466   2.262
  108   HH12  ARG  15          2HH1      ARG  15 -18.190   0.696   2.666
  109   HH21  ARG  15          1HH2      ARG  15 -17.357   0.259   6.093
  110   HH22  ARG  15          2HH2      ARG  15 -18.565  -0.008   4.896
  111    H    ALA  16           H        ALA  16 -10.403   3.462   5.359
  112    HA   ALA  16           HA       ALA  16  -9.751   5.726   3.546
  113    HB1  ALA  16           3HB      ALA  16  -7.889   4.765   5.758
  114    HB2  ALA  16           1HB      ALA  16  -7.694   6.175   4.706
  115    HB3  ALA  16           2HB      ALA  16  -8.945   6.177   5.958
  116    H    GLU  17           H        GLU  17 -10.363   2.714   3.446
  117    HA   GLU  17           HA       GLU  17  -7.864   1.712   2.191
  118    HB2  GLU  17           2HB      GLU  17  -9.837   0.075   3.844
  119    HB3  GLU  17           3HB      GLU  17  -8.296  -0.435   3.183
  120    HG2  GLU  17           2HG      GLU  17  -7.876  -0.157   5.459
  121    HG3  GLU  17           3HG      GLU  17  -7.168   1.263   4.689
  122    H    ALA  18           H        ALA  18  -8.196  -0.001   0.628
  123    HA   ALA  18           HA       ALA  18 -10.841  -0.680  -0.345
  124    HB1  ALA  18           3HB      ALA  18  -8.899   0.894  -2.100
  125    HB2  ALA  18           1HB      ALA  18 -10.362   0.072  -2.684
  126    HB3  ALA  18           2HB      ALA  18 -10.500   1.439  -1.567
  127    H    GLU  19           H        GLU  19 -10.393  -2.201  -2.409
  128    HA   GLU  19           HA       GLU  19  -7.937  -3.788  -2.019
  129    HB2  GLU  19           2HB      GLU  19  -9.696  -4.585  -0.403
  130    HB3  GLU  19           3HB      GLU  19 -10.778  -4.873  -1.768
  131    HG2  GLU  19           2HG      GLU  19  -9.110  -6.543  -2.662
  132    HG3  GLU  19           3HG      GLU  19  -8.121  -6.266  -1.225
  133    H    LYS  20           H        LYS  20  -7.424  -5.064  -3.859
  134    HA   LYS  20           HA       LYS  20  -9.191  -5.100  -6.173
  135    HB2  LYS  20           2HB      LYS  20  -8.013  -2.808  -6.141
  136    HB3  LYS  20           3HB      LYS  20  -6.498  -3.664  -6.324
  137    HG2  LYS  20           2HG      LYS  20  -7.343  -2.655  -8.411
  138    HG3  LYS  20           3HG      LYS  20  -7.078  -4.375  -8.553
  139    HD2  LYS  20           2HD      LYS  20  -9.146  -3.676  -9.695
  140    HD3  LYS  20           3HD      LYS  20  -9.476  -4.831  -8.421
  141    HE2  LYS  20           2HE      LYS  20 -11.176  -3.148  -8.360
  142    HE3  LYS  20           3HE      LYS  20 -10.188  -2.956  -6.909
  143    HZ1  LYS  20           3HZ      LYS  20  -9.797  -1.338  -9.371
  144    HZ2  LYS  20           1HZ      LYS  20 -10.732  -0.850  -8.100
  145    HZ3  LYS  20           2HZ      LYS  20  -9.106  -1.059  -7.963
  146    H    THR  21           H        THR  21  -7.866  -6.235  -8.053
  147    HA   THR  21           HA       THR  21  -6.098  -8.337  -6.923
  148    HB   THR  21           HB       THR  21  -7.259  -9.781  -8.719
  149    HG1  THR  21           1HG      THR  21  -8.430  -8.236  -9.828
  150   HG21  THR  21          3HG2      THR  21  -9.134 -10.355  -7.232
  151   HG22  THR  21          1HG2      THR  21  -7.647 -10.087  -6.314
  152   HG23  THR  21          2HG2      THR  21  -8.911  -8.840  -6.328
  153    H    PHE  22           H        PHE  22  -4.381  -8.981  -8.265
  154    HA   PHE  22           HA       PHE  22  -3.912  -7.378 -10.722
  155    HB2  PHE  22           2HB      PHE  22  -2.004  -7.452  -8.349
  156    HB3  PHE  22           3HB      PHE  22  -1.681  -6.708  -9.900
  157    HD1  PHE  22           1HD      PHE  22  -3.086  -4.698 -10.654
  158    HD2  PHE  22           2HD      PHE  22  -3.146  -6.238  -6.628
  159    HE1  PHE  22           1HE      PHE  22  -3.954  -2.522  -9.833
  160    HE2  PHE  22           2HE      PHE  22  -3.982  -4.056  -5.809
  161    HZ   PHE  22           HZ       PHE  22  -4.392  -2.190  -7.408
  162    H    SER  23           H        SER  23  -1.855  -8.073 -11.780
  163    HA   SER  23           HA       SER  23  -0.623 -10.572 -11.123
  164    HB2  SER  23           2HB      SER  23  -2.231 -10.338 -13.713
  165    HB3  SER  23           3HB      SER  23  -1.109 -11.650 -13.310
  166    HG   SER  23           HG       SER  23  -3.007 -11.162 -11.383
  167    H    TYR  24           H        TYR  24   1.044 -10.954 -13.083
  168    HA   TYR  24           HA       TYR  24   2.066  -8.380 -14.114
  169    HB2  TYR  24           2HB      TYR  24   3.705 -10.446 -12.635
  170    HB3  TYR  24           3HB      TYR  24   4.265  -8.880 -13.186
  171    HD1  TYR  24           2HD      TYR  24   3.085  -6.765 -12.119
  172    HD2  TYR  24           1HD      TYR  24   2.964 -10.727 -10.436
  173    HE1  TYR  24           2HE      TYR  24   2.458  -5.811  -9.921
  174    HE2  TYR  24           1HE      TYR  24   2.281  -9.788  -8.237
  175    HH   TYR  24           HH       TYR  24   1.875  -6.259  -7.711
  176    HA   PRO  25           HA       PRO  25   4.696  -8.539 -15.202
  177    HB2  PRO  25           2HB      PRO  25   5.608  -8.180 -17.719
  178    HB3  PRO  25           3HB      PRO  25   6.020  -9.628 -16.758
  179    HG2  PRO  25           2HG      PRO  25   3.803  -9.350 -18.820
  180    HG3  PRO  25           3HG      PRO  25   5.090 -10.600 -18.747
  181    HD2  PRO  25           2HD      PRO  25   2.611 -11.019 -17.686
  182    HD3  PRO  25           3HD      PRO  25   4.081 -11.664 -16.904
  183    H    LEU  26           H        LEU  26   1.590  -8.358 -16.435
  184    HA   LEU  26           HA       LEU  26   1.282  -5.961 -17.744
  185    HB2  LEU  26           2HB      LEU  26  -0.564  -7.470 -17.114
  186    HB3  LEU  26           3HB      LEU  26  -0.335  -7.057 -15.412
  187    HG   LEU  26           HG       LEU  26  -0.970  -4.694 -15.904
  188   HD11  LEU  26          1HD1      LEU  26  -2.082  -4.159 -18.057
  189   HD12  LEU  26          2HD1      LEU  26  -0.373  -4.514 -18.289
  190   HD13  LEU  26          3HD1      LEU  26  -1.590  -5.741 -18.701
  191   HD21  LEU  26          3HD2      LEU  26  -3.002  -6.776 -16.805
  192   HD22  LEU  26          1HD2      LEU  26  -2.645  -6.325 -15.125
  193   HD23  LEU  26          2HD2      LEU  26  -3.369  -5.138 -16.222
  194    H    ASP  27           H        ASP  27   1.601  -3.848 -17.311
  195    HA   ASP  27           HA       ASP  27   3.508  -3.119 -15.461
  196    HB2  ASP  27           2HB      ASP  27   3.086  -1.916 -17.531
  197    HB3  ASP  27           3HB      ASP  27   1.508  -1.379 -16.940
  198    H    LEU  28           H        LEU  28   3.534  -2.685 -13.381
  199    HA   LEU  28           HA       LEU  28   1.690  -0.961 -12.052
  200    HB2  LEU  28           2HB      LEU  28   0.628  -3.366 -11.839
  201    HB3  LEU  28           3HB      LEU  28   2.058  -3.765 -10.902
  202    HG   LEU  28           HG       LEU  28   1.404  -1.781  -9.355
  203   HD11  LEU  28          1HD1      LEU  28  -1.264  -2.144 -10.801
  204   HD12  LEU  28          2HD1      LEU  28  -0.956  -1.120  -9.382
  205   HD13  LEU  28          3HD1      LEU  28  -0.215  -0.720 -10.935
  206   HD21  LEU  28          3HD2      LEU  28  -0.283  -3.154  -8.151
  207   HD22  LEU  28          1HD2      LEU  28  -0.399  -4.226  -9.564
  208   HD23  LEU  28          2HD2      LEU  28   1.124  -4.095  -8.659
  209    H    LEU  29           H        LEU  29   2.893  -0.213 -10.021
  210    HA   LEU  29           HA       LEU  29   5.455  -1.568  -9.515
  211    HB2  LEU  29           2HB      LEU  29   5.957   0.130 -11.293
  212    HB3  LEU  29           3HB      LEU  29   5.317   1.389 -10.243
  213    HG   LEU  29           HG       LEU  29   7.130   0.860  -8.568
  214   HD11  LEU  29          1HD1      LEU  29   9.076  -0.494  -9.320
  215   HD12  LEU  29          2HD1      LEU  29   7.634  -1.481  -9.114
  216   HD13  LEU  29          3HD1      LEU  29   8.154  -1.012 -10.748
  217   HD21  LEU  29          3HD2      LEU  29   8.118   1.498 -11.378
  218   HD22  LEU  29          1HD2      LEU  29   7.402   2.658 -10.241
  219   HD23  LEU  29          2HD2      LEU  29   8.947   1.889  -9.855
  220    H    LEU  30           H        LEU  30   6.058  -1.421  -7.423
  221    HA   LEU  30           HA       LEU  30   4.636   0.336  -5.502
  222    HB2  LEU  30           2HB      LEU  30   4.864  -2.694  -5.568
  223    HB3  LEU  30           3HB      LEU  30   5.028  -1.873  -4.043
  224    HG   LEU  30           HG       LEU  30   2.781  -0.889  -4.243
  225   HD11  LEU  30          1HD1      LEU  30   2.326  -0.812  -6.616
  226   HD12  LEU  30          2HD1      LEU  30   2.603  -2.558  -6.791
  227   HD13  LEU  30          3HD1      LEU  30   1.184  -1.945  -5.918
  228   HD21  LEU  30          3HD2      LEU  30   3.123  -3.050  -3.064
  229   HD22  LEU  30          1HD2      LEU  30   1.525  -2.942  -3.806
  230   HD23  LEU  30          2HD2      LEU  30   2.799  -3.914  -4.577
  231    H    LYS  31           H        LYS  31   6.088   0.847  -3.661
  232    HA   LYS  31           HA       LYS  31   8.842  -0.186  -3.805
  233    HB2  LYS  31           2HB      LYS  31   9.960   1.769  -4.192
  234    HB3  LYS  31           3HB      LYS  31   8.629   1.918  -5.316
  235    HG2  LYS  31           2HG      LYS  31   8.940   3.349  -2.634
  236    HG3  LYS  31           3HG      LYS  31   9.189   4.025  -4.232
  237    HD2  LYS  31           2HD      LYS  31   6.758   3.732  -4.733
  238    HD3  LYS  31           3HD      LYS  31   6.514   3.078  -3.119
  239    HE2  LYS  31           2HE      LYS  31   5.840   5.387  -3.117
  240    HE3  LYS  31           3HE      LYS  31   7.282   5.207  -2.116
  241    HZ1  LYS  31           3HZ      LYS  31   7.252   6.256  -4.898
  242    HZ2  LYS  31           1HZ      LYS  31   7.404   7.155  -3.552
  243    HZ3  LYS  31           2HZ      LYS  31   8.588   6.118  -3.963
  244    H    LEU  32           H        LEU  32  10.101   0.295  -1.840
  245    HA   LEU  32           HA       LEU  32   8.438   0.474   0.573
  246    HB2  LEU  32           2HB      LEU  32  10.228  -1.132   0.534
  247    HB3  LEU  32           3HB      LEU  32  11.406   0.086   0.040
  248    HG   LEU  32           HG       LEU  32  11.340   1.154   2.214
  249   HD11  LEU  32          1HD1      LEU  32   9.204  -0.892   2.944
  250   HD12  LEU  32          2HD1      LEU  32  10.068   0.159   4.099
  251   HD13  LEU  32          3HD1      LEU  32   9.010   0.872   2.896
  252   HD21  LEU  32          3HD2      LEU  32  12.838  -0.784   1.914
  253   HD22  LEU  32          1HD2      LEU  32  12.253  -0.705   3.582
  254   HD23  LEU  32          2HD2      LEU  32  11.558  -1.888   2.454
  255    H    HIS  33           H        HIS  33   7.954   2.395   1.545
  256    HA   HIS  33           HA       HIS  33   9.935   4.514   1.751
  257    HB2  HIS  33           2HB      HIS  33   8.796   5.042  -0.405
  258    HB3  HIS  33           3HB      HIS  33   7.240   5.022   0.420
  259    HD1  HIS  33           1HD      HIS  33   6.640   7.255   1.828
  260    HD2  HIS  33           2HD      HIS  33  10.499   7.103   0.147
  261    HE1  HIS  33           1HE      HIS  33   7.627   9.582   2.097
  262    H    ASP  34           H        ASP  34   9.514   5.793   3.602
  263    HA   ASP  34           HA       ASP  34   8.922   5.988   5.775
  264    HB2  ASP  34           2HB      ASP  34   7.307   7.431   4.622
  265    HB3  ASP  34           3HB      ASP  34   6.143   6.106   4.566
  266    H    GLU  35           H        GLU  35   9.555   3.487   5.298
  267    HA   GLU  35           HA       GLU  35   9.573   1.408   6.003
  268    HB2  GLU  35           2HB      GLU  35   8.124   2.737   8.301
  269    HB3  GLU  35           3HB      GLU  35   8.319   1.002   8.295
  270    HG2  GLU  35           2HG      GLU  35  10.849   1.497   7.774
  271    HG3  GLU  35           3HG      GLU  35  10.476   3.121   8.353
  272    H    ARG  36           H        ARG  36   6.745   2.352   4.520
  273    HA   ARG  36           HA       ARG  36   5.835  -0.502   4.647
  274    HB2  ARG  36           2HB      ARG  36   4.089   1.939   4.119
  275    HB3  ARG  36           3HB      ARG  36   3.588   0.250   4.050
  276    HG2  ARG  36           2HG      ARG  36   4.270   0.101   6.550
  277    HG3  ARG  36           3HG      ARG  36   4.392   1.857   6.498
  278    HD2  ARG  36           2HD      ARG  36   2.225   1.358   7.323
  279    HD3  ARG  36           3HD      ARG  36   2.023   1.955   5.680
  280    HE   ARG  36           HE       ARG  36   1.555  -0.297   4.912
  281   HH11  ARG  36          1HH1      ARG  36   1.191   0.078   8.409
  282   HH12  ARG  36          2HH1      ARG  36   0.818  -1.587   8.686
  283   HH21  ARG  36          1HH2      ARG  36   0.733  -2.342   5.223
  284   HH22  ARG  36          2HH2      ARG  36   0.552  -3.041   6.808
  285    H    VAL  37           H        VAL  37   4.936  -1.311   2.576
  286    HA   VAL  37           HA       VAL  37   6.349  -0.078   0.283
  287    HB   VAL  37           HB       VAL  37   4.645  -2.572   0.534
  288   HG11  VAL  37          1HG1      VAL  37   4.313  -1.580  -1.700
  289   HG12  VAL  37          2HG1      VAL  37   6.072  -1.438  -1.907
  290   HG13  VAL  37          3HG1      VAL  37   5.307  -3.041  -1.801
  291   HG21  VAL  37          3HG2      VAL  37   6.802  -3.692   0.013
  292   HG22  VAL  37          1HG2      VAL  37   7.618  -2.120  -0.018
  293   HG23  VAL  37          2HG2      VAL  37   6.926  -2.734   1.493
  294    H    LEU  38           H        LEU  38   5.386   1.322  -1.098
  295    HA   LEU  38           HA       LEU  38   2.492   1.930  -0.745
  296    HB2  LEU  38           2HB      LEU  38   4.604   3.894  -1.677
  297    HB3  LEU  38           3HB      LEU  38   2.923   4.223  -1.298
  298    HG   LEU  38           HG       LEU  38   5.169   3.619   0.655
  299   HD11  LEU  38          1HD1      LEU  38   5.131   5.899  -0.345
  300   HD12  LEU  38          2HD1      LEU  38   3.464   6.111   0.226
  301   HD13  LEU  38          3HD1      LEU  38   4.789   5.925   1.394
  302   HD21  LEU  38          3HD2      LEU  38   3.185   2.647   1.636
  303   HD22  LEU  38          1HD2      LEU  38   3.535   4.158   2.463
  304   HD23  LEU  38          2HD2      LEU  38   2.227   4.109   1.258
  305    H    VAL  39           H        VAL  39   1.403   2.458  -2.755
  306    HA   VAL  39           HA       VAL  39   2.455   1.151  -5.120
  307    HB   VAL  39           HB       VAL  39   0.105   3.034  -4.775
  308   HG11  VAL  39          1HG1      VAL  39   0.726   2.952  -7.117
  309   HG12  VAL  39          2HG1      VAL  39   0.882   1.178  -7.071
  310   HG13  VAL  39          3HG1      VAL  39  -0.703   1.947  -6.913
  311   HG21  VAL  39          3HG2      VAL  39   0.221  -0.016  -4.776
  312   HG22  VAL  39          1HG2      VAL  39  -0.189   1.021  -3.392
  313   HG23  VAL  39          2HG2      VAL  39  -1.267   0.949  -4.781
  314    H    ALA  40           H        ALA  40   3.901   1.979  -6.521
  315    HA   ALA  40           HA       ALA  40   4.641   4.832  -6.456
  316    HB1  ALA  40           3HB      ALA  40   6.427   4.189  -7.943
  317    HB2  ALA  40           1HB      ALA  40   6.358   2.919  -6.700
  318    HB3  ALA  40           2HB      ALA  40   5.659   2.636  -8.296
  319    H    PHE  41           H        PHE  41   3.078   2.400  -8.564
  320    HA   PHE  41           HA       PHE  41   1.677   4.542 -10.008
  321    HB2  PHE  41           2HB      PHE  41   3.748   4.204 -11.332
  322    HB3  PHE  41           3HB      PHE  41   3.387   2.485 -11.466
  323    HD1  PHE  41           1HD      PHE  41   1.549   1.681 -12.928
  324    HD2  PHE  41           2HD      PHE  41   2.420   5.894 -12.556
  325    HE1  PHE  41           1HE      PHE  41   0.079   2.159 -14.865
  326    HE2  PHE  41           2HE      PHE  41   0.965   6.360 -14.512
  327    HZ   PHE  41           HZ       PHE  41  -0.219   4.499 -15.662
  328    H    GLY  42           H        GLY  42  -0.355   3.950 -10.317
  329    HA2  GLY  42           2HA      GLY  42  -1.120   1.337 -11.270
  330    HA3  GLY  42           3HA      GLY  42  -1.742   1.682  -9.641
  331    H    GLN  43           H        GLN  43  -1.181   4.200 -12.115
  332    HA   GLN  43           HA       GLN  43  -3.639   5.459 -11.505
  333    HB2  GLN  43           2HB      GLN  43  -1.804   5.858 -13.897
  334    HB3  GLN  43           3HB      GLN  43  -3.131   6.925 -13.433
  335    HG2  GLN  43           2HG      GLN  43  -2.033   7.373 -11.249
  336    HG3  GLN  43           3HG      GLN  43  -0.694   6.321 -11.709
  337   HE21  GLN  43          2HE2      GLN  43   0.872   8.047 -11.549
  338   HE22  GLN  43          1HE2      GLN  43   0.931   9.324 -12.732
  339    H    ARG  44           H        ARG  44  -2.894   3.036 -13.966
  340    HA   ARG  44           HA       ARG  44  -5.167   3.424 -15.621
  341    HB2  ARG  44           2HB      ARG  44  -4.820   1.124 -16.371
  342    HB3  ARG  44           3HB      ARG  44  -3.314   2.037 -16.334
  343    HG2  ARG  44           2HG      ARG  44  -2.640   0.910 -14.243
  344    HG3  ARG  44           3HG      ARG  44  -4.184   0.040 -14.188
  345    HD2  ARG  44           2HD      ARG  44  -3.645  -1.107 -16.305
  346    HD3  ARG  44           3HD      ARG  44  -2.151  -0.176 -16.445
  347    HE   ARG  44           HE       ARG  44  -1.106  -1.505 -14.906
  348   HH11  ARG  44          1HH1      ARG  44  -4.573  -2.332 -14.792
  349   HH12  ARG  44          2HH1      ARG  44  -4.339  -3.686 -13.755
  350   HH21  ARG  44          1HH2      ARG  44  -0.796  -3.215 -13.625
  351   HH22  ARG  44          2HH2      ARG  44  -2.093  -4.247 -13.070
  352    H    ASP  45           H        ASP  45  -4.943   1.965 -12.391
  353    HA   ASP  45           HA       ASP  45  -7.707   0.893 -12.638
  354    HB2  ASP  45           2HB      ASP  45  -6.051  -0.515 -11.492
  355    HB3  ASP  45           3HB      ASP  45  -5.732   0.784 -10.329
  356    H    GLY  46           H        GLY  46  -5.785   3.383 -10.844
  357    HA2  GLY  46           2HA      GLY  46  -7.652   5.396 -10.870
  358    HA3  GLY  46           3HA      GLY  46  -8.086   4.443  -9.445
  359    H    ILE  47           H        ILE  47  -7.494   6.484  -8.337
  360    HA   ILE  47           HA       ILE  47  -4.817   7.467  -8.306
  361    HB   ILE  47           HB       ILE  47  -5.642   8.926  -6.495
  362   HG12  ILE  47          2HG1      ILE  47  -8.310   7.449  -6.741
  363   HG13  ILE  47          3HG1      ILE  47  -7.188   7.260  -5.394
  364   HG21  ILE  47          1HG2      ILE  47  -7.620   8.748  -8.808
  365   HG22  ILE  47          2HG2      ILE  47  -7.167  10.188  -7.876
  366   HG23  ILE  47          3HG2      ILE  47  -5.980   9.418  -8.926
  367   HD11  ILE  47          3HD1      ILE  47  -8.652   9.814  -6.158
  368   HD12  ILE  47          1HD1      ILE  47  -8.923   8.790  -4.740
  369   HD13  ILE  47          2HD1      ILE  47  -7.406   9.699  -4.889
  370    H    ARG  48           H        ARG  48  -4.684   4.673  -7.729
  371    HA   ARG  48           HA       ARG  48  -4.339   4.084  -4.926
  372    HB2  ARG  48           2HB      ARG  48  -3.382   2.823  -7.530
  373    HB3  ARG  48           3HB      ARG  48  -2.707   2.320  -5.991
  374    HG2  ARG  48           2HG      ARG  48  -4.341   0.765  -6.488
  375    HG3  ARG  48           3HG      ARG  48  -4.929   1.720  -5.138
  376    HD2  ARG  48           2HD      ARG  48  -5.791   2.197  -8.028
  377    HD3  ARG  48           3HD      ARG  48  -6.577   1.038  -6.945
  378    HE   ARG  48           HE       ARG  48  -6.429   3.609  -5.697
  379   HH11  ARG  48          1HH1      ARG  48  -8.266   1.729  -8.099
  380   HH12  ARG  48          2HH1      ARG  48  -9.716   2.663  -7.910
  381   HH21  ARG  48          1HH2      ARG  48  -8.394   4.793  -5.394
  382   HH22  ARG  48          2HH2      ARG  48  -9.785   4.425  -6.334
  383    H    VAL  49           H        VAL  49  -2.274   5.820  -7.186
  384    HA   VAL  49           HA       VAL  49   0.257   5.362  -6.225
  385    HB   VAL  49           HB       VAL  49  -0.926   8.052  -7.042
  386   HG11  VAL  49          1HG1      VAL  49   1.395   8.574  -7.786
  387   HG12  VAL  49          2HG1      VAL  49   1.304   8.344  -6.040
  388   HG13  VAL  49          3HG1      VAL  49   1.961   7.051  -7.067
  389   HG21  VAL  49          3HG2      VAL  49   0.351   5.843  -8.713
  390   HG22  VAL  49          1HG2      VAL  49  -1.349   6.370  -8.792
  391   HG23  VAL  49          2HG2      VAL  49  -0.069   7.464  -9.307
  392    H    GLY  50           H        GLY  50   1.354   5.669  -4.383
  393    HA2  GLY  50           2HA      GLY  50   2.081   6.696  -2.470
  394    HA3  GLY  50           3HA      GLY  50   0.746   7.852  -2.559
  395    H    HIS  51           H        HIS  51  -0.844   4.929  -2.778
  396    HA   HIS  51           HA       HIS  51  -1.570   5.025   0.072
  397    HB2  HIS  51           2HB      HIS  51  -2.582   3.318  -2.240
  398    HB3  HIS  51           3HB      HIS  51  -3.138   3.179  -0.583
  399    HD1  HIS  51           1HD      HIS  51  -3.029   6.006  -3.280
  400    HD2  HIS  51           2HD      HIS  51  -5.033   4.767   0.203
  401    HE1  HIS  51           1HE      HIS  51  -4.965   7.623  -2.957
  402    H    ALA  52           H        ALA  52  -1.265   3.318   1.492
  403    HA   ALA  52           HA       ALA  52   1.247   1.829   1.100
  404    HB1  ALA  52           3HB      ALA  52   0.961   1.398   3.532
  405    HB2  ALA  52           1HB      ALA  52   0.863   3.139   3.194
  406    HB3  ALA  52           2HB      ALA  52  -0.623   2.207   3.494
  407    H    VAL  53           H        VAL  53   1.355  -0.419   1.130
  408    HA   VAL  53           HA       VAL  53  -1.054  -1.929   0.566
  409    HB   VAL  53           HB       VAL  53   1.213  -2.511  -0.289
  410   HG11  VAL  53          1HG1      VAL  53   1.820  -3.397   2.566
  411   HG12  VAL  53          2HG1      VAL  53   2.789  -3.772   1.137
  412   HG13  VAL  53          3HG1      VAL  53   2.617  -2.101   1.696
  413   HG21  VAL  53          3HG2      VAL  53  -0.664  -4.134  -0.177
  414   HG22  VAL  53          1HG2      VAL  53   0.935  -4.888  -0.126
  415   HG23  VAL  53          2HG2      VAL  53  -0.030  -4.746   1.359
  416    H    LEU  54           H        LEU  54  -2.218  -3.238   2.000
  417    HA   LEU  54           HA       LEU  54  -1.577  -3.012   4.911
  418    HB2  LEU  54           2HB      LEU  54  -4.298  -2.765   3.592
  419    HB3  LEU  54           3HB      LEU  54  -4.004  -2.881   5.325
  420    HG   LEU  54           HG       LEU  54  -3.052  -0.598   3.547
  421   HD11  LEU  54          1HD1      LEU  54  -5.294  -0.712   5.603
  422   HD12  LEU  54          2HD1      LEU  54  -4.773   0.718   4.692
  423   HD13  LEU  54          3HD1      LEU  54  -5.503  -0.654   3.838
  424   HD21  LEU  54          3HD2      LEU  54  -2.923  -0.931   6.580
  425   HD22  LEU  54          1HD2      LEU  54  -1.543  -0.832   5.465
  426   HD23  LEU  54          2HD2      LEU  54  -2.578   0.573   5.696
  427    H    ALA  55           H        ALA  55  -2.955  -5.017   2.237
  428    HA   ALA  55           HA       ALA  55  -2.043  -7.305   3.775
  429    HB1  ALA  55           3HB      ALA  55  -4.468  -7.080   4.480
  430    HB2  ALA  55           1HB      ALA  55  -4.927  -7.338   2.777
  431    HB3  ALA  55           2HB      ALA  55  -4.085  -8.603   3.672
  432    H    ILE  56           H        ILE  56  -1.900  -9.241   2.442
  433    HA   ILE  56           HA       ILE  56  -2.403  -8.932  -0.448
  434    HB   ILE  56           HB       ILE  56   0.250  -9.960   0.645
  435   HG12  ILE  56          2HG1      ILE  56  -0.216  -7.375  -0.912
  436   HG13  ILE  56          3HG1      ILE  56   0.097  -7.459   0.824
  437   HG21  ILE  56          1HG2      ILE  56   0.874 -10.104  -1.768
  438   HG22  ILE  56          2HG2      ILE  56  -0.545 -11.083  -1.431
  439   HG23  ILE  56          3HG2      ILE  56  -0.741  -9.517  -2.216
  440   HD11  ILE  56          3HD1      ILE  56   2.031  -8.200  -1.378
  441   HD12  ILE  56          1HD1      ILE  56   2.147  -6.930  -0.148
  442   HD13  ILE  56          2HD1      ILE  56   2.270  -8.632   0.333
  443    H    ASN  57           H        ASN  57  -3.252 -10.822  -1.202
  444    HA   ASN  57           HA       ASN  57  -4.353 -12.794  -1.133
  445    HB2  ASN  57           2HB      ASN  57  -1.727 -13.732   0.074
  446    HB3  ASN  57           3HB      ASN  57  -2.952 -14.786  -0.619
  447   HD21  ASN  57          2HD2      ASN  57  -0.143 -14.441  -1.462
  448   HD22  ASN  57          1HD2      ASN  57  -0.262 -14.123  -3.170
  449    H    GLY  58           H        GLY  58  -4.773 -11.077   1.211
  450    HA2  GLY  58           2HA      GLY  58  -6.349 -11.282   2.907
  451    HA3  GLY  58           3HA      GLY  58  -6.135 -13.034   2.927
  452    H    MET  59           H        MET  59  -2.990 -12.092   3.065
  453    HA   MET  59           HA       MET  59  -2.847 -12.219   6.013
  454    HB2  MET  59           2HB      MET  59  -0.700 -11.984   3.854
  455    HB3  MET  59           3HB      MET  59  -0.398 -12.071   5.588
  456    HG2  MET  59           2HG      MET  59  -1.507 -14.297   5.655
  457    HG3  MET  59           3HG      MET  59  -1.687 -14.243   3.898
  458    HE1  MET  59           3HE      MET  59   1.978 -14.508   2.591
  459    HE2  MET  59           1HE      MET  59   0.251 -14.435   2.179
  460    HE3  MET  59           2HE      MET  59   1.073 -13.003   2.833
  461    H    ASP  60           H        ASP  60  -3.268 -10.286   7.035
  462    HA   ASP  60           HA       ASP  60  -2.847  -7.664   5.938
  463    HB2  ASP  60           2HB      ASP  60  -4.315  -8.185   7.877
  464    HB3  ASP  60           3HB      ASP  60  -2.892  -8.578   8.840
  465    H    VAL  61           H        VAL  61  -0.881  -6.573   5.669
  466    HA   VAL  61           HA       VAL  61   1.496  -8.204   6.365
  467    HB   VAL  61           HB       VAL  61   2.688  -7.046   4.634
  468   HG11  VAL  61          1HG1      VAL  61   1.694  -8.124   2.771
  469   HG12  VAL  61          2HG1      VAL  61   1.245  -9.113   4.173
  470   HG13  VAL  61          3HG1      VAL  61   0.067  -8.014   3.459
  471   HG21  VAL  61          3HG2      VAL  61   1.598  -4.850   4.576
  472   HG22  VAL  61          1HG2      VAL  61   1.593  -5.628   2.986
  473   HG23  VAL  61          2HG2      VAL  61   0.106  -5.591   3.951
  474    H    ASN  62           H        ASN  62   3.199  -7.492   7.405
  475    HA   ASN  62           HA       ASN  62   2.964  -5.237   9.262
  476    HB2  ASN  62           2HB      ASN  62   3.800  -7.403  10.074
  477    HB3  ASN  62           3HB      ASN  62   5.051  -7.412   8.827
  478   HD21  ASN  62          2HD2      ASN  62   6.616  -7.633  10.590
  479   HD22  ASN  62          1HD2      ASN  62   7.106  -6.224  11.496
  480    H    GLY  63           H        GLY  63   2.805  -3.867   7.277
  481    HA2  GLY  63           2HA      GLY  63   3.598  -2.016   6.254
  482    HA3  GLY  63           3HA      GLY  63   5.138  -2.264   7.073
  483    H    ARG  64           H        ARG  64   6.270  -4.317   6.086
  484    HA   ARG  64           HA       ARG  64   6.309  -4.262   3.128
  485    HB2  ARG  64           2HB      ARG  64   8.706  -3.731   3.135
  486    HB3  ARG  64           3HB      ARG  64   7.790  -2.460   3.954
  487    HG2  ARG  64           2HG      ARG  64   8.404  -3.579   6.178
  488    HG3  ARG  64           3HG      ARG  64   9.466  -4.650   5.243
  489    HD2  ARG  64           2HD      ARG  64  10.747  -2.728   4.448
  490    HD3  ARG  64           3HD      ARG  64   9.630  -1.619   5.255
  491    HE   ARG  64           HE       ARG  64  11.704  -3.311   6.489
  492   HH11  ARG  64          1HH2      ARG  64   8.873  -1.177   7.151
  493   HH12  ARG  64          2HH2      ARG  64   9.547  -0.691   8.697
  494   HH21  ARG  64          1HH1      ARG  64  12.453  -2.545   8.577
  495   HH22  ARG  64          2HH1      ARG  64  11.460  -1.413   9.457
  496    H    TYR  65           H        TYR  65   6.160  -6.115   5.910
  497    HA   TYR  65           HA       TYR  65   7.369  -8.417   4.473
  498    HB2  TYR  65           2HB      TYR  65   7.207  -8.123   7.484
  499    HB3  TYR  65           3HB      TYR  65   8.026  -9.380   6.570
  500    HD1  TYR  65           2HD      TYR  65   9.971  -8.513   4.937
  501    HD2  TYR  65           1HD      TYR  65   8.459  -6.318   8.328
  502    HE1  TYR  65           2HE      TYR  65  12.004  -7.087   4.915
  503    HE2  TYR  65           1HE      TYR  65  10.526  -4.953   8.367
  504    HH   TYR  65           HH       TYR  65  13.191  -5.403   6.000
  505    H    THR  66           H        THR  66   5.961 -10.308   4.463
  506    HA   THR  66           HA       THR  66   3.179  -9.763   4.973
  507    HB   THR  66           HB       THR  66   2.854 -12.161   4.470
  508    HG1  THR  66           1HG      THR  66   4.621 -13.407   3.923
  509   HG21  THR  66          3HG2      THR  66   2.989 -10.538   2.615
  510   HG22  THR  66          1HG2      THR  66   4.746 -10.795   2.503
  511   HG23  THR  66          2HG2      THR  66   3.623 -12.123   2.147
  512    H    ALA  67           H        ALA  67   1.907 -11.480   6.305
  513    HA   ALA  67           HA       ALA  67   2.535 -11.349   9.072
  514    HB1  ALA  67           3HB      ALA  67   0.855 -13.338   7.474
  515    HB2  ALA  67           1HB      ALA  67   0.780 -13.120   9.239
  516    HB3  ALA  67           2HB      ALA  67   0.269 -11.801   8.162
  517    H    ASP  68           H        ASP  68   3.251 -13.774   6.560
  518    HA   ASP  68           HA       ASP  68   4.519 -15.686   8.319
  519    HB2  ASP  68           2HB      ASP  68   3.599 -16.326   6.133
  520    HB3  ASP  68           3HB      ASP  68   4.768 -15.288   5.313
  521    H    GLY  69           H        GLY  69   5.692 -12.949   6.338
  522    HA2  GLY  69           2HA      GLY  69   7.468 -11.652   7.441
  523    HA3  GLY  69           3HA      GLY  69   8.372 -13.151   7.667
  524    H    LYS  70           H        LYS  70   6.794 -13.126   4.620
  525    HA   LYS  70           HA       LYS  70   9.275 -13.057   3.126
  526    HB2  LYS  70           2HB      LYS  70   6.395 -12.717   2.153
  527    HB3  LYS  70           3HB      LYS  70   7.786 -13.133   1.162
  528    HG2  LYS  70           2HG      LYS  70   6.687 -14.919   3.381
  529    HG3  LYS  70           3HG      LYS  70   6.213 -15.027   1.692
  530    HD2  LYS  70           2HD      LYS  70   8.504 -15.533   1.010
  531    HD3  LYS  70           3HD      LYS  70   9.067 -15.377   2.696
  532    HE2  LYS  70           2HE      LYS  70   7.542 -17.222   3.361
  533    HE3  LYS  70           3HE      LYS  70   7.004 -17.387   1.685
  534    HZ1  LYS  70           3HZ      LYS  70   9.280 -17.995   1.088
  535    HZ2  LYS  70           1HZ      LYS  70   9.772 -17.844   2.642
  536    HZ3  LYS  70           2HZ      LYS  70   8.706 -19.003   2.230
  537    H    GLU  71           H        GLU  71  10.223 -11.224   2.125
  538    HA   GLU  71           HA       GLU  71   9.263  -8.580   2.813
  539    HB2  GLU  71           2HB      GLU  71  11.657  -9.103   2.396
  540    HB3  GLU  71           3HB      GLU  71  11.284  -9.461   0.701
  541    HG2  GLU  71           2HG      GLU  71  10.500  -7.130   0.378
  542    HG3  GLU  71           3HG      GLU  71  10.788  -6.783   2.084
  543    H    VAL  72           H        VAL  72   7.721  -7.453   1.779
  544    HA   VAL  72           HA       VAL  72   5.883  -8.727   0.147
  545    HB   VAL  72           HB       VAL  72   6.433  -5.853   0.884
  546   HG11  VAL  72          1HG1      VAL  72   4.235  -6.756  -0.998
  547   HG12  VAL  72          2HG1      VAL  72   4.176  -5.239  -0.065
  548   HG13  VAL  72          3HG1      VAL  72   5.445  -5.496  -1.264
  549   HG21  VAL  72          3HG2      VAL  72   4.399  -6.124   2.208
  550   HG22  VAL  72          1HG2      VAL  72   4.106  -7.723   1.493
  551   HG23  VAL  72          2HG2      VAL  72   5.494  -7.475   2.552
  552    H    LEU  73           H        LEU  73   8.559  -6.571  -0.951
  553    HA   LEU  73           HA       LEU  73   7.593  -6.471  -3.649
  554    HB2  LEU  73           2HB      LEU  73  10.419  -6.073  -2.579
  555    HB3  LEU  73           3HB      LEU  73   9.888  -5.678  -4.211
  556    HG   LEU  73           HG       LEU  73   8.842  -4.383  -1.654
  557   HD11  LEU  73          1HD1      LEU  73  10.052  -2.393  -2.407
  558   HD12  LEU  73          2HD1      LEU  73  11.164  -3.754  -2.211
  559   HD13  LEU  73          3HD1      LEU  73  10.646  -3.266  -3.840
  560   HD21  LEU  73          3HD2      LEU  73   8.200  -3.760  -4.572
  561   HD22  LEU  73          1HD2      LEU  73   7.065  -4.344  -3.334
  562   HD23  LEU  73          2HD2      LEU  73   7.767  -2.733  -3.191
  563    H    GLU  74           H        GLU  74   9.847  -8.706  -1.988
  564    HA   GLU  74           HA       GLU  74  10.522 -10.169  -4.399
  565    HB2  GLU  74           2HB      GLU  74  11.956 -10.074  -2.367
  566    HB3  GLU  74           3HB      GLU  74  10.730 -10.971  -1.459
  567    HG2  GLU  74           2HG      GLU  74  10.995 -12.903  -2.978
  568    HG3  GLU  74           3HG      GLU  74  12.136 -11.990  -3.968
  569    H    TYR  75           H        TYR  75   8.142 -10.530  -1.745
  570    HA   TYR  75           HA       TYR  75   7.090 -13.038  -2.429
  571    HB2  TYR  75           2HB      TYR  75   6.687 -11.786  -0.317
  572    HB3  TYR  75           3HB      TYR  75   5.715 -10.620  -1.188
  573    HD1  TYR  75           2HD      TYR  75   5.913 -14.351  -0.682
  574    HD2  TYR  75           1HD      TYR  75   3.388 -10.874  -1.088
  575    HE1  TYR  75           2HE      TYR  75   3.934 -15.759  -0.271
  576    HE2  TYR  75           1HE      TYR  75   1.393 -12.278  -0.682
  577    HH   TYR  75           HH       TYR  75   1.595 -15.823  -0.126
  578    H    LEU  76           H        LEU  76   6.095  -9.765  -3.541
  579    HA   LEU  76           HA       LEU  76   4.004 -10.772  -5.294
  580    HB2  LEU  76           2HB      LEU  76   5.444  -8.096  -5.057
  581    HB3  LEU  76           3HB      LEU  76   4.131  -8.390  -6.189
  582    HG   LEU  76           HG       LEU  76   3.840  -8.667  -3.157
  583   HD11  LEU  76          1HD1      LEU  76   2.980  -6.408  -5.018
  584   HD12  LEU  76          2HD1      LEU  76   2.627  -6.524  -3.279
  585   HD13  LEU  76          3HD1      LEU  76   4.298  -6.329  -3.826
  586   HD21  LEU  76          3HD2      LEU  76   1.388  -8.557  -3.717
  587   HD22  LEU  76          1HD2      LEU  76   1.830  -8.757  -5.425
  588   HD23  LEU  76          2HD2      LEU  76   2.207 -10.031  -4.240
  589    H    GLY  77           H        GLY  77   7.452  -9.888  -5.669
  590    HA2  GLY  77           2HA      GLY  77   7.535  -9.937  -8.504
  591    HA3  GLY  77           3HA      GLY  77   8.902 -10.141  -7.395
  592    H    ASN  78           H        ASN  78   7.798 -12.563  -6.108
  593    HA   ASN  78           HA       ASN  78   8.888 -14.613  -7.693
  594    HB2  ASN  78           2HB      ASN  78   8.615 -14.775  -5.275
  595    HB3  ASN  78           3HB      ASN  78   6.858 -14.702  -5.431
  596   HD21  ASN  78          2HD2      ASN  78   7.342 -16.762  -4.027
  597   HD22  ASN  78          1HD2      ASN  78   7.447 -18.255  -4.924
  598    HA   PRO  79           HA       PRO  79   5.351 -14.815 -10.463
  599    HB2  PRO  79           2HB      PRO  79   6.196 -16.597 -12.340
  600    HB3  PRO  79           3HB      PRO  79   6.773 -14.904 -12.219
  601    HG2  PRO  79           2HG      PRO  79   8.089 -17.410 -11.098
  602    HG3  PRO  79           3HG      PRO  79   8.852 -16.108 -12.067
  603    HD2  PRO  79           2HD      PRO  79   9.001 -16.167  -9.341
  604    HD3  PRO  79           3HD      PRO  79   8.860 -14.624 -10.235
  605    H    ALA  80           H        ALA  80   6.472 -17.497  -8.532
  606    HA   ALA  80           HA       ALA  80   4.283 -19.286  -9.115
  607    HB1  ALA  80           3HB      ALA  80   4.838 -20.298  -6.965
  608    HB2  ALA  80           1HB      ALA  80   6.346 -19.918  -7.822
  609    HB3  ALA  80           2HB      ALA  80   5.778 -18.875  -6.489
  610    H    ASN  81           H        ASN  81   4.422 -16.167  -7.698
  611    HA   ASN  81           HA       ASN  81   1.679 -16.306  -6.589
  612    HB2  ASN  81           2HB      ASN  81   3.392 -16.486  -4.778
  613    HB3  ASN  81           3HB      ASN  81   4.167 -15.021  -5.386
  614   HD21  ASN  81          2HD2      ASN  81   3.801 -13.476  -3.906
  615   HD22  ASN  81          1HD2      ASN  81   2.288 -13.173  -3.071
  616    H    TYR  82           H        TYR  82   2.658 -15.481  -9.268
  617    HA   TYR  82           HA       TYR  82   2.714 -12.609  -9.375
  618    HB2  TYR  82           2HB      TYR  82   2.459 -14.848 -11.330
  619    HB3  TYR  82           3HB      TYR  82   1.610 -13.394 -11.777
  620    HD1  TYR  82           1HD      TYR  82   4.694 -12.505  -9.980
  621    HD2  TYR  82           2HD      TYR  82   3.042 -13.714 -13.794
  622    HE1  TYR  82           1HE      TYR  82   6.632 -11.545 -11.131
  623    HE2  TYR  82           2HE      TYR  82   4.989 -12.753 -14.942
  624    HH   TYR  82           HH       TYR  82   7.041 -11.651 -14.701
  625    HA   PRO  83           HA       PRO  83  -1.953 -12.594  -9.985
  626    HB2  PRO  83           2HB      PRO  83  -3.537 -14.784  -9.523
  627    HB3  PRO  83           3HB      PRO  83  -2.797 -14.421 -11.110
  628    HG2  PRO  83           2HG      PRO  83  -1.800 -16.332  -8.982
  629    HG3  PRO  83           3HG      PRO  83  -1.929 -16.603 -10.748
  630    HD2  PRO  83           2HD      PRO  83   0.407 -15.894  -9.538
  631    HD3  PRO  83           3HD      PRO  83  -0.007 -15.323 -11.181
  632    H    VAL  84           H        VAL  84  -2.804 -11.483  -8.271
  633    HA   VAL  84           HA       VAL  84  -2.783 -12.670  -5.555
  634    HB   VAL  84           HB       VAL  84  -1.639 -10.588  -4.713
  635   HG11  VAL  84          1HG1      VAL  84   0.112 -12.205  -6.565
  636   HG12  VAL  84          2HG1      VAL  84   0.598 -11.340  -5.103
  637   HG13  VAL  84          3HG1      VAL  84  -0.454 -12.755  -4.975
  638   HG21  VAL  84          3HG2      VAL  84  -0.250  -9.252  -6.224
  639   HG22  VAL  84          1HG2      VAL  84  -0.853 -10.129  -7.629
  640   HG23  VAL  84          2HG2      VAL  84  -1.953  -9.111  -6.673
  641    H    SER  85           H        SER  85  -3.785 -11.285  -3.974
  642    HA   SER  85           HA       SER  85  -5.725  -9.277  -5.006
  643    HB2  SER  85           2HB      SER  85  -6.105 -11.126  -2.609
  644    HB3  SER  85           3HB      SER  85  -7.291 -10.003  -3.298
  645    HG   SER  85           HG       SER  85  -7.642 -12.202  -3.912
  646    H    ILE  86           H        ILE  86  -5.587  -7.316  -3.795
  647    HA   ILE  86           HA       ILE  86  -3.668  -7.268  -1.524
  648    HB   ILE  86           HB       ILE  86  -3.553  -5.413  -3.940
  649   HG12  ILE  86          2HG1      ILE  86  -1.718  -7.708  -3.137
  650   HG13  ILE  86          3HG1      ILE  86  -2.665  -7.575  -4.616
  651   HG21  ILE  86          1HG2      ILE  86  -1.686  -5.638  -1.546
  652   HG22  ILE  86          2HG2      ILE  86  -1.566  -4.453  -2.866
  653   HG23  ILE  86          3HG2      ILE  86  -2.906  -4.368  -1.742
  654   HD11  ILE  86          3HD1      ILE  86  -1.243  -5.559  -5.243
  655   HD12  ILE  86          1HD1      ILE  86  -0.183  -5.995  -3.879
  656   HD13  ILE  86          2HD1      ILE  86  -0.413  -7.126  -5.212
  657    H    ARG  87           H        ARG  87  -4.272  -5.896   0.040
  658    HA   ARG  87           HA       ARG  87  -6.575  -4.043  -0.413
  659    HB2  ARG  87           2HB      ARG  87  -7.124  -5.809   1.240
  660    HB3  ARG  87           3HB      ARG  87  -5.670  -5.392   2.162
  661    HG2  ARG  87           2HG      ARG  87  -6.557  -3.221   2.752
  662    HG3  ARG  87           3HG      ARG  87  -7.920  -3.421   1.649
  663    HD2  ARG  87           2HD      ARG  87  -8.596  -3.758   3.995
  664    HD3  ARG  87           3HD      ARG  87  -8.882  -5.168   2.986
  665    HE   ARG  87           HE       ARG  87  -7.393  -6.406   4.176
  666   HH11  ARG  87          1HH1      ARG  87  -7.056  -3.039   5.268
  667   HH12  ARG  87          2HH1      ARG  87  -6.107  -3.453   6.652
  668   HH21  ARG  87          1HH2      ARG  87  -6.202  -6.931   6.057
  669   HH22  ARG  87          2HH2      ARG  87  -5.429  -5.697   6.993
  670    H    PHE  88           H        PHE  88  -6.109  -1.897   0.066
  671    HA   PHE  88           HA       PHE  88  -3.502  -1.175   1.224
  672    HB2  PHE  88           2HB      PHE  88  -3.138   0.387  -0.780
  673    HB3  PHE  88           3HB      PHE  88  -2.807  -1.313  -1.021
  674    HD1  PHE  88           2HD      PHE  88  -5.555   1.234  -1.528
  675    HD2  PHE  88           1HD      PHE  88  -3.685  -2.411  -2.900
  676    HE1  PHE  88           2HE      PHE  88  -7.112   1.152  -3.456
  677    HE2  PHE  88           1HE      PHE  88  -5.291  -2.511  -4.781
  678    HZ   PHE  88           HZ       PHE  88  -7.013  -0.741  -5.062
  679    H    GLY  89           H        GLY  89  -3.450   1.309   1.472
  680    HA2  GLY  89           2HA      GLY  89  -5.880   2.813   1.336
  681    HA3  GLY  89           3HA      GLY  89  -5.694   2.104   2.949
  682    H    ARG  90           H        ARG  90  -5.678   4.575   3.313
  683    HA   ARG  90           HA       ARG  90  -3.188   5.987   2.887
  684    HB2  ARG  90           2HB      ARG  90  -5.250   6.286   5.115
  685    HB3  ARG  90           3HB      ARG  90  -3.951   7.420   4.782
  686    HG2  ARG  90           2HG      ARG  90  -6.277   6.771   2.918
  687    HG3  ARG  90           3HG      ARG  90  -6.121   8.202   3.914
  688    HD2  ARG  90           2HD      ARG  90  -4.428   7.420   1.508
  689    HD3  ARG  90           3HD      ARG  90  -5.579   8.743   1.601
  690    HE   ARG  90           HE       ARG  90  -2.830   8.806   2.281
  691   HH11  ARG  90          1HH1      ARG  90  -5.902  10.188   3.413
  692   HH12  ARG  90          2HH1      ARG  90  -5.146  11.413   4.377
  693   HH21  ARG  90          1HH2      ARG  90  -1.854  10.588   3.340
  694   HH22  ARG  90          2HH2      ARG  90  -2.831  11.820   4.061
  695    HA   PRO  91           HA       PRO  91  -0.486   3.704   5.505
  696    HB2  PRO  91           2HB      PRO  91   0.398   6.357   6.653
  697    HB3  PRO  91           3HB      PRO  91   1.401   4.990   6.077
  698    HG2  PRO  91           2HG      PRO  91   1.021   7.176   4.512
  699    HG3  PRO  91           3HG      PRO  91   0.962   5.535   3.795
  700    HD2  PRO  91           2HD      PRO  91  -1.339   7.338   4.556
  701    HD3  PRO  91           3HD      PRO  91  -1.129   6.291   3.118
  702    H    ARG  92           H        ARG  92  -0.585   2.706   7.466
  703    HA   ARG  92           HA       ARG  92  -1.438   4.083   9.889
  704    HB2  ARG  92           2HB      ARG  92  -2.810   1.510   8.954
  705    HB3  ARG  92           3HB      ARG  92  -2.961   2.240  10.552
  706    HG2  ARG  92           2HG      ARG  92  -3.985   4.290   9.438
  707    HG3  ARG  92           3HG      ARG  92  -4.001   3.362   7.924
  708    HD2  ARG  92           2HD      ARG  92  -5.303   1.563   9.153
  709    HD3  ARG  92           3HD      ARG  92  -5.451   2.667  10.517
  710    HE   ARG  92           HE       ARG  92  -6.868   2.711   7.945
  711   HH11  ARG  92          1HH1      ARG  92  -6.158   4.719  10.798
  712   HH12  ARG  92          2HH1      ARG  92  -7.635   5.602  10.682
  713   HH21  ARG  92          1HH2      ARG  92  -8.670   3.773   7.780
  714   HH22  ARG  92          2HH2      ARG  92  -9.168   5.086   8.840
  715    H    LEU  93           H        LEU  93  -0.806   2.590  11.784
  716    HA   LEU  93           HA       LEU  93   1.132   0.472  11.128
  717    HB2  LEU  93           2HB      LEU  93   1.791   2.991  12.719
  718    HB3  LEU  93           3HB      LEU  93   2.728   1.510  12.847
  719    HG   LEU  93           HG       LEU  93   2.400   3.103  10.270
  720   HD11  LEU  93          1HD1      LEU  93   4.745   2.946  12.209
  721   HD12  LEU  93          2HD1      LEU  93   4.723   3.808  10.653
  722   HD13  LEU  93          3HD1      LEU  93   3.673   4.343  11.972
  723   HD21  LEU  93          3HD2      LEU  93   4.294   1.713   9.459
  724   HD22  LEU  93          1HD2      LEU  93   4.244   0.762  10.959
  725   HD23  LEU  93          2HD2      LEU  93   2.886   0.715   9.818
  726    H    THR  94           H        THR  94   1.601  -0.850  13.014
  727    HA   THR  94           HA       THR  94  -0.652  -1.232  14.767
  728    HB   THR  94           HB       THR  94   1.075  -2.956  15.721
  729    HG1  THR  94           1HG      THR  94   2.991  -2.577  14.974
  730   HG21  THR  94          3HG2      THR  94   0.211  -3.115  12.794
  731   HG22  THR  94          1HG2      THR  94   0.689  -4.483  13.826
  732   HG23  THR  94          2HG2      THR  94  -0.774  -3.564  14.202
  733    H    SER  95           H        SER  95  -0.414  -1.329  17.163
  734    HA   SER  95           HA       SER  95   0.502   1.069  18.307
  735    HB2  SER  95           2HB      SER  95  -0.016  -1.567  19.731
  736    HB3  SER  95           3HB      SER  95  -0.207   0.072  20.380
  737    HG   SER  95           HG       SER  95  -2.207  -0.856  19.748
  738    H    ASN  96           H        ASN  96   2.353  -1.708  17.448
  739    HA   ASN  96           HA       ASN  96   4.767  -0.672  18.731
  740    HB2  ASN  96           2HB      ASN  96   4.112  -2.370  20.365
  741    HB3  ASN  96           3HB      ASN  96   3.723  -3.520  19.078
  742   HD21  ASN  96          2HD2      ASN  96   5.393  -4.810  18.235
  743   HD22  ASN  96          1HD2      ASN  96   7.065  -4.647  18.699
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1 -26.235 -11.004  13.764
    2    H2   MET   1           H2       MET   1 -26.488 -10.871  15.382
    3    H3   MET   1           H3       MET   1 -24.964 -10.994  14.791
    4    HA   MET   1           HA       MET   1 -25.613 -13.065  15.756
    5    HB2  MET   1           2HB      MET   1 -28.059 -12.766  15.393
    6    HB3  MET   1           3HB      MET   1 -27.835 -13.055  13.661
    7    HG2  MET   1           2HG      MET   1 -26.995 -15.331  14.151
    8    HG3  MET   1           3HG      MET   1 -27.151 -15.023  15.885
    9    HE1  MET   1           3HE      MET   1 -28.472 -17.292  16.139
   10    HE2  MET   1           1HE      MET   1 -29.909 -17.715  15.182
   11    HE3  MET   1           2HE      MET   1 -28.325 -17.580  14.389
   12    H    GLY   2           H        GLY   2 -24.221 -14.663  15.080
   13    HA2  GLY   2           2HA      GLY   2 -23.916 -15.585  12.425
   14    HA3  GLY   2           3HA      GLY   2 -22.624 -14.422  12.787
   15    H    HIS   3           H        HIS   3 -21.640 -16.798  12.345
   16    HA   HIS   3           HA       HIS   3 -20.776 -17.828  14.962
   17    HB2  HIS   3           2HB      HIS   3 -21.814 -19.616  12.711
   18    HB3  HIS   3           3HB      HIS   3 -21.022 -20.168  14.182
   19    HD1  HIS   3           1HD      HIS   3 -24.442 -19.376  12.883
   20    HD2  HIS   3           2HD      HIS   3 -22.434 -19.647  16.576
   21    HE1  HIS   3           1HE      HIS   3 -26.248 -19.557  14.666
   22    H    HIS   4           H        HIS   4 -18.667 -18.697  14.815
   23    HA   HIS   4           HA       HIS   4 -16.518 -18.589  14.198
   24    HB2  HIS   4           2HB      HIS   4 -17.372 -19.055  11.328
   25    HB3  HIS   4           3HB      HIS   4 -15.822 -19.426  12.070
   26    HD1  HIS   4           1HD      HIS   4 -19.112 -21.030  11.355
   27    HD2  HIS   4           2HD      HIS   4 -15.919 -21.448  14.070
   28    HE1  HIS   4           1HE      HIS   4 -19.345 -23.349  12.380
   29    H    HIS   5           H        HIS   5 -15.125 -17.478  12.025
   30    HA   HIS   5           HA       HIS   5 -15.390 -14.648  12.519
   31    HB2  HIS   5           2HB      HIS   5 -13.252 -15.859  11.943
   32    HB3  HIS   5           3HB      HIS   5 -13.866 -16.078  10.302
   33    HD1  HIS   5           1HD      HIS   5 -13.270 -13.029  12.694
   34    HD2  HIS   5           2HD      HIS   5 -13.041 -14.229   8.662
   35    HE1  HIS   5           1HE      HIS   5 -12.353 -11.039  11.406
   36    H    HIS   6           H        HIS   6 -15.960 -13.030  10.891
   37    HA   HIS   6           HA       HIS   6 -17.685 -13.815   8.641
   38    HB2  HIS   6           2HB      HIS   6 -18.639 -12.559  11.227
   39    HB3  HIS   6           3HB      HIS   6 -19.283 -11.918   9.732
   40    HD1  HIS   6           1HD      HIS   6 -18.760 -15.714   9.936
   41    HD2  HIS   6           2HD      HIS   6 -21.742 -12.761  10.268
   42    HE1  HIS   6           1HE      HIS   6 -20.993 -16.933   9.807
   43    H    HIS   7           H        HIS   7 -18.404 -11.731   7.528
   44    HA   HIS   7           HA       HIS   7 -16.565  -9.436   7.825
   45    HB2  HIS   7           2HB      HIS   7 -17.172 -10.944   5.238
   46    HB3  HIS   7           3HB      HIS   7 -16.531  -9.312   5.285
   47    HD1  HIS   7           1HD      HIS   7 -14.644 -11.082   7.904
   48    HD2  HIS   7           2HD      HIS   7 -14.679 -10.830   3.697
   49    HE1  HIS   7           1HE      HIS   7 -12.328 -11.806   7.114
   50    H    HIS   8           H        HIS   8 -17.545  -7.551   6.559
   51    HA   HIS   8           HA       HIS   8 -20.368  -7.716   5.896
   52    HB2  HIS   8           2HB      HIS   8 -20.312  -7.237   8.388
   53    HB3  HIS   8           3HB      HIS   8 -19.400  -5.769   8.039
   54    HD1  HIS   8           1HD      HIS   8 -22.818  -7.255   6.809
   55    HD2  HIS   8           2HD      HIS   8 -20.925  -3.666   7.946
   56    HE1  HIS   8           1HE      HIS   8 -24.577  -5.430   6.626
   57    H    LEU   9           H        LEU   9 -21.007  -5.457   5.016
   58    HA   LEU   9           HA       LEU   9 -18.998  -4.537   3.114
   59    HB2  LEU   9           2HB      LEU   9 -21.742  -3.447   3.879
   60    HB3  LEU   9           3HB      LEU   9 -20.750  -2.819   2.570
   61    HG   LEU   9           HG       LEU   9 -21.911  -5.635   2.696
   62   HD11  LEU   9          1HD1      LEU   9 -23.377  -4.862   0.881
   63   HD12  LEU   9          2HD1      LEU   9 -23.604  -3.880   2.335
   64   HD13  LEU   9          3HD1      LEU   9 -22.663  -3.236   0.972
   65   HD21  LEU   9          3HD2      LEU   9 -21.186  -5.781   0.307
   66   HD22  LEU   9          1HD2      LEU   9 -20.308  -4.247   0.497
   67   HD23  LEU   9          2HD2      LEU   9 -19.824  -5.688   1.420
   68    H    ASP  10           H        ASP  10 -18.302  -2.365   2.986
   69    HA   ASP  10           HA       ASP  10 -17.185  -0.590   3.569
   70    HB2  ASP  10           2HB      ASP  10 -19.503  -0.009   3.447
   71    HB3  ASP  10           3HB      ASP  10 -19.698  -0.206   5.189
   72    H    SER  11           H        SER  11 -17.604  -2.613   6.394
   73    HA   SER  11           HA       SER  11 -16.531  -0.953   8.370
   74    HB2  SER  11           2HB      SER  11 -15.911  -3.222   9.413
   75    HB3  SER  11           3HB      SER  11 -17.612  -2.933   9.011
   76    HG   SER  11           HG       SER  11 -16.812  -5.004   8.340
   77    H    TYR  12           H        TYR  12 -14.870  -2.674   5.826
   78    HA   TYR  12           HA       TYR  12 -12.181  -2.417   6.895
   79    HB2  TYR  12           2HB      TYR  12 -11.627  -3.084   4.481
   80    HB3  TYR  12           3HB      TYR  12 -12.578  -4.222   5.426
   81    HD1  TYR  12           2HD      TYR  12 -12.832  -1.617   2.737
   82    HD2  TYR  12           1HD      TYR  12 -14.804  -4.870   4.780
   83    HE1  TYR  12           2HE      TYR  12 -14.753  -1.382   1.227
   84    HE2  TYR  12           1HE      TYR  12 -16.684  -4.718   3.192
   85    HH   TYR  12           HH       TYR  12 -16.863  -2.231   0.609
   86    H    ALA  13           H        ALA  13 -14.319  -0.367   4.974
   87    HA   ALA  13           HA       ALA  13 -12.505   0.888   3.327
   88    HB1  ALA  13           3HB      ALA  13 -14.923   1.026   3.050
   89    HB2  ALA  13           1HB      ALA  13 -15.030   2.136   4.434
   90    HB3  ALA  13           2HB      ALA  13 -14.146   2.618   2.979
   91    HA   PRO  14           HA       PRO  14 -11.808   4.407   6.646
   92    HB2  PRO  14           2HB      PRO  14 -11.629   2.532   9.014
   93    HB3  PRO  14           3HB      PRO  14 -12.049   4.274   8.985
   94    HG2  PRO  14           2HG      PRO  14 -14.008   2.417   9.175
   95    HG3  PRO  14           3HG      PRO  14 -14.210   3.809   8.059
   96    HD2  PRO  14           2HD      PRO  14 -13.353   0.986   7.407
   97    HD3  PRO  14           3HD      PRO  14 -14.515   2.026   6.544
   98    H    ARG  15           H        ARG  15 -10.434   1.079   6.808
   99    HA   ARG  15           HA       ARG  15  -7.719   2.241   7.211
  100    HB2  ARG  15           2HB      ARG  15  -8.401   0.386   8.677
  101    HB3  ARG  15           3HB      ARG  15  -8.604  -0.670   7.268
  102    HG2  ARG  15           2HG      ARG  15  -6.250  -0.556   6.745
  103    HG3  ARG  15           3HG      ARG  15  -5.990   0.774   7.893
  104    HD2  ARG  15           2HD      ARG  15  -6.603  -0.793   9.757
  105    HD3  ARG  15           3HD      ARG  15  -6.684  -2.108   8.588
  106    HE   ARG  15           HE       ARG  15  -4.272  -0.562   9.439
  107   HH11  ARG  15          1HH2      ARG  15  -5.520  -3.496   7.784
  108   HH12  ARG  15          2HH2      ARG  15  -3.942  -4.268   7.868
  109   HH21  ARG  15          1HH1      ARG  15  -2.221  -1.709   9.405
  110   HH22  ARG  15          2HH1      ARG  15  -2.236  -3.344   8.741
  111    H    ALA  16           H        ALA  16  -9.578   0.158   4.914
  112    HA   ALA  16           HA       ALA  16  -7.694   0.940   2.769
  113    HB1  ALA  16           3HB      ALA  16  -8.395  -1.924   3.560
  114    HB2  ALA  16           1HB      ALA  16  -7.573  -1.437   2.066
  115    HB3  ALA  16           2HB      ALA  16  -6.781  -1.172   3.636
  116    H    GLU  17           H        GLU  17  -8.871   1.500   0.999
  117    HA   GLU  17           HA       GLU  17 -11.710   1.591   1.317
  118    HB2  GLU  17           2HB      GLU  17 -11.746   2.730  -0.825
  119    HB3  GLU  17           3HB      GLU  17 -10.502   3.383   0.238
  120    HG2  GLU  17           2HG      GLU  17  -8.745   2.234  -1.027
  121    HG3  GLU  17           3HG      GLU  17  -9.948   1.404  -2.019
  122    H    ALA  18           H        ALA  18  -9.633  -0.728  -0.348
  123    HA   ALA  18           HA       ALA  18 -11.893  -2.389  -1.121
  124    HB1  ALA  18           3HB      ALA  18 -11.378  -2.291  -3.552
  125    HB2  ALA  18           1HB      ALA  18 -11.856  -0.692  -2.969
  126    HB3  ALA  18           2HB      ALA  18 -10.138  -1.056  -3.253
  127    H    GLU  19           H        GLU  19 -11.046  -4.265  -2.433
  128    HA   GLU  19           HA       GLU  19  -8.205  -4.884  -2.179
  129    HB2  GLU  19           2HB      GLU  19  -9.257  -5.996  -0.228
  130    HB3  GLU  19           3HB      GLU  19 -10.468  -6.731  -1.282
  131    HG2  GLU  19           2HG      GLU  19  -8.682  -8.002  -2.456
  132    HG3  GLU  19           3HG      GLU  19  -7.464  -7.249  -1.427
  133    H    LYS  20           H        LYS  20  -7.548  -5.908  -4.124
  134    HA   LYS  20           HA       LYS  20  -9.650  -6.698  -6.081
  135    HB2  LYS  20           2HB      LYS  20  -7.467  -4.618  -6.563
  136    HB3  LYS  20           3HB      LYS  20  -8.428  -5.383  -7.832
  137    HG2  LYS  20           2HG      LYS  20 -10.506  -4.433  -6.777
  138    HG3  LYS  20           3HG      LYS  20  -9.489  -3.615  -5.583
  139    HD2  LYS  20           2HD      LYS  20 -10.076  -2.024  -7.263
  140    HD3  LYS  20           3HD      LYS  20  -8.347  -2.372  -7.421
  141    HE2  LYS  20           2HE      LYS  20  -8.818  -3.897  -9.321
  142    HE3  LYS  20           3HE      LYS  20 -10.555  -3.633  -9.118
  143    HZ1  LYS  20           3HZ      LYS  20  -8.595  -1.542  -9.875
  144    HZ2  LYS  20           1HZ      LYS  20  -9.650  -2.266 -10.883
  145    HZ3  LYS  20           2HZ      LYS  20 -10.204  -1.304  -9.693
  146    H    THR  21           H        THR  21  -8.918  -8.141  -7.656
  147    HA   THR  21           HA       THR  21  -6.558  -9.700  -7.005
  148    HB   THR  21           HB       THR  21  -8.402 -10.030  -9.393
  149    HG1  THR  21           1HG      THR  21  -9.819 -11.123  -8.113
  150   HG21  THR  21          3HG2      THR  21  -6.436 -11.539  -9.281
  151   HG22  THR  21          1HG2      THR  21  -6.905 -12.040  -7.642
  152   HG23  THR  21          2HG2      THR  21  -7.937 -12.441  -9.037
  153    H    PHE  22           H        PHE  22  -4.692  -9.880  -8.341
  154    HA   PHE  22           HA       PHE  22  -4.498  -8.309 -10.827
  155    HB2  PHE  22           2HB      PHE  22  -2.500  -8.033  -8.539
  156    HB3  PHE  22           3HB      PHE  22  -2.324  -7.343 -10.136
  157    HD1  PHE  22           1HD      PHE  22  -4.189  -7.123  -6.956
  158    HD2  PHE  22           2HD      PHE  22  -3.428  -5.256 -10.762
  159    HE1  PHE  22           1HE      PHE  22  -5.125  -5.015  -6.094
  160    HE2  PHE  22           2HE      PHE  22  -4.436  -3.149  -9.923
  161    HZ   PHE  22           HZ       PHE  22  -5.277  -3.009  -7.586
  162    H    SER  23           H        SER  23  -2.380  -8.790 -11.861
  163    HA   SER  23           HA       SER  23  -0.900 -11.178 -11.147
  164    HB2  SER  23           2HB      SER  23  -2.160 -10.837 -13.907
  165    HB3  SER  23           3HB      SER  23  -1.010 -12.095 -13.425
  166    HG   SER  23           HG       SER  23  -3.206 -12.805 -13.402
  167    H    TYR  24           H        TYR  24   1.069 -11.130 -12.953
  168    HA   TYR  24           HA       TYR  24   1.719  -8.292 -13.502
  169    HB2  TYR  24           2HB      TYR  24   3.513 -10.314 -12.159
  170    HB3  TYR  24           3HB      TYR  24   3.997  -8.695 -12.625
  171    HD1  TYR  24           1HD      TYR  24   2.465  -6.734 -11.618
  172    HD2  TYR  24           2HD      TYR  24   2.871 -10.693  -9.953
  173    HE1  TYR  24           1HE      TYR  24   1.635  -5.890  -9.446
  174    HE2  TYR  24           2HE      TYR  24   2.034  -9.861  -7.767
  175    HH   TYR  24           HH       TYR  24   1.078  -6.426  -7.262
  176    HA   PRO  25           HA       PRO  25   4.120  -7.412 -14.483
  177    HB2  PRO  25           2HB      PRO  25   3.783  -6.918 -17.434
  178    HB3  PRO  25           3HB      PRO  25   5.132  -6.444 -16.354
  179    HG2  PRO  25           2HG      PRO  25   5.402  -8.549 -18.041
  180    HG3  PRO  25           3HG      PRO  25   6.007  -8.668 -16.355
  181    HD2  PRO  25           2HD      PRO  25   3.396  -9.714 -17.487
  182    HD3  PRO  25           3HD      PRO  25   4.570 -10.537 -16.418
  183    H    LEU  26           H        LEU  26   3.134  -5.254 -14.464
  184    HA   LEU  26           HA       LEU  26   0.459  -4.866 -15.537
  185    HB2  LEU  26           2HB      LEU  26   0.616  -6.156 -13.093
  186    HB3  LEU  26           3HB      LEU  26   0.646  -4.506 -12.551
  187    HG   LEU  26           HG       LEU  26  -1.559  -5.583 -12.483
  188   HD11  LEU  26          1HD1      LEU  26  -2.929  -3.840 -13.367
  189   HD12  LEU  26          2HD1      LEU  26  -1.453  -3.115 -12.736
  190   HD13  LEU  26          3HD1      LEU  26  -1.684  -3.316 -14.500
  191   HD21  LEU  26          3HD2      LEU  26  -1.317  -7.011 -14.522
  192   HD22  LEU  26          1HD2      LEU  26  -2.861  -6.153 -14.413
  193   HD23  LEU  26          2HD2      LEU  26  -1.608  -5.579 -15.527
  194    H    ASP  27           H        ASP  27  -0.159  -2.605 -15.266
  195    HA   ASP  27           HA       ASP  27   1.990  -0.728 -15.393
  196    HB2  ASP  27           2HB      ASP  27  -0.110  -0.424 -16.583
  197    HB3  ASP  27           3HB      ASP  27  -1.013  -0.408 -15.066
  198    H    LEU  28           H        LEU  28  -0.063  -1.815 -12.738
  199    HA   LEU  28           HA       LEU  28   0.466   0.227 -10.812
  200    HB2  LEU  28           2HB      LEU  28  -1.316  -1.459 -10.543
  201    HB3  LEU  28           3HB      LEU  28  -0.115  -2.754 -10.531
  202    HG   LEU  28           HG       LEU  28   0.823  -1.872  -8.398
  203   HD11  LEU  28          1HD1      LEU  28  -1.525   0.079  -8.530
  204   HD12  LEU  28          2HD1      LEU  28  -0.537  -0.229  -7.087
  205   HD13  LEU  28          3HD1      LEU  28   0.203   0.494  -8.511
  206   HD21  LEU  28          3HD2      LEU  28  -2.171  -2.412  -8.309
  207   HD22  LEU  28          1HD2      LEU  28  -0.899  -3.647  -8.412
  208   HD23  LEU  28          2HD2      LEU  28  -1.019  -2.623  -6.974
  209    H    LEU  29           H        LEU  29   2.256   0.615  -9.560
  210    HA   LEU  29           HA       LEU  29   4.409  -1.413  -9.356
  211    HB2  LEU  29           2HB      LEU  29   4.946   0.151 -11.246
  212    HB3  LEU  29           3HB      LEU  29   4.751   1.515 -10.146
  213    HG   LEU  29           HG       LEU  29   6.681   0.663  -8.783
  214   HD11  LEU  29          1HD1      LEU  29   8.181  -1.045  -9.785
  215   HD12  LEU  29          2HD1      LEU  29   6.625  -1.740  -9.338
  216   HD13  LEU  29          3HD1      LEU  29   6.968  -1.371 -11.041
  217   HD21  LEU  29          3HD2      LEU  29   6.996   2.373 -10.524
  218   HD22  LEU  29          1HD2      LEU  29   8.413   1.321 -10.391
  219   HD23  LEU  29          2HD2      LEU  29   7.271   1.103 -11.736
  220    H    LEU  30           H        LEU  30   5.498  -1.270  -7.376
  221    HA   LEU  30           HA       LEU  30   4.445   0.599  -5.307
  222    HB2  LEU  30           2HB      LEU  30   4.602  -2.423  -5.389
  223    HB3  LEU  30           3HB      LEU  30   4.989  -1.620  -3.889
  224    HG   LEU  30           HG       LEU  30   2.789  -0.619  -3.718
  225   HD11  LEU  30          1HD1      LEU  30   0.938  -1.366  -5.251
  226   HD12  LEU  30          2HD1      LEU  30   2.081  -0.271  -6.013
  227   HD13  LEU  30          3HD1      LEU  30   2.170  -2.014  -6.358
  228   HD21  LEU  30          3HD2      LEU  30   2.614  -3.595  -4.379
  229   HD22  LEU  30          1HD2      LEU  30   3.188  -2.925  -2.844
  230   HD23  LEU  30          2HD2      LEU  30   1.508  -2.677  -3.334
  231    H    LYS  31           H        LYS  31   6.033   0.979  -3.565
  232    HA   LYS  31           HA       LYS  31   8.717  -0.143  -3.968
  233    HB2  LYS  31           2HB      LYS  31   9.931   1.788  -4.116
  234    HB3  LYS  31           3HB      LYS  31   8.600   2.116  -5.200
  235    HG2  LYS  31           2HG      LYS  31   8.980   3.221  -2.374
  236    HG3  LYS  31           3HG      LYS  31   9.272   4.061  -3.888
  237    HD2  LYS  31           2HD      LYS  31   6.822   3.907  -4.423
  238    HD3  LYS  31           3HD      LYS  31   6.563   3.127  -2.864
  239    HE2  LYS  31           2HE      LYS  31   5.983   5.458  -2.666
  240    HE3  LYS  31           3HE      LYS  31   7.418   5.130  -1.690
  241    HZ1  LYS  31           3HZ      LYS  31   8.761   6.138  -3.458
  242    HZ2  LYS  31           1HZ      LYS  31   7.430   6.416  -4.372
  243    HZ3  LYS  31           2HZ      LYS  31   7.626   7.187  -2.952
  244    H    LEU  32           H        LEU  32  10.060   0.009  -2.063
  245    HA   LEU  32           HA       LEU  32   8.507  -0.189   0.411
  246    HB2  LEU  32           2HB      LEU  32  10.445  -1.703  -0.412
  247    HB3  LEU  32           3HB      LEU  32  11.525  -0.409   0.095
  248    HG   LEU  32           HG       LEU  32   9.556  -1.870   1.914
  249   HD11  LEU  32          1HD1      LEU  32  12.549  -2.287   1.490
  250   HD12  LEU  32          2HD1      LEU  32  11.545  -3.119   2.689
  251   HD13  LEU  32          3HD1      LEU  32  11.252  -3.389   0.976
  252   HD21  LEU  32          3HD2      LEU  32  11.088  -1.023   3.743
  253   HD22  LEU  32          1HD2      LEU  32  11.854   0.040   2.546
  254   HD23  LEU  32          2HD2      LEU  32  10.134   0.233   2.969
  255    H    HIS  33           H        HIS  33   8.362   1.477   1.875
  256    HA   HIS  33           HA       HIS  33  10.329   3.637   1.948
  257    HB2  HIS  33           2HB      HIS  33   8.762   4.388   0.165
  258    HB3  HIS  33           3HB      HIS  33   7.400   4.163   1.262
  259    HD1  HIS  33           1HD      HIS  33   7.127   6.059   3.214
  260    HD2  HIS  33           2HD      HIS  33  10.336   6.546   0.529
  261    HE1  HIS  33           1HE      HIS  33   8.005   8.420   3.569
  262    H    ASP  34           H        ASP  34  10.434   4.431   4.007
  263    HA   ASP  34           HA       ASP  34  10.317   4.318   6.250
  264    HB2  ASP  34           2HB      ASP  34   8.793   6.135   5.648
  265    HB3  ASP  34           3HB      ASP  34   7.427   5.014   5.675
  266    H    GLU  35           H        GLU  35  10.530   1.878   5.517
  267    HA   GLU  35           HA       GLU  35  10.306  -0.281   5.972
  268    HB2  GLU  35           2HB      GLU  35   9.144   0.647   8.631
  269    HB3  GLU  35           3HB      GLU  35   9.889  -0.914   8.302
  270    HG2  GLU  35           2HG      GLU  35  11.274   1.794   8.333
  271    HG3  GLU  35           3HG      GLU  35  11.445   0.493   9.502
  272    H    ARG  36           H        ARG  36   7.762   1.189   4.930
  273    HA   ARG  36           HA       ARG  36   6.022  -1.218   4.998
  274    HB2  ARG  36           2HB      ARG  36   5.356   1.768   4.937
  275    HB3  ARG  36           3HB      ARG  36   4.164   0.483   4.680
  276    HG2  ARG  36           2HG      ARG  36   4.521  -0.417   6.884
  277    HG3  ARG  36           3HG      ARG  36   5.833   0.706   7.241
  278    HD2  ARG  36           2HD      ARG  36   3.074   1.671   6.511
  279    HD3  ARG  36           3HD      ARG  36   3.512   1.228   8.177
  280    HE   ARG  36           HE       ARG  36   5.490   2.999   7.308
  281   HH11  ARG  36          1HH1      ARG  36   1.985   3.073   8.004
  282   HH12  ARG  36          2HH1      ARG  36   1.963   4.771   8.332
  283   HH21  ARG  36          1HH2      ARG  36   5.451   5.237   7.943
  284   HH22  ARG  36          2HH2      ARG  36   3.942   6.014   8.268
  285    H    VAL  37           H        VAL  37   4.394  -0.483   2.834
  286    HA   VAL  37           HA       VAL  37   6.257   0.096   0.611
  287    HB   VAL  37           HB       VAL  37   4.374  -2.294   0.758
  288   HG11  VAL  37          1HG1      VAL  37   6.153  -1.392  -1.551
  289   HG12  VAL  37          2HG1      VAL  37   5.175  -2.869  -1.493
  290   HG13  VAL  37          3HG1      VAL  37   4.379  -1.289  -1.517
  291   HG21  VAL  37          3HG2      VAL  37   7.412  -2.135   0.564
  292   HG22  VAL  37          1HG2      VAL  37   6.451  -2.780   1.912
  293   HG23  VAL  37          2HG2      VAL  37   6.464  -3.610   0.356
  294    H    LEU  38           H        LEU  38   5.359   1.333  -0.937
  295    HA   LEU  38           HA       LEU  38   2.542   2.221  -0.560
  296    HB2  LEU  38           2HB      LEU  38   4.939   3.977  -1.196
  297    HB3  LEU  38           3HB      LEU  38   3.272   4.510  -1.043
  298    HG   LEU  38           HG       LEU  38   5.054   3.488   1.206
  299   HD11  LEU  38          1HD1      LEU  38   4.954   5.813   1.995
  300   HD12  LEU  38          2HD1      LEU  38   5.617   5.749   0.355
  301   HD13  LEU  38          3HD1      LEU  38   3.936   6.263   0.616
  302   HD21  LEU  38          3HD2      LEU  38   2.178   4.487   1.308
  303   HD22  LEU  38          1HD2      LEU  38   2.776   2.873   1.755
  304   HD23  LEU  38          2HD2      LEU  38   3.229   4.268   2.726
  305    H    VAL  39           H        VAL  39   1.601   3.090  -2.495
  306    HA   VAL  39           HA       VAL  39   2.331   1.802  -4.967
  307    HB   VAL  39           HB       VAL  39   0.443   4.091  -4.309
  308   HG11  VAL  39          1HG1      VAL  39  -0.661   3.550  -6.487
  309   HG12  VAL  39          2HG1      VAL  39   0.973   4.178  -6.702
  310   HG13  VAL  39          3HG1      VAL  39   0.667   2.432  -6.863
  311   HG21  VAL  39          3HG2      VAL  39  -0.218   1.986  -3.198
  312   HG22  VAL  39          1HG2      VAL  39  -1.342   2.382  -4.494
  313   HG23  VAL  39          2HG2      VAL  39  -0.115   1.122  -4.747
  314    H    ALA  40           H        ALA  40   3.886   2.417  -6.333
  315    HA   ALA  40           HA       ALA  40   5.227   5.040  -6.109
  316    HB1  ALA  40           3HB      ALA  40   6.819   4.085  -7.693
  317    HB2  ALA  40           1HB      ALA  40   6.546   2.884  -6.415
  318    HB3  ALA  40           2HB      ALA  40   5.762   2.696  -7.992
  319    H    PHE  41           H        PHE  41   3.171   3.116  -8.301
  320    HA   PHE  41           HA       PHE  41   2.199   5.510  -9.661
  321    HB2  PHE  41           2HB      PHE  41   4.371   4.783 -10.859
  322    HB3  PHE  41           3HB      PHE  41   3.529   3.310 -11.302
  323    HD1  PHE  41           1HD      PHE  41   1.498   3.448 -12.843
  324    HD2  PHE  41           2HD      PHE  41   3.995   6.865 -11.979
  325    HE1  PHE  41           1HE      PHE  41   0.579   4.626 -14.817
  326    HE2  PHE  41           2HE      PHE  41   3.106   8.018 -13.988
  327    HZ   PHE  41           HZ       PHE  41   1.384   6.906 -15.406
  328    H    GLY  42           H        GLY  42   0.085   5.078 -10.334
  329    HA2  GLY  42           2HA      GLY  42  -1.015   2.677 -11.199
  330    HA3  GLY  42           3HA      GLY  42  -1.152   2.614  -9.434
  331    H    GLN  43           H        GLN  43  -1.370   5.684 -11.216
  332    HA   GLN  43           HA       GLN  43  -3.757   6.488  -9.933
  333    HB2  GLN  43           2HB      GLN  43  -2.709   7.498 -12.621
  334    HB3  GLN  43           3HB      GLN  43  -3.814   8.317 -11.528
  335    HG2  GLN  43           2HG      GLN  43  -1.813   9.422 -11.137
  336    HG3  GLN  43           3HG      GLN  43  -1.857   8.277  -9.803
  337   HE21  GLN  43          2HE2      GLN  43  -0.265   9.086 -12.904
  338   HE22  GLN  43          1HE2      GLN  43   1.028   7.916 -12.733
  339    H    ARG  44           H        ARG  44  -5.824   5.797 -10.246
  340    HA   ARG  44           HA       ARG  44  -6.853   4.970 -12.836
  341    HB2  ARG  44           2HB      ARG  44  -5.473   2.967 -11.639
  342    HB3  ARG  44           3HB      ARG  44  -6.909   2.830 -10.663
  343    HG2  ARG  44           2HG      ARG  44  -6.895   1.253 -12.525
  344    HG3  ARG  44           3HG      ARG  44  -8.268   2.346 -12.655
  345    HD2  ARG  44           2HD      ARG  44  -6.907   1.739 -14.808
  346    HD3  ARG  44           3HD      ARG  44  -7.422   3.402 -14.554
  347    HE   ARG  44           HE       ARG  44  -5.256   4.084 -14.017
  348   HH11  ARG  44          1HH2      ARG  44  -5.145   0.636 -14.899
  349   HH12  ARG  44          2HH2      ARG  44  -3.417   0.596 -14.902
  350   HH21  ARG  44          1HH1      ARG  44  -3.120   4.022 -13.972
  351   HH22  ARG  44          2HH1      ARG  44  -2.189   2.609 -14.413
  352    H    ASP  45           H        ASP  45  -8.857   5.830 -12.747
  353    HA   ASP  45           HA       ASP  45 -10.740   6.790 -12.098
  354    HB2  ASP  45           2HB      ASP  45 -11.383   4.647 -11.144
  355    HB3  ASP  45           3HB      ASP  45 -10.627   5.071  -9.608
  356    H    GLY  46           H        GLY  46  -8.080   6.939  -9.810
  357    HA2  GLY  46           2HA      GLY  46  -8.210   9.802  -9.751
  358    HA3  GLY  46           3HA      GLY  46  -8.552   9.072  -8.165
  359    H    ILE  47           H        ILE  47  -6.274  10.495  -8.172
  360    HA   ILE  47           HA       ILE  47  -3.968   8.970  -9.001
  361    HB   ILE  47           HB       ILE  47  -2.634  10.578  -7.794
  362   HG12  ILE  47          2HG1      ILE  47  -4.011  12.647  -6.824
  363   HG13  ILE  47          3HG1      ILE  47  -5.214  11.419  -6.457
  364   HG21  ILE  47          1HG2      ILE  47  -3.211  12.544  -9.064
  365   HG22  ILE  47          2HG2      ILE  47  -3.563  11.113 -10.039
  366   HG23  ILE  47          3HG2      ILE  47  -4.888  12.007  -9.260
  367   HD11  ILE  47          3HD1      ILE  47  -3.479  10.199  -5.095
  368   HD12  ILE  47          1HD1      ILE  47  -2.295  11.446  -5.540
  369   HD13  ILE  47          2HD1      ILE  47  -3.706  11.867  -4.554
  370    H    ARG  48           H        ARG  48  -2.557   7.703  -7.713
  371    HA   ARG  48           HA       ARG  48  -3.608   6.852  -5.054
  372    HB2  ARG  48           2HB      ARG  48  -2.802   4.974  -7.316
  373    HB3  ARG  48           3HB      ARG  48  -3.188   4.493  -5.656
  374    HG2  ARG  48           2HG      ARG  48  -5.461   5.554  -5.931
  375    HG3  ARG  48           3HG      ARG  48  -5.072   5.816  -7.639
  376    HD2  ARG  48           2HD      ARG  48  -4.785   3.359  -7.929
  377    HD3  ARG  48           3HD      ARG  48  -5.265   3.116  -6.250
  378    HE   ARG  48           HE       ARG  48  -6.941   4.072  -8.518
  379   HH11  ARG  48          1HH1      ARG  48  -6.854   3.285  -5.054
  380   HH12  ARG  48          2HH1      ARG  48  -8.583   3.392  -4.860
  381   HH21  ARG  48          1HH2      ARG  48  -9.120   4.262  -8.267
  382   HH22  ARG  48          2HH2      ARG  48  -9.910   3.917  -6.748
  383    H    VAL  49           H        VAL  49  -0.883   7.995  -6.729
  384    HA   VAL  49           HA       VAL  49   1.210   6.439  -5.665
  385    HB   VAL  49           HB       VAL  49   1.171   9.440  -6.226
  386   HG11  VAL  49          1HG1      VAL  49   3.610   9.135  -6.647
  387   HG12  VAL  49          2HG1      VAL  49   3.183   8.797  -4.970
  388   HG13  VAL  49          3HG1      VAL  49   3.486   7.452  -6.091
  389   HG21  VAL  49          3HG2      VAL  49   0.450   8.240  -8.237
  390   HG22  VAL  49          1HG2      VAL  49   2.109   8.782  -8.457
  391   HG23  VAL  49          2HG2      VAL  49   1.786   7.083  -8.062
  392    H    GLY  50           H        GLY  50   2.198   6.348  -3.687
  393    HA2  GLY  50           2HA      GLY  50   2.813   6.993  -1.561
  394    HA3  GLY  50           3HA      GLY  50   1.774   8.418  -1.669
  395    H    HIS  51           H        HIS  51  -0.328   5.968  -2.506
  396    HA   HIS  51           HA       HIS  51  -1.404   5.683   0.219
  397    HB2  HIS  51           2HB      HIS  51  -2.219   4.509  -2.471
  398    HB3  HIS  51           3HB      HIS  51  -3.011   4.124  -0.951
  399    HD1  HIS  51           1HD      HIS  51  -2.298   7.322  -3.029
  400    HD2  HIS  51           2HD      HIS  51  -4.808   5.790  -0.032
  401    HE1  HIS  51           1HE      HIS  51  -4.105   9.091  -2.638
  402    H    ALA  52           H        ALA  52  -1.720   3.415   1.096
  403    HA   ALA  52           HA       ALA  52   0.902   2.006   0.789
  404    HB1  ALA  52           3HB      ALA  52   0.651   1.474   3.163
  405    HB2  ALA  52           1HB      ALA  52   0.529   3.232   2.931
  406    HB3  ALA  52           2HB      ALA  52  -0.942   2.261   3.194
  407    H    VAL  53           H        VAL  53   0.935  -0.204   0.708
  408    HA   VAL  53           HA       VAL  53  -1.647  -1.595   0.285
  409    HB   VAL  53           HB       VAL  53   0.023  -2.244  -1.269
  410   HG11  VAL  53          1HG1      VAL  53   2.110  -1.613  -0.245
  411   HG12  VAL  53          2HG1      VAL  53   1.911  -2.827   1.044
  412   HG13  VAL  53          3HG1      VAL  53   2.169  -3.332  -0.636
  413   HG21  VAL  53          3HG2      VAL  53  -0.163  -4.436   0.834
  414   HG22  VAL  53          1HG2      VAL  53  -1.435  -4.016  -0.337
  415   HG23  VAL  53          2HG2      VAL  53   0.130  -4.632  -0.903
  416    H    LEU  54           H        LEU  54  -2.539  -2.801   1.901
  417    HA   LEU  54           HA       LEU  54  -1.177  -2.742   4.560
  418    HB2  LEU  54           2HB      LEU  54  -4.079  -2.130   3.913
  419    HB3  LEU  54           3HB      LEU  54  -3.427  -2.332   5.541
  420    HG   LEU  54           HG       LEU  54  -2.504  -0.192   3.565
  421   HD11  LEU  54          1HD1      LEU  54  -3.726   1.406   4.897
  422   HD12  LEU  54          2HD1      LEU  54  -4.836   0.142   4.363
  423   HD13  LEU  54          3HD1      LEU  54  -4.225   0.143   6.037
  424   HD21  LEU  54          3HD2      LEU  54  -1.441   0.859   5.562
  425   HD22  LEU  54          1HD2      LEU  54  -1.852  -0.578   6.522
  426   HD23  LEU  54          2HD2      LEU  54  -0.711  -0.691   5.163
  427    H    ALA  55           H        ALA  55  -3.075  -4.636   2.201
  428    HA   ALA  55           HA       ALA  55  -2.138  -6.923   3.761
  429    HB1  ALA  55           3HB      ALA  55  -4.192  -8.177   3.763
  430    HB2  ALA  55           1HB      ALA  55  -4.452  -6.661   4.648
  431    HB3  ALA  55           2HB      ALA  55  -5.084  -6.883   3.000
  432    H    ILE  56           H        ILE  56  -1.992  -8.828   2.548
  433    HA   ILE  56           HA       ILE  56  -2.409  -8.644  -0.386
  434    HB   ILE  56           HB       ILE  56   0.195  -9.429   1.006
  435   HG12  ILE  56          2HG1      ILE  56  -0.353  -7.293  -1.110
  436   HG13  ILE  56          3HG1      ILE  56  -0.143  -6.977   0.610
  437   HG21  ILE  56          1HG2      ILE  56  -0.617  -9.751  -1.923
  438   HG22  ILE  56          2HG2      ILE  56   1.023 -10.024  -1.280
  439   HG23  ILE  56          3HG2      ILE  56  -0.297 -11.055  -0.768
  440   HD11  ILE  56          3HD1      ILE  56   2.162  -7.928   0.505
  441   HD12  ILE  56          1HD1      ILE  56   2.003  -8.033  -1.262
  442   HD13  ILE  56          2HD1      ILE  56   1.905  -6.461  -0.461
  443    H    ASN  57           H        ASN  57  -3.156 -10.557  -1.157
  444    HA   ASN  57           HA       ASN  57  -4.356 -12.467  -1.085
  445    HB2  ASN  57           2HB      ASN  57  -1.759 -13.416   0.169
  446    HB3  ASN  57           3HB      ASN  57  -2.998 -14.486  -0.485
  447   HD21  ASN  57          2HD2      ASN  57  -0.237 -14.324  -1.480
  448   HD22  ASN  57          1HD2      ASN  57  -0.397 -13.830  -3.146
  449    H    GLY  58           H        GLY  58  -4.986 -10.741   1.098
  450    HA2  GLY  58           2HA      GLY  58  -6.655 -10.887   2.676
  451    HA3  GLY  58           3HA      GLY  58  -6.520 -12.649   2.684
  452    H    MET  59           H        MET  59  -3.449 -11.111   3.162
  453    HA   MET  59           HA       MET  59  -3.620 -11.522   6.115
  454    HB2  MET  59           2HB      MET  59  -1.273 -11.938   4.211
  455    HB3  MET  59           3HB      MET  59  -1.247 -12.150   5.960
  456    HG2  MET  59           2HG      MET  59  -2.908 -13.780   4.006
  457    HG3  MET  59           3HG      MET  59  -1.391 -14.280   4.742
  458    HE1  MET  59           3HE      MET  59  -4.061 -16.651   6.381
  459    HE2  MET  59           1HE      MET  59  -4.095 -15.991   4.731
  460    HE3  MET  59           2HE      MET  59  -2.561 -16.558   5.431
  461    H    ASP  60           H        ASP  60  -3.347  -9.690   7.229
  462    HA   ASP  60           HA       ASP  60  -2.646  -7.131   6.217
  463    HB2  ASP  60           2HB      ASP  60  -3.846  -7.360   8.289
  464    HB3  ASP  60           3HB      ASP  60  -2.569  -8.354   8.994
  465    H    VAL  61           H        VAL  61  -0.658  -6.276   5.671
  466    HA   VAL  61           HA       VAL  61   1.620  -8.088   5.773
  467    HB   VAL  61           HB       VAL  61   2.851  -6.376   4.581
  468   HG11  VAL  61          1HG1      VAL  61   1.569  -6.383   2.517
  469   HG12  VAL  61          2HG1      VAL  61   1.381  -7.937   3.343
  470   HG13  VAL  61          3HG1      VAL  61   0.070  -6.746   3.391
  471   HG21  VAL  61          3HG2      VAL  61   0.405  -4.581   4.838
  472   HG22  VAL  61          1HG2      VAL  61   2.009  -4.293   5.531
  473   HG23  VAL  61          2HG2      VAL  61   1.799  -4.291   3.781
  474    H    ASN  62           H        ASN  62   3.504  -7.862   6.942
  475    HA   ASN  62           HA       ASN  62   3.417  -6.332   9.466
  476    HB2  ASN  62           2HB      ASN  62   4.132  -8.683   9.602
  477    HB3  ASN  62           3HB      ASN  62   5.367  -8.392   8.376
  478   HD21  ASN  62          2HD2      ASN  62   7.065  -9.038   9.871
  479   HD22  ASN  62          1HD2      ASN  62   7.552  -7.991  11.177
  480    H    GLY  63           H        GLY  63   3.265  -4.509   7.784
  481    HA2  GLY  63           2HA      GLY  63   4.135  -2.705   6.683
  482    HA3  GLY  63           3HA      GLY  63   5.634  -2.966   7.587
  483    H    ARG  64           H        ARG  64   7.380  -3.607   6.452
  484    HA   ARG  64           HA       ARG  64   7.231  -3.872   3.568
  485    HB2  ARG  64           2HB      ARG  64   9.675  -4.014   3.676
  486    HB3  ARG  64           3HB      ARG  64   9.068  -2.628   4.578
  487    HG2  ARG  64           2HG      ARG  64   9.304  -3.981   6.703
  488    HG3  ARG  64           3HG      ARG  64  10.024  -5.280   5.750
  489    HD2  ARG  64           2HD      ARG  64  11.141  -2.454   5.871
  490    HD3  ARG  64           3HD      ARG  64  11.614  -3.738   6.993
  491    HE   ARG  64           HE       ARG  64  11.989  -4.766   4.408
  492   HH11  ARG  64          1HH1      ARG  64  13.370  -2.194   6.474
  493   HH12  ARG  64          2HH1      ARG  64  14.945  -2.322   5.758
  494   HH21  ARG  64          1HH2      ARG  64  13.973  -4.844   3.430
  495   HH22  ARG  64          2HH2      ARG  64  15.317  -3.870   3.979
  496    H    TYR  65           H        TYR  65   6.882  -6.114   6.099
  497    HA   TYR  65           HA       TYR  65   7.773  -8.338   4.323
  498    HB2  TYR  65           2HB      TYR  65   7.445  -8.380   7.333
  499    HB3  TYR  65           3HB      TYR  65   8.072  -9.673   6.322
  500    HD1  TYR  65           1HD      TYR  65  10.152  -8.862   4.739
  501    HD2  TYR  65           2HD      TYR  65   9.033  -7.124   8.523
  502    HE1  TYR  65           1HE      TYR  65  12.406  -7.854   4.930
  503    HE2  TYR  65           2HE      TYR  65  11.319  -6.219   8.788
  504    HH   TYR  65           HH       TYR  65  13.443  -6.016   7.844
  505    H    THR  66           H        THR  66   6.364 -10.238   4.238
  506    HA   THR  66           HA       THR  66   3.520  -9.662   4.473
  507    HB   THR  66           HB       THR  66   3.281 -12.063   3.871
  508    HG1  THR  66           1HG      THR  66   5.123 -13.230   3.351
  509   HG21  THR  66          3HG2      THR  66   4.122 -11.905   1.615
  510   HG22  THR  66          1HG2      THR  66   3.548 -10.306   2.110
  511   HG23  THR  66          2HG2      THR  66   5.300 -10.653   2.071
  512    H    ALA  67           H        ALA  67   2.189 -11.421   5.674
  513    HA   ALA  67           HA       ALA  67   2.700 -11.440   8.481
  514    HB1  ALA  67           3HB      ALA  67   0.914 -13.203   8.455
  515    HB2  ALA  67           1HB      ALA  67   0.471 -11.763   7.511
  516    HB3  ALA  67           2HB      ALA  67   1.030 -13.242   6.676
  517    H    ASP  68           H        ASP  68   3.446 -13.726   5.851
  518    HA   ASP  68           HA       ASP  68   4.498 -15.802   7.559
  519    HB2  ASP  68           2HB      ASP  68   3.602 -16.224   5.286
  520    HB3  ASP  68           3HB      ASP  68   4.960 -15.328   4.591
  521    H    GLY  69           H        GLY  69   5.947 -13.047   5.796
  522    HA2  GLY  69           2HA      GLY  69   7.674 -11.961   7.170
  523    HA3  GLY  69           3HA      GLY  69   8.505 -13.511   7.287
  524    H    LYS  70           H        LYS  70   7.327 -13.239   4.080
  525    HA   LYS  70           HA       LYS  70  10.019 -12.785   3.024
  526    HB2  LYS  70           2HB      LYS  70   7.242 -13.128   1.811
  527    HB3  LYS  70           3HB      LYS  70   8.602 -12.581   0.835
  528    HG2  LYS  70           2HG      LYS  70   8.193 -14.994   0.632
  529    HG3  LYS  70           3HG      LYS  70   9.833 -14.585   1.158
  530    HD2  LYS  70           2HD      LYS  70   9.338 -15.215   3.435
  531    HD3  LYS  70           3HD      LYS  70   7.615 -15.467   3.033
  532    HE2  LYS  70           2HE      LYS  70   8.217 -17.301   1.514
  533    HE3  LYS  70           3HE      LYS  70   9.940 -17.039   1.827
  534    HZ1  LYS  70           3HZ      LYS  70   9.603 -17.707   4.094
  535    HZ2  LYS  70           1HZ      LYS  70   7.973 -17.764   3.923
  536    HZ3  LYS  70           2HZ      LYS  70   8.932 -18.859   3.150
  537    H    GLU  71           H        GLU  71  10.664 -10.889   1.865
  538    HA   GLU  71           HA       GLU  71   9.436  -8.397   2.747
  539    HB2  GLU  71           2HB      GLU  71  11.871  -8.640   2.269
  540    HB3  GLU  71           3HB      GLU  71  11.496  -8.822   0.545
  541    HG2  GLU  71           2HG      GLU  71  10.595  -6.581   0.429
  542    HG3  GLU  71           3HG      GLU  71  10.540  -6.445   2.190
  543    H    VAL  72           H        VAL  72   7.856  -7.309   1.750
  544    HA   VAL  72           HA       VAL  72   5.999  -8.659   0.197
  545    HB   VAL  72           HB       VAL  72   6.494  -5.765   0.892
  546   HG11  VAL  72          1HG1      VAL  72   5.361  -5.469  -1.203
  547   HG12  VAL  72          2HG1      VAL  72   4.218  -6.772  -0.842
  548   HG13  VAL  72          3HG1      VAL  72   4.159  -5.242   0.073
  549   HG21  VAL  72          3HG2      VAL  72   4.530  -6.089   2.315
  550   HG22  VAL  72          1HG2      VAL  72   4.288  -7.723   1.657
  551   HG23  VAL  72          2HG2      VAL  72   5.719  -7.356   2.632
  552    H    LEU  73           H        LEU  73   8.563  -6.417  -1.002
  553    HA   LEU  73           HA       LEU  73   7.537  -6.422  -3.686
  554    HB2  LEU  73           2HB      LEU  73  10.369  -5.892  -2.694
  555    HB3  LEU  73           3HB      LEU  73   9.783  -5.574  -4.323
  556    HG   LEU  73           HG       LEU  73   8.827  -4.200  -1.776
  557   HD11  LEU  73          1HD1      LEU  73  10.433  -3.179  -4.157
  558   HD12  LEU  73          2HD1      LEU  73   9.894  -2.213  -2.770
  559   HD13  LEU  73          3HD1      LEU  73  11.067  -3.516  -2.531
  560   HD21  LEU  73          3HD2      LEU  73   6.925  -4.314  -3.310
  561   HD22  LEU  73          1HD2      LEU  73   7.568  -2.675  -3.299
  562   HD23  LEU  73          2HD2      LEU  73   7.938  -3.753  -4.661
  563    H    GLU  74           H        GLU  74   9.857  -8.559  -1.983
  564    HA   GLU  74           HA       GLU  74  10.605  -9.987  -4.410
  565    HB2  GLU  74           2HB      GLU  74  10.938 -10.716  -1.463
  566    HB3  GLU  74           3HB      GLU  74  11.600 -11.619  -2.831
  567    HG2  GLU  74           2HG      GLU  74  12.811  -9.496  -3.536
  568    HG3  GLU  74           3HG      GLU  74  12.320  -8.780  -1.998
  569    H    TYR  75           H        TYR  75   8.234 -10.409  -1.767
  570    HA   TYR  75           HA       TYR  75   7.276 -12.978  -2.475
  571    HB2  TYR  75           2HB      TYR  75   6.784 -11.819  -0.345
  572    HB3  TYR  75           3HB      TYR  75   5.834 -10.619  -1.192
  573    HD1  TYR  75           2HD      TYR  75   5.969 -14.187  -0.160
  574    HD2  TYR  75           1HD      TYR  75   3.560 -11.064  -1.909
  575    HE1  TYR  75           2HE      TYR  75   3.958 -15.584   0.146
  576    HE2  TYR  75           1HE      TYR  75   1.542 -12.470  -1.643
  577    HH   TYR  75           HH       TYR  75   1.643 -15.738  -0.150
  578    H    LEU  76           H        LEU  76   6.035  -9.702  -3.418
  579    HA   LEU  76           HA       LEU  76   4.024 -10.769  -5.195
  580    HB2  LEU  76           2HB      LEU  76   5.332  -8.022  -4.983
  581    HB3  LEU  76           3HB      LEU  76   3.996  -8.392  -6.068
  582    HG   LEU  76           HG       LEU  76   3.854  -8.568  -3.017
  583   HD11  LEU  76          1HD1      LEU  76   2.687  -6.541  -4.968
  584   HD12  LEU  76          2HD1      LEU  76   2.417  -6.580  -3.213
  585   HD13  LEU  76          3HD1      LEU  76   4.037  -6.261  -3.846
  586   HD21  LEU  76          3HD2      LEU  76   1.394  -8.783  -3.426
  587   HD22  LEU  76          1HD2      LEU  76   1.736  -9.011  -5.151
  588   HD23  LEU  76          2HD2      LEU  76   2.318 -10.187  -3.951
  589    H    GLY  77           H        GLY  77   7.419  -9.823  -5.571
  590    HA2  GLY  77           2HA      GLY  77   7.489  -9.903  -8.420
  591    HA3  GLY  77           3HA      GLY  77   8.862  -9.955  -7.308
  592    H    ASN  78           H        ASN  78   7.213 -12.583  -6.229
  593    HA   ASN  78           HA       ASN  78   8.920 -14.411  -7.747
  594    HB2  ASN  78           2HB      ASN  78   8.700 -14.705  -5.342
  595    HB3  ASN  78           3HB      ASN  78   6.945 -14.831  -5.486
  596   HD21  ASN  78          2HD2      ASN  78   6.491 -16.959  -4.951
  597   HD22  ASN  78          1HD2      ASN  78   7.329 -18.350  -5.618
  598    HA   PRO  79           HA       PRO  79   5.414 -14.801 -10.487
  599    HB2  PRO  79           2HB      PRO  79   6.424 -16.178 -12.584
  600    HB3  PRO  79           3HB      PRO  79   6.835 -14.473 -12.208
  601    HG2  PRO  79           2HG      PRO  79   8.396 -16.976 -11.436
  602    HG3  PRO  79           3HG      PRO  79   9.023 -15.495 -12.230
  603    HD2  PRO  79           2HD      PRO  79   9.203 -15.870  -9.533
  604    HD3  PRO  79           3HD      PRO  79   8.890 -14.256 -10.236
  605    H    ALA  80           H        ALA  80   6.868 -17.579  -8.977
  606    HA   ALA  80           HA       ALA  80   4.879 -19.475  -9.789
  607    HB1  ALA  80           3HB      ALA  80   5.579 -20.747  -7.826
  608    HB2  ALA  80           1HB      ALA  80   7.000 -20.104  -8.668
  609    HB3  ALA  80           2HB      ALA  80   6.424 -19.337  -7.169
  610    H    ASN  81           H        ASN  81   4.551 -16.585  -7.919
  611    HA   ASN  81           HA       ASN  81   1.777 -17.365  -7.290
  612    HB2  ASN  81           2HB      ASN  81   1.831 -16.291  -5.131
  613    HB3  ASN  81           3HB      ASN  81   2.947 -17.651  -5.188
  614   HD21  ASN  81          2HD2      ASN  81   2.917 -14.059  -5.604
  615   HD22  ASN  81          1HD2      ASN  81   4.486 -13.806  -4.831
  616    H    TYR  82           H        TYR  82   2.914 -15.806  -9.537
  617    HA   TYR  82           HA       TYR  82   2.490 -13.038  -9.100
  618    HB2  TYR  82           2HB      TYR  82   2.552 -14.852 -11.480
  619    HB3  TYR  82           3HB      TYR  82   1.688 -13.348 -11.681
  620    HD1  TYR  82           2HD      TYR  82   4.452 -12.738  -9.379
  621    HD2  TYR  82           1HD      TYR  82   3.439 -13.309 -13.553
  622    HE1  TYR  82           2HE      TYR  82   6.417 -11.430 -10.050
  623    HE2  TYR  82           1HE      TYR  82   5.455 -12.055 -14.216
  624    HH   TYR  82           HH       TYR  82   7.328 -10.865 -13.477
  625    HA   PRO  83           HA       PRO  83  -2.133 -13.291  -9.877
  626    HB2  PRO  83           2HB      PRO  83  -3.522 -15.556  -9.147
  627    HB3  PRO  83           3HB      PRO  83  -2.984 -15.190 -10.813
  628    HG2  PRO  83           2HG      PRO  83  -1.643 -16.972  -8.768
  629    HG3  PRO  83           3HG      PRO  83  -1.922 -17.290 -10.509
  630    HD2  PRO  83           2HD      PRO  83   0.461 -16.425  -9.560
  631    HD3  PRO  83           3HD      PRO  83  -0.145 -15.871 -11.144
  632    H    VAL  84           H        VAL  84  -2.729 -12.040  -8.180
  633    HA   VAL  84           HA       VAL  84  -2.569 -13.027  -5.386
  634    HB   VAL  84           HB       VAL  84  -1.387 -10.911  -4.763
  635   HG11  VAL  84          1HG1      VAL  84   0.296 -12.465  -6.718
  636   HG12  VAL  84          2HG1      VAL  84   0.830 -11.580  -5.284
  637   HG13  VAL  84          3HG1      VAL  84  -0.132 -13.059  -5.101
  638   HG21  VAL  84          3HG2      VAL  84  -1.906  -9.488  -6.695
  639   HG22  VAL  84          1HG2      VAL  84  -0.158  -9.618  -6.473
  640   HG23  VAL  84          2HG2      VAL  84  -0.945 -10.533  -7.762
  641    H    SER  85           H        SER  85  -3.487 -11.356  -3.880
  642    HA   SER  85           HA       SER  85  -5.423  -9.495  -5.146
  643    HB2  SER  85           2HB      SER  85  -5.896 -11.129  -2.621
  644    HB3  SER  85           3HB      SER  85  -6.994  -9.923  -3.318
  645    HG   SER  85           HG       SER  85  -7.549 -12.089  -3.892
  646    H    ILE  86           H        ILE  86  -5.336  -7.430  -4.223
  647    HA   ILE  86           HA       ILE  86  -3.338  -7.007  -2.037
  648    HB   ILE  86           HB       ILE  86  -3.711  -5.185  -4.435
  649   HG12  ILE  86          2HG1      ILE  86  -2.797  -7.335  -5.311
  650   HG13  ILE  86          3HG1      ILE  86  -1.734  -5.958  -5.510
  651   HG21  ILE  86          1HG2      ILE  86  -1.520  -4.257  -3.716
  652   HG22  ILE  86          2HG2      ILE  86  -2.762  -4.099  -2.470
  653   HG23  ILE  86          3HG2      ILE  86  -1.540  -5.365  -2.326
  654   HD11  ILE  86          3HD1      ILE  86  -1.457  -8.030  -3.308
  655   HD12  ILE  86          1HD1      ILE  86  -0.580  -8.040  -4.849
  656   HD13  ILE  86          2HD1      ILE  86  -0.305  -6.728  -3.700
  657    H    ARG  87           H        ARG  87  -3.957  -5.468  -0.557
  658    HA   ARG  87           HA       ARG  87  -6.572  -4.061  -0.896
  659    HB2  ARG  87           2HB      ARG  87  -6.646  -6.166   0.543
  660    HB3  ARG  87           3HB      ARG  87  -5.405  -5.420   1.553
  661    HG2  ARG  87           2HG      ARG  87  -6.988  -3.535   2.009
  662    HG3  ARG  87           3HG      ARG  87  -8.257  -4.439   1.174
  663    HD2  ARG  87           2HD      ARG  87  -6.755  -5.209   3.709
  664    HD3  ARG  87           3HD      ARG  87  -8.458  -4.744   3.575
  665    HE   ARG  87           HE       ARG  87  -8.000  -7.026   1.910
  666   HH11  ARG  87          1HH2      ARG  87  -8.163  -6.271   5.397
  667   HH12  ARG  87          2HH2      ARG  87  -8.598  -7.882   5.829
  668   HH21  ARG  87          1HH1      ARG  87  -8.544  -9.002   2.432
  669   HH22  ARG  87          2HH1      ARG  87  -8.864  -9.529   4.079
  670    H    PHE  88           H        PHE  88  -6.317  -1.879  -0.498
  671    HA   PHE  88           HA       PHE  88  -3.879  -0.893   0.860
  672    HB2  PHE  88           2HB      PHE  88  -3.552   0.625  -1.191
  673    HB3  PHE  88           3HB      PHE  88  -3.108  -1.058  -1.378
  674    HD1  PHE  88           1HD      PHE  88  -5.934   1.341  -2.075
  675    HD2  PHE  88           2HD      PHE  88  -3.986  -2.359  -3.127
  676    HE1  PHE  88           1HE      PHE  88  -7.523   1.034  -3.958
  677    HE2  PHE  88           2HE      PHE  88  -5.565  -2.654  -5.020
  678    HZ   PHE  88           HZ       PHE  88  -7.340  -0.957  -5.435
  679    H    GLY  89           H        GLY  89  -3.917   1.486   1.144
  680    HA2  GLY  89           2HA      GLY  89  -6.336   3.005   0.803
  681    HA3  GLY  89           3HA      GLY  89  -6.204   2.377   2.457
  682    H    ARG  90           H        ARG  90  -6.168   4.811   2.813
  683    HA   ARG  90           HA       ARG  90  -3.712   6.277   2.363
  684    HB2  ARG  90           2HB      ARG  90  -5.879   6.563   4.517
  685    HB3  ARG  90           3HB      ARG  90  -4.474   7.606   4.387
  686    HG2  ARG  90           2HG      ARG  90  -6.189   8.811   3.383
  687    HG3  ARG  90           3HG      ARG  90  -5.198   8.235   2.051
  688    HD2  ARG  90           2HD      ARG  90  -7.347   6.330   2.613
  689    HD3  ARG  90           3HD      ARG  90  -8.016   7.960   2.462
  690    HE   ARG  90           HE       ARG  90  -6.280   7.711   0.317
  691   HH11  ARG  90          1HH2      ARG  90  -9.257   5.965   1.343
  692   HH12  ARG  90          2HH2      ARG  90  -9.519   5.382  -0.296
  693   HH21  ARG  90          1HH1      ARG  90  -6.786   6.921  -1.744
  694   HH22  ARG  90          2HH1      ARG  90  -8.228   5.913  -1.959
  695    HA   PRO  91           HA       PRO  91  -1.049   3.839   4.728
  696    HB2  PRO  91           2HB      PRO  91   0.677   5.689   5.952
  697    HB3  PRO  91           3HB      PRO  91   0.787   5.099   4.271
  698    HG2  PRO  91           2HG      PRO  91  -0.508   7.631   5.287
  699    HG3  PRO  91           3HG      PRO  91   0.534   7.411   3.842
  700    HD2  PRO  91           2HD      PRO  91  -2.150   7.551   3.613
  701    HD3  PRO  91           3HD      PRO  91  -1.227   6.374   2.629
  702    H    ARG  92           H        ARG  92  -0.597   2.954   6.770
  703    HA   ARG  92           HA       ARG  92  -1.700   4.170   9.175
  704    HB2  ARG  92           2HB      ARG  92  -3.429   2.563   7.624
  705    HB3  ARG  92           3HB      ARG  92  -2.733   1.397   8.715
  706    HG2  ARG  92           2HG      ARG  92  -4.808   2.266   9.635
  707    HG3  ARG  92           3HG      ARG  92  -3.472   2.752  10.674
  708    HD2  ARG  92           2HD      ARG  92  -5.163   4.562  10.312
  709    HD3  ARG  92           3HD      ARG  92  -3.548   5.033   9.808
  710    HE   ARG  92           HE       ARG  92  -4.109   4.872   7.548
  711   HH11  ARG  92          1HH1      ARG  92  -6.992   4.598   9.619
  712   HH12  ARG  92          2HH1      ARG  92  -8.089   4.484   8.271
  713   HH21  ARG  92          1HH2      ARG  92  -5.572   4.435   5.816
  714   HH22  ARG  92          2HH2      ARG  92  -7.294   4.474   6.120
  715    H    LEU  93           H        LEU  93  -1.414   2.460  11.020
  716    HA   LEU  93           HA       LEU  93   1.311   1.519  11.009
  717    HB2  LEU  93           2HB      LEU  93   0.008   2.322  13.027
  718    HB3  LEU  93           3HB      LEU  93  -0.989   0.869  12.900
  719    HG   LEU  93           HG       LEU  93   1.015  -0.536  13.334
  720   HD11  LEU  93          1HD1      LEU  93   2.833   0.887  12.487
  721   HD12  LEU  93          2HD1      LEU  93   2.455   2.133  13.697
  722   HD13  LEU  93          3HD1      LEU  93   3.094   0.551  14.194
  723   HD21  LEU  93          3HD2      LEU  93   0.561   1.653  15.404
  724   HD22  LEU  93          1HD2      LEU  93  -0.430   0.193  15.189
  725   HD23  LEU  93          2HD2      LEU  93   1.253   0.043  15.708
  726    H    THR  94           H        THR  94   1.993  -0.654  11.026
  727    HA   THR  94           HA       THR  94   0.173  -2.742   9.951
  728    HB   THR  94           HB       THR  94   2.130  -3.174   8.314
  729    HG1  THR  94           1HG      THR  94   3.650  -1.779   9.257
  730   HG21  THR  94          3HG2      THR  94  -0.018  -2.232   7.560
  731   HG22  THR  94          1HG2      THR  94   0.587  -0.594   7.903
  732   HG23  THR  94          2HG2      THR  94   1.366  -1.591   6.661
  733    H    SER  95           H        SER  95   1.339  -2.322  12.657
  734    HA   SER  95           HA       SER  95   2.678  -4.859  13.087
  735    HB2  SER  95           2HB      SER  95   4.672  -3.627  14.162
  736    HB3  SER  95           3HB      SER  95   4.633  -3.718  12.400
  737    HG   SER  95           HG       SER  95   5.160  -1.627  13.149
  738    H    ASN  96           H        ASN  96   3.342  -4.853  15.580
  739    HA   ASN  96           HA       ASN  96   1.733  -3.096  17.271
  740    HB2  ASN  96           2HB      ASN  96   0.105  -4.902  16.857
  741    HB3  ASN  96           3HB      ASN  96   1.334  -6.126  17.221
  742   HD21  ASN  96          1HD2      ASN  96  -0.285  -3.246  18.699
  743   HD22  ASN  96          2HD2      ASN  96  -0.242  -3.862  20.329
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1 -23.942  -0.247   2.262
    2    H2   MET   1           H2       MET   1 -24.719   0.461   3.518
    3    H3   MET   1           H3       MET   1 -24.291  -1.112   3.616
    4    HA   MET   1           HA       MET   1 -26.274   0.028   1.777
    5    HB2  MET   1           2HB      MET   1 -25.041  -1.891   0.785
    6    HB3  MET   1           3HB      MET   1 -25.496  -2.900   2.164
    7    HG2  MET   1           2HG      MET   1 -27.901  -2.557   1.584
    8    HG3  MET   1           3HG      MET   1 -27.421  -1.593   0.189
    9    HE1  MET   1           3HE      MET   1 -26.431  -2.538  -2.022
   10    HE2  MET   1           1HE      MET   1 -25.011  -3.193  -1.170
   11    HE3  MET   1           2HE      MET   1 -25.942  -4.228  -2.270
   12    H    GLY   2           H        GLY   2 -28.316   0.193   2.602
   13    HA2  GLY   2           2HA      GLY   2 -28.812  -0.417   5.405
   14    HA3  GLY   2           3HA      GLY   2 -29.892   0.388   4.261
   15    H    HIS   3           H        HIS   3 -28.358  -2.869   4.626
   16    HA   HIS   3           HA       HIS   3 -30.979  -4.194   4.508
   17    HB2  HIS   3           2HB      HIS   3 -30.127  -3.974   2.120
   18    HB3  HIS   3           3HB      HIS   3 -28.718  -4.920   2.587
   19    HD1  HIS   3           1HD      HIS   3 -29.318  -7.596   3.301
   20    HD2  HIS   3           2HD      HIS   3 -32.345  -5.246   1.534
   21    HE1  HIS   3           1HE      HIS   3 -31.103  -9.213   2.490
   22    H    HIS   4           H        HIS   4 -30.836  -6.318   5.441
   23    HA   HIS   4           HA       HIS   4 -28.910  -6.680   7.505
   24    HB2  HIS   4           2HB      HIS   4 -30.745  -8.721   6.175
   25    HB3  HIS   4           3HB      HIS   4 -29.912  -8.934   7.712
   26    HD1  HIS   4           1HD      HIS   4 -30.702  -6.917   9.651
   27    HD2  HIS   4           2HD      HIS   4 -33.184  -7.820   6.368
   28    HE1  HIS   4           1HE      HIS   4 -33.019  -6.053  10.247
   29    H    HIS   5           H        HIS   5 -27.133  -8.062   7.657
   30    HA   HIS   5           HA       HIS   5 -26.139  -9.562   5.341
   31    HB2  HIS   5           2HB      HIS   5 -24.755  -7.137   6.574
   32    HB3  HIS   5           3HB      HIS   5 -23.847  -8.418   5.789
   33    HD1  HIS   5           1HD      HIS   5 -26.431  -5.692   4.816
   34    HD2  HIS   5           2HD      HIS   5 -23.737  -8.488   3.172
   35    HE1  HIS   5           1HE      HIS   5 -26.275  -5.172   2.332
   36    H    HIS   6           H        HIS   6 -24.361 -10.966   6.034
   37    HA   HIS   6           HA       HIS   6 -24.226 -11.462   8.978
   38    HB2  HIS   6           2HB      HIS   6 -24.244 -13.878   8.434
   39    HB3  HIS   6           3HB      HIS   6 -25.736 -13.060   7.996
   40    HD1  HIS   6           1HD      HIS   6 -22.524 -14.347   6.161
   41    HD2  HIS   6           2HD      HIS   6 -26.577 -13.371   5.547
   42    HE1  HIS   6           1HE      HIS   6 -23.064 -15.013   3.773
   43    H    HIS   7           H        HIS   7 -22.419 -10.614   6.275
   44    HA   HIS   7           HA       HIS   7 -19.887 -11.415   7.534
   45    HB2  HIS   7           2HB      HIS   7 -20.597 -11.870   4.594
   46    HB3  HIS   7           3HB      HIS   7 -18.966 -11.913   5.246
   47    HD1  HIS   7           1HD      HIS   7 -20.556 -13.763   7.844
   48    HD2  HIS   7           2HD      HIS   7 -19.800 -14.431   3.755
   49    HE1  HIS   7           1HE      HIS   7 -20.537 -16.294   7.522
   50    H    HIS   8           H        HIS   8 -18.235  -9.864   6.965
   51    HA   HIS   8           HA       HIS   8 -19.039  -7.409   5.548
   52    HB2  HIS   8           2HB      HIS   8 -18.115  -7.432   8.458
   53    HB3  HIS   8           3HB      HIS   8 -18.479  -6.010   7.488
   54    HD1  HIS   8           1HD      HIS   8 -20.157  -8.438   9.801
   55    HD2  HIS   8           2HD      HIS   8 -21.194  -5.721   6.755
   56    HE1  HIS   8           1HE      HIS   8 -22.662  -8.037  10.022
   57    H    LEU   9           H        LEU   9 -17.086  -5.907   5.452
   58    HA   LEU   9           HA       LEU   9 -14.446  -7.210   5.739
   59    HB2  LEU   9           2HB      LEU   9 -15.642  -5.876   3.273
   60    HB3  LEU   9           3HB      LEU   9 -13.910  -6.124   3.478
   61    HG   LEU   9           HG       LEU   9 -15.984  -8.358   3.336
   62   HD11  LEU   9          1HD1      LEU   9 -15.090  -8.802   1.107
   63   HD12  LEU   9          2HD1      LEU   9 -15.715  -7.151   1.196
   64   HD13  LEU   9          3HD1      LEU   9 -13.962  -7.439   1.247
   65   HD21  LEU   9          3HD2      LEU   9 -14.008  -9.849   3.050
   66   HD22  LEU   9          1HD2      LEU   9 -12.929  -8.477   3.382
   67   HD23  LEU   9          2HD2      LEU   9 -14.030  -9.086   4.637
   68    H    ASP  10           H        ASP  10 -12.785  -5.608   5.955
   69    HA   ASP  10           HA       ASP  10 -13.575  -3.382   7.535
   70    HB2  ASP  10           2HB      ASP  10 -11.513  -4.794   7.769
   71    HB3  ASP  10           3HB      ASP  10 -10.860  -4.024   6.324
   72    H    SER  11           H        SER  11 -13.778  -3.514   4.258
   73    HA   SER  11           HA       SER  11 -12.378  -1.494   3.074
   74    HB2  SER  11           2HB      SER  11 -15.241  -2.336   2.498
   75    HB3  SER  11           3HB      SER  11 -14.058  -1.719   1.321
   76    HG   SER  11           HG       SER  11 -14.323  -4.046   1.360
   77    H    TYR  12           H        TYR  12 -15.158  -1.028   5.184
   78    HA   TYR  12           HA       TYR  12 -15.906   1.568   4.126
   79    HB2  TYR  12           2HB      TYR  12 -17.403   1.647   6.078
   80    HB3  TYR  12           3HB      TYR  12 -17.572   0.159   5.168
   81    HD1  TYR  12           1HD      TYR  12 -16.327   1.644   8.349
   82    HD2  TYR  12           2HD      TYR  12 -16.962  -2.001   6.125
   83    HE1  TYR  12           1HE      TYR  12 -15.857   0.319  10.387
   84    HE2  TYR  12           2HE      TYR  12 -16.476  -3.328   8.133
   85    HH   TYR  12           HH       TYR  12 -15.920  -3.279  10.410
   86    H    ALA  13           H        ALA  13 -13.412   0.508   6.364
   87    HA   ALA  13           HA       ALA  13 -13.408   2.806   8.071
   88    HB1  ALA  13           3HB      ALA  13 -11.152   0.882   7.346
   89    HB2  ALA  13           1HB      ALA  13 -11.143   2.027   8.703
   90    HB3  ALA  13           2HB      ALA  13 -12.308   0.688   8.684
   91    HA   PRO  14           HA       PRO  14 -11.930   5.644   5.004
   92    HB2  PRO  14           2HB      PRO  14 -10.997   7.750   6.529
   93    HB3  PRO  14           3HB      PRO  14 -12.727   7.369   6.281
   94    HG2  PRO  14           2HG      PRO  14 -10.967   6.594   8.623
   95    HG3  PRO  14           3HG      PRO  14 -12.615   7.299   8.659
   96    HD2  PRO  14           2HD      PRO  14 -12.202   4.626   8.940
   97    HD3  PRO  14           3HD      PRO  14 -13.603   5.246   8.013
   98    H    ARG  15           H        ARG  15  -9.674   4.558   7.528
   99    HA   ARG  15           HA       ARG  15  -7.288   5.476   6.154
  100    HB2  ARG  15           2HB      ARG  15  -7.660   3.327   8.289
  101    HB3  ARG  15           3HB      ARG  15  -6.105   3.927   7.705
  102    HG2  ARG  15           2HG      ARG  15  -6.753   6.245   8.425
  103    HG3  ARG  15           3HG      ARG  15  -8.209   5.579   9.174
  104    HD2  ARG  15           2HD      ARG  15  -5.340   4.815   9.863
  105    HD3  ARG  15           3HD      ARG  15  -6.354   5.935  10.787
  106    HE   ARG  15           HE       ARG  15  -7.839   3.597  10.643
  107   HH11  ARG  15          2HH1      ARG  15  -4.681   4.521  11.972
  108   HH12  ARG  15          1HH1      ARG  15  -4.681   3.308  13.198
  109   HH21  ARG  15          1HH2      ARG  15  -7.838   1.970  12.272
  110   HH22  ARG  15          2HH2      ARG  15  -6.523   1.834  13.373
  111    H    ALA  16           H        ALA  16  -9.520   3.069   5.223
  112    HA   ALA  16           HA       ALA  16  -7.414   1.478   3.850
  113    HB1  ALA  16           3HB      ALA  16  -8.305   0.279   5.833
  114    HB2  ALA  16           1HB      ALA  16  -9.949   0.442   5.167
  115    HB3  ALA  16           2HB      ALA  16  -8.729  -0.520   4.310
  116    H    GLU  17           H        GLU  17  -8.411   0.142   2.115
  117    HA   GLU  17           HA       GLU  17 -10.871   1.223   0.867
  118    HB2  GLU  17           2HB      GLU  17  -8.182   0.681  -0.481
  119    HB3  GLU  17           3HB      GLU  17  -9.683   0.825  -1.376
  120    HG2  GLU  17           2HG      GLU  17  -8.442   3.001   0.357
  121    HG3  GLU  17           3HG      GLU  17  -8.388   2.905  -1.392
  122    H    ALA  18           H        ALA  18 -11.460  -0.448  -0.962
  123    HA   ALA  18           HA       ALA  18 -11.886  -3.029   0.233
  124    HB1  ALA  18           3HB      ALA  18 -12.227  -2.079  -2.644
  125    HB2  ALA  18           1HB      ALA  18 -12.891  -3.571  -1.952
  126    HB3  ALA  18           2HB      ALA  18 -13.467  -2.002  -1.367
  127    H    GLU  19           H        GLU  19 -11.238  -5.075  -0.871
  128    HA   GLU  19           HA       GLU  19  -8.413  -5.027  -1.748
  129    HB2  GLU  19           2HB      GLU  19  -8.424  -7.421  -1.396
  130    HB3  GLU  19           3HB      GLU  19  -8.976  -6.575   0.046
  131    HG2  GLU  19           2HG      GLU  19 -11.361  -7.104  -0.634
  132    HG3  GLU  19           3HG      GLU  19 -10.702  -8.103  -1.935
  133    H    LYS  20           H        LYS  20  -7.822  -6.170  -3.698
  134    HA   LYS  20           HA       LYS  20  -9.920  -6.686  -5.716
  135    HB2  LYS  20           2HB      LYS  20  -7.631  -4.685  -6.029
  136    HB3  LYS  20           3HB      LYS  20  -8.563  -5.305  -7.382
  137    HG2  LYS  20           2HG      LYS  20  -9.692  -3.634  -5.096
  138    HG3  LYS  20           3HG      LYS  20  -9.220  -3.038  -6.684
  139    HD2  LYS  20           2HD      LYS  20 -10.948  -4.457  -7.768
  140    HD3  LYS  20           3HD      LYS  20 -11.412  -5.103  -6.194
  141    HE2  LYS  20           2HE      LYS  20 -13.010  -3.433  -6.747
  142    HE3  LYS  20           3HE      LYS  20 -12.021  -2.815  -5.424
  143    HZ1  LYS  20           3HZ      LYS  20 -11.711  -2.083  -8.284
  144    HZ2  LYS  20           1HZ      LYS  20 -12.394  -1.151  -7.140
  145    HZ3  LYS  20           2HZ      LYS  20 -10.803  -1.482  -7.061
  146    H    THR  21           H        THR  21  -8.806  -7.656  -7.718
  147    HA   THR  21           HA       THR  21  -6.736  -9.578  -6.773
  148    HB   THR  21           HB       THR  21  -8.721  -9.910  -9.048
  149    HG1  THR  21           1HG      THR  21  -9.874  -9.718  -7.136
  150   HG21  THR  21          3HG2      THR  21  -7.090 -11.941  -7.454
  151   HG22  THR  21          1HG2      THR  21  -8.267 -12.320  -8.730
  152   HG23  THR  21          2HG2      THR  21  -6.782 -11.450  -9.134
  153    H    PHE  22           H        PHE  22  -4.911  -9.955  -8.100
  154    HA   PHE  22           HA       PHE  22  -4.473  -8.184 -10.437
  155    HB2  PHE  22           2HB      PHE  22  -2.655  -8.332  -7.997
  156    HB3  PHE  22           3HB      PHE  22  -2.304  -7.474  -9.480
  157    HD1  PHE  22           2HD      PHE  22  -4.353  -7.463  -6.386
  158    HD2  PHE  22           1HD      PHE  22  -3.325  -5.305  -9.979
  159    HE1  PHE  22           2HE      PHE  22  -5.408  -5.417  -5.463
  160    HE2  PHE  22           1HE      PHE  22  -4.371  -3.259  -9.044
  161    HZ   PHE  22           HZ       PHE  22  -5.410  -3.308  -6.784
  162    H    SER  23           H        SER  23  -2.485  -8.806 -11.597
  163    HA   SER  23           HA       SER  23  -1.011 -11.168 -10.934
  164    HB2  SER  23           2HB      SER  23  -2.722 -11.172 -13.466
  165    HB3  SER  23           3HB      SER  23  -1.465 -12.357 -13.061
  166    HG   SER  23           HG       SER  23  -3.334 -11.988 -11.084
  167    H    TYR  24           H        TYR  24   0.691 -11.431 -12.872
  168    HA   TYR  24           HA       TYR  24   1.410  -8.726 -13.849
  169    HB2  TYR  24           2HB      TYR  24   3.184 -10.657 -12.336
  170    HB3  TYR  24           3HB      TYR  24   3.659  -9.065 -12.888
  171    HD1  TYR  24           1HD      TYR  24   1.667  -7.204 -12.000
  172    HD2  TYR  24           2HD      TYR  24   3.059 -10.774 -10.019
  173    HE1  TYR  24           1HE      TYR  24   0.894  -6.298  -9.843
  174    HE2  TYR  24           2HE      TYR  24   2.266  -9.877  -7.842
  175    HH   TYR  24           HH       TYR  24   0.696  -6.651  -7.569
  176    HA   PRO  25           HA       PRO  25   3.671  -8.092 -14.819
  177    HB2  PRO  25           2HB      PRO  25   4.318  -7.323 -17.349
  178    HB3  PRO  25           3HB      PRO  25   5.348  -8.410 -16.370
  179    HG2  PRO  25           2HG      PRO  25   3.344  -9.174 -18.514
  180    HG3  PRO  25           3HG      PRO  25   5.024  -9.761 -18.305
  181    HD2  PRO  25           2HD      PRO  25   2.851 -11.160 -17.396
  182    HD3  PRO  25           3HD      PRO  25   4.411 -11.164 -16.522
  183    H    LEU  26           H        LEU  26   2.582  -6.150 -14.892
  184    HA   LEU  26           HA       LEU  26   0.569  -5.474 -16.827
  185    HB2  LEU  26           2HB      LEU  26  -0.827  -7.013 -15.499
  186    HB3  LEU  26           3HB      LEU  26  -0.322  -6.235 -14.004
  187    HG   LEU  26           HG       LEU  26  -1.487  -4.148 -14.670
  188   HD11  LEU  26          1HD1      LEU  26  -1.369  -4.280 -17.121
  189   HD12  LEU  26          2HD1      LEU  26  -2.374  -5.747 -17.115
  190   HD13  LEU  26          3HD1      LEU  26  -3.053  -4.184 -16.608
  191   HD21  LEU  26          3HD2      LEU  26  -3.773  -5.000 -14.404
  192   HD22  LEU  26          1HD2      LEU  26  -3.231  -6.639 -14.837
  193   HD23  LEU  26          2HD2      LEU  26  -2.650  -5.869 -13.346
  194    H    ASP  27           H        ASP  27   1.334  -4.969 -13.345
  195    HA   ASP  27           HA       ASP  27   2.670  -2.423 -13.758
  196    HB2  ASP  27           2HB      ASP  27   0.437  -1.513 -13.708
  197    HB3  ASP  27           3HB      ASP  27  -0.076  -2.649 -12.455
  198    H    LEU  28           H        LEU  28   4.158  -2.273 -12.101
  199    HA   LEU  28           HA       LEU  28   3.605  -3.451  -9.507
  200    HB2  LEU  28           2HB      LEU  28   4.800  -5.252 -10.961
  201    HB3  LEU  28           3HB      LEU  28   6.214  -4.209 -10.868
  202    HG   LEU  28           HG       LEU  28   6.040  -4.406  -8.300
  203   HD11  LEU  28          1HD1      LEU  28   4.762  -6.293  -7.390
  204   HD12  LEU  28          2HD1      LEU  28   3.661  -5.136  -8.139
  205   HD13  LEU  28          3HD1      LEU  28   4.079  -6.632  -8.994
  206   HD21  LEU  28          3HD2      LEU  28   7.649  -5.722  -9.620
  207   HD22  LEU  28          1HD2      LEU  28   7.034  -6.652  -8.247
  208   HD23  LEU  28          2HD2      LEU  28   6.422  -6.979  -9.884
  209    H    LEU  29           H        LEU  29   3.744  -0.772 -10.642
  210    HA   LEU  29           HA       LEU  29   6.286   0.413  -9.809
  211    HB2  LEU  29           2HB      LEU  29   3.673   1.681 -10.703
  212    HB3  LEU  29           3HB      LEU  29   5.167   2.552 -10.371
  213    HG   LEU  29           HG       LEU  29   4.832   0.436 -12.549
  214   HD11  LEU  29          1HD1      LEU  29   3.593   2.537 -13.009
  215   HD12  LEU  29          2HD1      LEU  29   5.108   3.455 -12.827
  216   HD13  LEU  29          3HD1      LEU  29   4.928   2.270 -14.136
  217   HD21  LEU  29          3HD2      LEU  29   7.030   1.284 -13.375
  218   HD22  LEU  29          1HD2      LEU  29   7.192   2.254 -11.894
  219   HD23  LEU  29          2HD2      LEU  29   7.159   0.477 -11.815
  220    H    LEU  30           H        LEU  30   6.099  -0.687  -7.744
  221    HA   LEU  30           HA       LEU  30   4.838   1.041  -5.668
  222    HB2  LEU  30           2HB      LEU  30   5.552  -1.923  -5.456
  223    HB3  LEU  30           3HB      LEU  30   4.977  -0.890  -4.172
  224    HG   LEU  30           HG       LEU  30   3.216  -2.289  -4.713
  225   HD11  LEU  30          1HD1      LEU  30   2.537   0.321  -6.108
  226   HD12  LEU  30          2HD1      LEU  30   1.409  -0.810  -5.342
  227   HD13  LEU  30          3HD1      LEU  30   2.568   0.076  -4.339
  228   HD21  LEU  30          3HD2      LEU  30   3.242  -1.480  -7.636
  229   HD22  LEU  30          1HD2      LEU  30   3.999  -2.961  -6.997
  230   HD23  LEU  30          2HD2      LEU  30   2.252  -2.713  -6.845
  231    H    LYS  31           H        LYS  31   6.314   1.352  -3.786
  232    HA   LYS  31           HA       LYS  31   9.048   0.319  -4.125
  233    HB2  LYS  31           2HB      LYS  31  10.221   2.280  -4.007
  234    HB3  LYS  31           3HB      LYS  31   8.959   2.674  -5.149
  235    HG2  LYS  31           2HG      LYS  31   9.114   3.526  -2.219
  236    HG3  LYS  31           3HG      LYS  31   9.473   4.510  -3.629
  237    HD2  LYS  31           2HD      LYS  31   7.066   4.301  -4.343
  238    HD3  LYS  31           3HD      LYS  31   6.740   3.411  -2.856
  239    HE2  LYS  31           2HE      LYS  31   6.063   5.706  -2.553
  240    HE3  LYS  31           3HE      LYS  31   7.446   5.366  -1.509
  241    HZ1  LYS  31           3HZ      LYS  31   7.574   6.824  -4.098
  242    HZ2  LYS  31           1HZ      LYS  31   7.654   7.505  -2.624
  243    HZ3  LYS  31           2HZ      LYS  31   8.856   6.530  -3.124
  244    H    LEU  32           H        LEU  32  10.285   0.329  -2.140
  245    HA   LEU  32           HA       LEU  32   8.569  -0.027   0.219
  246    HB2  LEU  32           2HB      LEU  32  10.570  -1.513  -0.611
  247    HB3  LEU  32           3HB      LEU  32  11.587  -0.315   0.186
  248    HG   LEU  32           HG       LEU  32   9.337  -1.836   1.572
  249   HD11  LEU  32          1HD1      LEU  32  11.041  -3.376   0.645
  250   HD12  LEU  32          2HD1      LEU  32  12.318  -2.468   1.484
  251   HD13  LEU  32          3HD1      LEU  32  11.077  -3.348   2.399
  252   HD21  LEU  32          3HD2      LEU  32   9.967   0.161   2.832
  253   HD22  LEU  32          1HD2      LEU  32  10.631  -1.252   3.639
  254   HD23  LEU  32          2HD2      LEU  32  11.696  -0.226   2.661
  255    H    HIS  33           H        HIS  33   8.274   1.647   1.655
  256    HA   HIS  33           HA       HIS  33  10.288   3.690   2.116
  257    HB2  HIS  33           2HB      HIS  33   9.146   4.496   0.017
  258    HB3  HIS  33           3HB      HIS  33   7.605   4.459   0.875
  259    HD1  HIS  33           1HD      HIS  33  10.953   6.400   0.851
  260    HD2  HIS  33           2HD      HIS  33   7.080   6.535   2.499
  261    HE1  HIS  33           1HE      HIS  33  10.723   8.680   1.955
  262    H    ASP  34           H        ASP  34   9.844   4.725   4.115
  263    HA   ASP  34           HA       ASP  34   9.104   4.819   6.244
  264    HB2  ASP  34           2HB      ASP  34   7.446   6.210   5.111
  265    HB3  ASP  34           3HB      ASP  34   6.396   4.815   4.869
  266    H    GLU  35           H        GLU  35   9.852   2.276   5.466
  267    HA   GLU  35           HA       GLU  35   9.764   0.080   5.855
  268    HB2  GLU  35           2HB      GLU  35   8.442   0.994   8.452
  269    HB3  GLU  35           3HB      GLU  35   9.126  -0.604   8.200
  270    HG2  GLU  35           2HG      GLU  35  10.815   1.917   7.959
  271    HG3  GLU  35           3HG      GLU  35  10.522   1.090   9.481
  272    H    ARG  36           H        ARG  36   7.437   1.246   4.453
  273    HA   ARG  36           HA       ARG  36   5.625  -1.108   4.561
  274    HB2  ARG  36           2HB      ARG  36   5.070   1.888   4.359
  275    HB3  ARG  36           3HB      ARG  36   3.916   0.718   3.721
  276    HG2  ARG  36           2HG      ARG  36   3.477  -0.237   5.815
  277    HG3  ARG  36           3HG      ARG  36   4.877   0.507   6.595
  278    HD2  ARG  36           2HD      ARG  36   2.888   2.376   5.363
  279    HD3  ARG  36           3HD      ARG  36   2.324   1.464   6.765
  280    HE   ARG  36           HE       ARG  36   4.354   3.596   6.712
  281   HH11  ARG  36          1HH2      ARG  36   3.156   0.846   8.689
  282   HH12  ARG  36          2HH2      ARG  36   3.799   1.549  10.153
  283   HH21  ARG  36          1HH1      ARG  36   5.114   4.390   8.567
  284   HH22  ARG  36          2HH1      ARG  36   4.871   3.590  10.122
  285    H    VAL  37           H        VAL  37   4.329  -0.834   2.257
  286    HA   VAL  37           HA       VAL  37   6.287  -0.083   0.158
  287    HB   VAL  37           HB       VAL  37   4.522  -2.563   0.246
  288   HG11  VAL  37          1HG1      VAL  37   4.299  -1.562  -1.983
  289   HG12  VAL  37          2HG1      VAL  37   6.069  -1.395  -2.109
  290   HG13  VAL  37          3HG1      VAL  37   5.310  -3.003  -2.071
  291   HG21  VAL  37          3HG2      VAL  37   6.707  -3.697  -0.243
  292   HG22  VAL  37          1HG2      VAL  37   7.530  -2.140  -0.123
  293   HG23  VAL  37          2HG2      VAL  37   6.737  -2.841   1.304
  294    H    LEU  38           H        LEU  38   5.488   1.378  -1.175
  295    HA   LEU  38           HA       LEU  38   2.637   2.167  -0.845
  296    HB2  LEU  38           2HB      LEU  38   4.997   4.035  -1.260
  297    HB3  LEU  38           3HB      LEU  38   3.321   4.495  -1.010
  298    HG   LEU  38           HG       LEU  38   5.221   3.309   1.035
  299   HD11  LEU  38          1HD1      LEU  38   4.991   5.480   2.140
  300   HD12  LEU  38          2HD1      LEU  38   5.546   5.717   0.473
  301   HD13  LEU  38          3HD1      LEU  38   3.849   6.027   0.896
  302   HD21  LEU  38          3HD2      LEU  38   2.291   4.042   1.344
  303   HD22  LEU  38          1HD2      LEU  38   3.031   2.438   1.575
  304   HD23  LEU  38          2HD2      LEU  38   3.405   3.737   2.702
  305    H    VAL  39           H        VAL  39   1.751   3.288  -2.658
  306    HA   VAL  39           HA       VAL  39   2.436   2.349  -5.268
  307    HB   VAL  39           HB       VAL  39   0.773   4.728  -4.342
  308   HG11  VAL  39          1HG1      VAL  39  -0.312   4.594  -6.552
  309   HG12  VAL  39          2HG1      VAL  39   1.397   4.961  -6.730
  310   HG13  VAL  39          3HG1      VAL  39   0.809   3.311  -7.046
  311   HG21  VAL  39          3HG2      VAL  39  -1.164   3.263  -4.730
  312   HG22  VAL  39          1HG2      VAL  39  -0.084   1.905  -5.119
  313   HG23  VAL  39          2HG2      VAL  39  -0.120   2.585  -3.481
  314    H    ALA  40           H        ALA  40   4.135   2.929  -6.510
  315    HA   ALA  40           HA       ALA  40   5.650   5.395  -5.921
  316    HB1  ALA  40           3HB      ALA  40   6.816   3.165  -6.331
  317    HB2  ALA  40           1HB      ALA  40   6.238   3.249  -8.008
  318    HB3  ALA  40           2HB      ALA  40   7.335   4.489  -7.390
  319    H    PHE  41           H        PHE  41   3.463   4.010  -8.347
  320    HA   PHE  41           HA       PHE  41   3.044   6.723  -9.395
  321    HB2  PHE  41           2HB      PHE  41   4.731   5.769 -10.942
  322    HB3  PHE  41           3HB      PHE  41   3.677   4.383 -11.218
  323    HD1  PHE  41           2HD      PHE  41   3.962   8.090 -11.642
  324    HD2  PHE  41           1HD      PHE  41   1.833   4.511 -12.781
  325    HE1  PHE  41           2HE      PHE  41   2.767   9.358 -13.411
  326    HE2  PHE  41           1HE      PHE  41   0.639   5.785 -14.543
  327    HZ   PHE  41           HZ       PHE  41   1.103   8.209 -14.864
  328    H    GLY  42           H        GLY  42   0.902   7.040  -9.465
  329    HA2  GLY  42           2HA      GLY  42  -1.071   5.473 -10.577
  330    HA3  GLY  42           3HA      GLY  42  -1.051   5.045  -8.852
  331    H    GLN  43           H        GLN  43  -3.112   6.602 -10.351
  332    HA   GLN  43           HA       GLN  43  -3.234   9.026  -8.706
  333    HB2  GLN  43           2HB      GLN  43  -3.353  10.516 -10.743
  334    HB3  GLN  43           3HB      GLN  43  -1.768   9.890 -10.337
  335    HG2  GLN  43           2HG      GLN  43  -1.861   8.231 -12.112
  336    HG3  GLN  43           3HG      GLN  43  -3.532   8.677 -12.500
  337   HE21  GLN  43          2HE2      GLN  43  -0.122   9.649 -12.744
  338   HE22  GLN  43          1HE2      GLN  43  -0.381  10.967 -13.857
  339    H    ARG  44           H        ARG  44  -4.878   6.791  -8.685
  340    HA   ARG  44           HA       ARG  44  -7.451   7.948  -9.616
  341    HB2  ARG  44           2HB      ARG  44  -6.688   4.992  -9.642
  342    HB3  ARG  44           3HB      ARG  44  -8.311   5.601  -9.890
  343    HG2  ARG  44           2HG      ARG  44  -5.960   6.120 -11.766
  344    HG3  ARG  44           3HG      ARG  44  -7.158   4.850 -11.944
  345    HD2  ARG  44           2HD      ARG  44  -7.848   6.542 -13.420
  346    HD3  ARG  44           3HD      ARG  44  -8.961   6.635 -12.042
  347    HE   ARG  44           HE       ARG  44  -6.734   8.367 -11.616
  348   HH11  ARG  44          1HH1      ARG  44  -9.617   8.252 -13.690
  349   HH12  ARG  44          2HH1      ARG  44  -9.739   9.968 -13.820
  350   HH21  ARG  44          1HH2      ARG  44  -6.886  10.545 -11.744
  351   HH22  ARG  44          2HH2      ARG  44  -8.115  11.334 -12.683
  352    H    ASP  45           H        ASP  45  -9.226   7.237  -8.197
  353    HA   ASP  45           HA       ASP  45  -8.665   7.865  -5.539
  354    HB2  ASP  45           2HB      ASP  45 -10.875   8.135  -6.488
  355    HB3  ASP  45           3HB      ASP  45 -11.030   6.395  -6.755
  356    H    GLY  46           H        GLY  46  -7.898   6.764  -3.830
  357    HA2  GLY  46           2HA      GLY  46  -7.554   5.026  -2.361
  358    HA3  GLY  46           3HA      GLY  46  -8.389   3.925  -3.462
  359    H    ILE  47           H        ILE  47  -6.132   5.300  -5.449
  360    HA   ILE  47           HA       ILE  47  -3.861   3.634  -4.598
  361    HB   ILE  47           HB       ILE  47  -5.516   2.258  -5.909
  362   HG12  ILE  47          2HG1      ILE  47  -3.866   1.272  -7.536
  363   HG13  ILE  47          3HG1      ILE  47  -2.714   2.506  -7.041
  364   HG21  ILE  47          1HG2      ILE  47  -5.755   2.508  -8.299
  365   HG22  ILE  47          2HG2      ILE  47  -6.319   3.960  -7.471
  366   HG23  ILE  47          3HG2      ILE  47  -4.741   3.961  -8.296
  367   HD11  ILE  47          3HD1      ILE  47  -2.906   1.661  -4.671
  368   HD12  ILE  47          1HD1      ILE  47  -4.041   0.424  -5.243
  369   HD13  ILE  47          2HD1      ILE  47  -2.360   0.417  -5.809
  370    H    ARG  48           H        ARG  48  -4.416   6.524  -4.755
  371    HA   ARG  48           HA       ARG  48  -2.749   7.609  -6.869
  372    HB2  ARG  48           2HB      ARG  48  -4.518   8.842  -5.403
  373    HB3  ARG  48           3HB      ARG  48  -3.292   8.837  -4.143
  374    HG2  ARG  48           2HG      ARG  48  -1.850   9.941  -6.224
  375    HG3  ARG  48           3HG      ARG  48  -3.477  10.410  -6.687
  376    HD2  ARG  48           2HD      ARG  48  -2.510  12.181  -5.369
  377    HD3  ARG  48           3HD      ARG  48  -3.789  11.418  -4.404
  378    HE   ARG  48           HE       ARG  48  -1.232  10.185  -3.875
  379   HH11  ARG  48          1HH1      ARG  48  -2.997  13.180  -3.124
  380   HH12  ARG  48          2HH1      ARG  48  -2.162  13.440  -1.637
  381   HH21  ARG  48          1HH2      ARG  48  -0.179  10.489  -1.990
  382   HH22  ARG  48          2HH2      ARG  48  -0.483  11.860  -0.959
  383    H    VAL  49           H        VAL  49  -0.494   8.304  -6.592
  384    HA   VAL  49           HA       VAL  49   1.342   6.790  -5.229
  385    HB   VAL  49           HB       VAL  49   2.805   8.852  -5.227
  386   HG11  VAL  49          1HG1      VAL  49   3.091   8.840  -7.618
  387   HG12  VAL  49          2HG1      VAL  49   2.658   7.209  -7.084
  388   HG13  VAL  49          3HG1      VAL  49   1.446   8.243  -7.878
  389   HG21  VAL  49          3HG2      VAL  49   1.018  10.610  -5.054
  390   HG22  VAL  49          1HG2      VAL  49   2.100  10.839  -6.432
  391   HG23  VAL  49          2HG2      VAL  49   0.479  10.185  -6.698
  392    H    GLY  50           H        GLY  50   2.189   6.572  -3.220
  393    HA2  GLY  50           2HA      GLY  50   2.630   7.159  -1.009
  394    HA3  GLY  50           3HA      GLY  50   1.436   8.454  -1.079
  395    H    HIS  51           H        HIS  51  -0.401   6.024  -2.303
  396    HA   HIS  51           HA       HIS  51  -1.580   5.276   0.277
  397    HB2  HIS  51           2HB      HIS  51  -2.087   4.361  -2.580
  398    HB3  HIS  51           3HB      HIS  51  -2.832   3.582  -1.191
  399    HD1  HIS  51           1HD      HIS  51  -2.777   7.028  -2.869
  400    HD2  HIS  51           2HD      HIS  51  -4.939   4.766  -0.064
  401    HE1  HIS  51           1HE      HIS  51  -4.896   8.382  -2.314
  402    H    ALA  52           H        ALA  52  -1.595   3.053   1.042
  403    HA   ALA  52           HA       ALA  52   1.073   1.770   0.668
  404    HB1  ALA  52           3HB      ALA  52   0.967   1.306   3.076
  405    HB2  ALA  52           1HB      ALA  52   0.726   3.049   2.831
  406    HB3  ALA  52           2HB      ALA  52  -0.662   2.002   3.178
  407    H    VAL  53           H        VAL  53   1.167  -0.464   0.744
  408    HA   VAL  53           HA       VAL  53  -1.250  -2.009   0.196
  409    HB   VAL  53           HB       VAL  53   1.596  -2.853   0.949
  410   HG11  VAL  53          1HG1      VAL  53   0.924  -5.056  -0.047
  411   HG12  VAL  53          2HG1      VAL  53   0.064  -4.684   1.447
  412   HG13  VAL  53          3HG1      VAL  53  -0.754  -4.477  -0.114
  413   HG21  VAL  53          3HG2      VAL  53   0.260  -2.786  -1.788
  414   HG22  VAL  53          1HG2      VAL  53   1.504  -1.642  -1.232
  415   HG23  VAL  53          2HG2      VAL  53   1.903  -3.350  -1.432
  416    H    LEU  54           H        LEU  54  -2.456  -3.112   1.740
  417    HA   LEU  54           HA       LEU  54  -1.635  -2.896   4.607
  418    HB2  LEU  54           2HB      LEU  54  -4.427  -2.654   3.432
  419    HB3  LEU  54           3HB      LEU  54  -4.049  -2.795   5.145
  420    HG   LEU  54           HG       LEU  54  -3.298  -0.474   3.322
  421   HD11  LEU  54          1HD1      LEU  54  -4.836   0.758   4.876
  422   HD12  LEU  54          2HD1      LEU  54  -5.643  -0.525   3.945
  423   HD13  LEU  54          3HD1      LEU  54  -5.239  -0.776   5.657
  424   HD21  LEU  54          3HD2      LEU  54  -2.668  -0.849   6.279
  425   HD22  LEU  54          1HD2      LEU  54  -1.495  -0.690   4.957
  426   HD23  LEU  54          2HD2      LEU  54  -2.509   0.680   5.381
  427    H    ALA  55           H        ALA  55  -3.060  -4.968   2.020
  428    HA   ALA  55           HA       ALA  55  -2.117  -7.188   3.664
  429    HB1  ALA  55           3HB      ALA  55  -4.525  -6.953   4.404
  430    HB2  ALA  55           1HB      ALA  55  -5.011  -7.293   2.724
  431    HB3  ALA  55           2HB      ALA  55  -4.122  -8.508   3.665
  432    H    ILE  56           H        ILE  56  -1.927  -9.177   2.447
  433    HA   ILE  56           HA       ILE  56  -2.469  -9.068  -0.458
  434    HB   ILE  56           HB       ILE  56   0.202  -9.994   0.678
  435   HG12  ILE  56          2HG1      ILE  56  -0.251  -7.554  -1.090
  436   HG13  ILE  56          3HG1      ILE  56  -0.007  -7.473   0.657
  437   HG21  ILE  56          1HG2      ILE  56   0.805 -10.281  -1.741
  438   HG22  ILE  56          2HG2      ILE  56  -0.571 -11.277  -1.299
  439   HG23  ILE  56          3HG2      ILE  56  -0.839  -9.784  -2.193
  440   HD11  ILE  56          3HD1      ILE  56   2.187  -8.668   0.365
  441   HD12  ILE  56          1HD1      ILE  56   2.010  -8.417  -1.389
  442   HD13  ILE  56          2HD1      ILE  56   2.075  -7.028  -0.295
  443    H    ASN  57           H        ASN  57  -3.291 -11.055  -1.072
  444    HA   ASN  57           HA       ASN  57  -4.291 -13.074  -0.862
  445    HB2  ASN  57           2HB      ASN  57  -1.602 -13.791   0.365
  446    HB3  ASN  57           3HB      ASN  57  -2.780 -14.954  -0.225
  447   HD21  ASN  57          2HD2      ASN  57  -0.034 -14.617  -1.155
  448   HD22  ASN  57          1HD2      ASN  57  -0.178 -14.384  -2.877
  449    H    GLY  58           H        GLY  58  -4.778 -11.233   1.373
  450    HA2  GLY  58           2HA      GLY  58  -6.248 -11.374   3.163
  451    HA3  GLY  58           3HA      GLY  58  -5.998 -13.120   3.260
  452    H    MET  59           H        MET  59  -2.881 -12.099   3.182
  453    HA   MET  59           HA       MET  59  -2.543 -12.074   6.105
  454    HB2  MET  59           2HB      MET  59  -0.533 -11.856   3.814
  455    HB3  MET  59           3HB      MET  59  -0.149 -11.843   5.528
  456    HG2  MET  59           2HG      MET  59  -1.159 -14.121   5.745
  457    HG3  MET  59           3HG      MET  59  -1.416 -14.136   3.993
  458    HE1  MET  59           3HE      MET  59  -0.118 -16.417   3.791
  459    HE2  MET  59           1HE      MET  59   1.510 -16.702   4.442
  460    HE3  MET  59           2HE      MET  59   0.147 -16.433   5.550
  461    H    ASP  60           H        ASP  60  -3.127 -10.158   6.997
  462    HA   ASP  60           HA       ASP  60  -2.838  -7.537   5.883
  463    HB2  ASP  60           2HB      ASP  60  -4.251  -8.131   7.847
  464    HB3  ASP  60           3HB      ASP  60  -2.793  -8.429   8.796
  465    H    VAL  61           H        VAL  61  -0.918  -6.388   5.519
  466    HA   VAL  61           HA       VAL  61   1.497  -7.944   5.968
  467    HB   VAL  61           HB       VAL  61   2.663  -6.246   4.673
  468   HG11  VAL  61          1HG1      VAL  61   1.533  -8.138   3.553
  469   HG12  VAL  61          2HG1      VAL  61   0.080  -7.150   3.339
  470   HG13  VAL  61          3HG1      VAL  61   1.592  -6.695   2.534
  471   HG21  VAL  61          3HG2      VAL  61   0.023  -4.789   4.365
  472   HG22  VAL  61          1HG2      VAL  61   1.426  -4.196   5.269
  473   HG23  VAL  61          2HG2      VAL  61   1.540  -4.430   3.526
  474    H    ASN  62           H        ASN  62   3.195  -7.537   7.213
  475    HA   ASN  62           HA       ASN  62   2.970  -5.702   9.520
  476    HB2  ASN  62           2HB      ASN  62   3.748  -7.992   9.988
  477    HB3  ASN  62           3HB      ASN  62   4.983  -7.853   8.735
  478   HD21  ASN  62          2HD2      ASN  62   6.718  -8.225  10.263
  479   HD22  ASN  62          1HD2      ASN  62   7.174  -7.008  11.425
  480    H    GLY  63           H        GLY  63   2.839  -4.048   7.719
  481    HA2  GLY  63           2HA      GLY  63   3.697  -2.349   6.480
  482    HA3  GLY  63           3HA      GLY  63   5.212  -2.542   7.374
  483    H    ARG  64           H        ARG  64   6.929  -3.421   6.333
  484    HA   ARG  64           HA       ARG  64   6.748  -3.807   3.449
  485    HB2  ARG  64           2HB      ARG  64   9.182  -3.869   3.519
  486    HB3  ARG  64           3HB      ARG  64   8.575  -2.488   4.432
  487    HG2  ARG  64           2HG      ARG  64   8.877  -3.862   6.551
  488    HG3  ARG  64           3HG      ARG  64   9.645  -5.111   5.564
  489    HD2  ARG  64           2HD      ARG  64  10.634  -2.243   5.700
  490    HD3  ARG  64           3HD      ARG  64  11.166  -3.493   6.827
  491    HE   ARG  64           HE       ARG  64  11.659  -4.648   4.387
  492   HH11  ARG  64          1HH1      ARG  64  12.708  -1.554   5.887
  493   HH12  ARG  64          2HH1      ARG  64  14.249  -1.601   5.098
  494   HH21  ARG  64          1HH2      ARG  64  13.561  -4.634   3.361
  495   HH22  ARG  64          2HH2      ARG  64  14.778  -3.395   3.609
  496    H    TYR  65           H        TYR  65   6.380  -5.918   6.093
  497    HA   TYR  65           HA       TYR  65   7.281  -8.242   4.443
  498    HB2  TYR  65           2HB      TYR  65   6.998  -8.081   7.457
  499    HB3  TYR  65           3HB      TYR  65   7.608  -9.438   6.528
  500    HD1  TYR  65           1HD      TYR  65   9.706  -8.880   4.954
  501    HD2  TYR  65           2HD      TYR  65   8.568  -6.636   8.456
  502    HE1  TYR  65           1HE      TYR  65  11.984  -7.923   5.066
  503    HE2  TYR  65           2HE      TYR  65  10.873  -5.746   8.637
  504    HH   TYR  65           HH       TYR  65  13.455  -6.579   6.275
  505    H    THR  66           H        THR  66   5.848 -10.145   4.474
  506    HA   THR  66           HA       THR  66   3.022  -9.557   4.810
  507    HB   THR  66           HB       THR  66   2.737 -11.980   4.382
  508    HG1  THR  66           1HG      THR  66   4.554 -13.205   3.889
  509   HG21  THR  66          3HG2      THR  66   4.697 -10.697   2.426
  510   HG22  THR  66          1HG2      THR  66   3.558 -12.018   2.092
  511   HG23  THR  66          2HG2      THR  66   2.939 -10.402   2.476
  512    H    ALA  67           H        ALA  67   1.753 -11.299   6.166
  513    HA   ALA  67           HA       ALA  67   2.343 -11.085   8.952
  514    HB1  ALA  67           3HB      ALA  67   0.600 -12.846   9.153
  515    HB2  ALA  67           1HB      ALA  67   0.087 -11.565   8.032
  516    HB3  ALA  67           2HB      ALA  67   0.689 -13.121   7.398
  517    H    ASP  68           H        ASP  68   3.068 -13.537   6.473
  518    HA   ASP  68           HA       ASP  68   4.260 -15.476   8.243
  519    HB2  ASP  68           2HB      ASP  68   3.365 -16.135   6.083
  520    HB3  ASP  68           3HB      ASP  68   4.479 -15.052   5.240
  521    H    GLY  69           H        GLY  69   5.546 -12.785   6.260
  522    HA2  GLY  69           2HA      GLY  69   7.336 -11.557   7.470
  523    HA3  GLY  69           3HA      GLY  69   8.203 -13.086   7.621
  524    H    LYS  70           H        LYS  70   6.785 -13.156   4.564
  525    HA   LYS  70           HA       LYS  70   9.264 -12.843   3.142
  526    HB2  LYS  70           2HB      LYS  70   6.374 -12.692   2.144
  527    HB3  LYS  70           3HB      LYS  70   7.794 -12.954   1.138
  528    HG2  LYS  70           2HG      LYS  70   6.893 -14.883   3.329
  529    HG3  LYS  70           3HG      LYS  70   6.404 -15.006   1.647
  530    HD2  LYS  70           2HD      LYS  70   8.695 -15.278   0.906
  531    HD3  LYS  70           3HD      LYS  70   9.324 -15.069   2.547
  532    HE2  LYS  70           2HE      LYS  70   7.317 -17.233   1.820
  533    HE3  LYS  70           3HE      LYS  70   9.060 -17.469   1.617
  534    HZ1  LYS  70           3HZ      LYS  70   7.676 -16.933   4.190
  535    HZ2  LYS  70           1HZ      LYS  70   8.358 -18.335   3.717
  536    HZ3  LYS  70           2HZ      LYS  70   9.310 -17.047   4.007
  537    H    GLU  71           H        GLU  71  10.116 -10.952   2.128
  538    HA   GLU  71           HA       GLU  71   8.950  -8.402   2.891
  539    HB2  GLU  71           2HB      GLU  71  11.388  -8.746   2.630
  540    HB3  GLU  71           3HB      GLU  71  11.172  -8.990   0.888
  541    HG2  GLU  71           2HG      GLU  71  10.434  -6.722   0.573
  542    HG3  GLU  71           3HG      GLU  71  10.139  -6.500   2.299
  543    H    VAL  72           H        VAL  72   7.499  -7.250   1.767
  544    HA   VAL  72           HA       VAL  72   5.719  -8.550   0.111
  545    HB   VAL  72           HB       VAL  72   6.247  -5.660   0.798
  546   HG11  VAL  72          1HG1      VAL  72   3.959  -5.117  -0.166
  547   HG12  VAL  72          2HG1      VAL  72   5.251  -5.353  -1.349
  548   HG13  VAL  72          3HG1      VAL  72   4.082  -6.644  -1.082
  549   HG21  VAL  72          3HG2      VAL  72   4.205  -5.914   2.117
  550   HG22  VAL  72          1HG2      VAL  72   3.962  -7.554   1.477
  551   HG23  VAL  72          2HG2      VAL  72   5.341  -7.204   2.524
  552    H    LEU  73           H        LEU  73   8.391  -6.372  -0.994
  553    HA   LEU  73           HA       LEU  73   7.448  -6.393  -3.703
  554    HB2  LEU  73           2HB      LEU  73  10.227  -5.844  -2.579
  555    HB3  LEU  73           3HB      LEU  73   9.787  -5.629  -4.270
  556    HG   LEU  73           HG       LEU  73   8.550  -4.113  -1.933
  557   HD11  LEU  73          1HD1      LEU  73  10.883  -3.474  -2.383
  558   HD12  LEU  73          2HD1      LEU  73  10.497  -3.212  -4.098
  559   HD13  LEU  73          3HD1      LEU  73   9.768  -2.180  -2.850
  560   HD21  LEU  73          3HD2      LEU  73   6.889  -4.280  -3.720
  561   HD22  LEU  73          1HD2      LEU  73   7.565  -2.653  -3.719
  562   HD23  LEU  73          2HD2      LEU  73   8.102  -3.824  -4.940
  563    H    GLU  74           H        GLU  74   9.697  -8.531  -1.932
  564    HA   GLU  74           HA       GLU  74  10.467 -10.045  -4.286
  565    HB2  GLU  74           2HB      GLU  74  11.844  -9.878  -2.221
  566    HB3  GLU  74           3HB      GLU  74  10.601 -10.757  -1.319
  567    HG2  GLU  74           2HG      GLU  74  10.924 -12.735  -2.763
  568    HG3  GLU  74           3HG      GLU  74  12.086 -11.846  -3.752
  569    H    TYR  75           H        TYR  75   8.018 -10.358  -1.692
  570    HA   TYR  75           HA       TYR  75   7.025 -12.898  -2.337
  571    HB2  TYR  75           2HB      TYR  75   6.559 -11.554  -0.272
  572    HB3  TYR  75           3HB      TYR  75   5.527 -10.496  -1.211
  573    HD1  TYR  75           1HD      TYR  75   5.948 -14.201  -0.607
  574    HD2  TYR  75           2HD      TYR  75   3.226 -10.875  -0.989
  575    HE1  TYR  75           1HE      TYR  75   4.066 -15.695  -0.051
  576    HE2  TYR  75           2HE      TYR  75   1.329 -12.367  -0.424
  577    HH   TYR  75           HH       TYR  75   1.751 -15.859   0.281
  578    H    LEU  76           H        LEU  76   5.990  -9.670  -3.562
  579    HA   LEU  76           HA       LEU  76   3.972 -10.803  -5.335
  580    HB2  LEU  76           2HB      LEU  76   5.281  -8.052  -5.181
  581    HB3  LEU  76           3HB      LEU  76   3.961  -8.459  -6.274
  582    HG   LEU  76           HG       LEU  76   3.777  -8.573  -3.230
  583   HD11  LEU  76          1HD1      LEU  76   2.652  -6.545  -5.205
  584   HD12  LEU  76          2HD1      LEU  76   2.382  -6.562  -3.447
  585   HD13  LEU  76          3HD1      LEU  76   4.007  -6.270  -4.085
  586   HD21  LEU  76          3HD2      LEU  76   1.302  -8.722  -3.695
  587   HD22  LEU  76          1HD2      LEU  76   1.706  -9.017  -5.396
  588   HD23  LEU  76          2HD2      LEU  76   2.222 -10.163  -4.140
  589    H    GLY  77           H        GLY  77   7.393  -9.808  -5.655
  590    HA2  GLY  77           2HA      GLY  77   7.530  -9.894  -8.490
  591    HA3  GLY  77           3HA      GLY  77   8.881 -10.046  -7.351
  592    H    ASN  78           H        ASN  78   7.852 -12.458  -6.029
  593    HA   ASN  78           HA       ASN  78   8.986 -14.517  -7.575
  594    HB2  ASN  78           2HB      ASN  78   8.751 -14.619  -5.147
  595    HB3  ASN  78           3HB      ASN  78   6.989 -14.606  -5.280
  596   HD21  ASN  78          2HD2      ASN  78   7.563 -16.622  -3.837
  597   HD22  ASN  78          1HD2      ASN  78   7.706 -18.127  -4.703
  598    HA   PRO  79           HA       PRO  79   5.390 -14.877 -10.257
  599    HB2  PRO  79           2HB      PRO  79   6.261 -16.604 -12.162
  600    HB3  PRO  79           3HB      PRO  79   6.779 -14.891 -12.039
  601    HG2  PRO  79           2HG      PRO  79   8.212 -17.357 -10.965
  602    HG3  PRO  79           3HG      PRO  79   8.904 -16.027 -11.947
  603    HD2  PRO  79           2HD      PRO  79   9.112 -16.092  -9.222
  604    HD3  PRO  79           3HD      PRO  79   8.914 -14.553 -10.111
  605    H    ALA  80           H        ALA  80   6.685 -17.484  -8.338
  606    HA   ALA  80           HA       ALA  80   4.580 -19.389  -8.861
  607    HB1  ALA  80           3HB      ALA  80   5.228 -20.350  -6.715
  608    HB2  ALA  80           1HB      ALA  80   6.700 -19.898  -7.600
  609    HB3  ALA  80           2HB      ALA  80   6.098 -18.874  -6.267
  610    H    ASN  81           H        ASN  81   4.604 -16.257  -7.469
  611    HA   ASN  81           HA       ASN  81   1.888 -16.502  -6.315
  612    HB2  ASN  81           2HB      ASN  81   3.637 -16.607  -4.530
  613    HB3  ASN  81           3HB      ASN  81   4.331 -15.107  -5.145
  614   HD21  ASN  81          2HD2      ASN  81   3.882 -13.529  -3.740
  615   HD22  ASN  81          1HD2      ASN  81   2.396 -13.331  -2.825
  616    H    TYR  82           H        TYR  82   2.765 -15.683  -9.000
  617    HA   TYR  82           HA       TYR  82   2.623 -12.797  -9.162
  618    HB2  TYR  82           2HB      TYR  82   2.567 -15.093 -11.067
  619    HB3  TYR  82           3HB      TYR  82   1.580 -13.735 -11.534
  620    HD1  TYR  82           2HD      TYR  82   4.628 -12.638  -9.753
  621    HD2  TYR  82           1HD      TYR  82   2.974 -13.850 -13.563
  622    HE1  TYR  82           2HE      TYR  82   6.448 -11.481 -10.909
  623    HE2  TYR  82           1HE      TYR  82   4.810 -12.693 -14.724
  624    HH   TYR  82           HH       TYR  82   7.407 -10.922 -12.965
  625    HA   PRO  83           HA       PRO  83  -2.040 -13.261  -9.700
  626    HB2  PRO  83           2HB      PRO  83  -3.377 -15.593  -9.156
  627    HB3  PRO  83           3HB      PRO  83  -2.722 -15.183 -10.770
  628    HG2  PRO  83           2HG      PRO  83  -1.478 -16.947  -8.647
  629    HG3  PRO  83           3HG      PRO  83  -1.623 -17.257 -10.404
  630    HD2  PRO  83           2HD      PRO  83   0.656 -16.297  -9.268
  631    HD3  PRO  83           3HD      PRO  83   0.144 -15.793 -10.905
  632    H    VAL  84           H        VAL  84  -2.872 -12.167  -7.982
  633    HA   VAL  84           HA       VAL  84  -2.798 -13.296  -5.255
  634    HB   VAL  84           HB       VAL  84  -1.681 -11.216  -4.411
  635   HG11  VAL  84          1HG1      VAL  84   0.583 -11.846  -4.839
  636   HG12  VAL  84          2HG1      VAL  84  -0.404 -13.314  -4.731
  637   HG13  VAL  84          3HG1      VAL  84   0.116 -12.706  -6.314
  638   HG21  VAL  84          3HG2      VAL  84  -0.998 -10.655  -7.332
  639   HG22  VAL  84          1HG2      VAL  84  -2.065  -9.691  -6.289
  640   HG23  VAL  84          2HG2      VAL  84  -0.343  -9.816  -5.925
  641    H    SER  85           H        SER  85  -3.755 -11.687  -3.711
  642    HA   SER  85           HA       SER  85  -5.689  -9.804  -4.938
  643    HB2  SER  85           2HB      SER  85  -6.183 -11.552  -2.493
  644    HB3  SER  85           3HB      SER  85  -7.297 -10.351  -3.176
  645    HG   SER  85           HG       SER  85  -7.791 -12.509  -3.828
  646    H    ILE  86           H        ILE  86  -5.664  -7.780  -3.808
  647    HA   ILE  86           HA       ILE  86  -3.752  -7.554  -1.551
  648    HB   ILE  86           HB       ILE  86  -3.631  -5.781  -4.024
  649   HG12  ILE  86          2HG1      ILE  86  -1.741  -8.014  -3.182
  650   HG13  ILE  86          3HG1      ILE  86  -2.771  -8.008  -4.612
  651   HG21  ILE  86          1HG2      ILE  86  -1.597  -4.838  -2.992
  652   HG22  ILE  86          2HG2      ILE  86  -2.952  -4.645  -1.913
  653   HG23  ILE  86          3HG2      ILE  86  -1.772  -5.935  -1.615
  654   HD11  ILE  86          3HD1      ILE  86  -0.328  -6.284  -4.133
  655   HD12  ILE  86          1HD1      ILE  86  -0.577  -7.540  -5.345
  656   HD13  ILE  86          2HD1      ILE  86  -1.485  -6.020  -5.469
  657    H    ARG  87           H        ARG  87  -4.220  -5.846  -0.198
  658    HA   ARG  87           HA       ARG  87  -6.633  -4.192  -0.782
  659    HB2  ARG  87           2HB      ARG  87  -7.069  -5.937   1.001
  660    HB3  ARG  87           3HB      ARG  87  -5.739  -5.256   1.941
  661    HG2  ARG  87           2HG      ARG  87  -6.893  -3.108   2.141
  662    HG3  ARG  87           3HG      ARG  87  -8.200  -3.671   1.086
  663    HD2  ARG  87           2HD      ARG  87  -7.468  -5.013   3.724
  664    HD3  ARG  87           3HD      ARG  87  -8.643  -3.708   3.609
  665    HE   ARG  87           HE       ARG  87  -8.936  -6.485   2.655
  666   HH11  ARG  87          1HH1      ARG  87 -10.330  -3.200   2.509
  667   HH12  ARG  87          2HH1      ARG  87 -11.962  -3.782   2.411
  668   HH21  ARG  87          1HH2      ARG  87 -11.042  -7.173   2.049
  669   HH22  ARG  87          2HH2      ARG  87 -12.356  -6.022   2.041
  670    H    PHE  88           H        PHE  88  -6.321  -2.039  -0.316
  671    HA   PHE  88           HA       PHE  88  -3.611  -1.150   0.528
  672    HB2  PHE  88           2HB      PHE  88  -5.379  -0.201  -1.784
  673    HB3  PHE  88           3HB      PHE  88  -4.066   0.759  -1.153
  674    HD1  PHE  88           1HD      PHE  88  -4.855  -2.344  -3.049
  675    HD2  PHE  88           2HD      PHE  88  -1.787   0.377  -1.700
  676    HE1  PHE  88           1HE      PHE  88  -3.265  -3.310  -4.692
  677    HE2  PHE  88           2HE      PHE  88  -0.201  -0.606  -3.332
  678    HZ   PHE  88           HZ       PHE  88  -0.937  -2.452  -4.832
  679    H    GLY  89           H        GLY  89  -3.693   1.229   1.068
  680    HA2  GLY  89           2HA      GLY  89  -6.105   2.602   1.656
  681    HA3  GLY  89           3HA      GLY  89  -5.506   1.815   3.125
  682    H    ARG  90           H        ARG  90  -5.013   3.819   4.082
  683    HA   ARG  90           HA       ARG  90  -2.880   5.470   2.840
  684    HB2  ARG  90           2HB      ARG  90  -4.801   5.888   5.182
  685    HB3  ARG  90           3HB      ARG  90  -3.428   6.955   4.845
  686    HG2  ARG  90           2HG      ARG  90  -5.103   8.091   3.732
  687    HG3  ARG  90           3HG      ARG  90  -4.419   7.118   2.433
  688    HD2  ARG  90           2HD      ARG  90  -6.367   5.408   3.245
  689    HD3  ARG  90           3HD      ARG  90  -7.085   6.920   3.817
  690    HE   ARG  90           HE       ARG  90  -6.149   7.159   1.106
  691   HH11  ARG  90          1HH1      ARG  90  -8.895   5.716   2.954
  692   HH12  ARG  90          2HH1      ARG  90  -9.680   5.220   1.463
  693   HH21  ARG  90          1HH2      ARG  90  -7.383   6.632  -0.712
  694   HH22  ARG  90          2HH2      ARG  90  -8.970   5.865  -0.500
  695    HA   PRO  91           HA       PRO  91   0.207   3.530   5.379
  696    HB2  PRO  91           2HB      PRO  91   1.105   6.321   6.126
  697    HB3  PRO  91           3HB      PRO  91   2.090   4.940   5.555
  698    HG2  PRO  91           2HG      PRO  91   1.424   6.978   3.878
  699    HG3  PRO  91           3HG      PRO  91   1.404   5.283   3.307
  700    HD2  PRO  91           2HD      PRO  91  -0.926   7.012   4.133
  701    HD3  PRO  91           3HD      PRO  91  -0.790   5.843   2.784
  702    H    ARG  92           H        ARG  92   0.183   2.755   7.453
  703    HA   ARG  92           HA       ARG  92  -1.689   3.839   9.381
  704    HB2  ARG  92           2HB      ARG  92   0.337   1.563   9.497
  705    HB3  ARG  92           3HB      ARG  92  -0.740   1.978  10.839
  706    HG2  ARG  92           2HG      ARG  92  -2.720   1.600   9.460
  707    HG3  ARG  92           3HG      ARG  92  -1.716   1.238   8.044
  708    HD2  ARG  92           2HD      ARG  92  -0.762  -0.712   9.157
  709    HD3  ARG  92           3HD      ARG  92  -1.661  -0.350  10.645
  710    HE   ARG  92           HE       ARG  92  -3.683  -0.498   8.901
  711   HH11  ARG  92          1HH1      ARG  92  -0.973  -2.762   9.396
  712   HH12  ARG  92          2HH1      ARG  92  -1.894  -4.160   8.918
  713   HH21  ARG  92          1HH2      ARG  92  -4.859  -2.369   8.248
  714   HH22  ARG  92          2HH2      ARG  92  -4.079  -3.925   8.236
  715    H    LEU  93           H        LEU  93   1.571   4.568   8.725
  716    HA   LEU  93           HA       LEU  93   3.133   5.827   9.562
  717    HB2  LEU  93           2HB      LEU  93   1.309   7.468   9.806
  718    HB3  LEU  93           3HB      LEU  93   1.073   6.944  11.474
  719    HG   LEU  93           HG       LEU  93   3.366   7.695  12.054
  720   HD11  LEU  93          1HD1      LEU  93   3.485   8.670   9.163
  721   HD12  LEU  93          2HD1      LEU  93   4.615   9.149  10.448
  722   HD13  LEU  93          3HD1      LEU  93   4.555   7.470   9.924
  723   HD21  LEU  93          3HD2      LEU  93   2.916  10.104  11.910
  724   HD22  LEU  93          1HD2      LEU  93   1.695   9.822  10.646
  725   HD23  LEU  93          2HD2      LEU  93   1.437   9.216  12.296
  726    H    THR  94           H        THR  94   1.401   4.145  12.146
  727    HA   THR  94           HA       THR  94   2.074   3.162  14.058
  728    HB   THR  94           HB       THR  94   3.911   1.482  13.705
  729    HG1  THR  94           1HG      THR  94   5.214   2.435  12.229
  730   HG21  THR  94          3HG2      THR  94   1.555   1.005  13.133
  731   HG22  THR  94          1HG2      THR  94   1.810   1.663  11.503
  732   HG23  THR  94          2HG2      THR  94   2.677   0.201  12.027
  733    H    SER  95           H        SER  95   2.623   5.750  14.355
  734    HA   SER  95           HA       SER  95   5.127   6.673  14.902
  735    HB2  SER  95           2HB      SER  95   2.688   7.227  16.627
  736    HB3  SER  95           3HB      SER  95   4.032   8.321  16.252
  737    HG   SER  95           HG       SER  95   2.158   8.749  14.997
  738    H    ASN  96           H        ASN  96   6.727   6.148  16.293
  739    HA   ASN  96           HA       ASN  96   6.298   5.111  18.949
  740    HB2  ASN  96           2HB      ASN  96   7.428   3.028  18.694
  741    HB3  ASN  96           3HB      ASN  96   6.135   3.010  17.502
  742   HD21  ASN  96          2HD2      ASN  96   6.757   3.475  15.201
  743   HD22  ASN  96          1HD2      ASN  96   8.388   3.104  14.676
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1 -33.904  11.332  10.521
    2    H2   MET   1           H2       MET   1 -35.059  10.172  10.525
    3    H3   MET   1           H3       MET   1 -33.647   9.902  11.293
    4    HA   MET   1           HA       MET   1 -33.993  10.226   8.394
    5    HB2  MET   1           2HB      MET   1 -31.470   9.527   9.965
    6    HB3  MET   1           3HB      MET   1 -31.637   9.458   8.209
    7    HG2  MET   1           2HG      MET   1 -32.220  11.921   8.244
    8    HG3  MET   1           3HG      MET   1 -31.753  11.945   9.945
    9    HE1  MET   1           3HE      MET   1 -27.875  11.146   9.720
   10    HE2  MET   1           1HE      MET   1 -29.261  11.391  10.806
   11    HE3  MET   1           2HE      MET   1 -29.128   9.897   9.844
   12    H    GLY   2           H        GLY   2 -33.930   8.268   7.151
   13    HA2  GLY   2           2HA      GLY   2 -35.246   6.047   8.357
   14    HA3  GLY   2           3HA      GLY   2 -34.575   6.133   6.722
   15    H    HIS   3           H        HIS   3 -31.837   6.784   8.041
   16    HA   HIS   3           HA       HIS   3 -31.085   4.327   9.420
   17    HB2  HIS   3           2HB      HIS   3 -29.081   4.155   7.757
   18    HB3  HIS   3           3HB      HIS   3 -30.627   3.453   7.316
   19    HD1  HIS   3           1HD      HIS   3 -31.539   4.138   4.981
   20    HD2  HIS   3           2HD      HIS   3 -28.710   6.803   6.588
   21    HE1  HIS   3           1HE      HIS   3 -31.125   5.906   3.198
   22    H    HIS   4           H        HIS   4 -28.866   4.614  10.306
   23    HA   HIS   4           HA       HIS   4 -28.765   7.226  11.517
   24    HB2  HIS   4           2HB      HIS   4 -26.991   4.785  11.927
   25    HB3  HIS   4           3HB      HIS   4 -27.119   6.172  13.007
   26    HD1  HIS   4           1HD      HIS   4 -29.867   6.520  13.948
   27    HD2  HIS   4           2HD      HIS   4 -28.472   2.767  12.638
   28    HE1  HIS   4           1HE      HIS   4 -31.462   4.788  14.913
   29    H    HIS   5           H        HIS   5 -28.083   7.490   8.766
   30    HA   HIS   5           HA       HIS   5 -25.333   8.533   8.838
   31    HB2  HIS   5           2HB      HIS   5 -26.302   6.326   6.961
   32    HB3  HIS   5           3HB      HIS   5 -24.993   7.420   6.539
   33    HD1  HIS   5           1HD      HIS   5 -22.632   6.969   7.567
   34    HD2  HIS   5           2HD      HIS   5 -25.752   4.542   9.030
   35    HE1  HIS   5           1HE      HIS   5 -21.533   5.158   8.995
   36    H    HIS   6           H        HIS   6 -24.986   9.992   6.987
   37    HA   HIS   6           HA       HIS   6 -27.221  11.658   6.483
   38    HB2  HIS   6           2HB      HIS   6 -24.595  11.495   4.946
   39    HB3  HIS   6           3HB      HIS   6 -25.709  12.861   4.974
   40    HD1  HIS   6           1HD      HIS   6 -22.633  11.747   6.670
   41    HD2  HIS   6           2HD      HIS   6 -26.127  13.877   7.677
   42    HE1  HIS   6           1HE      HIS   6 -22.100  13.027   8.802
   43    H    HIS   7           H        HIS   7 -25.982   8.868   4.703
   44    HA   HIS   7           HA       HIS   7 -28.318   8.758   3.026
   45    HB2  HIS   7           2HB      HIS   7 -26.998   8.643   0.887
   46    HB3  HIS   7           3HB      HIS   7 -27.076  10.242   1.594
   47    HD1  HIS   7           1HD      HIS   7 -24.484   7.318   1.432
   48    HD2  HIS   7           2HD      HIS   7 -24.820  11.494   1.922
   49    HE1  HIS   7           1HE      HIS   7 -22.113   8.239   1.413
   50    H    HIS   8           H        HIS   8 -28.068   6.717   1.603
   51    HA   HIS   8           HA       HIS   8 -27.348   4.460   3.189
   52    HB2  HIS   8           2HB      HIS   8 -27.837   3.200   1.095
   53    HB3  HIS   8           3HB      HIS   8 -29.102   4.328   1.547
   54    HD1  HIS   8           1HD      HIS   8 -26.065   5.687  -0.395
   55    HD2  HIS   8           2HD      HIS   8 -30.044   4.427  -0.964
   56    HE1  HIS   8           1HE      HIS   8 -26.724   6.428  -2.746
   57    H    LEU   9           H        LEU   9 -25.835   2.730   2.384
   58    HA   LEU   9           HA       LEU   9 -23.703   2.087   2.392
   59    HB2  LEU   9           2HB      LEU   9 -24.673   1.917   0.143
   60    HB3  LEU   9           3HB      LEU   9 -23.883   3.424  -0.319
   61    HG   LEU   9           HG       LEU   9 -21.650   2.379  -0.023
   62   HD11  LEU   9          1HD1      LEU   9 -22.046   0.758   1.757
   63   HD12  LEU   9          2HD1      LEU   9 -23.206  -0.131   0.740
   64   HD13  LEU   9          3HD1      LEU   9 -21.480  -0.094   0.324
   65   HD21  LEU   9          3HD2      LEU   9 -23.523   0.686  -1.722
   66   HD22  LEU   9          1HD2      LEU   9 -22.794   2.233  -2.201
   67   HD23  LEU   9          2HD2      LEU   9 -21.760   0.826  -1.911
   68    H    ASP  10           H        ASP  10 -23.599   3.961   4.064
   69    HA   ASP  10           HA       ASP  10 -21.097   5.505   3.520
   70    HB2  ASP  10           2HB      ASP  10 -23.128   6.928   3.637
   71    HB3  ASP  10           3HB      ASP  10 -23.467   6.289   5.239
   72    H    SER  11           H        SER  11 -22.161   2.807   4.979
   73    HA   SER  11           HA       SER  11 -21.453   2.961   7.675
   74    HB2  SER  11           2HB      SER  11 -21.274   0.497   5.916
   75    HB3  SER  11           3HB      SER  11 -21.732   0.596   7.625
   76    HG   SER  11           HG       SER  11 -23.553   0.339   6.265
   77    H    TYR  12           H        TYR  12 -19.315   3.051   4.995
   78    HA   TYR  12           HA       TYR  12 -17.107   1.525   5.896
   79    HB2  TYR  12           2HB      TYR  12 -17.323   3.973   4.096
   80    HB3  TYR  12           3HB      TYR  12 -15.813   3.123   4.379
   81    HD1  TYR  12           1HD      TYR  12 -15.701   0.595   3.922
   82    HD2  TYR  12           2HD      TYR  12 -18.791   3.169   2.344
   83    HE1  TYR  12           1HE      TYR  12 -16.195  -1.079   2.188
   84    HE2  TYR  12           2HE      TYR  12 -19.288   1.501   0.590
   85    HH   TYR  12           HH       TYR  12 -18.741  -0.583  -0.318
   86    H    ALA  13           H        ALA  13 -15.094   2.236   6.723
   87    HA   ALA  13           HA       ALA  13 -14.936   4.786   8.144
   88    HB1  ALA  13           3HB      ALA  13 -14.409   3.778  10.323
   89    HB2  ALA  13           1HB      ALA  13 -16.059   3.384   9.813
   90    HB3  ALA  13           2HB      ALA  13 -14.776   2.163   9.692
   91    HA   PRO  14           HA       PRO  14 -10.585   2.565   7.963
   92    HB2  PRO  14           2HB      PRO  14 -11.129   0.993   5.434
   93    HB3  PRO  14           3HB      PRO  14  -9.935   0.664   6.730
   94    HG2  PRO  14           2HG      PRO  14 -12.262  -0.711   6.664
   95    HG3  PRO  14           3HG      PRO  14 -11.661  -0.063   8.227
   96    HD2  PRO  14           2HD      PRO  14 -13.761   1.099   6.388
   97    HD3  PRO  14           3HD      PRO  14 -13.802   0.908   8.169
   98    H    ARG  15           H        ARG  15  -9.005   3.755   6.908
   99    HA   ARG  15           HA       ARG  15  -9.832   5.616   4.788
  100    HB2  ARG  15           2HB      ARG  15  -8.457   6.135   6.936
  101    HB3  ARG  15           3HB      ARG  15  -7.081   5.417   6.097
  102    HG2  ARG  15           2HG      ARG  15  -7.284   7.142   4.319
  103    HG3  ARG  15           3HG      ARG  15  -8.780   7.726   5.043
  104    HD2  ARG  15           2HD      ARG  15  -7.102   9.269   5.694
  105    HD3  ARG  15           3HD      ARG  15  -7.523   8.341   7.119
  106    HE   ARG  15           HE       ARG  15  -5.458   7.161   7.015
  107   HH11  ARG  15          1HH2      ARG  15  -5.580   9.869   4.700
  108   HH12  ARG  15          2HH2      ARG  15  -3.914   9.704   4.243
  109   HH21  ARG  15          1HH1      ARG  15  -3.152   7.216   6.640
  110   HH22  ARG  15          2HH1      ARG  15  -2.503   8.520   5.711
  111    H    ALA  16           H        ALA  16 -10.078   3.125   3.763
  112    HA   ALA  16           HA       ALA  16  -7.710   2.672   2.060
  113    HB1  ALA  16           3HB      ALA  16  -9.071   0.525   3.755
  114    HB2  ALA  16           1HB      ALA  16  -7.734   0.259   2.623
  115    HB3  ALA  16           2HB      ALA  16  -7.472   1.228   4.088
  116    H    GLU  17           H        GLU  17  -8.157   0.821   0.481
  117    HA   GLU  17           HA       GLU  17 -10.727   1.436  -0.878
  118    HB2  GLU  17           2HB      GLU  17  -8.132   0.255  -1.968
  119    HB3  GLU  17           3HB      GLU  17  -9.539   0.739  -2.905
  120    HG2  GLU  17           2HG      GLU  17  -7.640   2.567  -1.377
  121    HG3  GLU  17           3HG      GLU  17  -7.791   2.406  -3.117
  122    H    ALA  18           H        ALA  18 -11.534  -0.452  -2.252
  123    HA   ALA  18           HA       ALA  18 -12.089  -2.733  -0.602
  124    HB1  ALA  18           3HB      ALA  18 -13.669  -1.876  -2.304
  125    HB2  ALA  18           1HB      ALA  18 -12.512  -2.295  -3.594
  126    HB3  ALA  18           2HB      ALA  18 -13.255  -3.572  -2.612
  127    H    GLU  19           H        GLU  19 -11.558  -4.948  -1.055
  128    HA   GLU  19           HA       GLU  19  -8.833  -5.500  -1.874
  129    HB2  GLU  19           2HB      GLU  19 -10.181  -6.782  -0.152
  130    HB3  GLU  19           3HB      GLU  19 -11.204  -7.390  -1.450
  131    HG2  GLU  19           2HG      GLU  19  -9.304  -8.530  -2.490
  132    HG3  GLU  19           3HG      GLU  19  -8.182  -7.800  -1.340
  133    H    LYS  20           H        LYS  20  -8.125  -6.249  -3.891
  134    HA   LYS  20           HA       LYS  20 -10.094  -7.131  -5.899
  135    HB2  LYS  20           2HB      LYS  20  -8.153  -4.822  -6.357
  136    HB3  LYS  20           3HB      LYS  20  -8.922  -5.731  -7.658
  137    HG2  LYS  20           2HG      LYS  20 -11.162  -5.044  -6.770
  138    HG3  LYS  20           3HG      LYS  20 -10.337  -4.038  -5.559
  139    HD2  LYS  20           2HD      LYS  20  -9.248  -2.741  -7.363
  140    HD3  LYS  20           3HD      LYS  20 -10.073  -3.742  -8.581
  141    HE2  LYS  20           2HE      LYS  20 -12.275  -3.021  -7.663
  142    HE3  LYS  20           3HE      LYS  20 -11.446  -2.008  -6.475
  143    HZ1  LYS  20           3HZ      LYS  20 -11.301  -1.653  -9.414
  144    HZ2  LYS  20           1HZ      LYS  20 -12.161  -0.727  -8.389
  145    HZ3  LYS  20           2HZ      LYS  20 -10.534  -0.712  -8.316
  146    H    THR  21           H        THR  21  -9.076  -8.401  -7.578
  147    HA   THR  21           HA       THR  21  -6.610  -9.748  -6.799
  148    HB   THR  21           HB       THR  21  -7.189 -10.941  -9.053
  149    HG1  THR  21           1HG      THR  21  -8.751  -9.550  -9.846
  150   HG21  THR  21          3HG2      THR  21  -9.052 -11.131  -6.639
  151   HG22  THR  21          1HG2      THR  21  -8.838 -12.371  -7.896
  152   HG23  THR  21          2HG2      THR  21  -7.490 -11.954  -6.826
  153    H    PHE  22           H        PHE  22  -4.663  -9.629  -7.867
  154    HA   PHE  22           HA       PHE  22  -4.348  -7.803 -10.168
  155    HB2  PHE  22           2HB      PHE  22  -2.749  -7.696  -7.573
  156    HB3  PHE  22           3HB      PHE  22  -2.292  -6.878  -9.060
  157    HD1  PHE  22           1HD      PHE  22  -3.715  -5.030 -10.003
  158    HD2  PHE  22           2HD      PHE  22  -4.495  -6.787  -6.145
  159    HE1  PHE  22           1HE      PHE  22  -5.184  -3.114  -9.427
  160    HE2  PHE  22           2HE      PHE  22  -5.926  -4.854  -5.551
  161    HZ   PHE  22           HZ       PHE  22  -6.308  -3.030  -7.210
  162    H    SER  23           H        SER  23  -2.218  -8.095 -11.136
  163    HA   SER  23           HA       SER  23  -0.587 -10.415 -10.734
  164    HB2  SER  23           2HB      SER  23  -2.322 -10.213 -13.244
  165    HB3  SER  23           3HB      SER  23  -1.037 -11.401 -12.961
  166    HG   SER  23           HG       SER  23  -2.878 -11.312 -10.948
  167    H    TYR  24           H        TYR  24   1.029 -10.349 -12.813
  168    HA   TYR  24           HA       TYR  24   1.415  -7.536 -13.646
  169    HB2  TYR  24           2HB      TYR  24   3.537  -9.380 -12.518
  170    HB3  TYR  24           3HB      TYR  24   3.850  -7.798 -13.200
  171    HD1  TYR  24           2HD      TYR  24   2.303  -5.827 -12.106
  172    HD2  TYR  24           1HD      TYR  24   3.458  -9.522 -10.201
  173    HE1  TYR  24           2HE      TYR  24   1.867  -4.810  -9.889
  174    HE2  TYR  24           1HE      TYR  24   3.005  -8.526  -7.979
  175    HH   TYR  24           HH       TYR  24   2.261  -6.624  -6.824
  176    HA   PRO  25           HA       PRO  25   3.414  -6.639 -15.009
  177    HB2  PRO  25           2HB      PRO  25   3.289  -5.612 -17.534
  178    HB3  PRO  25           3HB      PRO  25   4.620  -6.664 -16.967
  179    HG2  PRO  25           2HG      PRO  25   2.163  -7.466 -18.554
  180    HG3  PRO  25           3HG      PRO  25   3.877  -7.884 -18.879
  181    HD2  PRO  25           2HD      PRO  25   2.201  -9.587 -17.565
  182    HD3  PRO  25           3HD      PRO  25   3.924  -9.449 -17.109
  183    H    LEU  26           H        LEU  26   2.370  -4.545 -15.032
  184    HA   LEU  26           HA       LEU  26  -0.314  -4.213 -16.020
  185    HB2  LEU  26           2HB      LEU  26  -0.073  -5.282 -13.393
  186    HB3  LEU  26           3HB      LEU  26  -0.302  -3.568 -13.131
  187    HG   LEU  26           HG       LEU  26  -2.131  -5.442 -14.695
  188   HD11  LEU  26          1HD1      LEU  26  -3.711  -5.080 -12.870
  189   HD12  LEU  26          2HD1      LEU  26  -2.179  -5.670 -12.212
  190   HD13  LEU  26          3HD1      LEU  26  -2.593  -3.949 -12.078
  191   HD21  LEU  26          3HD2      LEU  26  -2.510  -2.463 -14.132
  192   HD22  LEU  26          1HD2      LEU  26  -2.334  -3.235 -15.739
  193   HD23  LEU  26          2HD2      LEU  26  -3.755  -3.556 -14.761
  194    H    ASP  27           H        ASP  27  -1.007  -1.903 -15.398
  195    HA   ASP  27           HA       ASP  27   1.232  -0.041 -15.634
  196    HB2  ASP  27           2HB      ASP  27  -0.820   0.241 -16.969
  197    HB3  ASP  27           3HB      ASP  27  -1.771   0.425 -15.492
  198    H    LEU  28           H        LEU  28   1.963  -1.037 -13.466
  199    HA   LEU  28           HA       LEU  28   1.095   0.673 -11.195
  200    HB2  LEU  28           2HB      LEU  28   1.446  -2.363 -11.186
  201    HB3  LEU  28           3HB      LEU  28   1.400  -1.385  -9.729
  202    HG   LEU  28           HG       LEU  28  -0.914  -1.680 -11.686
  203   HD11  LEU  28          1HD1      LEU  28  -0.439  -3.762 -10.463
  204   HD12  LEU  28          2HD1      LEU  28  -0.436  -2.881  -8.920
  205   HD13  LEU  28          3HD1      LEU  28  -1.932  -3.022  -9.866
  206   HD21  LEU  28          3HD2      LEU  28  -1.036   0.468 -10.550
  207   HD22  LEU  28          1HD2      LEU  28  -2.244  -0.613  -9.858
  208   HD23  LEU  28          2HD2      LEU  28  -0.734  -0.288  -8.972
  209    H    LEU  29           H        LEU  29   2.779   0.977  -9.656
  210    HA   LEU  29           HA       LEU  29   5.321  -0.441  -9.969
  211    HB2  LEU  29           2HB      LEU  29   5.623   1.608 -11.386
  212    HB3  LEU  29           3HB      LEU  29   5.136   2.606 -10.012
  213    HG   LEU  29           HG       LEU  29   7.118   1.815  -8.725
  214   HD11  LEU  29          1HD1      LEU  29   7.550  -0.371  -9.756
  215   HD12  LEU  29          2HD1      LEU  29   7.876   0.404 -11.323
  216   HD13  LEU  29          3HD1      LEU  29   8.963   0.664  -9.941
  217   HD21  LEU  29          3HD2      LEU  29   8.775   3.106  -9.995
  218   HD22  LEU  29          1HD2      LEU  29   7.771   2.994 -11.458
  219   HD23  LEU  29          2HD2      LEU  29   7.195   3.900 -10.043
  220    H    LEU  30           H        LEU  30   5.976  -0.941  -7.905
  221    HA   LEU  30           HA       LEU  30   4.865   0.596  -5.608
  222    HB2  LEU  30           2HB      LEU  30   4.990  -2.405  -6.073
  223    HB3  LEU  30           3HB      LEU  30   5.127  -1.747  -4.455
  224    HG   LEU  30           HG       LEU  30   2.922  -0.692  -4.609
  225   HD11  LEU  30          1HD1      LEU  30   1.339  -1.498  -6.439
  226   HD12  LEU  30          2HD1      LEU  30   2.515  -0.299  -6.949
  227   HD13  LEU  30          3HD1      LEU  30   2.770  -2.014  -7.354
  228   HD21  LEU  30          3HD2      LEU  30   3.214  -3.003  -3.714
  229   HD22  LEU  30          1HD2      LEU  30   1.617  -2.749  -4.428
  230   HD23  LEU  30          2HD2      LEU  30   2.858  -3.654  -5.323
  231    H    LYS  31           H        LYS  31   6.325   0.752  -3.819
  232    HA   LYS  31           HA       LYS  31   9.101  -0.195  -4.155
  233    HB2  LYS  31           2HB      LYS  31  10.009   2.114  -3.880
  234    HB3  LYS  31           3HB      LYS  31   9.174   1.846  -5.393
  235    HG2  LYS  31           2HG      LYS  31   8.547   3.973  -4.790
  236    HG3  LYS  31           3HG      LYS  31   7.134   3.005  -4.383
  237    HD2  LYS  31           2HD      LYS  31   7.736   3.114  -1.989
  238    HD3  LYS  31           3HD      LYS  31   9.204   4.016  -2.378
  239    HE2  LYS  31           2HE      LYS  31   6.371   4.935  -3.072
  240    HE3  LYS  31           3HE      LYS  31   7.166   5.349  -1.556
  241    HZ1  LYS  31           3HZ      LYS  31   7.441   7.108  -3.177
  242    HZ2  LYS  31           1HZ      LYS  31   8.900   6.481  -2.831
  243    HZ3  LYS  31           2HZ      LYS  31   8.166   6.118  -4.245
  244    H    LEU  32           H        LEU  32  10.413   0.386  -2.171
  245    HA   LEU  32           HA       LEU  32   8.781   0.134   0.288
  246    HB2  LEU  32           2HB      LEU  32  10.738  -1.359  -0.027
  247    HB3  LEU  32           3HB      LEU  32  11.788   0.039  -0.250
  248    HG   LEU  32           HG       LEU  32  11.379   0.732   2.104
  249   HD11  LEU  32          1HD1      LEU  32  10.301  -1.014   3.624
  250   HD12  LEU  32          2HD1      LEU  32   9.179  -0.127   2.588
  251   HD13  LEU  32          3HD1      LEU  32   9.660  -1.779   2.155
  252   HD21  LEU  32          3HD2      LEU  32  12.653  -1.072   3.164
  253   HD22  LEU  32          1HD2      LEU  32  12.257  -2.175   1.826
  254   HD23  LEU  32          2HD2      LEU  32  13.278  -0.749   1.542
  255    H    HIS  33           H        HIS  33   8.441   1.914   1.599
  256    HA   HIS  33           HA       HIS  33  10.409   4.100   1.683
  257    HB2  HIS  33           2HB      HIS  33   8.873   4.929  -0.006
  258    HB3  HIS  33           3HB      HIS  33   7.471   4.455   0.959
  259    HD1  HIS  33           1HD      HIS  33  10.293   7.120   0.985
  260    HD2  HIS  33           2HD      HIS  33   6.617   6.151   2.804
  261    HE1  HIS  33           1HE      HIS  33   9.629   9.140   2.380
  262    H    ASP  34           H        ASP  34  10.699   4.596   3.794
  263    HA   ASP  34           HA       ASP  34  10.584   4.393   6.040
  264    HB2  ASP  34           2HB      ASP  34   9.274   6.404   5.527
  265    HB3  ASP  34           3HB      ASP  34   7.790   5.449   5.519
  266    H    GLU  35           H        GLU  35  10.473   1.939   5.180
  267    HA   GLU  35           HA       GLU  35   9.991  -0.186   5.664
  268    HB2  GLU  35           2HB      GLU  35   8.976   1.020   8.261
  269    HB3  GLU  35           3HB      GLU  35   9.150  -0.702   7.998
  270    HG2  GLU  35           2HG      GLU  35  11.413   1.325   7.842
  271    HG3  GLU  35           3HG      GLU  35  11.073   0.245   9.192
  272    H    ARG  36           H        ARG  36   7.739   1.512   4.312
  273    HA   ARG  36           HA       ARG  36   5.734  -0.691   4.505
  274    HB2  ARG  36           2HB      ARG  36   5.193   2.267   4.068
  275    HB3  ARG  36           3HB      ARG  36   3.982   0.977   4.014
  276    HG2  ARG  36           2HG      ARG  36   4.431   0.469   6.419
  277    HG3  ARG  36           3HG      ARG  36   5.638   1.757   6.450
  278    HD2  ARG  36           2HD      ARG  36   3.688   3.312   5.641
  279    HD3  ARG  36           3HD      ARG  36   2.634   1.999   6.165
  280    HE   ARG  36           HE       ARG  36   3.173   2.426   8.394
  281   HH11  ARG  36          1HH1      ARG  36   5.342   4.295   6.307
  282   HH12  ARG  36          2HH1      ARG  36   6.091   5.161   7.603
  283   HH21  ARG  36          1HH2      ARG  36   4.139   3.642  10.131
  284   HH22  ARG  36          2HH2      ARG  36   5.328   4.842   9.780
  285    H    VAL  37           H        VAL  37   4.927  -1.446   2.500
  286    HA   VAL  37           HA       VAL  37   6.379  -0.464   0.125
  287    HB   VAL  37           HB       VAL  37   4.355  -2.707   0.455
  288   HG11  VAL  37          1HG1      VAL  37   4.151  -1.754  -1.817
  289   HG12  VAL  37          2HG1      VAL  37   5.912  -1.809  -2.019
  290   HG13  VAL  37          3HG1      VAL  37   4.975  -3.315  -1.883
  291   HG21  VAL  37          3HG2      VAL  37   6.411  -4.079  -0.115
  292   HG22  VAL  37          1HG2      VAL  37   7.380  -2.601  -0.022
  293   HG23  VAL  37          2HG2      VAL  37   6.542  -3.213   1.417
  294    H    LEU  38           H        LEU  38   5.588   1.030  -1.214
  295    HA   LEU  38           HA       LEU  38   2.801   2.017  -0.847
  296    HB2  LEU  38           2HB      LEU  38   5.443   3.464  -0.846
  297    HB3  LEU  38           3HB      LEU  38   4.123   4.202  -1.739
  298    HG   LEU  38           HG       LEU  38   2.691   4.184   0.277
  299   HD11  LEU  38          1HD1      LEU  38   5.217   3.233   1.697
  300   HD12  LEU  38          2HD1      LEU  38   3.783   3.902   2.510
  301   HD13  LEU  38          3HD1      LEU  38   3.654   2.392   1.611
  302   HD21  LEU  38          3HD2      LEU  38   3.999   6.171  -0.368
  303   HD22  LEU  38          1HD2      LEU  38   3.892   6.047   1.390
  304   HD23  LEU  38          2HD2      LEU  38   5.392   5.582   0.553
  305    H    VAL  39           H        VAL  39   1.754   2.617  -2.710
  306    HA   VAL  39           HA       VAL  39   2.675   1.646  -5.297
  307    HB   VAL  39           HB       VAL  39   0.240   3.254  -4.388
  308   HG11  VAL  39          1HG1      VAL  39   0.631   3.586  -6.793
  309   HG12  VAL  39          2HG1      VAL  39   0.732   1.823  -7.030
  310   HG13  VAL  39          3HG1      VAL  39  -0.795   2.580  -6.527
  311   HG21  VAL  39          3HG2      VAL  39   0.513   0.275  -4.988
  312   HG22  VAL  39          1HG2      VAL  39   0.256   0.991  -3.385
  313   HG23  VAL  39          2HG2      VAL  39  -1.000   1.122  -4.614
  314    H    ALA  40           H        ALA  40   4.272   2.806  -6.264
  315    HA   ALA  40           HA       ALA  40   4.556   5.720  -5.924
  316    HB1  ALA  40           3HB      ALA  40   6.583   4.331  -6.082
  317    HB2  ALA  40           1HB      ALA  40   6.045   3.673  -7.642
  318    HB3  ALA  40           2HB      ALA  40   6.475   5.390  -7.492
  319    H    PHE  41           H        PHE  41   3.223   3.387  -8.248
  320    HA   PHE  41           HA       PHE  41   1.952   5.623  -9.648
  321    HB2  PHE  41           2HB      PHE  41   4.186   5.038 -10.842
  322    HB3  PHE  41           3HB      PHE  41   3.396   3.536 -11.313
  323    HD1  PHE  41           1HD      PHE  41   3.297   7.247 -11.563
  324    HD2  PHE  41           2HD      PHE  41   1.654   3.540 -13.053
  325    HE1  PHE  41           1HE      PHE  41   2.198   8.476 -13.419
  326    HE2  PHE  41           2HE      PHE  41   0.559   4.781 -14.900
  327    HZ   PHE  41           HZ       PHE  41   0.834   7.243 -15.095
  328    H    GLY  42           H        GLY  42   0.007   4.981 -10.610
  329    HA2  GLY  42           2HA      GLY  42  -1.149   2.632 -11.139
  330    HA3  GLY  42           3HA      GLY  42  -1.130   2.561  -9.367
  331    H    GLN  43           H        GLN  43  -1.461   5.811 -10.276
  332    HA   GLN  43           HA       GLN  43  -4.418   5.745 -10.400
  333    HB2  GLN  43           2HB      GLN  43  -2.681   7.232  -8.380
  334    HB3  GLN  43           3HB      GLN  43  -4.358   7.671  -8.710
  335    HG2  GLN  43           2HG      GLN  43  -3.500   4.933  -7.691
  336    HG3  GLN  43           3HG      GLN  43  -4.084   6.252  -6.692
  337   HE21  GLN  43          2HE2      GLN  43  -5.048   3.726  -8.939
  338   HE22  GLN  43          1HE2      GLN  43  -6.777   3.968  -8.751
  339    H    ARG  44           H        ARG  44  -2.859   6.019 -12.618
  340    HA   ARG  44           HA       ARG  44  -1.911   8.551 -13.252
  341    HB2  ARG  44           2HB      ARG  44  -1.772   7.860 -15.461
  342    HB3  ARG  44           3HB      ARG  44  -1.597   6.386 -14.534
  343    HG2  ARG  44           2HG      ARG  44  -4.059   7.304 -16.087
  344    HG3  ARG  44           3HG      ARG  44  -2.928   6.050 -16.557
  345    HD2  ARG  44           2HD      ARG  44  -4.834   5.923 -14.193
  346    HD3  ARG  44           3HD      ARG  44  -5.025   5.103 -15.741
  347    HE   ARG  44           HE       ARG  44  -2.681   4.057 -15.087
  348   HH11  ARG  44          1HH1      ARG  44  -5.582   4.373 -13.019
  349   HH12  ARG  44          2HH1      ARG  44  -5.017   3.186 -11.894
  350   HH21  ARG  44          1HH2      ARG  44  -2.120   2.403 -13.809
  351   HH22  ARG  44          2HH2      ARG  44  -3.100   1.878 -12.465
  352    H    ASP  45           H        ASP  45  -5.217   7.710 -12.892
  353    HA   ASP  45           HA       ASP  45  -6.525   9.679 -14.488
  354    HB2  ASP  45           2HB      ASP  45  -7.739   7.823 -13.599
  355    HB3  ASP  45           3HB      ASP  45  -7.175   8.138 -11.962
  356    H    GLY  46           H        GLY  46  -4.573   9.989 -11.589
  357    HA2  GLY  46           2HA      GLY  46  -4.982  12.874 -11.469
  358    HA3  GLY  46           3HA      GLY  46  -5.616  11.975 -10.079
  359    H    ILE  47           H        ILE  47  -4.117  12.528  -8.542
  360    HA   ILE  47           HA       ILE  47  -1.298  11.652  -8.947
  361    HB   ILE  47           HB       ILE  47  -0.561  13.579  -7.618
  362   HG12  ILE  47          2HG1      ILE  47  -3.412  14.658  -7.853
  363   HG13  ILE  47          3HG1      ILE  47  -2.716  13.985  -6.379
  364   HG21  ILE  47          1HG2      ILE  47  -2.153  14.503 -10.044
  365   HG22  ILE  47          2HG2      ILE  47  -0.666  15.212  -9.384
  366   HG23  ILE  47          3HG2      ILE  47  -0.617  13.614 -10.125
  367   HD11  ILE  47          3HD1      ILE  47  -0.947  15.756  -6.430
  368   HD12  ILE  47          1HD1      ILE  47  -1.779  16.494  -7.823
  369   HD13  ILE  47          2HD1      ILE  47  -2.599  16.383  -6.259
  370    H    ARG  48           H        ARG  48  -3.702  10.322  -7.718
  371    HA   ARG  48           HA       ARG  48  -3.440  10.521  -4.842
  372    HB2  ARG  48           2HB      ARG  48  -4.983   8.531  -6.553
  373    HB3  ARG  48           3HB      ARG  48  -5.187   8.768  -4.817
  374    HG2  ARG  48           2HG      ARG  48  -5.931  11.097  -5.191
  375    HG3  ARG  48           3HG      ARG  48  -5.793  10.870  -6.943
  376    HD2  ARG  48           2HD      ARG  48  -7.607   9.277  -5.085
  377    HD3  ARG  48           3HD      ARG  48  -8.128  10.586  -6.140
  378    HE   ARG  48           HE       ARG  48  -7.279   7.847  -6.919
  379   HH11  ARG  48          1HH1      ARG  48  -8.393  11.044  -8.137
  380   HH12  ARG  48          2HH1      ARG  48  -8.728  10.371  -9.724
  381   HH21  ARG  48          1HH2      ARG  48  -7.763   7.120  -8.975
  382   HH22  ARG  48          2HH2      ARG  48  -8.440   8.235 -10.170
  383    H    VAL  49           H        VAL  49  -0.995   9.494  -6.336
  384    HA   VAL  49           HA       VAL  49  -0.645   6.697  -5.591
  385    HB   VAL  49           HB       VAL  49   1.716   7.132  -6.126
  386   HG11  VAL  49          1HG1      VAL  49   1.393   7.568  -8.520
  387   HG12  VAL  49          2HG1      VAL  49   0.125   6.494  -7.895
  388   HG13  VAL  49          3HG1      VAL  49  -0.230   8.204  -8.226
  389   HG21  VAL  49          3HG2      VAL  49   1.892   9.508  -5.387
  390   HG22  VAL  49          1HG2      VAL  49   2.493   9.237  -7.025
  391   HG23  VAL  49          2HG2      VAL  49   0.911  10.001  -6.785
  392    H    GLY  50           H        GLY  50   1.322   6.212  -4.082
  393    HA2  GLY  50           2HA      GLY  50   2.317   6.510  -1.993
  394    HA3  GLY  50           3HA      GLY  50   1.267   7.883  -1.631
  395    H    HIS  51           H        HIS  51  -0.637   5.313  -2.866
  396    HA   HIS  51           HA       HIS  51  -1.871   4.635  -0.379
  397    HB2  HIS  51           2HB      HIS  51  -1.720   3.145  -3.043
  398    HB3  HIS  51           3HB      HIS  51  -2.640   2.577  -1.657
  399    HD1  HIS  51           1HD      HIS  51  -3.082   4.835  -4.607
  400    HD2  HIS  51           2HD      HIS  51  -4.623   4.322  -0.734
  401    HE1  HIS  51           1HE      HIS  51  -5.272   6.124  -4.532
  402    H    ALA  52           H        ALA  52  -1.237   3.183   1.159
  403    HA   ALA  52           HA       ALA  52   1.346   1.752   0.870
  404    HB1  ALA  52           3HB      ALA  52  -0.561   2.138   3.223
  405    HB2  ALA  52           1HB      ALA  52   0.995   1.276   3.283
  406    HB3  ALA  52           2HB      ALA  52   0.965   3.025   2.957
  407    H    VAL  53           H        VAL  53   1.359  -0.509   0.783
  408    HA   VAL  53           HA       VAL  53  -1.140  -1.908   0.182
  409    HB   VAL  53           HB       VAL  53   1.638  -3.030   0.767
  410   HG11  VAL  53          1HG1      VAL  53   0.761  -5.011  -0.498
  411   HG12  VAL  53          2HG1      VAL  53  -0.074  -4.753   1.034
  412   HG13  VAL  53          3HG1      VAL  53  -0.850  -4.265  -0.485
  413   HG21  VAL  53          3HG2      VAL  53   1.835  -3.257  -1.694
  414   HG22  VAL  53          1HG2      VAL  53   0.295  -2.394  -1.902
  415   HG23  VAL  53          2HG2      VAL  53   1.711  -1.561  -1.225
  416    H    LEU  54           H        LEU  54  -2.301  -3.203   1.636
  417    HA   LEU  54           HA       LEU  54  -1.587  -2.888   4.525
  418    HB2  LEU  54           2HB      LEU  54  -4.348  -2.810   3.264
  419    HB3  LEU  54           3HB      LEU  54  -3.985  -2.719   4.985
  420    HG   LEU  54           HG       LEU  54  -3.203  -0.640   2.899
  421   HD11  LEU  54          1HD1      LEU  54  -5.324  -0.611   5.080
  422   HD12  LEU  54          2HD1      LEU  54  -4.886   0.762   4.045
  423   HD13  LEU  54          3HD1      LEU  54  -5.605  -0.696   3.329
  424   HD21  LEU  54          3HD2      LEU  54  -1.569  -0.643   4.773
  425   HD22  LEU  54          1HD2      LEU  54  -2.564   0.812   4.769
  426   HD23  LEU  54          2HD2      LEU  54  -2.920  -0.494   5.922
  427    H    ALA  55           H        ALA  55  -2.972  -5.050   1.985
  428    HA   ALA  55           HA       ALA  55  -2.045  -7.270   3.622
  429    HB1  ALA  55           3HB      ALA  55  -4.138  -8.510   3.631
  430    HB2  ALA  55           1HB      ALA  55  -4.447  -6.933   4.380
  431    HB3  ALA  55           2HB      ALA  55  -4.948  -7.251   2.698
  432    H    ILE  56           H        ILE  56  -2.006  -9.287   2.386
  433    HA   ILE  56           HA       ILE  56  -2.578  -9.140  -0.510
  434    HB   ILE  56           HB       ILE  56   0.106 -10.047   0.624
  435   HG12  ILE  56          2HG1      ILE  56  -0.459  -7.738  -1.291
  436   HG13  ILE  56          3HG1      ILE  56  -0.154  -7.534   0.434
  437   HG21  ILE  56          1HG2      ILE  56   0.684 -10.435  -1.802
  438   HG22  ILE  56          2HG2      ILE  56  -0.598 -11.485  -1.244
  439   HG23  ILE  56          3HG2      ILE  56  -0.998 -10.066  -2.232
  440   HD11  ILE  56          3HD1      ILE  56   1.841  -8.609  -1.567
  441   HD12  ILE  56          1HD1      ILE  56   1.843  -7.058  -0.726
  442   HD13  ILE  56          2HD1      ILE  56   2.076  -8.561   0.194
  443    H    ASN  57           H        ASN  57  -3.361 -11.105  -1.196
  444    HA   ASN  57           HA       ASN  57  -4.575 -12.953  -1.023
  445    HB2  ASN  57           2HB      ASN  57  -3.420 -15.005  -0.645
  446    HB3  ASN  57           3HB      ASN  57  -2.377 -13.878  -1.486
  447   HD21  ASN  57          2HD2      ASN  57  -0.264 -14.199  -0.813
  448   HD22  ASN  57          1HD2      ASN  57   0.208 -14.453   0.843
  449    H    GLY  58           H        GLY  58  -4.816 -11.133   1.327
  450    HA2  GLY  58           2HA      GLY  58  -6.619 -11.286   2.877
  451    HA3  GLY  58           3HA      GLY  58  -6.257 -12.987   3.150
  452    H    MET  59           H        MET  59  -3.228 -12.265   3.255
  453    HA   MET  59           HA       MET  59  -3.162 -11.940   6.161
  454    HB2  MET  59           2HB      MET  59  -0.990 -12.248   4.037
  455    HB3  MET  59           3HB      MET  59  -0.669 -12.020   5.756
  456    HG2  MET  59           2HG      MET  59  -2.093 -14.062   6.211
  457    HG3  MET  59           3HG      MET  59  -2.086 -14.374   4.474
  458    HE1  MET  59           3HE      MET  59   0.829 -13.644   3.506
  459    HE2  MET  59           1HE      MET  59   1.723 -15.155   3.788
  460    HE3  MET  59           2HE      MET  59   0.080 -15.212   3.121
  461    H    ASP  60           H        ASP  60  -3.246  -9.974   7.071
  462    HA   ASP  60           HA       ASP  60  -2.748  -7.450   5.851
  463    HB2  ASP  60           2HB      ASP  60  -3.993  -7.653   7.919
  464    HB3  ASP  60           3HB      ASP  60  -2.616  -8.397   8.734
  465    H    VAL  61           H        VAL  61  -0.813  -6.292   5.548
  466    HA   VAL  61           HA       VAL  61   1.662  -7.864   6.031
  467    HB   VAL  61           HB       VAL  61   2.760  -6.507   4.392
  468   HG11  VAL  61          1HG1      VAL  61   0.152  -7.655   3.308
  469   HG12  VAL  61          2HG1      VAL  61   1.653  -7.401   2.405
  470   HG13  VAL  61          3HG1      VAL  61   1.596  -8.588   3.715
  471   HG21  VAL  61          3HG2      VAL  61   1.526  -4.366   4.504
  472   HG22  VAL  61          1HG2      VAL  61   1.610  -5.000   2.864
  473   HG23  VAL  61          2HG2      VAL  61   0.106  -5.157   3.787
  474    H    ASN  62           H        ASN  62   3.105  -7.303   7.408
  475    HA   ASN  62           HA       ASN  62   2.862  -4.980   9.182
  476    HB2  ASN  62           2HB      ASN  62   3.553  -7.142  10.126
  477    HB3  ASN  62           3HB      ASN  62   4.868  -7.261   8.951
  478   HD21  ASN  62          2HD2      ASN  62   6.384  -7.435  10.751
  479   HD22  ASN  62          1HD2      ASN  62   6.859  -6.013  11.644
  480    H    GLY  63           H        GLY  63   2.917  -3.575   7.267
  481    HA2  GLY  63           2HA      GLY  63   3.914  -1.839   6.207
  482    HA3  GLY  63           3HA      GLY  63   5.421  -2.249   7.037
  483    H    ARG  64           H        ARG  64   6.575  -4.219   6.101
  484    HA   ARG  64           HA       ARG  64   6.196  -4.557   3.190
  485    HB2  ARG  64           2HB      ARG  64   8.568  -4.286   2.716
  486    HB3  ARG  64           3HB      ARG  64   7.873  -2.806   3.356
  487    HG2  ARG  64           2HG      ARG  64   9.239  -2.745   5.126
  488    HG3  ARG  64           3HG      ARG  64   9.056  -4.452   5.500
  489    HD2  ARG  64           2HD      ARG  64  10.807  -5.110   4.053
  490    HD3  ARG  64           3HD      ARG  64  10.758  -3.593   3.141
  491    HE   ARG  64           HE       ARG  64  11.377  -2.930   5.806
  492   HH11  ARG  64          1HH1      ARG  64  13.002  -4.839   3.238
  493   HH12  ARG  64          2HH1      ARG  64  14.565  -4.222   3.649
  494   HH21  ARG  64          1HH2      ARG  64  13.378  -2.103   6.263
  495   HH22  ARG  64          2HH2      ARG  64  14.806  -2.716   5.478
  496    H    TYR  65           H        TYR  65   6.019  -6.180   5.951
  497    HA   TYR  65           HA       TYR  65   7.106  -8.605   4.602
  498    HB2  TYR  65           2HB      TYR  65   7.092  -8.021   7.582
  499    HB3  TYR  65           3HB      TYR  65   7.514  -9.563   6.843
  500    HD1  TYR  65           1HD      TYR  65   9.582  -9.807   5.475
  501    HD2  TYR  65           2HD      TYR  65   8.658  -6.126   7.528
  502    HE1  TYR  65           1HE      TYR  65  11.899  -9.032   5.109
  503    HE2  TYR  65           2HE      TYR  65  10.974  -5.321   7.130
  504    HH   TYR  65           HH       TYR  65  13.445  -7.321   5.452
  505    H    THR  66           H        THR  66   5.646 -10.442   4.666
  506    HA   THR  66           HA       THR  66   2.868  -9.761   5.172
  507    HB   THR  66           HB       THR  66   2.446 -12.154   4.739
  508    HG1  THR  66           1HG      THR  66   4.178 -13.450   4.100
  509   HG21  THR  66          3HG2      THR  66   3.159 -12.196   2.396
  510   HG22  THR  66          1HG2      THR  66   2.605 -10.574   2.843
  511   HG23  THR  66          2HG2      THR  66   4.351 -10.914   2.701
  512    H    ALA  67           H        ALA  67   1.544 -11.226   6.603
  513    HA   ALA  67           HA       ALA  67   2.309 -11.185   9.331
  514    HB1  ALA  67           3HB      ALA  67   0.370 -12.740   9.579
  515    HB2  ALA  67           1HB      ALA  67  -0.026 -11.374   8.508
  516    HB3  ALA  67           2HB      ALA  67   0.357 -12.969   7.814
  517    H    ASP  68           H        ASP  68   2.635 -13.669   6.802
  518    HA   ASP  68           HA       ASP  68   3.730 -15.750   8.464
  519    HB2  ASP  68           2HB      ASP  68   2.717 -16.278   6.326
  520    HB3  ASP  68           3HB      ASP  68   3.866 -15.243   5.470
  521    H    GLY  69           H        GLY  69   5.190 -13.135   6.491
  522    HA2  GLY  69           2HA      GLY  69   7.089 -12.068   7.651
  523    HA3  GLY  69           3HA      GLY  69   7.831 -13.660   7.811
  524    H    LYS  70           H        LYS  70   6.367 -13.540   4.740
  525    HA   LYS  70           HA       LYS  70   8.847 -13.444   3.286
  526    HB2  LYS  70           2HB      LYS  70   5.989 -12.891   2.339
  527    HB3  LYS  70           3HB      LYS  70   7.359 -13.276   1.307
  528    HG2  LYS  70           2HG      LYS  70   6.232 -15.191   3.399
  529    HG3  LYS  70           3HG      LYS  70   5.713 -15.150   1.719
  530    HD2  LYS  70           2HD      LYS  70   7.911 -15.703   0.910
  531    HD3  LYS  70           3HD      LYS  70   8.621 -15.621   2.531
  532    HE2  LYS  70           2HE      LYS  70   6.326 -17.493   1.858
  533    HE3  LYS  70           3HE      LYS  70   8.009 -17.941   1.536
  534    HZ1  LYS  70           3HZ      LYS  70   8.453 -17.631   3.918
  535    HZ2  LYS  70           1HZ      LYS  70   6.858 -17.331   4.205
  536    HZ3  LYS  70           2HZ      LYS  70   7.336 -18.786   3.651
  537    H    GLU  71           H        GLU  71   9.889 -11.614   2.331
  538    HA   GLU  71           HA       GLU  71   8.979  -8.962   3.129
  539    HB2  GLU  71           2HB      GLU  71  11.379  -9.413   2.790
  540    HB3  GLU  71           3HB      GLU  71  11.086  -9.782   1.081
  541    HG2  GLU  71           2HG      GLU  71  10.326  -7.501   0.657
  542    HG3  GLU  71           3HG      GLU  71  10.306  -7.141   2.385
  543    H    VAL  72           H        VAL  72   7.548  -7.746   2.037
  544    HA   VAL  72           HA       VAL  72   5.773  -8.964   0.239
  545    HB   VAL  72           HB       VAL  72   6.226  -6.099   1.130
  546   HG11  VAL  72          1HG1      VAL  72   5.163  -5.795  -1.012
  547   HG12  VAL  72          2HG1      VAL  72   4.063  -7.136  -0.720
  548   HG13  VAL  72          3HG1      VAL  72   3.902  -5.624   0.216
  549   HG21  VAL  72          3HG2      VAL  72   4.002  -8.101   1.727
  550   HG22  VAL  72          1HG2      VAL  72   5.383  -7.797   2.784
  551   HG23  VAL  72          2HG2      VAL  72   4.222  -6.498   2.464
  552    H    LEU  73           H        LEU  73   8.502  -6.703  -0.513
  553    HA   LEU  73           HA       LEU  73   7.743  -6.485  -3.286
  554    HB2  LEU  73           2HB      LEU  73  10.448  -6.086  -1.935
  555    HB3  LEU  73           3HB      LEU  73  10.119  -5.734  -3.627
  556    HG   LEU  73           HG       LEU  73   8.803  -4.363  -1.247
  557   HD11  LEU  73          1HD1      LEU  73  11.154  -3.732  -1.571
  558   HD12  LEU  73          2HD1      LEU  73  10.844  -3.373  -3.284
  559   HD13  LEU  73          3HD1      LEU  73  10.082  -2.395  -2.014
  560   HD21  LEU  73          3HD2      LEU  73   7.193  -4.367  -3.081
  561   HD22  LEU  73          1HD2      LEU  73   7.910  -2.762  -2.965
  562   HD23  LEU  73          2HD2      LEU  73   8.450  -3.873  -4.240
  563    H    GLU  74           H        GLU  74   9.936  -8.729  -1.542
  564    HA   GLU  74           HA       GLU  74  10.869 -10.054  -3.914
  565    HB2  GLU  74           2HB      GLU  74  12.013 -10.103  -1.702
  566    HB3  GLU  74           3HB      GLU  74  10.686 -11.070  -1.040
  567    HG2  GLU  74           2HG      GLU  74  11.184 -12.883  -2.643
  568    HG3  GLU  74           3HG      GLU  74  12.442 -11.896  -3.394
  569    H    TYR  75           H        TYR  75   8.180 -10.657  -1.616
  570    HA   TYR  75           HA       TYR  75   7.228 -13.063  -2.746
  571    HB2  TYR  75           2HB      TYR  75   6.559 -12.190  -0.541
  572    HB3  TYR  75           3HB      TYR  75   5.733 -10.837  -1.294
  573    HD1  TYR  75           2HD      TYR  75   5.693 -14.529  -0.835
  574    HD2  TYR  75           1HD      TYR  75   3.526 -11.084  -2.274
  575    HE1  TYR  75           2HE      TYR  75   3.678 -15.928  -1.113
  576    HE2  TYR  75           1HE      TYR  75   1.507 -12.486  -2.585
  577    HH   TYR  75           HH       TYR  75   1.446 -15.993  -1.841
  578    H    LEU  76           H        LEU  76   6.196  -9.644  -3.405
  579    HA   LEU  76           HA       LEU  76   4.275 -10.427  -5.407
  580    HB2  LEU  76           2HB      LEU  76   5.646  -7.789  -4.747
  581    HB3  LEU  76           3HB      LEU  76   4.460  -7.939  -6.034
  582    HG   LEU  76           HG       LEU  76   3.883  -8.583  -3.109
  583   HD11  LEU  76          1HD1      LEU  76   4.340  -6.191  -3.444
  584   HD12  LEU  76          2HD1      LEU  76   3.157  -6.128  -4.765
  585   HD13  LEU  76          3HD1      LEU  76   2.626  -6.461  -3.104
  586   HD21  LEU  76          3HD2      LEU  76   1.482  -8.465  -3.872
  587   HD22  LEU  76          1HD2      LEU  76   2.054  -8.423  -5.546
  588   HD23  LEU  76          2HD2      LEU  76   2.364  -9.842  -4.526
  589    H    GLY  77           H        GLY  77   7.736  -9.775  -5.469
  590    HA2  GLY  77           2HA      GLY  77   8.005  -9.557  -8.314
  591    HA3  GLY  77           3HA      GLY  77   9.274  -9.919  -7.134
  592    H    ASN  78           H        ASN  78   7.340 -12.385  -6.340
  593    HA   ASN  78           HA       ASN  78   8.819 -14.249  -8.046
  594    HB2  ASN  78           2HB      ASN  78   8.646 -14.719  -5.667
  595    HB3  ASN  78           3HB      ASN  78   6.883 -14.657  -5.752
  596   HD21  ASN  78          2HD2      ASN  78   6.267 -16.768  -5.320
  597   HD22  ASN  78          1HD2      ASN  78   6.912 -18.174  -6.150
  598    HA   PRO  79           HA       PRO  79   5.251 -14.069 -10.739
  599    HB2  PRO  79           2HB      PRO  79   6.035 -15.573 -12.857
  600    HB3  PRO  79           3HB      PRO  79   6.631 -13.920 -12.498
  601    HG2  PRO  79           2HG      PRO  79   7.944 -16.569 -11.771
  602    HG3  PRO  79           3HG      PRO  79   8.698 -15.150 -12.568
  603    HD2  PRO  79           2HD      PRO  79   8.917 -15.561  -9.888
  604    HD3  PRO  79           3HD      PRO  79   8.717 -13.916 -10.559
  605    H    ALA  80           H        ALA  80   6.434 -17.114  -9.444
  606    HA   ALA  80           HA       ALA  80   4.217 -18.711 -10.250
  607    HB1  ALA  80           3HB      ALA  80   6.335 -19.637  -9.366
  608    HB2  ALA  80           1HB      ALA  80   5.947 -18.976  -7.760
  609    HB3  ALA  80           2HB      ALA  80   4.924 -20.233  -8.475
  610    H    ASN  81           H        ASN  81   4.233 -15.998  -8.114
  611    HA   ASN  81           HA       ASN  81   1.465 -16.677  -7.356
  612    HB2  ASN  81           2HB      ASN  81   1.701 -15.839  -5.111
  613    HB3  ASN  81           3HB      ASN  81   2.752 -17.225  -5.372
  614   HD21  ASN  81          2HD2      ASN  81   2.863 -13.614  -5.516
  615   HD22  ASN  81          1HD2      ASN  81   4.505 -13.489  -4.881
  616    H    TYR  82           H        TYR  82   2.648 -14.955  -9.510
  617    HA   TYR  82           HA       TYR  82   2.136 -12.221  -8.856
  618    HB2  TYR  82           2HB      TYR  82   1.946 -13.836 -11.407
  619    HB3  TYR  82           3HB      TYR  82   1.335 -12.197 -11.345
  620    HD1  TYR  82           1HD      TYR  82   4.170 -12.042  -9.202
  621    HD2  TYR  82           2HD      TYR  82   3.064 -12.485 -13.367
  622    HE1  TYR  82           1HE      TYR  82   6.309 -11.052  -9.889
  623    HE2  TYR  82           2HE      TYR  82   5.236 -11.532 -14.047
  624    HH   TYR  82           HH       TYR  82   7.261 -10.616 -13.324
  625    HA   PRO  83           HA       PRO  83  -2.474 -12.822  -9.645
  626    HB2  PRO  83           2HB      PRO  83  -3.688 -15.271  -9.530
  627    HB3  PRO  83           3HB      PRO  83  -3.052 -14.534 -11.028
  628    HG2  PRO  83           2HG      PRO  83  -1.702 -16.578  -9.247
  629    HG3  PRO  83           3HG      PRO  83  -1.842 -16.579 -11.034
  630    HD2  PRO  83           2HD      PRO  83   0.387 -15.716  -9.768
  631    HD3  PRO  83           3HD      PRO  83  -0.189 -14.916 -11.257
  632    H    VAL  84           H        VAL  84  -2.721 -11.788  -7.687
  633    HA   VAL  84           HA       VAL  84  -3.557 -13.475  -5.412
  634    HB   VAL  84           HB       VAL  84  -2.212 -11.994  -3.825
  635   HG11  VAL  84          1HG1      VAL  84  -0.633 -14.007  -5.440
  636   HG12  VAL  84          2HG1      VAL  84  -0.286 -13.452  -3.796
  637   HG13  VAL  84          3HG1      VAL  84  -1.757 -14.381  -4.121
  638   HG21  VAL  84          3HG2      VAL  84  -0.353 -11.584  -6.192
  639   HG22  VAL  84          1HG2      VAL  84  -1.400 -10.325  -5.503
  640   HG23  VAL  84          2HG2      VAL  84  -0.115 -11.048  -4.524
  641    H    SER  85           H        SER  85  -4.748 -12.255  -3.793
  642    HA   SER  85           HA       SER  85  -6.094  -9.851  -4.832
  643    HB2  SER  85           2HB      SER  85  -6.409 -11.363  -2.209
  644    HB3  SER  85           3HB      SER  85  -7.493 -10.115  -2.855
  645    HG   SER  85           HG       SER  85  -8.261 -12.253  -3.253
  646    H    ILE  86           H        ILE  86  -5.806  -7.808  -3.826
  647    HA   ILE  86           HA       ILE  86  -3.834  -7.636  -1.620
  648    HB   ILE  86           HB       ILE  86  -3.789  -5.878  -4.110
  649   HG12  ILE  86          2HG1      ILE  86  -1.900  -8.124  -3.273
  650   HG13  ILE  86          3HG1      ILE  86  -2.936  -8.099  -4.699
  651   HG21  ILE  86          1HG2      ILE  86  -3.070  -4.700  -2.041
  652   HG22  ILE  86          2HG2      ILE  86  -1.867  -5.967  -1.749
  653   HG23  ILE  86          3HG2      ILE  86  -1.741  -4.897  -3.158
  654   HD11  ILE  86          3HD1      ILE  86  -1.611  -6.150  -5.573
  655   HD12  ILE  86          1HD1      ILE  86  -0.456  -6.429  -4.240
  656   HD13  ILE  86          2HD1      ILE  86  -0.737  -7.690  -5.446
  657    H    ARG  87           H        ARG  87  -4.252  -5.953  -0.233
  658    HA   ARG  87           HA       ARG  87  -6.654  -4.250  -0.729
  659    HB2  ARG  87           2HB      ARG  87  -5.692  -5.264   1.999
  660    HB3  ARG  87           3HB      ARG  87  -7.003  -4.128   1.698
  661    HG2  ARG  87           2HG      ARG  87  -8.144  -5.929   0.351
  662    HG3  ARG  87           3HG      ARG  87  -6.953  -7.084   0.954
  663    HD2  ARG  87           2HD      ARG  87  -8.809  -5.395   2.695
  664    HD3  ARG  87           3HD      ARG  87  -9.163  -7.038   2.197
  665    HE   ARG  87           HE       ARG  87  -7.206  -6.139   4.198
  666   HH11  ARG  87          1HH1      ARG  87  -8.406  -8.948   2.313
  667   HH12  ARG  87          2HH1      ARG  87  -8.012 -10.073   3.566
  668   HH21  ARG  87          1HH2      ARG  87  -6.497  -7.732   5.725
  669   HH22  ARG  87          2HH2      ARG  87  -6.599  -9.410   5.331
  670    H    PHE  88           H        PHE  88  -6.078  -2.085  -0.594
  671    HA   PHE  88           HA       PHE  88  -3.610  -1.332   0.772
  672    HB2  PHE  88           2HB      PHE  88  -2.785  -0.020  -1.144
  673    HB3  PHE  88           3HB      PHE  88  -2.721  -1.746  -1.410
  674    HD1  PHE  88           1HD      PHE  88  -4.779   1.305  -2.208
  675    HD2  PHE  88           2HD      PHE  88  -3.579  -2.678  -3.407
  676    HE1  PHE  88           1HE      PHE  88  -5.845   1.641  -4.417
  677    HE2  PHE  88           2HE      PHE  88  -4.610  -2.306  -5.613
  678    HZ   PHE  88           HZ       PHE  88  -5.767  -0.164  -6.129
  679    H    GLY  89           H        GLY  89  -3.513   1.099   0.906
  680    HA2  GLY  89           2HA      GLY  89  -5.984   2.588   0.642
  681    HA3  GLY  89           3HA      GLY  89  -5.710   1.962   2.290
  682    H    ARG  90           H        ARG  90  -5.638   4.467   2.615
  683    HA   ARG  90           HA       ARG  90  -3.092   5.692   1.816
  684    HB2  ARG  90           2HB      ARG  90  -5.071   6.520   3.956
  685    HB3  ARG  90           3HB      ARG  90  -3.741   7.479   3.309
  686    HG2  ARG  90           2HG      ARG  90  -6.354   6.766   1.984
  687    HG3  ARG  90           3HG      ARG  90  -5.703   8.361   2.331
  688    HD2  ARG  90           2HD      ARG  90  -4.756   6.406   0.212
  689    HD3  ARG  90           3HD      ARG  90  -5.633   7.913  -0.052
  690    HE   ARG  90           HE       ARG  90  -3.306   8.672   1.287
  691   HH11  ARG  90          1HH1      ARG  90  -4.163   7.090  -1.808
  692   HH12  ARG  90          2HH1      ARG  90  -2.843   7.755  -2.684
  693   HH21  ARG  90          1HH2      ARG  90  -1.405   9.331   0.194
  694   HH22  ARG  90          2HH2      ARG  90  -1.202   9.019  -1.529
  695    HA   PRO  91           HA       PRO  91  -0.389   4.005   4.750
  696    HB2  PRO  91           2HB      PRO  91   0.056   6.800   5.843
  697    HB3  PRO  91           3HB      PRO  91   1.284   5.541   5.477
  698    HG2  PRO  91           2HG      PRO  91   0.838   7.525   3.703
  699    HG3  PRO  91           3HG      PRO  91   0.959   5.834   3.112
  700    HD2  PRO  91           2HD      PRO  91  -1.519   7.483   3.615
  701    HD3  PRO  91           3HD      PRO  91  -1.141   6.388   2.252
  702    H    ARG  92           H        ARG  92   0.050   3.421   6.901
  703    HA   ARG  92           HA       ARG  92  -2.196   3.016   8.560
  704    HB2  ARG  92           2HB      ARG  92   0.766   2.860   9.270
  705    HB3  ARG  92           3HB      ARG  92  -0.525   2.092  10.171
  706    HG2  ARG  92           2HG      ARG  92   0.201   1.345   7.303
  707    HG3  ARG  92           3HG      ARG  92   0.850   0.579   8.750
  708    HD2  ARG  92           2HD      ARG  92  -1.486  -0.032   9.438
  709    HD3  ARG  92           3HD      ARG  92  -2.056   0.570   7.867
  710    HE   ARG  92           HE       ARG  92   0.055  -1.210   7.345
  711   HH11  ARG  92          1HH1      ARG  92  -3.244  -1.504   8.736
  712   HH12  ARG  92          2HH1      ARG  92  -3.317  -3.209   8.351
  713   HH21  ARG  92          1HH2      ARG  92  -0.164  -3.551   7.014
  714   HH22  ARG  92          2HH2      ARG  92  -1.725  -4.246   7.329
  715    H    LEU  93           H        LEU  93  -0.521   5.925   8.302
  716    HA   LEU  93           HA       LEU  93  -1.282   6.891  10.956
  717    HB2  LEU  93           2HB      LEU  93   0.813   7.713  11.559
  718    HB3  LEU  93           3HB      LEU  93   1.108   6.050  11.100
  719    HG   LEU  93           HG       LEU  93   1.768   8.543   9.455
  720   HD11  LEU  93          1HD1      LEU  93   4.098   7.918   9.907
  721   HD12  LEU  93          2HD1      LEU  93   3.210   8.191  11.411
  722   HD13  LEU  93          3HD1      LEU  93   3.553   6.531  10.880
  723   HD21  LEU  93          3HD2      LEU  93   1.303   6.818   7.843
  724   HD22  LEU  93          1HD2      LEU  93   3.051   6.938   7.980
  725   HD23  LEU  93          2HD2      LEU  93   2.199   5.600   8.785
  726    H    THR  94           H        THR  94  -0.582   9.402  10.906
  727    HA   THR  94           HA       THR  94  -2.442  10.579   9.366
  728    HB   THR  94           HB       THR  94  -0.058  12.158  10.327
  729    HG1  THR  94           1HG      THR  94  -0.589  11.792  12.435
  730   HG21  THR  94          3HG2      THR  94  -1.821  13.584  11.342
  731   HG22  THR  94          1HG2      THR  94  -2.084  13.392   9.607
  732   HG23  THR  94          2HG2      THR  94  -3.072  12.463  10.755
  733    H    SER  95           H        SER  95   0.699   9.764   8.071
  734    HA   SER  95           HA       SER  95   1.140  11.740   6.149
  735    HB2  SER  95           2HB      SER  95   1.495   8.739   5.807
  736    HB3  SER  95           3HB      SER  95   2.399  10.031   4.996
  737    HG   SER  95           HG       SER  95   3.607   9.246   6.724
  738    H    ASN  96           H        ASN  96   0.264  12.213   4.169
  739    HA   ASN  96           HA       ASN  96  -2.462  11.881   3.854
  740    HB2  ASN  96           2HB      ASN  96  -1.285  13.713   2.755
  741    HB3  ASN  96           3HB      ASN  96  -0.397  12.570   1.729
  742   HD21  ASN  96          2HD2      ASN  96  -3.812  13.436   2.599
  743   HD22  ASN  96          1HD2      ASN  96  -4.447  13.158   1.000
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   0.133  19.595  -0.113
    2    H2   MET   1           H2       MET   1  -0.715  18.801   1.034
    3    H3   MET   1           H3       MET   1   0.864  18.429   0.778
    4    HA   MET   1           HA       MET   1   0.376  17.628  -1.422
    5    HB2  MET   1           2HB      MET   1   0.375  16.031   0.474
    6    HB3  MET   1           3HB      MET   1  -1.351  16.311   0.723
    7    HG2  MET   1           2HG      MET   1  -0.885  14.228  -0.505
    8    HG3  MET   1           3HG      MET   1  -1.873  15.336  -1.445
    9    HE1  MET   1           3HE      MET   1   0.114  13.457  -4.224
   10    HE2  MET   1           1HE      MET   1  -0.514  12.788  -2.703
   11    HE3  MET   1           2HE      MET   1  -1.485  13.957  -3.626
   12    H    GLY   2           H        GLY   2  -1.110  17.343  -3.159
   13    HA2  GLY   2           2HA      GLY   2  -3.905  17.796  -2.972
   14    HA3  GLY   2           3HA      GLY   2  -3.099  19.254  -3.590
   15    H    HIS   3           H        HIS   3  -4.776  18.058  -5.321
   16    HA   HIS   3           HA       HIS   3  -3.882  15.803  -6.689
   17    HB2  HIS   3           2HB      HIS   3  -5.566  16.228  -8.269
   18    HB3  HIS   3           3HB      HIS   3  -6.174  16.802  -6.736
   19    HD1  HIS   3           1HD      HIS   3  -6.617  19.505  -6.578
   20    HD2  HIS   3           2HD      HIS   3  -5.053  18.037 -10.206
   21    HE1  HIS   3           1HE      HIS   3  -6.790  21.406  -8.254
   22    H    HIS   4           H        HIS   4  -2.895  19.173  -7.174
   23    HA   HIS   4           HA       HIS   4  -1.582  18.848  -9.679
   24    HB2  HIS   4           2HB      HIS   4  -2.088  21.035  -8.669
   25    HB3  HIS   4           3HB      HIS   4  -0.958  20.716  -7.351
   26    HD1  HIS   4           1HD      HIS   4   1.554  21.411  -7.833
   27    HD2  HIS   4           2HD      HIS   4  -0.931  21.212 -11.230
   28    HE1  HIS   4           1HE      HIS   4   2.930  22.302  -9.778
   29    H    HIS   5           H        HIS   5  -0.378  18.414  -6.294
   30    HA   HIS   5           HA       HIS   5   2.283  17.626  -7.118
   31    HB2  HIS   5           2HB      HIS   5   1.626  18.609  -4.888
   32    HB3  HIS   5           3HB      HIS   5   0.846  17.080  -4.491
   33    HD1  HIS   5           1HD      HIS   5   3.440  15.319  -5.751
   34    HD2  HIS   5           2HD      HIS   5   3.384  18.423  -2.905
   35    HE1  HIS   5           1HE      HIS   5   5.554  15.046  -4.349
   36    H    HIS   6           H        HIS   6  -0.776  15.923  -6.421
   37    HA   HIS   6           HA       HIS   6   0.163  13.251  -6.634
   38    HB2  HIS   6           2HB      HIS   6  -2.129  14.291  -5.884
   39    HB3  HIS   6           3HB      HIS   6  -2.549  14.200  -7.592
   40    HD1  HIS   6           1HD      HIS   6  -1.259  11.195  -8.062
   41    HD2  HIS   6           2HD      HIS   6  -3.929  12.566  -5.101
   42    HE1  HIS   6           1HE      HIS   6  -2.590   9.181  -7.306
   43    H    HIS   7           H        HIS   7  -0.111  15.722  -9.053
   44    HA   HIS   7           HA       HIS   7  -0.257  15.838 -11.247
   45    HB2  HIS   7           2HB      HIS   7   1.606  13.424 -11.123
   46    HB3  HIS   7           3HB      HIS   7   1.292  14.371 -12.572
   47    HD1  HIS   7           1HD      HIS   7   2.783  15.071  -9.021
   48    HD2  HIS   7           2HD      HIS   7   2.855  16.373 -13.030
   49    HE1  HIS   7           1HE      HIS   7   4.621  16.820  -9.174
   50    H    HIS   8           H        HIS   8  -2.492  15.000 -10.325
   51    HA   HIS   8           HA       HIS   8  -3.560  13.150 -12.314
   52    HB2  HIS   8           2HB      HIS   8  -2.589  11.898 -10.124
   53    HB3  HIS   8           3HB      HIS   8  -4.117  12.406  -9.433
   54    HD1  HIS   8           1HD      HIS   8  -5.512  10.167  -9.502
   55    HD2  HIS   8           2HD      HIS   8  -3.295  10.943 -12.994
   56    HE1  HIS   8           1HE      HIS   8  -6.112   8.327 -11.167
   57    H    LEU   9           H        LEU   9  -6.036  12.868 -11.839
   58    HA   LEU   9           HA       LEU   9  -7.188  15.490 -11.211
   59    HB2  LEU   9           2HB      LEU   9  -9.190  14.715 -12.017
   60    HB3  LEU   9           3HB      LEU   9  -8.027  13.920 -13.058
   61    HG   LEU   9           HG       LEU   9  -9.547  12.634 -10.729
   62   HD11  LEU   9          1HD1      LEU   9 -10.969  13.187 -12.656
   63   HD12  LEU   9          2HD1      LEU   9  -9.866  12.308 -13.737
   64   HD13  LEU   9          3HD1      LEU   9 -10.775  11.438 -12.481
   65   HD21  LEU   9          3HD2      LEU   9  -7.407  11.482 -11.003
   66   HD22  LEU   9          1HD2      LEU   9  -8.712  10.474 -11.618
   67   HD23  LEU   9          2HD2      LEU   9  -7.668  11.349 -12.758
   68    H    ASP  10           H        ASP  10  -9.149  15.462  -9.677
   69    HA   ASP  10           HA       ASP  10  -8.594  13.882  -7.194
   70    HB2  ASP  10           2HB      ASP  10  -8.515  16.290  -6.820
   71    HB3  ASP  10           3HB      ASP  10 -10.054  16.512  -7.654
   72    H    SER  11           H        SER  11 -10.375  12.647  -6.344
   73    HA   SER  11           HA       SER  11 -12.984  12.834  -7.611
   74    HB2  SER  11           2HB      SER  11 -13.057  10.365  -8.083
   75    HB3  SER  11           3HB      SER  11 -12.032  11.301  -9.172
   76    HG   SER  11           HG       SER  11 -11.161   9.270  -8.353
   77    H    TYR  12           H        TYR  12 -14.601  11.631  -6.416
   78    HA   TYR  12           HA       TYR  12 -14.117  11.650  -3.540
   79    HB2  TYR  12           2HB      TYR  12 -16.541  11.266  -3.427
   80    HB3  TYR  12           3HB      TYR  12 -16.171  12.595  -4.513
   81    HD1  TYR  12           2HD      TYR  12 -17.308   9.060  -4.314
   82    HD2  TYR  12           1HD      TYR  12 -16.610  12.421  -6.937
   83    HE1  TYR  12           2HE      TYR  12 -18.296   7.797  -6.180
   84    HE2  TYR  12           1HE      TYR  12 -17.633  11.171  -8.808
   85    HH   TYR  12           HH       TYR  12 -18.907   7.825  -8.438
   86    H    ALA  13           H        ALA  13 -14.266   9.249  -6.092
   87    HA   ALA  13           HA       ALA  13 -15.375   7.102  -4.742
   88    HB1  ALA  13           3HB      ALA  13 -14.472   5.727  -6.557
   89    HB2  ALA  13           1HB      ALA  13 -15.141   7.246  -7.177
   90    HB3  ALA  13           2HB      ALA  13 -13.377   7.037  -7.038
   91    HA   PRO  14           HA       PRO  14 -10.808   5.548  -3.713
   92    HB2  PRO  14           2HB      PRO  14  -9.952   8.196  -2.522
   93    HB3  PRO  14           3HB      PRO  14  -8.930   6.881  -3.188
   94    HG2  PRO  14           2HG      PRO  14  -9.474   9.063  -4.692
   95    HG3  PRO  14           3HG      PRO  14  -9.575   7.428  -5.433
   96    HD2  PRO  14           2HD      PRO  14 -11.810   9.174  -4.400
   97    HD3  PRO  14           3HD      PRO  14 -11.750   8.220  -5.908
   98    H    ARG  15           H        ARG  15 -10.471   4.574  -1.685
   99    HA   ARG  15           HA       ARG  15 -11.696   5.664   0.749
  100    HB2  ARG  15           2HB      ARG  15 -13.493   4.358  -0.614
  101    HB3  ARG  15           3HB      ARG  15 -12.499   2.928  -0.349
  102    HG2  ARG  15           2HG      ARG  15 -12.761   3.517   2.220
  103    HG3  ARG  15           3HG      ARG  15 -14.016   4.620   1.669
  104    HD2  ARG  15           2HD      ARG  15 -15.084   2.577   2.291
  105    HD3  ARG  15           3HD      ARG  15 -15.120   2.653   0.522
  106    HE   ARG  15           HE       ARG  15 -12.811   1.226   1.645
  107   HH11  ARG  15          1HH2      ARG  15 -16.209   0.869   0.671
  108   HH12  ARG  15          2HH2      ARG  15 -16.116  -0.830   0.404
  109   HH21  ARG  15          1HH1      ARG  15 -12.672  -1.091   1.250
  110   HH22  ARG  15          2HH1      ARG  15 -14.081  -1.947   0.756
  111    H    ALA  16           H        ALA  16 -10.848   4.528   2.618
  112    HA   ALA  16           HA       ALA  16  -8.327   3.130   2.275
  113    HB1  ALA  16           3HB      ALA  16  -8.805   4.506   4.291
  114    HB2  ALA  16           1HB      ALA  16 -10.151   3.419   4.712
  115    HB3  ALA  16           2HB      ALA  16  -8.482   2.818   4.728
  116    H    GLU  17           H        GLU  17  -8.027   0.895   3.040
  117    HA   GLU  17           HA       GLU  17  -8.316  -1.272   2.651
  118    HB2  GLU  17           2HB      GLU  17 -10.875  -0.746   4.199
  119    HB3  GLU  17           3HB      GLU  17 -10.242  -2.352   3.818
  120    HG2  GLU  17           2HG      GLU  17  -8.034  -1.603   4.906
  121    HG3  GLU  17           3HG      GLU  17  -8.929  -0.220   5.540
  122    H    ALA  18           H        ALA  18  -8.695   0.036   0.371
  123    HA   ALA  18           HA       ALA  18 -11.065  -1.048  -1.049
  124    HB1  ALA  18           3HB      ALA  18 -10.113   1.119  -1.795
  125    HB2  ALA  18           1HB      ALA  18  -8.526   0.349  -2.039
  126    HB3  ALA  18           2HB      ALA  18  -9.909  -0.123  -3.047
  127    H    GLU  19           H        GLU  19 -10.817  -2.959  -2.452
  128    HA   GLU  19           HA       GLU  19  -8.256  -4.421  -2.232
  129    HB2  GLU  19           2HB      GLU  19  -9.693  -5.013  -0.268
  130    HB3  GLU  19           3HB      GLU  19 -10.955  -5.551  -1.380
  131    HG2  GLU  19           2HG      GLU  19  -9.374  -7.268  -2.292
  132    HG3  GLU  19           3HG      GLU  19  -8.147  -6.720  -1.145
  133    H    LYS  20           H        LYS  20  -7.820  -5.704  -4.013
  134    HA   LYS  20           HA       LYS  20  -9.848  -6.301  -6.028
  135    HB2  LYS  20           2HB      LYS  20  -9.478  -3.923  -6.449
  136    HB3  LYS  20           3HB      LYS  20  -7.743  -4.126  -6.379
  137    HG2  LYS  20           2HG      LYS  20  -8.470  -3.746  -8.643
  138    HG3  LYS  20           3HG      LYS  20  -7.761  -5.337  -8.495
  139    HD2  LYS  20           2HD      LYS  20 -10.149  -6.293  -8.389
  140    HD3  LYS  20           3HD      LYS  20 -10.729  -4.648  -8.643
  141    HE2  LYS  20           2HE      LYS  20 -10.759  -5.721 -10.773
  142    HE3  LYS  20           3HE      LYS  20  -9.427  -4.562 -10.796
  143    HZ1  LYS  20           3HZ      LYS  20  -7.908  -6.458 -10.365
  144    HZ2  LYS  20           1HZ      LYS  20  -9.159  -7.496 -10.387
  145    HZ3  LYS  20           2HZ      LYS  20  -8.765  -6.674 -11.748
  146    H    THR  21           H        THR  21  -8.933  -7.663  -7.750
  147    HA   THR  21           HA       THR  21  -6.669  -9.308  -6.992
  148    HB   THR  21           HB       THR  21  -7.381 -10.331  -9.289
  149    HG1  THR  21           1HG      THR  21  -9.523  -9.774  -9.851
  150   HG21  THR  21          3HG2      THR  21  -9.350 -10.261  -6.954
  151   HG22  THR  21          1HG2      THR  21  -9.305 -11.483  -8.247
  152   HG23  THR  21          2HG2      THR  21  -7.948 -11.342  -7.120
  153    H    PHE  22           H        PHE  22  -4.664  -9.421  -8.105
  154    HA   PHE  22           HA       PHE  22  -4.159  -7.548 -10.332
  155    HB2  PHE  22           2HB      PHE  22  -2.570  -7.563  -7.729
  156    HB3  PHE  22           3HB      PHE  22  -2.111  -6.706  -9.190
  157    HD1  PHE  22           1HD      PHE  22  -3.621  -4.844 -10.083
  158    HD2  PHE  22           2HD      PHE  22  -4.135  -6.582  -6.178
  159    HE1  PHE  22           1HE      PHE  22  -4.913  -2.855  -9.369
  160    HE2  PHE  22           2HE      PHE  22  -5.408  -4.585  -5.453
  161    HZ   PHE  22           HZ       PHE  22  -5.786  -2.708  -7.038
  162    H    SER  23           H        SER  23  -2.064  -7.963 -11.325
  163    HA   SER  23           HA       SER  23  -0.637 -10.448 -10.843
  164    HB2  SER  23           2HB      SER  23  -2.073  -9.908 -13.487
  165    HB3  SER  23           3HB      SER  23  -0.974 -11.254 -13.153
  166    HG   SER  23           HG       SER  23  -3.196 -11.831 -13.018
  167    H    TYR  24           H        TYR  24   1.185 -10.467 -12.726
  168    HA   TYR  24           HA       TYR  24   1.825  -7.726 -13.632
  169    HB2  TYR  24           2HB      TYR  24   3.693  -9.788 -12.427
  170    HB3  TYR  24           3HB      TYR  24   4.268  -8.454 -13.392
  171    HD1  TYR  24           2HD      TYR  24   2.189  -6.375 -11.973
  172    HD2  TYR  24           1HD      TYR  24   5.189  -9.192 -10.661
  173    HE1  TYR  24           2HE      TYR  24   2.638  -4.977  -9.996
  174    HE2  TYR  24           1HE      TYR  24   5.652  -7.788  -8.691
  175    HH   TYR  24           HH       TYR  24   5.173  -5.796  -7.583
  176    HA   PRO  25           HA       PRO  25   3.849  -7.101 -15.178
  177    HB2  PRO  25           2HB      PRO  25   3.050  -6.864 -18.063
  178    HB3  PRO  25           3HB      PRO  25   4.602  -6.443 -17.281
  179    HG2  PRO  25           2HG      PRO  25   4.371  -8.690 -18.793
  180    HG3  PRO  25           3HG      PRO  25   5.297  -8.720 -17.255
  181    HD2  PRO  25           2HD      PRO  25   2.442  -9.621 -17.742
  182    HD3  PRO  25           3HD      PRO  25   3.752 -10.459 -16.857
  183    H    LEU  26           H        LEU  26   2.849  -5.059 -14.889
  184    HA   LEU  26           HA       LEU  26   0.283  -4.370 -15.975
  185    HB2  LEU  26           2HB      LEU  26  -0.361  -5.921 -14.098
  186    HB3  LEU  26           3HB      LEU  26   0.535  -4.901 -12.973
  187    HG   LEU  26           HG       LEU  26  -1.061  -3.061 -13.349
  188   HD11  LEU  26          1HD1      LEU  26  -1.748  -3.462 -15.691
  189   HD12  LEU  26          2HD1      LEU  26  -2.498  -4.999 -15.219
  190   HD13  LEU  26          3HD1      LEU  26  -3.156  -3.457 -14.632
  191   HD21  LEU  26          3HD2      LEU  26  -2.462  -5.696 -12.760
  192   HD22  LEU  26          1HD2      LEU  26  -1.496  -4.763 -11.601
  193   HD23  LEU  26          2HD2      LEU  26  -2.991  -4.072 -12.262
  194    H    ASP  27           H        ASP  27  -0.164  -2.048 -15.387
  195    HA   ASP  27           HA       ASP  27   2.261  -0.536 -15.152
  196    HB2  ASP  27           2HB      ASP  27   0.209   0.146 -16.432
  197    HB3  ASP  27           3HB      ASP  27  -0.595   0.468 -14.889
  198    H    LEU  28           H        LEU  28   0.021  -1.737 -12.771
  199    HA   LEU  28           HA       LEU  28   0.621   0.014 -10.575
  200    HB2  LEU  28           2HB      LEU  28  -1.259  -1.514 -10.418
  201    HB3  LEU  28           3HB      LEU  28  -0.212  -2.904 -10.734
  202    HG   LEU  28           HG       LEU  28   0.937  -2.597  -8.574
  203   HD11  LEU  28          1HD1      LEU  28   0.758  -0.186  -8.207
  204   HD12  LEU  28          2HD1      LEU  28  -1.009  -0.288  -8.160
  205   HD13  LEU  28          3HD1      LEU  28  -0.027  -1.027  -6.876
  206   HD21  LEU  28          3HD2      LEU  28  -1.067  -4.030  -8.728
  207   HD22  LEU  28          1HD2      LEU  28  -0.896  -3.295  -7.130
  208   HD23  LEU  28          2HD2      LEU  28  -2.086  -2.646  -8.276
  209    H    LEU  29           H        LEU  29   2.508   0.199  -9.475
  210    HA   LEU  29           HA       LEU  29   4.368  -2.091  -9.285
  211    HB2  LEU  29           2HB      LEU  29   5.139   0.728 -10.149
  212    HB3  LEU  29           3HB      LEU  29   6.297  -0.450  -9.555
  213    HG   LEU  29           HG       LEU  29   4.604  -0.848 -12.062
  214   HD11  LEU  29          1HD1      LEU  29   6.697  -0.403 -13.289
  215   HD12  LEU  29          2HD1      LEU  29   6.180   1.001 -12.352
  216   HD13  LEU  29          3HD1      LEU  29   7.517  -0.010 -11.761
  217   HD21  LEU  29          3HD2      LEU  29   5.305  -2.999 -11.072
  218   HD22  LEU  29          1HD2      LEU  29   6.219  -2.677 -12.543
  219   HD23  LEU  29          2HD2      LEU  29   6.982  -2.421 -10.958
  220    H    LEU  30           H        LEU  30   5.805  -1.811  -7.439
  221    HA   LEU  30           HA       LEU  30   4.632  -0.107  -5.287
  222    HB2  LEU  30           2HB      LEU  30   5.496  -3.034  -5.258
  223    HB3  LEU  30           3HB      LEU  30   5.355  -2.072  -3.813
  224    HG   LEU  30           HG       LEU  30   3.471  -3.461  -3.959
  225   HD11  LEU  30          1HD1      LEU  30   1.670  -1.924  -3.702
  226   HD12  LEU  30          2HD1      LEU  30   3.133  -1.128  -3.095
  227   HD13  LEU  30          3HD1      LEU  30   2.476  -0.694  -4.688
  228   HD21  LEU  30          3HD2      LEU  30   1.827  -3.521  -5.684
  229   HD22  LEU  30          1HD2      LEU  30   2.591  -2.202  -6.579
  230   HD23  LEU  30          2HD2      LEU  30   3.400  -3.778  -6.446
  231    H    LYS  31           H        LYS  31   6.163   0.554  -3.677
  232    HA   LYS  31           HA       LYS  31   8.996  -0.147  -4.036
  233    HB2  LYS  31           2HB      LYS  31   9.775   2.169  -4.010
  234    HB3  LYS  31           3HB      LYS  31   8.794   1.838  -5.415
  235    HG2  LYS  31           2HG      LYS  31   8.112   3.940  -4.831
  236    HG3  LYS  31           3HG      LYS  31   6.827   2.964  -4.128
  237    HD2  LYS  31           2HD      LYS  31   7.761   3.247  -1.892
  238    HD3  LYS  31           3HD      LYS  31   9.214   4.021  -2.532
  239    HE2  LYS  31           2HE      LYS  31   6.378   5.119  -2.840
  240    HE3  LYS  31           3HE      LYS  31   7.470   5.565  -1.525
  241    HZ1  LYS  31           3HZ      LYS  31   7.559   7.184  -3.299
  242    HZ2  LYS  31           1HZ      LYS  31   9.011   6.462  -3.171
  243    HZ3  LYS  31           2HZ      LYS  31   8.003   6.070  -4.399
  244    H    LEU  32           H        LEU  32  10.266   0.701  -2.091
  245    HA   LEU  32           HA       LEU  32   8.576   0.486   0.368
  246    HB2  LEU  32           2HB      LEU  32  10.063  -1.400   0.120
  247    HB3  LEU  32           3HB      LEU  32  11.423  -0.357  -0.293
  248    HG   LEU  32           HG       LEU  32  11.509   0.521   1.996
  249   HD11  LEU  32          1HD1      LEU  32   9.192   0.403   2.729
  250   HD12  LEU  32          2HD1      LEU  32   9.173  -1.362   2.520
  251   HD13  LEU  32          3HD1      LEU  32  10.165  -0.613   3.789
  252   HD21  LEU  32          3HD2      LEU  32  12.750  -1.560   1.366
  253   HD22  LEU  32          1HD2      LEU  32  12.338  -1.471   3.080
  254   HD23  LEU  32          2HD2      LEU  32  11.402  -2.530   2.001
  255    H    HIS  33           H        HIS  33   8.492   2.318   1.606
  256    HA   HIS  33           HA       HIS  33  10.810   4.111   1.783
  257    HB2  HIS  33           2HB      HIS  33   9.533   5.044  -0.119
  258    HB3  HIS  33           3HB      HIS  33   8.052   5.027   0.843
  259    HD1  HIS  33           1HD      HIS  33   7.706   7.106   2.491
  260    HD2  HIS  33           2HD      HIS  33  11.471   6.868   0.615
  261    HE1  HIS  33           1HE      HIS  33   8.897   9.296   2.999
  262    H    ASP  34           H        ASP  34  10.859   5.052   3.829
  263    HA   ASP  34           HA       ASP  34  10.532   5.092   6.058
  264    HB2  ASP  34           2HB      ASP  34   9.213   6.982   5.210
  265    HB3  ASP  34           3HB      ASP  34   7.765   5.971   5.186
  266    H    GLU  35           H        GLU  35  10.463   2.529   5.286
  267    HA   GLU  35           HA       GLU  35   9.931   0.434   5.850
  268    HB2  GLU  35           2HB      GLU  35   8.843   1.626   8.425
  269    HB3  GLU  35           3HB      GLU  35   9.331  -0.041   8.167
  270    HG2  GLU  35           2HG      GLU  35  11.136   2.404   8.164
  271    HG3  GLU  35           3HG      GLU  35  11.058   1.135   9.379
  272    H    ARG  36           H        ARG  36   7.780   2.007   4.375
  273    HA   ARG  36           HA       ARG  36   5.684  -0.076   4.767
  274    HB2  ARG  36           2HB      ARG  36   5.262   2.874   4.097
  275    HB3  ARG  36           3HB      ARG  36   4.004   1.642   4.080
  276    HG2  ARG  36           2HG      ARG  36   5.552   2.554   6.548
  277    HG3  ARG  36           3HG      ARG  36   3.919   3.048   6.107
  278    HD2  ARG  36           2HD      ARG  36   3.111   0.742   6.322
  279    HD3  ARG  36           3HD      ARG  36   4.738   0.168   6.681
  280    HE   ARG  36           HE       ARG  36   2.932   1.682   8.435
  281   HH11  ARG  36          1HH2      ARG  36   6.222   0.324   8.049
  282   HH12  ARG  36          2HH2      ARG  36   6.545   0.344   9.747
  283   HH21  ARG  36          1HH1      ARG  36   3.419   1.726  10.671
  284   HH22  ARG  36          2HH1      ARG  36   4.941   1.175  11.252
  285    H    VAL  37           H        VAL  37   5.005  -1.042   2.876
  286    HA   VAL  37           HA       VAL  37   6.387  -0.170   0.413
  287    HB   VAL  37           HB       VAL  37   4.754  -2.634   1.077
  288   HG11  VAL  37          1HG1      VAL  37   5.351  -3.363  -1.270
  289   HG12  VAL  37          2HG1      VAL  37   4.167  -2.056  -1.218
  290   HG13  VAL  37          3HG1      VAL  37   5.865  -1.699  -1.606
  291   HG21  VAL  37          3HG2      VAL  37   7.642  -2.171   0.154
  292   HG22  VAL  37          1HG2      VAL  37   7.156  -2.525   1.818
  293   HG23  VAL  37          2HG2      VAL  37   6.923  -3.737   0.553
  294    H    LEU  38           H        LEU  38   5.451   1.039  -1.077
  295    HA   LEU  38           HA       LEU  38   2.611   1.848  -0.728
  296    HB2  LEU  38           2HB      LEU  38   4.940   3.646  -1.496
  297    HB3  LEU  38           3HB      LEU  38   3.264   4.135  -1.295
  298    HG   LEU  38           HG       LEU  38   5.170   3.266   0.902
  299   HD11  LEU  38          1HD1      LEU  38   5.025   5.599   1.630
  300   HD12  LEU  38          2HD1      LEU  38   5.600   5.514  -0.039
  301   HD13  LEU  38          3HD1      LEU  38   3.915   5.972   0.292
  302   HD21  LEU  38          3HD2      LEU  38   3.378   4.048   2.477
  303   HD22  LEU  38          1HD2      LEU  38   2.256   4.116   1.098
  304   HD23  LEU  38          2HD2      LEU  38   2.984   2.569   1.608
  305    H    VAL  39           H        VAL  39   1.617   2.606  -2.658
  306    HA   VAL  39           HA       VAL  39   2.298   1.359  -5.152
  307    HB   VAL  39           HB       VAL  39   0.507   3.746  -4.535
  308   HG11  VAL  39          1HG1      VAL  39  -0.634   3.179  -6.641
  309   HG12  VAL  39          2HG1      VAL  39   1.058   3.546  -6.973
  310   HG13  VAL  39          3HG1      VAL  39   0.515   1.862  -6.943
  311   HG21  VAL  39          3HG2      VAL  39  -1.345   2.199  -4.469
  312   HG22  VAL  39          1HG2      VAL  39  -0.282   0.824  -4.849
  313   HG23  VAL  39          2HG2      VAL  39  -0.165   1.664  -3.290
  314    H    ALA  40           H        ALA  40   3.949   1.872  -6.422
  315    HA   ALA  40           HA       ALA  40   5.351   4.458  -6.213
  316    HB1  ALA  40           3HB      ALA  40   6.985   3.392  -7.692
  317    HB2  ALA  40           1HB      ALA  40   6.598   2.271  -6.372
  318    HB3  ALA  40           2HB      ALA  40   5.900   2.019  -7.978
  319    H    PHE  41           H        PHE  41   3.411   2.543  -8.497
  320    HA   PHE  41           HA       PHE  41   2.724   4.874 -10.133
  321    HB2  PHE  41           2HB      PHE  41   4.105   2.412 -11.300
  322    HB3  PHE  41           3HB      PHE  41   3.319   3.662 -12.236
  323    HD1  PHE  41           1HD      PHE  41   4.244   6.011 -12.285
  324    HD2  PHE  41           2HD      PHE  41   6.393   2.718 -10.503
  325    HE1  PHE  41           1HE      PHE  41   6.352   7.315 -12.402
  326    HE2  PHE  41           2HE      PHE  41   8.494   4.026 -10.622
  327    HZ   PHE  41           HZ       PHE  41   8.480   6.328 -11.570
  328    H    GLY  42           H        GLY  42   0.933   4.205 -11.651
  329    HA2  GLY  42           2HA      GLY  42  -0.460   2.147 -12.199
  330    HA3  GLY  42           3HA      GLY  42  -0.721   2.028 -10.452
  331    H    GLN  43           H        GLN  43  -0.690   5.256 -10.697
  332    HA   GLN  43           HA       GLN  43  -3.402   5.397 -10.197
  333    HB2  GLN  43           2HB      GLN  43  -3.167   7.795 -10.098
  334    HB3  GLN  43           3HB      GLN  43  -1.819   6.957  -9.343
  335    HG2  GLN  43           2HG      GLN  43  -0.414   7.447 -11.381
  336    HG3  GLN  43           3HG      GLN  43  -1.772   8.370 -12.035
  337   HE21  GLN  43          2HE2      GLN  43  -0.520  10.408 -11.986
  338   HE22  GLN  43          1HE2      GLN  43  -0.226  11.194 -10.449
  339    H    ARG  44           H        ARG  44  -1.858   5.941 -13.347
  340    HA   ARG  44           HA       ARG  44  -4.231   6.934 -14.617
  341    HB2  ARG  44           2HB      ARG  44  -3.066   6.430 -16.734
  342    HB3  ARG  44           3HB      ARG  44  -2.082   7.352 -15.598
  343    HG2  ARG  44           2HG      ARG  44  -0.891   5.248 -14.948
  344    HG3  ARG  44           3HG      ARG  44  -1.834   4.358 -16.162
  345    HD2  ARG  44           2HD      ARG  44  -0.867   5.709 -17.951
  346    HD3  ARG  44           3HD      ARG  44  -0.033   6.739 -16.763
  347    HE   ARG  44           HE       ARG  44   0.713   4.067 -16.253
  348   HH11  ARG  44          1HH2      ARG  44   1.229   6.554 -18.758
  349   HH12  ARG  44          2HH2      ARG  44   2.758   5.935 -19.256
  350   HH21  ARG  44          1HH1      ARG  44   2.680   3.212 -16.951
  351   HH22  ARG  44          2HH1      ARG  44   3.631   3.989 -18.189
  352    H    ASP  45           H        ASP  45  -3.185   3.631 -13.830
  353    HA   ASP  45           HA       ASP  45  -5.306   2.399 -15.457
  354    HB2  ASP  45           2HB      ASP  45  -3.282   1.111 -15.011
  355    HB3  ASP  45           3HB      ASP  45  -3.513   1.279 -13.269
  356    H    GLY  46           H        GLY  46  -4.693   3.385 -12.084
  357    HA2  GLY  46           2HA      GLY  46  -7.031   4.482 -11.464
  358    HA3  GLY  46           3HA      GLY  46  -7.446   2.779 -11.219
  359    H    ILE  47           H        ILE  47  -4.363   2.526 -10.335
  360    HA   ILE  47           HA       ILE  47  -5.186   2.675  -7.519
  361    HB   ILE  47           HB       ILE  47  -2.652   1.465  -8.667
  362   HG12  ILE  47          2HG1      ILE  47  -4.423   0.318  -9.816
  363   HG13  ILE  47          3HG1      ILE  47  -3.784  -0.729  -8.569
  364   HG21  ILE  47          1HG2      ILE  47  -2.602   1.844  -6.263
  365   HG22  ILE  47          2HG2      ILE  47  -4.161   1.039  -6.042
  366   HG23  ILE  47          3HG2      ILE  47  -2.745   0.109  -6.568
  367   HD11  ILE  47          3HD1      ILE  47  -6.235  -0.886  -8.710
  368   HD12  ILE  47          1HD1      ILE  47  -5.755  -0.250  -7.128
  369   HD13  ILE  47          2HD1      ILE  47  -6.403   0.838  -8.376
  370    H    ARG  48           H        ARG  48  -5.016   4.729  -6.784
  371    HA   ARG  48           HA       ARG  48  -3.235   6.682  -7.709
  372    HB2  ARG  48           2HB      ARG  48  -4.860   6.404  -5.169
  373    HB3  ARG  48           3HB      ARG  48  -3.838   7.818  -5.455
  374    HG2  ARG  48           2HG      ARG  48  -5.052   8.268  -7.581
  375    HG3  ARG  48           3HG      ARG  48  -6.102   6.874  -7.277
  376    HD2  ARG  48           2HD      ARG  48  -6.935   7.901  -5.213
  377    HD3  ARG  48           3HD      ARG  48  -5.838   9.266  -5.394
  378    HE   ARG  48           HE       ARG  48  -8.341   8.760  -6.831
  379   HH11  ARG  48          1HH1      ARG  48  -5.345  10.734  -6.840
  380   HH12  ARG  48          2HH1      ARG  48  -6.084  11.981  -7.816
  381   HH21  ARG  48          1HH2      ARG  48  -9.261  10.546  -7.988
  382   HH22  ARG  48          2HH2      ARG  48  -8.187  11.811  -8.538
  383    H    VAL  49           H        VAL  49  -1.162   7.200  -7.335
  384    HA   VAL  49           HA       VAL  49   0.677   5.563  -6.002
  385    HB   VAL  49           HB       VAL  49   0.743   8.458  -6.927
  386   HG11  VAL  49          1HG1      VAL  49   3.145   6.765  -6.124
  387   HG12  VAL  49          2HG1      VAL  49   3.198   8.337  -6.936
  388   HG13  VAL  49          3HG1      VAL  49   2.569   8.233  -5.295
  389   HG21  VAL  49          3HG2      VAL  49   2.012   7.493  -8.836
  390   HG22  VAL  49          1HG2      VAL  49   1.842   5.872  -8.126
  391   HG23  VAL  49          2HG2      VAL  49   0.420   6.748  -8.712
  392    H    GLY  50           H        GLY  50   1.865   5.813  -4.062
  393    HA2  GLY  50           2HA      GLY  50   2.426   6.654  -2.013
  394    HA3  GLY  50           3HA      GLY  50   1.221   7.933  -2.192
  395    H    HIS  51           H        HIS  51  -0.579   5.216  -2.723
  396    HA   HIS  51           HA       HIS  51  -1.580   5.037   0.034
  397    HB2  HIS  51           2HB      HIS  51  -2.261   3.557  -2.542
  398    HB3  HIS  51           3HB      HIS  51  -2.954   3.144  -0.973
  399    HD1  HIS  51           1HD      HIS  51  -2.962   6.064  -3.478
  400    HD2  HIS  51           2HD      HIS  51  -4.856   4.699   0.014
  401    HE1  HIS  51           1HE      HIS  51  -4.880   7.701  -3.007
  402    H    ALA  52           H        ALA  52  -1.459   3.051   1.259
  403    HA   ALA  52           HA       ALA  52   1.138   1.656   0.874
  404    HB1  ALA  52           3HB      ALA  52  -0.646   1.959   3.336
  405    HB2  ALA  52           1HB      ALA  52   0.939   1.157   3.280
  406    HB3  ALA  52           2HB      ALA  52   0.823   2.906   3.009
  407    H    VAL  53           H        VAL  53   1.219  -0.585   1.015
  408    HA   VAL  53           HA       VAL  53  -1.190  -2.083   0.299
  409    HB   VAL  53           HB       VAL  53   1.568  -3.017   1.234
  410   HG11  VAL  53          1HG1      VAL  53  -0.699  -4.560  -0.090
  411   HG12  VAL  53          2HG1      VAL  53   0.933  -5.186   0.232
  412   HG13  VAL  53          3HG1      VAL  53  -0.133  -4.775   1.574
  413   HG21  VAL  53          3HG2      VAL  53   0.428  -2.855  -1.586
  414   HG22  VAL  53          1HG2      VAL  53   1.680  -1.778  -0.926
  415   HG23  VAL  53          2HG2      VAL  53   2.016  -3.501  -1.133
  416    H    LEU  54           H        LEU  54  -2.509  -3.140   1.746
  417    HA   LEU  54           HA       LEU  54  -1.981  -2.805   4.668
  418    HB2  LEU  54           2HB      LEU  54  -4.344  -2.181   2.982
  419    HB3  LEU  54           3HB      LEU  54  -4.729  -3.195   4.350
  420    HG   LEU  54           HG       LEU  54  -5.033  -0.783   4.770
  421   HD11  LEU  54          1HD1      LEU  54  -2.921  -2.056   6.564
  422   HD12  LEU  54          2HD1      LEU  54  -4.025  -0.735   6.994
  423   HD13  LEU  54          3HD1      LEU  54  -4.671  -2.344   6.641
  424   HD21  LEU  54          3HD2      LEU  54  -2.000  -0.510   4.787
  425   HD22  LEU  54          1HD2      LEU  54  -3.043   0.048   3.471
  426   HD23  LEU  54          2HD2      LEU  54  -3.206   0.750   5.088
  427    H    ALA  55           H        ALA  55  -3.211  -5.008   2.068
  428    HA   ALA  55           HA       ALA  55  -2.098  -7.174   3.666
  429    HB1  ALA  55           3HB      ALA  55  -5.036  -7.375   2.859
  430    HB2  ALA  55           1HB      ALA  55  -4.073  -8.592   3.710
  431    HB3  ALA  55           2HB      ALA  55  -4.475  -7.072   4.519
  432    H    ILE  56           H        ILE  56  -1.918  -9.178   2.404
  433    HA   ILE  56           HA       ILE  56  -2.622  -9.005  -0.472
  434    HB   ILE  56           HB       ILE  56   0.106  -9.916   0.549
  435   HG12  ILE  56          2HG1      ILE  56  -0.565  -7.669  -1.396
  436   HG13  ILE  56          3HG1      ILE  56  -0.190  -7.409   0.309
  437   HG21  ILE  56          1HG2      ILE  56  -1.203 -10.022  -2.218
  438   HG22  ILE  56          2HG2      ILE  56   0.515 -10.352  -1.929
  439   HG23  ILE  56          3HG2      ILE  56  -0.698 -11.399  -1.224
  440   HD11  ILE  56          3HD1      ILE  56   1.738  -8.614  -1.716
  441   HD12  ILE  56          1HD1      ILE  56   1.734  -6.971  -1.076
  442   HD13  ILE  56          2HD1      ILE  56   2.046  -8.347   0.013
  443    H    ASN  57           H        ASN  57  -3.582 -10.889  -1.064
  444    HA   ASN  57           HA       ASN  57  -4.730 -12.820  -0.823
  445    HB2  ASN  57           2HB      ASN  57  -1.976 -13.781   0.029
  446    HB3  ASN  57           3HB      ASN  57  -3.286 -14.825  -0.518
  447   HD21  ASN  57          2HD2      ASN  57  -0.548 -14.340  -1.760
  448   HD22  ASN  57          1HD2      ASN  57  -0.932 -13.855  -3.386
  449    H    GLY  58           H        GLY  58  -4.946 -11.126   1.496
  450    HA2  GLY  58           2HA      GLY  58  -6.339 -11.348   3.347
  451    HA3  GLY  58           3HA      GLY  58  -6.042 -13.088   3.391
  452    H    MET  59           H        MET  59  -2.953 -12.053   3.173
  453    HA   MET  59           HA       MET  59  -2.494 -12.072   6.081
  454    HB2  MET  59           2HB      MET  59  -0.588 -11.902   3.700
  455    HB3  MET  59           3HB      MET  59  -0.113 -11.870   5.394
  456    HG2  MET  59           2HG      MET  59  -1.190 -14.113   5.703
  457    HG3  MET  59           3HG      MET  59  -1.495 -14.160   3.960
  458    HE1  MET  59           3HE      MET  59   0.070 -16.432   5.602
  459    HE2  MET  59           1HE      MET  59  -0.260 -16.504   3.855
  460    HE3  MET  59           2HE      MET  59   1.385 -16.791   4.462
  461    H    ASP  60           H        ASP  60  -2.976 -10.180   7.041
  462    HA   ASP  60           HA       ASP  60  -2.747  -7.520   6.023
  463    HB2  ASP  60           2HB      ASP  60  -3.992  -8.021   8.046
  464    HB3  ASP  60           3HB      ASP  60  -2.563  -8.698   8.823
  465    H    VAL  61           H        VAL  61  -0.874  -6.327   5.567
  466    HA   VAL  61           HA       VAL  61   1.636  -7.815   5.918
  467    HB   VAL  61           HB       VAL  61   2.688  -6.120   4.538
  468   HG11  VAL  61          1HG1      VAL  61   0.122  -7.224   3.311
  469   HG12  VAL  61          2HG1      VAL  61   1.571  -6.702   2.433
  470   HG13  VAL  61          3HG1      VAL  61   1.647  -8.103   3.506
  471   HG21  VAL  61          3HG2      VAL  61   1.341  -4.114   5.080
  472   HG22  VAL  61          1HG2      VAL  61   1.477  -4.407   3.352
  473   HG23  VAL  61          2HG2      VAL  61  -0.028  -4.814   4.198
  474    H    ASN  62           H        ASN  62   3.244  -7.352   7.231
  475    HA   ASN  62           HA       ASN  62   2.946  -5.368   9.399
  476    HB2  ASN  62           2HB      ASN  62   3.756  -7.612  10.006
  477    HB3  ASN  62           3HB      ASN  62   5.037  -7.500   8.794
  478   HD21  ASN  62          2HD2      ASN  62   6.614  -7.847  10.543
  479   HD22  ASN  62          1HD2      ASN  62   7.041  -6.529  11.600
  480    H    GLY  63           H        GLY  63   2.846  -3.778   7.599
  481    HA2  GLY  63           2HA      GLY  63   3.649  -1.881   6.704
  482    HA3  GLY  63           3HA      GLY  63   5.185  -2.199   7.519
  483    H    ARG  64           H        ARG  64   6.328  -4.189   6.376
  484    HA   ARG  64           HA       ARG  64   6.406  -3.840   3.431
  485    HB2  ARG  64           2HB      ARG  64   8.868  -3.690   3.539
  486    HB3  ARG  64           3HB      ARG  64   8.093  -2.350   4.399
  487    HG2  ARG  64           2HG      ARG  64   8.487  -3.471   6.564
  488    HG3  ARG  64           3HG      ARG  64   9.227  -4.844   5.739
  489    HD2  ARG  64           2HD      ARG  64  10.290  -2.006   5.548
  490    HD3  ARG  64           3HD      ARG  64  10.779  -3.153   6.802
  491    HE   ARG  64           HE       ARG  64  11.111  -4.339   4.220
  492   HH11  ARG  64          1HH1      ARG  64  12.608  -1.919   6.377
  493   HH12  ARG  64          2HH1      ARG  64  14.224  -2.298   5.870
  494   HH21  ARG  64          1HH2      ARG  64  13.215  -4.768   3.506
  495   HH22  ARG  64          2HH2      ARG  64  14.581  -3.934   4.189
  496    H    TYR  65           H        TYR  65   6.109  -6.000   6.026
  497    HA   TYR  65           HA       TYR  65   7.146  -8.226   4.341
  498    HB2  TYR  65           2HB      TYR  65   6.887  -8.259   7.354
  499    HB3  TYR  65           3HB      TYR  65   7.696  -9.428   6.327
  500    HD1  TYR  65           2HD      TYR  65   9.717  -8.368   4.844
  501    HD2  TYR  65           1HD      TYR  65   8.215  -6.731   8.538
  502    HE1  TYR  65           2HE      TYR  65  11.834  -7.117   5.137
  503    HE2  TYR  65           1HE      TYR  65  10.375  -5.579   8.906
  504    HH   TYR  65           HH       TYR  65  13.131  -5.861   6.620
  505    H    THR  66           H        THR  66   5.734 -10.199   4.402
  506    HA   THR  66           HA       THR  66   2.914  -9.612   4.791
  507    HB   THR  66           HB       THR  66   2.623 -12.029   4.340
  508    HG1  THR  66           1HG      THR  66   4.417 -13.259   3.835
  509   HG21  THR  66          3HG2      THR  66   3.414 -12.022   2.024
  510   HG22  THR  66          1HG2      THR  66   2.773 -10.429   2.457
  511   HG23  THR  66          2HG2      THR  66   4.532 -10.685   2.370
  512    H    ALA  67           H        ALA  67   1.649 -11.322   6.147
  513    HA   ALA  67           HA       ALA  67   2.251 -11.154   8.917
  514    HB1  ALA  67           3HB      ALA  67  -0.003 -11.632   7.991
  515    HB2  ALA  67           1HB      ALA  67   0.600 -13.188   7.356
  516    HB3  ALA  67           2HB      ALA  67   0.509 -12.914   9.111
  517    H    ASP  68           H        ASP  68   2.991 -13.604   6.437
  518    HA   ASP  68           HA       ASP  68   4.207 -15.516   8.223
  519    HB2  ASP  68           2HB      ASP  68   3.304 -16.166   6.040
  520    HB3  ASP  68           3HB      ASP  68   4.485 -15.142   5.217
  521    H    GLY  69           H        GLY  69   5.449 -12.795   6.265
  522    HA2  GLY  69           2HA      GLY  69   7.245 -11.543   7.376
  523    HA3  GLY  69           3HA      GLY  69   8.108 -13.060   7.629
  524    H    LYS  70           H        LYS  70   6.589 -13.034   4.553
  525    HA   LYS  70           HA       LYS  70   9.091 -12.943   3.080
  526    HB2  LYS  70           2HB      LYS  70   6.215 -12.596   2.095
  527    HB3  LYS  70           3HB      LYS  70   7.609 -12.986   1.101
  528    HG2  LYS  70           2HG      LYS  70   6.510 -14.815   3.290
  529    HG3  LYS  70           3HG      LYS  70   6.040 -14.900   1.599
  530    HD2  LYS  70           2HD      LYS  70   8.330 -15.399   0.913
  531    HD3  LYS  70           3HD      LYS  70   8.897 -15.251   2.597
  532    HE2  LYS  70           2HE      LYS  70   7.382 -17.105   3.259
  533    HE3  LYS  70           3HE      LYS  70   6.835 -17.261   1.585
  534    HZ1  LYS  70           3HZ      LYS  70   9.108 -17.861   0.971
  535    HZ2  LYS  70           1HZ      LYS  70   9.610 -17.717   2.521
  536    HZ3  LYS  70           2HZ      LYS  70   8.545 -18.876   2.111
  537    H    GLU  71           H        GLU  71  10.032 -11.049   2.113
  538    HA   GLU  71           HA       GLU  71   8.927  -8.461   2.855
  539    HB2  GLU  71           2HB      GLU  71  11.343  -8.764   2.575
  540    HB3  GLU  71           3HB      GLU  71  11.125  -9.181   0.864
  541    HG2  GLU  71           2HG      GLU  71  10.331  -6.963   0.337
  542    HG3  GLU  71           3HG      GLU  71  10.106  -6.563   2.042
  543    H    VAL  72           H        VAL  72   7.437  -7.332   1.781
  544    HA   VAL  72           HA       VAL  72   5.724  -8.671   0.029
  545    HB   VAL  72           HB       VAL  72   6.056  -5.764   0.813
  546   HG11  VAL  72          1HG1      VAL  72   4.982  -5.581  -1.329
  547   HG12  VAL  72          2HG1      VAL  72   3.933  -6.951  -0.985
  548   HG13  VAL  72          3HG1      VAL  72   3.716  -5.412  -0.102
  549   HG21  VAL  72          3HG2      VAL  72   3.938  -7.840   1.516
  550   HG22  VAL  72          1HG2      VAL  72   5.310  -7.405   2.544
  551   HG23  VAL  72          2HG2      VAL  72   4.075  -6.195   2.177
  552    H    LEU  73           H        LEU  73   8.366  -6.376  -0.824
  553    HA   LEU  73           HA       LEU  73   7.610  -6.194  -3.590
  554    HB2  LEU  73           2HB      LEU  73  10.354  -5.849  -2.302
  555    HB3  LEU  73           3HB      LEU  73   9.938  -5.406  -3.955
  556    HG   LEU  73           HG       LEU  73   8.789  -4.150  -1.429
  557   HD11  LEU  73          1HD1      LEU  73  10.032  -2.153  -2.172
  558   HD12  LEU  73          2HD1      LEU  73  11.121  -3.519  -1.893
  559   HD13  LEU  73          3HD1      LEU  73  10.683  -3.058  -3.553
  560   HD21  LEU  73          3HD2      LEU  73   7.064  -4.083  -3.161
  561   HD22  LEU  73          1HD2      LEU  73   7.768  -2.477  -2.967
  562   HD23  LEU  73          2HD2      LEU  73   8.240  -3.480  -4.355
  563    H    GLU  74           H        GLU  74   9.788  -8.433  -1.827
  564    HA   GLU  74           HA       GLU  74  10.701  -9.800  -4.194
  565    HB2  GLU  74           2HB      GLU  74  11.858  -9.737  -1.935
  566    HB3  GLU  74           3HB      GLU  74  10.582 -10.773  -1.303
  567    HG2  GLU  74           2HG      GLU  74  12.443 -12.168  -1.800
  568    HG3  GLU  74           3HG      GLU  74  11.219 -12.520  -3.008
  569    H    TYR  75           H        TYR  75   8.085 -10.331  -1.803
  570    HA   TYR  75           HA       TYR  75   7.147 -12.814  -2.728
  571    HB2  TYR  75           2HB      TYR  75   6.515 -11.721  -0.590
  572    HB3  TYR  75           3HB      TYR  75   5.600 -10.509  -1.468
  573    HD1  TYR  75           2HD      TYR  75   5.776 -14.115  -0.598
  574    HD2  TYR  75           1HD      TYR  75   3.367 -10.982  -2.328
  575    HE1  TYR  75           2HE      TYR  75   3.802 -15.585  -0.472
  576    HE2  TYR  75           1HE      TYR  75   1.389 -12.460  -2.261
  577    HH   TYR  75           HH       TYR  75   1.513 -15.792  -0.905
  578    H    LEU  76           H        LEU  76   6.034  -9.485  -3.635
  579    HA   LEU  76           HA       LEU  76   4.127 -10.450  -5.580
  580    HB2  LEU  76           2HB      LEU  76   5.472  -7.747  -5.152
  581    HB3  LEU  76           3HB      LEU  76   4.240  -8.029  -6.379
  582    HG   LEU  76           HG       LEU  76   3.767  -8.423  -3.388
  583   HD11  LEU  76          1HD1      LEU  76   2.966  -6.123  -5.222
  584   HD12  LEU  76          2HD1      LEU  76   2.499  -6.316  -3.517
  585   HD13  LEU  76          3HD1      LEU  76   4.197  -6.061  -3.942
  586   HD21  LEU  76          3HD2      LEU  76   1.363  -8.409  -4.063
  587   HD22  LEU  76          1HD2      LEU  76   1.859  -8.420  -5.768
  588   HD23  LEU  76          2HD2      LEU  76   2.235  -9.798  -4.708
  589    H    GLY  77           H        GLY  77   7.556  -9.526  -5.695
  590    HA2  GLY  77           2HA      GLY  77   7.820  -9.456  -8.527
  591    HA3  GLY  77           3HA      GLY  77   9.114  -9.644  -7.335
  592    H    ASN  78           H        ASN  78   7.547 -12.241  -6.385
  593    HA   ASN  78           HA       ASN  78   9.180 -14.028  -7.947
  594    HB2  ASN  78           2HB      ASN  78   8.768 -14.427  -5.574
  595    HB3  ASN  78           3HB      ASN  78   7.033 -14.557  -5.874
  596   HD21  ASN  78          2HD2      ASN  78   6.625 -16.728  -5.409
  597   HD22  ASN  78          1HD2      ASN  78   7.512 -18.068  -6.116
  598    HA   PRO  79           HA       PRO  79   5.967 -14.202 -11.065
  599    HB2  PRO  79           2HB      PRO  79   7.097 -15.799 -12.957
  600    HB3  PRO  79           3HB      PRO  79   7.578 -14.100 -12.641
  601    HG2  PRO  79           2HG      PRO  79   8.875 -16.631 -11.564
  602    HG3  PRO  79           3HG      PRO  79   9.674 -15.234 -12.358
  603    HD2  PRO  79           2HD      PRO  79   9.564 -15.448  -9.658
  604    HD3  PRO  79           3HD      PRO  79   9.367 -13.864 -10.459
  605    H    ALA  80           H        ALA  80   7.086 -17.085  -9.404
  606    HA   ALA  80           HA       ALA  80   5.106 -18.860 -10.451
  607    HB1  ALA  80           3HB      ALA  80   6.499 -18.940  -7.745
  608    HB2  ALA  80           1HB      ALA  80   5.681 -20.284  -8.558
  609    HB3  ALA  80           2HB      ALA  80   7.156 -19.603  -9.263
  610    H    ASN  81           H        ASN  81   4.668 -16.091  -8.415
  611    HA   ASN  81           HA       ASN  81   1.926 -17.018  -7.801
  612    HB2  ASN  81           2HB      ASN  81   1.995 -16.251  -5.533
  613    HB3  ASN  81           3HB      ASN  81   3.206 -17.499  -5.788
  614   HD21  ASN  81          2HD2      ASN  81   2.925 -13.885  -5.794
  615   HD22  ASN  81          1HD2      ASN  81   4.503 -13.614  -5.051
  616    H    TYR  82           H        TYR  82   2.991 -15.135  -9.850
  617    HA   TYR  82           HA       TYR  82   2.481 -12.459  -9.186
  618    HB2  TYR  82           2HB      TYR  82   2.127 -14.071 -11.718
  619    HB3  TYR  82           3HB      TYR  82   1.581 -12.409 -11.645
  620    HD1  TYR  82           1HD      TYR  82   4.479 -12.329  -9.592
  621    HD2  TYR  82           2HD      TYR  82   3.226 -12.773 -13.713
  622    HE1  TYR  82           1HE      TYR  82   6.591 -11.343 -10.354
  623    HE2  TYR  82           2HE      TYR  82   5.355 -11.800 -14.472
  624    HH   TYR  82           HH       TYR  82   7.418 -10.896 -13.822
  625    HA   PRO  83           HA       PRO  83  -2.159 -12.714  -9.913
  626    HB2  PRO  83           2HB      PRO  83  -3.555 -15.070  -9.622
  627    HB3  PRO  83           3HB      PRO  83  -2.928 -14.449 -11.179
  628    HG2  PRO  83           2HG      PRO  83  -1.671 -16.511  -9.351
  629    HG3  PRO  83           3HG      PRO  83  -1.864 -16.573 -11.131
  630    HD2  PRO  83           2HD      PRO  83   0.464 -15.833  -9.959
  631    HD3  PRO  83           3HD      PRO  83  -0.093 -15.049 -11.466
  632    H    VAL  84           H        VAL  84  -2.790 -11.714  -8.092
  633    HA   VAL  84           HA       VAL  84  -3.023 -13.147  -5.516
  634    HB   VAL  84           HB       VAL  84  -1.827 -11.302  -4.371
  635   HG11  VAL  84          1HG1      VAL  84  -0.612 -13.433  -5.102
  636   HG12  VAL  84          2HG1      VAL  84   0.093 -12.448  -6.386
  637   HG13  VAL  84          3HG1      VAL  84   0.388 -12.021  -4.691
  638   HG21  VAL  84          3HG2      VAL  84  -2.068  -9.516  -6.087
  639   HG22  VAL  84          1HG2      VAL  84  -0.398  -9.731  -5.551
  640   HG23  VAL  84          2HG2      VAL  84  -0.913 -10.365  -7.124
  641    H    SER  85           H        SER  85  -4.018 -11.616  -3.871
  642    HA   SER  85           HA       SER  85  -5.812  -9.557  -5.080
  643    HB2  SER  85           2HB      SER  85  -6.383 -11.358  -2.686
  644    HB3  SER  85           3HB      SER  85  -7.445 -10.095  -3.337
  645    HG   SER  85           HG       SER  85  -7.999 -12.225  -4.047
  646    H    ILE  86           H        ILE  86  -5.633  -7.546  -4.006
  647    HA   ILE  86           HA       ILE  86  -3.812  -7.460  -1.650
  648    HB   ILE  86           HB       ILE  86  -3.615  -5.581  -4.031
  649   HG12  ILE  86          2HG1      ILE  86  -1.834  -7.937  -3.275
  650   HG13  ILE  86          3HG1      ILE  86  -2.789  -7.756  -4.738
  651   HG21  ILE  86          1HG2      ILE  86  -2.997  -4.537  -1.877
  652   HG22  ILE  86          2HG2      ILE  86  -1.871  -5.863  -1.548
  653   HG23  ILE  86          3HG2      ILE  86  -1.581  -4.735  -2.879
  654   HD11  ILE  86          3HD1      ILE  86  -0.286  -6.227  -3.998
  655   HD12  ILE  86          1HD1      ILE  86  -0.553  -7.318  -5.362
  656   HD13  ILE  86          2HD1      ILE  86  -1.365  -5.742  -5.336
  657    H    ARG  87           H        ARG  87  -4.372  -5.986  -0.173
  658    HA   ARG  87           HA       ARG  87  -6.758  -4.279  -0.661
  659    HB2  ARG  87           2HB      ARG  87  -7.105  -6.026   1.094
  660    HB3  ARG  87           3HB      ARG  87  -5.712  -5.390   1.978
  661    HG2  ARG  87           2HG      ARG  87  -6.850  -3.219   2.274
  662    HG3  ARG  87           3HG      ARG  87  -8.248  -3.808   1.362
  663    HD2  ARG  87           2HD      ARG  87  -7.224  -5.013   3.974
  664    HD3  ARG  87           3HD      ARG  87  -8.559  -3.864   3.832
  665    HE   ARG  87           HE       ARG  87  -8.857  -6.263   2.174
  666   HH11  ARG  87          1HH1      ARG  87  -9.675  -4.854   5.399
  667   HH12  ARG  87          2HH1      ARG  87 -10.892  -6.051   5.671
  668   HH21  ARG  87          1HH2      ARG  87 -10.384  -7.656   2.525
  669   HH22  ARG  87          2HH2      ARG  87 -11.356  -7.707   3.986
  670    H    PHE  88           H        PHE  88  -6.393  -2.117  -0.356
  671    HA   PHE  88           HA       PHE  88  -3.666  -1.186   0.426
  672    HB2  PHE  88           2HB      PHE  88  -5.521  -0.331  -1.840
  673    HB3  PHE  88           3HB      PHE  88  -4.248   0.706  -1.233
  674    HD1  PHE  88           1HD      PHE  88  -1.869   0.133  -1.463
  675    HD2  PHE  88           2HD      PHE  88  -4.967  -2.206  -3.343
  676    HE1  PHE  88           1HE      PHE  88  -0.193  -0.861  -2.981
  677    HE2  PHE  88           2HE      PHE  88  -3.280  -3.166  -4.899
  678    HZ   PHE  88           HZ       PHE  88  -0.893  -2.507  -4.715
  679    H    GLY  89           H        GLY  89  -3.681   1.024   1.294
  680    HA2  GLY  89           2HA      GLY  89  -6.172   2.372   1.872
  681    HA3  GLY  89           3HA      GLY  89  -5.450   1.628   3.317
  682    H    ARG  90           H        ARG  90  -5.524   4.243   3.608
  683    HA   ARG  90           HA       ARG  90  -3.167   5.571   2.488
  684    HB2  ARG  90           2HB      ARG  90  -5.179   6.305   4.671
  685    HB3  ARG  90           3HB      ARG  90  -3.714   7.237   4.380
  686    HG2  ARG  90           2HG      ARG  90  -5.368   8.365   3.166
  687    HG3  ARG  90           3HG      ARG  90  -4.400   7.504   1.973
  688    HD2  ARG  90           2HD      ARG  90  -6.220   5.731   1.904
  689    HD3  ARG  90           3HD      ARG  90  -7.187   6.753   2.965
  690    HE   ARG  90           HE       ARG  90  -6.378   7.183   0.142
  691   HH11  ARG  90          1HH1      ARG  90  -8.204   8.483   2.908
  692   HH12  ARG  90          2HH1      ARG  90  -9.091   9.619   1.962
  693   HH21  ARG  90          2HH2      ARG  90  -7.522   8.698  -1.094
  694   HH22  ARG  90          1HH2      ARG  90  -8.687   9.749  -0.374
  695    HA   PRO  91           HA       PRO  91  -0.364   3.761   5.433
  696    HB2  PRO  91           2HB      PRO  91   1.541   5.755   5.739
  697    HB3  PRO  91           3HB      PRO  91   1.424   4.697   4.306
  698    HG2  PRO  91           2HG      PRO  91   0.326   7.495   4.659
  699    HG3  PRO  91           3HG      PRO  91   1.227   6.821   3.262
  700    HD2  PRO  91           2HD      PRO  91  -1.488   7.026   3.269
  701    HD3  PRO  91           3HD      PRO  91  -0.667   5.633   2.502
  702    H    ARG  92           H        ARG  92   0.411   3.992   7.621
  703    HA   ARG  92           HA       ARG  92   0.064   4.251   9.822
  704    HB2  ARG  92           2HB      ARG  92  -0.422   7.176   9.138
  705    HB3  ARG  92           3HB      ARG  92  -0.136   6.535  10.752
  706    HG2  ARG  92           2HG      ARG  92   2.083   5.706  10.085
  707    HG3  ARG  92           3HG      ARG  92   1.867   6.366   8.457
  708    HD2  ARG  92           2HD      ARG  92   1.762   8.013  11.011
  709    HD3  ARG  92           3HD      ARG  92   3.218   7.809  10.029
  710    HE   ARG  92           HE       ARG  92   1.499   8.700   8.167
  711   HH11  ARG  92          1HH1      ARG  92   2.130   9.979  11.435
  712   HH12  ARG  92          2HH1      ARG  92   1.974  11.632  10.947
  713   HH21  ARG  92          1HH2      ARG  92   1.189  10.890   7.570
  714   HH22  ARG  92          2HH2      ARG  92   1.368  12.150   8.728
  715    H    LEU  93           H        LEU  93  -1.668   5.556  11.462
  716    HA   LEU  93           HA       LEU  93  -4.399   5.206  10.634
  717    HB2  LEU  93           2HB      LEU  93  -5.021   3.382  11.953
  718    HB3  LEU  93           3HB      LEU  93  -3.631   2.820  11.053
  719    HG   LEU  93           HG       LEU  93  -3.689   3.635  13.991
  720   HD11  LEU  93          1HD1      LEU  93  -4.813   1.504  13.482
  721   HD12  LEU  93          2HD1      LEU  93  -3.341   0.912  12.679
  722   HD13  LEU  93          3HD1      LEU  93  -3.341   1.255  14.426
  723   HD21  LEU  93          3HD2      LEU  93  -1.383   2.627  14.103
  724   HD22  LEU  93          1HD2      LEU  93  -1.356   2.598  12.328
  725   HD23  LEU  93          2HD2      LEU  93  -1.448   4.143  13.210
  726    H    THR  94           H        THR  94  -5.797   5.451  12.806
  727    HA   THR  94           HA       THR  94  -5.233   8.030  13.719
  728    HB   THR  94           HB       THR  94  -7.163   7.378  15.361
  729    HG1  THR  94           1HG      THR  94  -8.158   5.461  14.903
  730   HG21  THR  94          3HG2      THR  94  -7.547   7.083  12.340
  731   HG22  THR  94          1HG2      THR  94  -8.816   7.457  13.530
  732   HG23  THR  94          2HG2      THR  94  -7.507   8.613  13.242
  733    H    SER  95           H        SER  95  -4.162   4.980  15.109
  734    HA   SER  95           HA       SER  95  -3.581   5.853  17.728
  735    HB2  SER  95           2HB      SER  95  -2.029   3.816  16.099
  736    HB3  SER  95           3HB      SER  95  -2.259   3.847  17.853
  737    HG   SER  95           HG       SER  95  -4.443   3.369  17.537
  738    H    ASN  96           H        ASN  96  -2.071   6.847  14.772
  739    HA   ASN  96           HA       ASN  96   0.626   7.275  15.494
  740    HB2  ASN  96           2HB      ASN  96  -0.110   7.594  13.216
  741    HB3  ASN  96           3HB      ASN  96  -1.275   8.830  13.700
  742   HD21  ASN  96          2HD2      ASN  96  -0.357  10.850  14.709
  743   HD22  ASN  96          1HD2      ASN  96   1.157  11.456  14.060
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  -3.651  31.074 -30.017
    2    H2   MET   1           H2       MET   1  -3.428  30.212 -31.398
    3    H3   MET   1           H3       MET   1  -3.579  29.445 -29.959
    4    HA   MET   1           HA       MET   1  -1.289  29.435 -30.627
    5    HB2  MET   1           2HB      MET   1  -1.613  32.471 -30.583
    6    HB3  MET   1           3HB      MET   1  -0.060  31.634 -30.559
    7    HG2  MET   1           2HG      MET   1  -0.576  30.562 -32.729
    8    HG3  MET   1           3HG      MET   1  -2.133  31.390 -32.768
    9    HE1  MET   1           3HE      MET   1   1.726  31.651 -33.216
   10    HE2  MET   1           1HE      MET   1   2.001  33.396 -33.405
   11    HE3  MET   1           2HE      MET   1   1.563  32.739 -31.817
   12    H    GLY   2           H        GLY   2   0.088  29.008 -28.919
   13    HA2  GLY   2           2HA      GLY   2   0.272  30.496 -26.524
   14    HA3  GLY   2           3HA      GLY   2  -0.804  29.110 -26.258
   15    H    HIS   3           H        HIS   3   1.385  29.019 -24.800
   16    HA   HIS   3           HA       HIS   3   3.229  27.074 -26.108
   17    HB2  HIS   3           2HB      HIS   3   4.027  29.416 -24.330
   18    HB3  HIS   3           3HB      HIS   3   5.117  28.218 -25.018
   19    HD1  HIS   3           1HD      HIS   3   5.303  28.301 -27.838
   20    HD2  HIS   3           2HD      HIS   3   3.522  31.535 -25.811
   21    HE1  HIS   3           1HE      HIS   3   5.261  30.241 -29.484
   22    H    HIS   4           H        HIS   4   0.880  27.002 -24.035
   23    HA   HIS   4           HA       HIS   4   2.101  25.102 -22.212
   24    HB2  HIS   4           2HB      HIS   4   1.137  26.239 -20.191
   25    HB3  HIS   4           3HB      HIS   4   2.510  27.073 -20.897
   26    HD1  HIS   4           1HD      HIS   4  -1.224  27.619 -20.206
   27    HD2  HIS   4           2HD      HIS   4   2.073  29.466 -22.084
   28    HE1  HIS   4           1HE      HIS   4  -1.921  30.007 -20.694
   29    H    HIS   5           H        HIS   5   0.374  23.962 -21.002
   30    HA   HIS   5           HA       HIS   5  -2.365  24.159 -22.049
   31    HB2  HIS   5           2HB      HIS   5  -0.677  21.617 -22.202
   32    HB3  HIS   5           3HB      HIS   5  -2.396  21.730 -22.559
   33    HD1  HIS   5           1HD      HIS   5  -3.015  23.211 -24.868
   34    HD2  HIS   5           2HD      HIS   5   1.001  22.155 -24.164
   35    HE1  HIS   5           1HE      HIS   5  -1.792  23.537 -27.076
   36    H    HIS   6           H        HIS   6  -3.816  22.816 -20.691
   37    HA   HIS   6           HA       HIS   6  -2.753  22.369 -17.939
   38    HB2  HIS   6           2HB      HIS   6  -5.270  23.893 -18.712
   39    HB3  HIS   6           3HB      HIS   6  -4.681  23.605 -17.075
   40    HD1  HIS   6           1HD      HIS   6  -2.303  24.934 -16.428
   41    HD2  HIS   6           2HD      HIS   6  -4.199  25.929 -20.055
   42    HE1  HIS   6           1HE      HIS   6  -1.213  27.084 -17.239
   43    H    HIS   7           H        HIS   7  -3.889  20.646 -20.363
   44    HA   HIS   7           HA       HIS   7  -6.106  19.175 -19.274
   45    HB2  HIS   7           2HB      HIS   7  -5.284  17.397 -20.866
   46    HB3  HIS   7           3HB      HIS   7  -5.684  18.950 -21.585
   47    HD1  HIS   7           1HD      HIS   7  -2.209  18.352 -20.006
   48    HD2  HIS   7           2HD      HIS   7  -4.153  18.646 -23.729
   49    HE1  HIS   7           1HE      HIS   7  -0.365  18.471 -21.773
   50    H    HIS   8           H        HIS   8  -6.086  17.282 -18.006
   51    HA   HIS   8           HA       HIS   8  -3.640  16.240 -16.825
   52    HB2  HIS   8           2HB      HIS   8  -4.270  16.926 -14.519
   53    HB3  HIS   8           3HB      HIS   8  -3.863  18.297 -15.529
   54    HD1  HIS   8           1HD      HIS   8  -5.895  20.006 -16.137
   55    HD2  HIS   8           2HD      HIS   8  -6.847  16.718 -13.675
   56    HE1  HIS   8           1HE      HIS   8  -8.194  20.487 -15.148
   57    H    LEU   9           H        LEU   9  -4.338  14.675 -14.989
   58    HA   LEU   9           HA       LEU   9  -7.010  13.465 -15.374
   59    HB2  LEU   9           2HB      LEU   9  -5.426  12.235 -16.779
   60    HB3  LEU   9           3HB      LEU   9  -4.294  12.077 -15.453
   61    HG   LEU   9           HG       LEU   9  -5.606  10.036 -16.101
   62   HD11  LEU   9          1HD1      LEU   9  -6.029  10.737 -13.179
   63   HD12  LEU   9          2HD1      LEU   9  -5.873   9.142 -13.913
   64   HD13  LEU   9          3HD1      LEU   9  -4.479  10.233 -13.890
   65   HD21  LEU   9          3HD2      LEU   9  -7.884   9.712 -15.386
   66   HD22  LEU   9          1HD2      LEU   9  -7.968  11.335 -14.689
   67   HD23  LEU   9          2HD2      LEU   9  -7.811  11.127 -16.449
   68    H    ASP  10           H        ASP  10  -7.918  13.387 -13.384
   69    HA   ASP  10           HA       ASP  10  -6.262  13.253 -10.928
   70    HB2  ASP  10           2HB      ASP  10  -6.481  15.612 -11.512
   71    HB3  ASP  10           3HB      ASP  10  -8.223  15.427 -11.722
   72    H    SER  11           H        SER  11  -7.322  11.024 -11.347
   73    HA   SER  11           HA       SER  11 -10.054  10.538 -10.942
   74    HB2  SER  11           2HB      SER  11  -7.833   8.787  -9.863
   75    HB3  SER  11           3HB      SER  11  -9.382   8.298 -10.554
   76    HG   SER  11           HG       SER  11  -7.489   8.015 -11.923
   77    H    TYR  12           H        TYR  12 -11.110   9.652  -8.963
   78    HA   TYR  12           HA       TYR  12 -10.531  11.145  -6.527
   79    HB2  TYR  12           2HB      TYR  12 -12.424   9.899  -5.601
   80    HB3  TYR  12           3HB      TYR  12 -12.820  10.688  -7.107
   81    HD1  TYR  12           2HD      TYR  12 -12.260   7.402  -5.467
   82    HD2  TYR  12           1HD      TYR  12 -13.458   9.423  -9.092
   83    HE1  TYR  12           2HE      TYR  12 -13.178   5.282  -6.338
   84    HE2  TYR  12           1HE      TYR  12 -14.375   7.300  -9.974
   85    HH   TYR  12           HH       TYR  12 -14.280   4.230  -8.107
   86    H    ALA  13           H        ALA  13 -10.638   9.524  -4.421
   87    HA   ALA  13           HA       ALA  13  -8.489   7.491  -4.753
   88    HB1  ALA  13           3HB      ALA  13  -7.523   9.636  -3.924
   89    HB2  ALA  13           1HB      ALA  13  -8.683   9.627  -2.579
   90    HB3  ALA  13           2HB      ALA  13  -7.447   8.363  -2.693
   91    HA   PRO  14           HA       PRO  14 -11.007   4.842  -2.124
   92    HB2  PRO  14           2HB      PRO  14  -8.526   4.664  -0.390
   93    HB3  PRO  14           3HB      PRO  14  -9.627   3.351  -0.913
   94    HG2  PRO  14           2HG      PRO  14  -7.260   3.731  -2.179
   95    HG3  PRO  14           3HG      PRO  14  -8.741   3.399  -3.136
   96    HD2  PRO  14           2HD      PRO  14  -7.384   6.048  -2.629
   97    HD3  PRO  14           3HD      PRO  14  -8.105   5.414  -4.137
   98    H    ARG  15           H        ARG  15 -12.384   5.191  -0.381
   99    HA   ARG  15           HA       ARG  15 -12.389   7.707   0.917
  100    HB2  ARG  15           2HB      ARG  15 -14.403   6.335   0.520
  101    HB3  ARG  15           3HB      ARG  15 -13.823   5.117   1.650
  102    HG2  ARG  15           2HG      ARG  15 -15.579   6.437   2.638
  103    HG3  ARG  15           3HG      ARG  15 -14.093   6.687   3.536
  104    HD2  ARG  15           2HD      ARG  15 -15.073   8.612   1.382
  105    HD3  ARG  15           3HD      ARG  15 -15.584   8.723   3.074
  106    HE   ARG  15           HE       ARG  15 -12.796   8.620   3.136
  107   HH11  ARG  15          1HH1      ARG  15 -15.260  10.851   1.878
  108   HH12  ARG  15          2HH1      ARG  15 -14.261  12.251   2.011
  109   HH21  ARG  15          1HH2      ARG  15 -11.473  10.459   3.310
  110   HH22  ARG  15          2HH2      ARG  15 -12.049  12.018   2.855
  111    H    ALA  16           H        ALA  16 -11.057   4.586   1.907
  112    HA   ALA  16           HA       ALA  16  -9.274   5.929   3.751
  113    HB1  ALA  16           3HB      ALA  16  -9.756   4.434   5.677
  114    HB2  ALA  16           1HB      ALA  16 -11.145   5.471   5.308
  115    HB3  ALA  16           2HB      ALA  16 -11.155   3.762   4.815
  116    H    GLU  17           H        GLU  17 -10.555   2.833   2.493
  117    HA   GLU  17           HA       GLU  17  -7.972   2.058   1.458
  118    HB2  GLU  17           2HB      GLU  17  -7.925  -0.111   2.719
  119    HB3  GLU  17           3HB      GLU  17  -7.607   1.310   3.703
  120    HG2  GLU  17           2HG      GLU  17  -9.998   1.225   4.519
  121    HG3  GLU  17           3HG      GLU  17 -10.192  -0.284   3.616
  122    H    ALA  18           H        ALA  18  -8.172  -0.005   0.234
  123    HA   ALA  18           HA       ALA  18 -10.837  -0.843  -0.617
  124    HB1  ALA  18           3HB      ALA  18  -8.915   0.600  -2.508
  125    HB2  ALA  18           1HB      ALA  18 -10.411  -0.227  -2.990
  126    HB3  ALA  18           2HB      ALA  18 -10.493   1.213  -1.967
  127    H    GLU  19           H        GLU  19 -10.416  -2.483  -2.561
  128    HA   GLU  19           HA       GLU  19  -7.948  -4.030  -2.121
  129    HB2  GLU  19           2HB      GLU  19  -9.762  -4.563  -0.383
  130    HB3  GLU  19           3HB      GLU  19 -10.738  -5.198  -1.705
  131    HG2  GLU  19           2HG      GLU  19  -9.015  -6.893  -2.184
  132    HG3  GLU  19           3HG      GLU  19  -7.946  -6.182  -0.969
  133    H    LYS  20           H        LYS  20  -7.485  -5.421  -3.857
  134    HA   LYS  20           HA       LYS  20  -9.256  -5.533  -6.222
  135    HB2  LYS  20           2HB      LYS  20  -6.530  -4.159  -6.090
  136    HB3  LYS  20           3HB      LYS  20  -7.212  -4.719  -7.605
  137    HG2  LYS  20           2HG      LYS  20  -8.455  -2.587  -5.832
  138    HG3  LYS  20           3HG      LYS  20  -7.501  -2.321  -7.290
  139    HD2  LYS  20           2HD      LYS  20  -9.189  -3.664  -8.596
  140    HD3  LYS  20           3HD      LYS  20 -10.221  -3.707  -7.162
  141    HE2  LYS  20           2HE      LYS  20  -9.213  -1.170  -8.529
  142    HE3  LYS  20           3HE      LYS  20 -10.785  -1.907  -8.837
  143    HZ1  LYS  20           3HZ      LYS  20 -11.422  -1.474  -6.580
  144    HZ2  LYS  20           1HZ      LYS  20  -9.936  -0.897  -6.187
  145    HZ3  LYS  20           2HZ      LYS  20 -10.868  -0.078  -7.253
  146    H    THR  21           H        THR  21  -7.986  -6.800  -7.992
  147    HA   THR  21           HA       THR  21  -6.104  -8.778  -6.885
  148    HB   THR  21           HB       THR  21  -8.640  -9.364  -8.459
  149    HG1  THR  21           1HG      THR  21  -9.055  -9.189  -6.308
  150   HG21  THR  21          3HG2      THR  21  -6.796 -10.876  -9.218
  151   HG22  THR  21          1HG2      THR  21  -6.567 -11.393  -7.530
  152   HG23  THR  21          2HG2      THR  21  -8.093 -11.721  -8.365
  153    H    PHE  22           H        PHE  22  -4.537  -9.409  -8.364
  154    HA   PHE  22           HA       PHE  22  -4.398  -8.013 -10.973
  155    HB2  PHE  22           2HB      PHE  22  -2.309  -7.760  -8.765
  156    HB3  PHE  22           3HB      PHE  22  -2.205  -7.065 -10.367
  157    HD1  PHE  22           1HD      PHE  22  -4.189  -5.381 -11.023
  158    HD2  PHE  22           2HD      PHE  22  -2.956  -6.358  -7.006
  159    HE1  PHE  22           1HE      PHE  22  -5.100  -3.219 -10.214
  160    HE2  PHE  22           2HE      PHE  22  -3.841  -4.186  -6.207
  161    HZ   PHE  22           HZ       PHE  22  -4.918  -2.611  -7.808
  162    H    SER  23           H        SER  23  -2.354  -8.634 -12.072
  163    HA   SER  23           HA       SER  23  -0.888 -10.998 -11.250
  164    HB2  SER  23           2HB      SER  23  -2.265 -10.843 -13.971
  165    HB3  SER  23           3HB      SER  23  -1.137 -12.097 -13.431
  166    HG   SER  23           HG       SER  23  -3.361 -12.711 -13.272
  167    H    TYR  24           H        TYR  24   0.972 -11.163 -13.146
  168    HA   TYR  24           HA       TYR  24   1.676  -8.423 -14.010
  169    HB2  TYR  24           2HB      TYR  24   3.506 -10.355 -12.574
  170    HB3  TYR  24           3HB      TYR  24   3.968  -8.776 -13.171
  171    HD1  TYR  24           1HD      TYR  24   2.526  -6.732 -12.207
  172    HD2  TYR  24           2HD      TYR  24   2.950 -10.583 -10.322
  173    HE1  TYR  24           1HE      TYR  24   1.849  -5.734 -10.046
  174    HE2  TYR  24           2HE      TYR  24   2.246  -9.606  -8.149
  175    HH   TYR  24           HH       TYR  24   1.419  -6.123  -7.792
  176    HA   PRO  25           HA       PRO  25   4.134  -7.820 -15.154
  177    HB2  PRO  25           2HB      PRO  25   3.734  -7.616 -18.130
  178    HB3  PRO  25           3HB      PRO  25   5.148  -7.137 -17.142
  179    HG2  PRO  25           2HG      PRO  25   5.207  -9.421 -18.601
  180    HG3  PRO  25           3HG      PRO  25   5.860  -9.409 -16.928
  181    HD2  PRO  25           2HD      PRO  25   3.140 -10.362 -17.873
  182    HD3  PRO  25           3HD      PRO  25   4.288 -11.161 -16.758
  183    H    LEU  26           H        LEU  26   3.233  -5.693 -15.137
  184    HA   LEU  26           HA       LEU  26   0.715  -5.046 -16.409
  185    HB2  LEU  26           2HB      LEU  26  -0.062  -6.365 -14.452
  186    HB3  LEU  26           3HB      LEU  26   0.925  -5.377 -13.375
  187    HG   LEU  26           HG       LEU  26  -0.491  -3.404 -13.879
  188   HD11  LEU  26          1HD1      LEU  26  -2.165  -5.362 -15.521
  189   HD12  LEU  26          2HD1      LEU  26  -2.647  -3.711 -15.075
  190   HD13  LEU  26          3HD1      LEU  26  -1.282  -3.962 -16.163
  191   HD21  LEU  26          3HD2      LEU  26  -2.085  -5.853 -13.021
  192   HD22  LEU  26          1HD2      LEU  26  -1.013  -4.904 -11.977
  193   HD23  LEU  26          2HD2      LEU  26  -2.468  -4.153 -12.650
  194    H    ASP  27           H        ASP  27   0.413  -2.726 -16.272
  195    HA   ASP  27           HA       ASP  27   2.810  -1.188 -15.628
  196    HB2  ASP  27           2HB      ASP  27   1.543  -0.745 -17.683
  197    HB3  ASP  27           3HB      ASP  27   0.119  -0.315 -16.728
  198    H    LEU  28           H        LEU  28   2.435  -2.135 -13.373
  199    HA   LEU  28           HA       LEU  28   1.226  -0.112 -11.582
  200    HB2  LEU  28           2HB      LEU  28  -0.462  -1.891 -11.713
  201    HB3  LEU  28           3HB      LEU  28   0.779  -3.133 -11.543
  202    HG   LEU  28           HG       LEU  28   1.224  -2.425  -9.215
  203   HD11  LEU  28          1HD1      LEU  28  -1.040  -0.433  -9.688
  204   HD12  LEU  28          2HD1      LEU  28  -0.392  -0.874  -8.088
  205   HD13  LEU  28          3HD1      LEU  28   0.638  -0.060  -9.260
  206   HD21  LEU  28          3HD2      LEU  28  -0.894  -3.240  -8.253
  207   HD22  LEU  28          1HD2      LEU  28  -1.712  -2.986  -9.809
  208   HD23  LEU  28          2HD2      LEU  28  -0.418  -4.192  -9.663
  209    H    LEU  29           H        LEU  29   2.688   0.247  -9.852
  210    HA   LEU  29           HA       LEU  29   4.974  -1.576  -9.521
  211    HB2  LEU  29           2HB      LEU  29   5.393   0.104 -11.403
  212    HB3  LEU  29           3HB      LEU  29   5.308   1.387 -10.221
  213    HG   LEU  29           HG       LEU  29   7.569   0.509 -11.086
  214   HD11  LEU  29          1HD1      LEU  29   8.764   0.925  -9.002
  215   HD12  LEU  29          2HD1      LEU  29   7.486   2.106  -9.290
  216   HD13  LEU  29          3HD1      LEU  29   7.255   0.818  -8.087
  217   HD21  LEU  29          3HD2      LEU  29   8.633  -1.346 -10.025
  218   HD22  LEU  29          1HD2      LEU  29   7.244  -1.651  -8.974
  219   HD23  LEU  29          2HD2      LEU  29   7.115  -1.913 -10.731
  220    H    LEU  30           H        LEU  30   5.977  -1.289  -7.481
  221    HA   LEU  30           HA       LEU  30   4.582   0.437  -5.502
  222    HB2  LEU  30           2HB      LEU  30   5.451  -2.436  -5.049
  223    HB3  LEU  30           3HB      LEU  30   4.588  -1.391  -3.933
  224    HG   LEU  30           HG       LEU  30   3.442  -2.587  -6.492
  225   HD11  LEU  30          1HD1      LEU  30   2.976  -3.278  -3.563
  226   HD12  LEU  30          2HD1      LEU  30   2.163  -4.021  -4.958
  227   HD13  LEU  30          3HD1      LEU  30   3.908  -4.231  -4.733
  228   HD21  LEU  30          3HD2      LEU  30   2.245  -0.540  -6.051
  229   HD22  LEU  30          1HD2      LEU  30   1.227  -1.877  -5.530
  230   HD23  LEU  30          2HD2      LEU  30   2.102  -0.930  -4.310
  231    H    LYS  31           H        LYS  31   6.033   0.935  -3.649
  232    HA   LYS  31           HA       LYS  31   8.878   0.191  -4.003
  233    HB2  LYS  31           2HB      LYS  31   9.660   2.492  -3.926
  234    HB3  LYS  31           3HB      LYS  31   8.634   2.213  -5.313
  235    HG2  LYS  31           2HG      LYS  31   7.951   4.285  -4.659
  236    HG3  LYS  31           3HG      LYS  31   6.715   3.291  -3.899
  237    HD2  LYS  31           2HD      LYS  31   7.842   3.520  -1.716
  238    HD3  LYS  31           3HD      LYS  31   9.191   4.378  -2.458
  239    HE2  LYS  31           2HE      LYS  31   6.295   5.350  -2.497
  240    HE3  LYS  31           3HE      LYS  31   7.455   5.790  -1.244
  241    HZ1  LYS  31           3HZ      LYS  31   8.835   6.824  -2.956
  242    HZ2  LYS  31           1HZ      LYS  31   7.759   6.434  -4.125
  243    HZ3  LYS  31           2HZ      LYS  31   7.350   7.483  -2.950
  244    H    LEU  32           H        LEU  32  10.193   0.655  -2.131
  245    HA   LEU  32           HA       LEU  32   8.707   0.394   0.420
  246    HB2  LEU  32           2HB      LEU  32  10.501  -1.225  -0.125
  247    HB3  LEU  32           3HB      LEU  32  11.641   0.093  -0.369
  248    HG   LEU  32           HG       LEU  32  11.485   0.685   2.055
  249   HD11  LEU  32          1HD1      LEU  32   9.334  -0.079   2.745
  250   HD12  LEU  32          2HD1      LEU  32   9.617  -1.710   2.111
  251   HD13  LEU  32          3HD1      LEU  32  10.471  -1.149   3.567
  252   HD21  LEU  32          3HD2      LEU  32  12.209  -2.209   1.418
  253   HD22  LEU  32          1HD2      LEU  32  13.264  -0.792   1.269
  254   HD23  LEU  32          2HD2      LEU  32  12.721  -1.318   2.869
  255    H    HIS  33           H        HIS  33   8.496   2.202   1.741
  256    HA   HIS  33           HA       HIS  33  10.701   4.044   2.043
  257    HB2  HIS  33           2HB      HIS  33   9.501   5.108   0.120
  258    HB3  HIS  33           3HB      HIS  33   8.025   5.151   1.085
  259    HD1  HIS  33           1HD      HIS  33  11.576   6.724   1.108
  260    HD2  HIS  33           2HD      HIS  33   7.709   7.194   2.714
  261    HE1  HIS  33           1HE      HIS  33  11.578   8.950   2.338
  262    H    ASP  34           H        ASP  34  10.552   5.058   4.109
  263    HA   ASP  34           HA       ASP  34  10.109   4.990   6.323
  264    HB2  ASP  34           2HB      ASP  34   8.429   6.600   5.539
  265    HB3  ASP  34           3HB      ASP  34   7.243   5.306   5.370
  266    H    GLU  35           H        GLU  35  10.521   2.523   5.213
  267    HA   GLU  35           HA       GLU  35  10.395   0.317   5.439
  268    HB2  GLU  35           2HB      GLU  35   9.428   0.949   8.244
  269    HB3  GLU  35           3HB      GLU  35  10.109  -0.587   7.687
  270    HG2  GLU  35           2HG      GLU  35  12.212   0.644   7.038
  271    HG3  GLU  35           3HG      GLU  35  11.566   2.078   7.845
  272    H    ARG  36           H        ARG  36   7.785   1.725   4.547
  273    HA   ARG  36           HA       ARG  36   6.099  -0.727   4.736
  274    HB2  ARG  36           2HB      ARG  36   5.310   2.199   4.978
  275    HB3  ARG  36           3HB      ARG  36   4.220   1.063   4.205
  276    HG2  ARG  36           2HG      ARG  36   3.482   1.141   6.414
  277    HG3  ARG  36           3HG      ARG  36   4.296  -0.395   6.235
  278    HD2  ARG  36           2HD      ARG  36   4.946   0.406   8.360
  279    HD3  ARG  36           3HD      ARG  36   6.347   0.690   7.354
  280    HE   ARG  36           HE       ARG  36   6.093   2.958   7.548
  281   HH11  ARG  36          1HH1      ARG  36   3.440   1.348   9.279
  282   HH12  ARG  36          2HH1      ARG  36   2.467   2.762   9.464
  283   HH21  ARG  36          1HH2      ARG  36   5.073   4.905   8.214
  284   HH22  ARG  36          2HH2      ARG  36   3.553   4.876   9.064
  285    H    VAL  37           H        VAL  37   4.714  -0.982   2.754
  286    HA   VAL  37           HA       VAL  37   6.256  -0.082   0.374
  287    HB   VAL  37           HB       VAL  37   4.306  -2.387   0.702
  288   HG11  VAL  37          1HG1      VAL  37   5.873  -1.470  -1.755
  289   HG12  VAL  37          2HG1      VAL  37   4.953  -2.986  -1.624
  290   HG13  VAL  37          3HG1      VAL  37   4.106  -1.440  -1.570
  291   HG21  VAL  37          3HG2      VAL  37   6.493  -2.839   1.691
  292   HG22  VAL  37          1HG2      VAL  37   6.372  -3.726   0.169
  293   HG23  VAL  37          2HG2      VAL  37   7.328  -2.237   0.243
  294    H    LEU  38           H        LEU  38   5.340   1.267  -1.058
  295    HA   LEU  38           HA       LEU  38   2.530   2.165  -0.614
  296    HB2  LEU  38           2HB      LEU  38   4.887   3.839  -1.579
  297    HB3  LEU  38           3HB      LEU  38   3.229   4.366  -1.451
  298    HG   LEU  38           HG       LEU  38   4.380   5.391   0.282
  299   HD11  LEU  38          1HD1      LEU  38   3.018   3.070   1.680
  300   HD12  LEU  38          2HD1      LEU  38   3.258   4.714   2.291
  301   HD13  LEU  38          3HD1      LEU  38   2.156   4.440   0.932
  302   HD21  LEU  38          3HD2      LEU  38   6.346   3.806   0.320
  303   HD22  LEU  38          1HD2      LEU  38   5.813   4.416   1.900
  304   HD23  LEU  38          2HD2      LEU  38   5.409   2.772   1.408
  305    H    VAL  39           H        VAL  39   1.393   2.637  -2.543
  306    HA   VAL  39           HA       VAL  39   2.220   1.307  -4.975
  307    HB   VAL  39           HB       VAL  39   0.041   3.346  -4.457
  308   HG11  VAL  39          1HG1      VAL  39   0.370   1.359  -6.756
  309   HG12  VAL  39          2HG1      VAL  39  -1.040   2.407  -6.495
  310   HG13  VAL  39          3HG1      VAL  39   0.529   3.121  -6.873
  311   HG21  VAL  39          3HG2      VAL  39  -0.322   1.340  -3.049
  312   HG22  VAL  39          1HG2      VAL  39  -1.522   1.432  -4.334
  313   HG23  VAL  39          2HG2      VAL  39  -0.160   0.300  -4.479
  314    H    ALA  40           H        ALA  40   3.732   2.092  -6.377
  315    HA   ALA  40           HA       ALA  40   4.780   4.800  -5.962
  316    HB1  ALA  40           3HB      ALA  40   5.594   2.648  -7.952
  317    HB2  ALA  40           1HB      ALA  40   6.525   4.091  -7.512
  318    HB3  ALA  40           2HB      ALA  40   6.268   2.807  -6.312
  319    H    PHE  41           H        PHE  41   2.780   3.051  -8.307
  320    HA   PHE  41           HA       PHE  41   1.895   5.576  -9.485
  321    HB2  PHE  41           2HB      PHE  41   3.874   4.959 -10.886
  322    HB3  PHE  41           3HB      PHE  41   3.164   3.379 -11.188
  323    HD1  PHE  41           2HD      PHE  41   2.708   7.054 -11.718
  324    HD2  PHE  41           1HD      PHE  41   1.503   3.087 -12.930
  325    HE1  PHE  41           2HE      PHE  41   1.524   8.009 -13.679
  326    HE2  PHE  41           1HE      PHE  41   0.323   4.053 -14.885
  327    HZ   PHE  41           HZ       PHE  41   0.332   6.509 -15.270
  328    H    GLY  42           H        GLY  42  -0.268   5.344 -10.091
  329    HA2  GLY  42           2HA      GLY  42  -1.639   3.034 -10.868
  330    HA3  GLY  42           3HA      GLY  42  -1.722   3.095  -9.094
  331    H    GLN  43           H        GLN  43  -2.891   4.463 -12.045
  332    HA   GLN  43           HA       GLN  43  -4.238   6.707 -10.599
  333    HB2  GLN  43           2HB      GLN  43  -3.703   6.678 -13.564
  334    HB3  GLN  43           3HB      GLN  43  -3.980   8.046 -12.501
  335    HG2  GLN  43           2HG      GLN  43  -1.450   6.372 -12.760
  336    HG3  GLN  43           3HG      GLN  43  -1.691   8.027 -13.295
  337   HE21  GLN  43          2HE2      GLN  43  -2.494   9.556 -11.319
  338   HE22  GLN  43          1HE2      GLN  43  -1.519   9.372  -9.883
  339    H    ARG  44           H        ARG  44  -4.850   3.804 -12.359
  340    HA   ARG  44           HA       ARG  44  -7.428   4.698 -13.480
  341    HB2  ARG  44           2HB      ARG  44  -6.275   1.863 -13.419
  342    HB3  ARG  44           3HB      ARG  44  -7.675   2.434 -14.310
  343    HG2  ARG  44           2HG      ARG  44  -6.194   2.495 -16.026
  344    HG3  ARG  44           3HG      ARG  44  -5.896   4.122 -15.400
  345    HD2  ARG  44           2HD      ARG  44  -3.972   3.151 -14.054
  346    HD3  ARG  44           3HD      ARG  44  -4.293   1.585 -14.824
  347    HE   ARG  44           HE       ARG  44  -3.938   3.630 -16.800
  348   HH11  ARG  44          1HH1      ARG  44  -2.050   1.599 -14.525
  349   HH12  ARG  44          2HH1      ARG  44  -0.582   1.779 -15.442
  350   HH21  ARG  44          1HH2      ARG  44  -1.897   3.782 -17.967
  351   HH22  ARG  44          2HH2      ARG  44  -0.505   2.945 -17.302
  352    H    ASP  45           H        ASP  45  -9.411   3.942 -12.718
  353    HA   ASP  45           HA       ASP  45 -11.004   3.582 -11.233
  354    HB2  ASP  45           2HB      ASP  45 -10.198   1.266 -11.154
  355    HB3  ASP  45           3HB      ASP  45  -9.136   1.676  -9.804
  356    H    GLY  46           H        GLY  46  -7.879   4.546  -9.863
  357    HA2  GLY  46           2HA      GLY  46  -8.992   6.865  -8.765
  358    HA3  GLY  46           3HA      GLY  46  -8.727   5.716  -7.440
  359    H    ILE  47           H        ILE  47  -7.247   8.033  -7.450
  360    HA   ILE  47           HA       ILE  47  -4.558   7.493  -8.495
  361    HB   ILE  47           HB       ILE  47  -3.887   9.471  -7.157
  362   HG12  ILE  47          2HG1      ILE  47  -6.868   9.920  -6.680
  363   HG13  ILE  47          3HG1      ILE  47  -5.739   9.407  -5.438
  364   HG21  ILE  47          1HG2      ILE  47  -6.176  10.031  -9.078
  365   HG22  ILE  47          2HG2      ILE  47  -4.751  11.036  -8.769
  366   HG23  ILE  47          3HG2      ILE  47  -4.565   9.485  -9.587
  367   HD11  ILE  47          3HD1      ILE  47  -6.087  11.772  -5.227
  368   HD12  ILE  47          1HD1      ILE  47  -4.425  11.503  -5.787
  369   HD13  ILE  47          2HD1      ILE  47  -5.680  12.055  -6.925
  370    H    ARG  48           H        ARG  48  -4.779   5.303  -7.615
  371    HA   ARG  48           HA       ARG  48  -4.577   4.754  -4.794
  372    HB2  ARG  48           2HB      ARG  48  -3.815   3.166  -7.283
  373    HB3  ARG  48           3HB      ARG  48  -3.751   2.513  -5.636
  374    HG2  ARG  48           2HG      ARG  48  -6.131   2.859  -5.311
  375    HG3  ARG  48           3HG      ARG  48  -6.304   3.678  -6.862
  376    HD2  ARG  48           2HD      ARG  48  -5.393   0.795  -6.577
  377    HD3  ARG  48           3HD      ARG  48  -7.069   1.287  -6.825
  378    HE   ARG  48           HE       ARG  48  -6.472   2.271  -8.970
  379   HH11  ARG  48          1HH1      ARG  48  -4.021   0.036  -7.665
  380   HH12  ARG  48          2HH1      ARG  48  -3.457  -0.442  -9.224
  381   HH21  ARG  48          1HH2      ARG  48  -5.780   1.653 -10.932
  382   HH22  ARG  48          2HH2      ARG  48  -4.474   0.520 -11.172
  383    H    VAL  49           H        VAL  49  -2.221   5.847  -7.179
  384    HA   VAL  49           HA       VAL  49   0.195   5.224  -5.985
  385    HB   VAL  49           HB       VAL  49   0.023   6.405  -8.046
  386   HG11  VAL  49          1HG1      VAL  49  -0.512   8.839  -8.176
  387   HG12  VAL  49          2HG1      VAL  49  -1.910   7.842  -7.758
  388   HG13  VAL  49          3HG1      VAL  49  -1.081   8.789  -6.500
  389   HG21  VAL  49          3HG2      VAL  49   2.086   6.697  -6.673
  390   HG22  VAL  49          1HG2      VAL  49   1.790   8.007  -7.825
  391   HG23  VAL  49          2HG2      VAL  49   1.448   8.251  -6.101
  392    H    GLY  50           H        GLY  50   1.390   5.880  -4.237
  393    HA2  GLY  50           2HA      GLY  50   1.988   7.077  -2.373
  394    HA3  GLY  50           3HA      GLY  50   0.555   8.100  -2.545
  395    H    HIS  51           H        HIS  51  -0.953   5.225  -2.683
  396    HA   HIS  51           HA       HIS  51  -1.619   5.278   0.167
  397    HB2  HIS  51           2HB      HIS  51  -2.633   3.565  -2.140
  398    HB3  HIS  51           3HB      HIS  51  -3.213   3.467  -0.495
  399    HD1  HIS  51           1HD      HIS  51  -3.006   6.277  -3.226
  400    HD2  HIS  51           2HD      HIS  51  -5.042   5.137   0.272
  401    HE1  HIS  51           1HE      HIS  51  -4.836   7.998  -2.875
  402    H    ALA  52           H        ALA  52  -1.402   3.456   1.545
  403    HA   ALA  52           HA       ALA  52   1.170   2.053   1.180
  404    HB1  ALA  52           3HB      ALA  52  -0.771   2.304   3.530
  405    HB2  ALA  52           1HB      ALA  52   0.813   1.495   3.584
  406    HB3  ALA  52           2HB      ALA  52   0.721   3.249   3.310
  407    H    VAL  53           H        VAL  53   1.311  -0.184   1.072
  408    HA   VAL  53           HA       VAL  53  -1.106  -1.719   0.426
  409    HB   VAL  53           HB       VAL  53   1.794  -2.572   0.856
  410   HG11  VAL  53          1HG1      VAL  53   0.341  -4.490   1.240
  411   HG12  VAL  53          2HG1      VAL  53  -0.600  -4.119  -0.221
  412   HG13  VAL  53          3HG1      VAL  53   1.089  -4.654  -0.350
  413   HG21  VAL  53          3HG2      VAL  53   1.550  -1.109  -1.123
  414   HG22  VAL  53          1HG2      VAL  53   1.844  -2.779  -1.611
  415   HG23  VAL  53          2HG2      VAL  53   0.202  -2.109  -1.709
  416    H    LEU  54           H        LEU  54  -2.117  -3.150   1.841
  417    HA   LEU  54           HA       LEU  54  -1.352  -2.974   4.724
  418    HB2  LEU  54           2HB      LEU  54  -4.138  -2.808   3.481
  419    HB3  LEU  54           3HB      LEU  54  -3.799  -2.837   5.205
  420    HG   LEU  54           HG       LEU  54  -2.917  -0.617   3.316
  421   HD11  LEU  54          1HD1      LEU  54  -5.216  -0.658   5.306
  422   HD12  LEU  54          2HD1      LEU  54  -4.704   0.709   4.287
  423   HD13  LEU  54          3HD1      LEU  54  -5.376  -0.748   3.539
  424   HD21  LEU  54          3HD2      LEU  54  -2.495   0.678   5.383
  425   HD22  LEU  54          1HD2      LEU  54  -2.878  -0.756   6.363
  426   HD23  LEU  54          2HD2      LEU  54  -1.457  -0.748   5.295
  427    H    ALA  55           H        ALA  55  -2.791  -4.991   2.090
  428    HA   ALA  55           HA       ALA  55  -1.829  -7.256   3.637
  429    HB1  ALA  55           3HB      ALA  55  -4.778  -7.274   2.851
  430    HB2  ALA  55           1HB      ALA  55  -3.873  -8.553   3.684
  431    HB3  ALA  55           2HB      ALA  55  -4.190  -7.027   4.513
  432    H    ILE  56           H        ILE  56  -1.758  -9.226   2.345
  433    HA   ILE  56           HA       ILE  56  -2.410  -8.970  -0.530
  434    HB   ILE  56           HB       ILE  56   0.311  -9.917   0.465
  435   HG12  ILE  56          2HG1      ILE  56  -0.344  -7.456  -1.216
  436   HG13  ILE  56          3HG1      ILE  56   0.068  -7.414   0.500
  437   HG21  ILE  56          1HG2      ILE  56  -0.849  -9.694  -2.361
  438   HG22  ILE  56          2HG2      ILE  56   0.816 -10.184  -1.973
  439   HG23  ILE  56          3HG2      ILE  56  -0.535 -11.195  -1.497
  440   HD11  ILE  56          3HD1      ILE  56   2.005  -6.845  -0.669
  441   HD12  ILE  56          1HD1      ILE  56   2.260  -8.482  -0.020
  442   HD13  ILE  56          2HD1      ILE  56   1.905  -8.245  -1.746
  443    H    ASN  57           H        ASN  57  -3.270 -10.905  -1.227
  444    HA   ASN  57           HA       ASN  57  -4.342 -12.890  -1.062
  445    HB2  ASN  57           2HB      ASN  57  -1.675 -13.771   0.104
  446    HB3  ASN  57           3HB      ASN  57  -2.913 -14.854  -0.518
  447   HD21  ASN  57          2HD2      ASN  57  -0.146 -14.573  -1.444
  448   HD22  ASN  57          1HD2      ASN  57  -0.284 -14.279  -3.157
  449    H    GLY  58           H        GLY  58  -4.730 -11.093   1.214
  450    HA2  GLY  58           2HA      GLY  58  -6.135 -11.197   3.048
  451    HA3  GLY  58           3HA      GLY  58  -5.989 -12.958   3.084
  452    H    MET  59           H        MET  59  -2.814 -12.076   2.963
  453    HA   MET  59           HA       MET  59  -2.411 -12.267   5.863
  454    HB2  MET  59           2HB      MET  59  -0.427 -11.910   3.567
  455    HB3  MET  59           3HB      MET  59  -0.031 -12.116   5.266
  456    HG2  MET  59           2HG      MET  59  -1.154 -14.346   5.239
  457    HG3  MET  59           3HG      MET  59  -1.424 -14.151   3.499
  458    HE1  MET  59           3HE      MET  59   1.385 -16.888   3.643
  459    HE2  MET  59           1HE      MET  59   0.029 -16.676   4.773
  460    HE3  MET  59           2HE      MET  59  -0.227 -16.462   3.024
  461    H    ASP  60           H        ASP  60  -2.920 -10.442   6.913
  462    HA   ASP  60           HA       ASP  60  -2.699  -7.736   6.175
  463    HB2  ASP  60           2HB      ASP  60  -3.874  -8.468   8.164
  464    HB3  ASP  60           3HB      ASP  60  -2.395  -9.136   8.855
  465    H    VAL  61           H        VAL  61  -0.940  -6.650   5.509
  466    HA   VAL  61           HA       VAL  61   1.781  -7.618   5.979
  467    HB   VAL  61           HB       VAL  61   0.507  -5.360   4.454
  468   HG11  VAL  61          1HG1      VAL  61   2.650  -4.697   3.517
  469   HG12  VAL  61          2HG1      VAL  61   2.548  -4.358   5.236
  470   HG13  VAL  61          3HG1      VAL  61   3.493  -5.762   4.667
  471   HG21  VAL  61          3HG2      VAL  61   2.187  -7.689   3.489
  472   HG22  VAL  61          1HG2      VAL  61   0.412  -7.633   3.462
  473   HG23  VAL  61          2HG2      VAL  61   1.346  -6.492   2.484
  474    H    ASN  62           H        ASN  62   3.265  -6.712   7.200
  475    HA   ASN  62           HA       ASN  62   2.590  -4.521   9.099
  476    HB2  ASN  62           2HB      ASN  62   2.568  -6.561  10.416
  477    HB3  ASN  62           3HB      ASN  62   3.996  -7.183   9.571
  478   HD21  ASN  62          2HD2      ASN  62   5.531  -7.280  11.220
  479   HD22  ASN  62          1HD2      ASN  62   6.035  -5.889  12.146
  480    H    GLY  63           H        GLY  63   3.807  -2.902   8.278
  481    HA2  GLY  63           2HA      GLY  63   5.709  -1.721   7.606
  482    HA3  GLY  63           3HA      GLY  63   6.696  -3.135   7.987
  483    H    ARG  64           H        ARG  64   7.541  -4.194   6.277
  484    HA   ARG  64           HA       ARG  64   6.149  -4.085   3.640
  485    HB2  ARG  64           2HB      ARG  64   8.294  -4.154   2.537
  486    HB3  ARG  64           3HB      ARG  64   8.235  -2.756   3.611
  487    HG2  ARG  64           2HG      ARG  64   9.855  -3.609   5.048
  488    HG3  ARG  64           3HG      ARG  64   9.442  -5.292   4.702
  489    HD2  ARG  64           2HD      ARG  64  10.440  -5.110   2.455
  490    HD3  ARG  64           3HD      ARG  64  10.979  -3.463   2.845
  491    HE   ARG  64           HE       ARG  64  11.929  -4.942   4.938
  492   HH11  ARG  64          1HH1      ARG  64  12.378  -5.270   1.425
  493   HH12  ARG  64          2HH1      ARG  64  13.864  -6.130   1.574
  494   HH21  ARG  64          1HH2      ARG  64  13.835  -6.050   5.140
  495   HH22  ARG  64          2HH2      ARG  64  14.739  -6.572   3.759
  496    H    TYR  65           H        TYR  65   5.862  -6.035   5.930
  497    HA   TYR  65           HA       TYR  65   6.978  -8.475   4.626
  498    HB2  TYR  65           2HB      TYR  65   6.694  -7.947   7.604
  499    HB3  TYR  65           3HB      TYR  65   7.442  -9.335   6.835
  500    HD1  TYR  65           1HD      TYR  65   9.677  -9.091   5.679
  501    HD2  TYR  65           2HD      TYR  65   7.905  -5.855   7.912
  502    HE1  TYR  65           1HE      TYR  65  11.860  -7.909   5.715
  503    HE2  TYR  65           2HE      TYR  65  10.058  -4.620   7.853
  504    HH   TYR  65           HH       TYR  65  12.336  -4.748   7.331
  505    H    THR  66           H        THR  66   5.401 -10.211   4.486
  506    HA   THR  66           HA       THR  66   2.639  -9.472   4.948
  507    HB   THR  66           HB       THR  66   2.209 -11.881   4.459
  508    HG1  THR  66           1HG      THR  66   3.953 -13.195   3.921
  509   HG21  THR  66          3HG2      THR  66   2.492 -10.254   2.604
  510   HG22  THR  66          1HG2      THR  66   4.225 -10.676   2.517
  511   HG23  THR  66          2HG2      THR  66   2.986 -11.897   2.160
  512    H    ALA  67           H        ALA  67   1.247 -11.079   6.282
  513    HA   ALA  67           HA       ALA  67   1.832 -11.045   9.040
  514    HB1  ALA  67           3HB      ALA  67  -0.432 -11.404   8.056
  515    HB2  ALA  67           1HB      ALA  67   0.102 -12.990   7.441
  516    HB3  ALA  67           2HB      ALA  67  -0.009 -12.703   9.191
  517    H    ASP  68           H        ASP  68   2.480 -13.505   6.544
  518    HA   ASP  68           HA       ASP  68   3.599 -15.489   8.325
  519    HB2  ASP  68           2HB      ASP  68   2.706 -16.117   6.148
  520    HB3  ASP  68           3HB      ASP  68   3.874 -15.074   5.326
  521    H    GLY  69           H        GLY  69   4.956 -12.837   6.335
  522    HA2  GLY  69           2HA      GLY  69   6.699 -11.602   7.590
  523    HA3  GLY  69           3HA      GLY  69   7.573 -13.127   7.762
  524    H    LYS  70           H        LYS  70   6.209 -13.190   4.669
  525    HA   LYS  70           HA       LYS  70   8.753 -13.021   3.377
  526    HB2  LYS  70           2HB      LYS  70   5.929 -12.796   2.223
  527    HB3  LYS  70           3HB      LYS  70   7.394 -13.122   1.300
  528    HG2  LYS  70           2HG      LYS  70   6.326 -14.971   3.477
  529    HG3  LYS  70           3HG      LYS  70   5.952 -15.129   1.765
  530    HD2  LYS  70           2HD      LYS  70   8.311 -15.421   1.205
  531    HD3  LYS  70           3HD      LYS  70   8.792 -15.239   2.899
  532    HE2  LYS  70           2HE      LYS  70   6.781 -17.333   2.016
  533    HE3  LYS  70           3HE      LYS  70   8.523 -17.626   1.881
  534    HZ1  LYS  70           3HZ      LYS  70   7.055 -17.074   4.403
  535    HZ2  LYS  70           1HZ      LYS  70   7.697 -18.499   3.938
  536    HZ3  LYS  70           2HZ      LYS  70   8.689 -17.254   4.284
  537    H    GLU  71           H        GLU  71   9.823 -11.298   2.498
  538    HA   GLU  71           HA       GLU  71   9.020  -8.591   2.862
  539    HB2  GLU  71           2HB      GLU  71  10.974  -9.851   0.865
  540    HB3  GLU  71           3HB      GLU  71  10.786  -8.130   1.162
  541    HG2  GLU  71           2HG      GLU  71  12.691  -8.767   2.368
  542    HG3  GLU  71           3HG      GLU  71  11.418  -8.477   3.544
  543    H    VAL  72           H        VAL  72   7.428  -7.543   1.808
  544    HA   VAL  72           HA       VAL  72   5.650  -8.776   0.106
  545    HB   VAL  72           HB       VAL  72   6.261  -5.919   0.860
  546   HG11  VAL  72          1HG1      VAL  72   4.032  -5.255  -0.174
  547   HG12  VAL  72          2HG1      VAL  72   5.376  -5.484  -1.298
  548   HG13  VAL  72          3HG1      VAL  72   4.153  -6.746  -1.146
  549   HG21  VAL  72          3HG2      VAL  72   5.209  -7.496   2.491
  550   HG22  VAL  72          1HG2      VAL  72   4.171  -6.116   2.096
  551   HG23  VAL  72          2HG2      VAL  72   3.855  -7.709   1.383
  552    H    LEU  73           H        LEU  73   8.372  -6.629  -0.906
  553    HA   LEU  73           HA       LEU  73   7.470  -6.557  -3.627
  554    HB2  LEU  73           2HB      LEU  73  10.251  -6.058  -2.487
  555    HB3  LEU  73           3HB      LEU  73   9.751  -5.690  -4.136
  556    HG   LEU  73           HG       LEU  73   8.592  -4.420  -1.616
  557   HD11  LEU  73          1HD1      LEU  73  10.411  -3.256  -3.764
  558   HD12  LEU  73          2HD1      LEU  73   9.738  -2.386  -2.366
  559   HD13  LEU  73          3HD1      LEU  73  10.896  -3.699  -2.112
  560   HD21  LEU  73          3HD2      LEU  73   7.997  -3.837  -4.551
  561   HD22  LEU  73          1HD2      LEU  73   6.854  -4.455  -3.335
  562   HD23  LEU  73          2HD2      LEU  73   7.493  -2.819  -3.187
  563    H    GLU  74           H        GLU  74   9.669  -8.781  -1.892
  564    HA   GLU  74           HA       GLU  74  10.443 -10.189  -4.334
  565    HB2  GLU  74           2HB      GLU  74  10.745 -10.888  -1.378
  566    HB3  GLU  74           3HB      GLU  74  11.368 -11.860  -2.719
  567    HG2  GLU  74           2HG      GLU  74  12.697  -9.876  -3.501
  568    HG3  GLU  74           3HG      GLU  74  12.160  -8.986  -2.076
  569    H    TYR  75           H        TYR  75   8.033 -10.599  -1.722
  570    HA   TYR  75           HA       TYR  75   7.040 -13.136  -2.416
  571    HB2  TYR  75           2HB      TYR  75   6.544 -11.844  -0.340
  572    HB3  TYR  75           3HB      TYR  75   5.579 -10.721  -1.269
  573    HD1  TYR  75           2HD      TYR  75   5.813 -14.459  -0.750
  574    HD2  TYR  75           1HD      TYR  75   3.266 -10.990  -1.099
  575    HE1  TYR  75           2HE      TYR  75   3.842 -15.871  -0.281
  576    HE2  TYR  75           1HE      TYR  75   1.286 -12.400  -0.616
  577    HH   TYR  75           HH       TYR  75   1.522 -15.928  -0.002
  578    H    LEU  76           H        LEU  76   6.087  -9.877  -3.596
  579    HA   LEU  76           HA       LEU  76   4.102 -10.904  -5.463
  580    HB2  LEU  76           2HB      LEU  76   5.512  -8.216  -5.144
  581    HB3  LEU  76           3HB      LEU  76   4.255  -8.514  -6.341
  582    HG   LEU  76           HG       LEU  76   3.824  -8.824  -3.330
  583   HD11  LEU  76          1HD1      LEU  76   4.306  -6.492  -3.921
  584   HD12  LEU  76          2HD1      LEU  76   3.075  -6.546  -5.206
  585   HD13  LEU  76          3HD1      LEU  76   2.599  -6.682  -3.500
  586   HD21  LEU  76          3HD2      LEU  76   1.927  -8.848  -5.699
  587   HD22  LEU  76          1HD2      LEU  76   2.250 -10.180  -4.565
  588   HD23  LEU  76          2HD2      LEU  76   1.403  -8.735  -4.007
  589    H    GLY  77           H        GLY  77   7.551  -9.971  -5.652
  590    HA2  GLY  77           2HA      GLY  77   7.819  -9.989  -8.460
  591    HA3  GLY  77           3HA      GLY  77   9.107 -10.265  -7.276
  592    H    ASN  78           H        ASN  78   7.935 -12.670  -6.103
  593    HA   ASN  78           HA       ASN  78   8.972 -14.726  -7.736
  594    HB2  ASN  78           2HB      ASN  78   8.707 -14.927  -5.315
  595    HB3  ASN  78           3HB      ASN  78   6.951 -14.800  -5.461
  596   HD21  ASN  78          2HD2      ASN  78   7.379 -16.917  -4.117
  597   HD22  ASN  78          1HD2      ASN  78   7.442 -18.383  -5.057
  598    HA   PRO  79           HA       PRO  79   5.378 -14.710 -10.443
  599    HB2  PRO  79           2HB      PRO  79   6.153 -16.371 -12.447
  600    HB3  PRO  79           3HB      PRO  79   6.774 -14.705 -12.224
  601    HG2  PRO  79           2HG      PRO  79   8.048 -17.313 -11.297
  602    HG3  PRO  79           3HG      PRO  79   8.826 -15.970 -12.194
  603    HD2  PRO  79           2HD      PRO  79   9.012 -16.215  -9.476
  604    HD3  PRO  79           3HD      PRO  79   8.920 -14.617 -10.271
  605    H    ALA  80           H        ALA  80   6.508 -17.496  -8.681
  606    HA   ALA  80           HA       ALA  80   4.306 -19.249  -9.318
  607    HB1  ALA  80           3HB      ALA  80   5.822 -18.957  -6.688
  608    HB2  ALA  80           1HB      ALA  80   4.879 -20.357  -7.221
  609    HB3  ALA  80           2HB      ALA  80   6.382 -19.939  -8.069
  610    H    ASN  81           H        ASN  81   4.492 -16.205  -7.755
  611    HA   ASN  81           HA       ASN  81   1.752 -16.358  -6.641
  612    HB2  ASN  81           2HB      ASN  81   3.472 -16.634  -4.850
  613    HB3  ASN  81           3HB      ASN  81   4.252 -15.147  -5.393
  614   HD21  ASN  81          2HD2      ASN  81   3.886 -13.634  -3.899
  615   HD22  ASN  81          1HD2      ASN  81   2.401 -13.384  -2.997
  616    H    TYR  82           H        TYR  82   2.725 -15.455  -9.285
  617    HA   TYR  82           HA       TYR  82   2.696 -12.560  -9.294
  618    HB2  TYR  82           2HB      TYR  82   2.528 -14.743 -11.338
  619    HB3  TYR  82           3HB      TYR  82   1.674 -13.276 -11.731
  620    HD1  TYR  82           2HD      TYR  82   4.684 -12.386  -9.850
  621    HD2  TYR  82           1HD      TYR  82   3.180 -13.558 -13.735
  622    HE1  TYR  82           2HE      TYR  82   6.617 -11.335 -10.913
  623    HE2  TYR  82           1HE      TYR  82   5.133 -12.505 -14.804
  624    HH   TYR  82           HH       TYR  82   7.713 -10.847 -12.918
  625    HA   PRO  83           HA       PRO  83  -1.973 -12.826  -9.943
  626    HB2  PRO  83           2HB      PRO  83  -3.406 -15.115  -9.474
  627    HB3  PRO  83           3HB      PRO  83  -2.717 -14.681 -11.066
  628    HG2  PRO  83           2HG      PRO  83  -1.566 -16.557  -8.987
  629    HG3  PRO  83           3HG      PRO  83  -1.701 -16.804 -10.756
  630    HD2  PRO  83           2HD      PRO  83   0.599 -15.972  -9.567
  631    HD3  PRO  83           3HD      PRO  83   0.125 -15.388 -11.188
  632    H    VAL  84           H        VAL  84  -2.735 -11.717  -8.183
  633    HA   VAL  84           HA       VAL  84  -2.816 -12.953  -5.497
  634    HB   VAL  84           HB       VAL  84  -1.606 -10.961  -4.560
  635   HG11  VAL  84          1HG1      VAL  84   0.616 -11.749  -4.920
  636   HG12  VAL  84          2HG1      VAL  84  -0.472 -13.146  -4.920
  637   HG13  VAL  84          3HG1      VAL  84   0.154 -12.511  -6.452
  638   HG21  VAL  84          3HG2      VAL  84  -0.746 -10.382  -7.432
  639   HG22  VAL  84          1HG2      VAL  84  -1.853  -9.386  -6.472
  640   HG23  VAL  84          2HG2      VAL  84  -0.178  -9.576  -5.968
  641    H    SER  85           H        SER  85  -3.831 -11.507  -3.922
  642    HA   SER  85           HA       SER  85  -5.556  -9.378  -5.081
  643    HB2  SER  85           2HB      SER  85  -6.223 -11.257  -2.791
  644    HB3  SER  85           3HB      SER  85  -7.220  -9.899  -3.353
  645    HG   SER  85           HG       SER  85  -7.567 -10.938  -5.281
  646    H    ILE  86           H        ILE  86  -5.509  -7.444  -3.867
  647    HA   ILE  86           HA       ILE  86  -3.543  -7.328  -1.644
  648    HB   ILE  86           HB       ILE  86  -3.475  -5.522  -4.102
  649   HG12  ILE  86          2HG1      ILE  86  -1.655  -7.816  -3.278
  650   HG13  ILE  86          3HG1      ILE  86  -2.606  -7.676  -4.756
  651   HG21  ILE  86          1HG2      ILE  86  -2.802  -4.384  -1.974
  652   HG22  ILE  86          2HG2      ILE  86  -1.593  -5.645  -1.699
  653   HG23  ILE  86          3HG2      ILE  86  -1.455  -4.535  -3.078
  654   HD11  ILE  86          3HD1      ILE  86  -0.347  -7.281  -5.353
  655   HD12  ILE  86          1HD1      ILE  86  -1.153  -5.701  -5.406
  656   HD13  ILE  86          2HD1      ILE  86  -0.100  -6.136  -4.032
  657    H    ARG  87           H        ARG  87  -4.044  -5.805  -0.161
  658    HA   ARG  87           HA       ARG  87  -6.424  -4.061  -0.603
  659    HB2  ARG  87           2HB      ARG  87  -6.716  -5.975   1.096
  660    HB3  ARG  87           3HB      ARG  87  -5.455  -5.192   2.058
  661    HG2  ARG  87           2HG      ARG  87  -6.869  -3.124   2.176
  662    HG3  ARG  87           3HG      ARG  87  -8.120  -3.962   1.237
  663    HD2  ARG  87           2HD      ARG  87  -8.222  -5.722   3.038
  664    HD3  ARG  87           3HD      ARG  87  -7.053  -4.783   3.970
  665    HE   ARG  87           HE       ARG  87  -8.663  -3.175   4.467
  666   HH11  ARG  87          1HH1      ARG  87 -10.116  -5.542   2.165
  667   HH12  ARG  87          2HH1      ARG  87 -11.714  -4.944   2.459
  668   HH21  ARG  87          1HH2      ARG  87 -10.630  -2.466   4.789
  669   HH22  ARG  87          2HH2      ARG  87 -12.054  -3.133   4.010
  670    H    PHE  88           H        PHE  88  -6.006  -1.897  -0.182
  671    HA   PHE  88           HA       PHE  88  -3.470  -1.068   1.047
  672    HB2  PHE  88           2HB      PHE  88  -3.024   0.425  -0.978
  673    HB3  PHE  88           3HB      PHE  88  -2.698  -1.282  -1.191
  674    HD1  PHE  88           2HD      PHE  88  -5.374   1.301  -1.827
  675    HD2  PHE  88           1HD      PHE  88  -3.572  -2.429  -3.050
  676    HE1  PHE  88           2HE      PHE  88  -6.947   1.160  -3.736
  677    HE2  PHE  88           1HE      PHE  88  -5.168  -2.572  -4.940
  678    HZ   PHE  88           HZ       PHE  88  -6.873  -0.794  -5.274
  679    H    GLY  89           H        GLY  89  -3.497   1.387   1.340
  680    HA2  GLY  89           2HA      GLY  89  -5.890   2.903   0.980
  681    HA3  GLY  89           3HA      GLY  89  -5.915   2.122   2.569
  682    H    ARG  90           H        ARG  90  -5.967   4.468   3.204
  683    HA   ARG  90           HA       ARG  90  -3.569   6.049   3.043
  684    HB2  ARG  90           2HB      ARG  90  -5.683   6.015   5.248
  685    HB3  ARG  90           3HB      ARG  90  -4.484   7.270   4.982
  686    HG2  ARG  90           2HG      ARG  90  -6.904   6.600   3.280
  687    HG3  ARG  90           3HG      ARG  90  -6.562   8.092   4.141
  688    HD2  ARG  90           2HD      ARG  90  -5.175   7.043   1.652
  689    HD3  ARG  90           3HD      ARG  90  -6.279   8.416   1.743
  690    HE   ARG  90           HE       ARG  90  -4.353   9.203   3.459
  691   HH11  ARG  90          1HH1      ARG  90  -4.185   8.022   0.098
  692   HH12  ARG  90          2HH1      ARG  90  -2.695   8.830  -0.241
  693   HH21  ARG  90          1HH2      ARG  90  -2.374  10.270   2.984
  694   HH22  ARG  90          2HH2      ARG  90  -1.660  10.145   1.425
  695    HA   PRO  91           HA       PRO  91  -0.790   3.744   5.639
  696    HB2  PRO  91           2HB      PRO  91  -0.199   6.441   6.878
  697    HB3  PRO  91           3HB      PRO  91   0.951   5.162   6.372
  698    HG2  PRO  91           2HG      PRO  91   0.519   7.307   4.777
  699    HG3  PRO  91           3HG      PRO  91   0.604   5.666   4.060
  700    HD2  PRO  91           2HD      PRO  91  -1.845   7.319   4.690
  701    HD3  PRO  91           3HD      PRO  91  -1.491   6.291   3.265
  702    H    ARG  92           H        ARG  92  -0.304   3.202   7.915
  703    HA   ARG  92           HA       ARG  92  -2.217   4.031   9.967
  704    HB2  ARG  92           2HB      ARG  92  -2.780   1.752   8.327
  705    HB3  ARG  92           3HB      ARG  92  -2.044   1.075   9.754
  706    HG2  ARG  92           2HG      ARG  92  -4.430   1.095  10.031
  707    HG3  ARG  92           3HG      ARG  92  -3.730   2.224  11.186
  708    HD2  ARG  92           2HD      ARG  92  -5.807   3.101  10.130
  709    HD3  ARG  92           3HD      ARG  92  -4.418   4.133   9.830
  710    HE   ARG  92           HE       ARG  92  -4.459   3.665   7.592
  711   HH11  ARG  92          1HH1      ARG  92  -6.823   1.462   9.184
  712   HH12  ARG  92          2HH1      ARG  92  -7.425   0.890   7.635
  713   HH21  ARG  92          1HH2      ARG  92  -5.323   2.802   5.657
  714   HH22  ARG  92          2HH2      ARG  92  -6.662   1.641   5.740
  715    H    LEU  93           H        LEU  93  -1.610   2.752  12.058
  716    HA   LEU  93           HA       LEU  93   1.295   2.777  12.424
  717    HB2  LEU  93           2HB      LEU  93  -0.971   1.752  14.198
  718    HB3  LEU  93           3HB      LEU  93   0.724   1.810  14.669
  719    HG   LEU  93           HG       LEU  93  -1.006   4.235  14.016
  720   HD11  LEU  93          1HD1      LEU  93  -0.860   4.701  16.425
  721   HD12  LEU  93          2HD1      LEU  93  -1.612   3.126  16.135
  722   HD13  LEU  93          3HD1      LEU  93   0.079   3.212  16.676
  723   HD21  LEU  93          3HD2      LEU  93   1.320   4.742  13.452
  724   HD22  LEU  93          1HD2      LEU  93   0.896   5.556  14.955
  725   HD23  LEU  93          2HD2      LEU  93   1.879   4.076  15.004
  726    H    THR  94           H        THR  94   2.574   0.896  12.833
  727    HA   THR  94           HA       THR  94   1.447  -1.752  12.185
  728    HB   THR  94           HB       THR  94   3.628  -2.074  10.784
  729    HG1  THR  94           1HG      THR  94   4.538  -0.020  11.219
  730   HG21  THR  94          3HG2      THR  94   1.362  -2.105   9.780
  731   HG22  THR  94          1HG2      THR  94   1.410  -0.335   9.627
  732   HG23  THR  94          2HG2      THR  94   2.551  -1.335   8.712
  733    H    SER  95           H        SER  95   2.895  -3.498  12.980
  734    HA   SER  95           HA       SER  95   3.980  -2.877  15.565
  735    HB2  SER  95           2HB      SER  95   4.303  -5.417  13.924
  736    HB3  SER  95           3HB      SER  95   4.421  -5.246  15.682
  737    HG   SER  95           HG       SER  95   2.384  -6.064  15.031
  738    H    ASN  96           H        ASN  96   5.328  -3.196  12.335
  739    HA   ASN  96           HA       ASN  96   8.092  -3.451  12.791
  740    HB2  ASN  96           2HB      ASN  96   7.181  -3.489  10.546
  741    HB3  ASN  96           3HB      ASN  96   6.536  -1.851  10.717
  742   HD21  ASN  96          2HD2      ASN  96   8.177  -0.099  11.145
  743   HD22  ASN  96          1HD2      ASN  96   9.751  -0.208  10.358
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1 -32.342  -5.725  -5.135
    2    H2   MET   1           H2       MET   1 -31.302  -6.386  -4.060
    3    H3   MET   1           H3       MET   1 -32.203  -7.352  -5.031
    4    HA   MET   1           HA       MET   1 -34.224  -6.635  -4.022
    5    HB2  MET   1           2HB      MET   1 -33.110  -8.639  -3.113
    6    HB3  MET   1           3HB      MET   1 -32.234  -7.647  -1.947
    7    HG2  MET   1           2HG      MET   1 -34.171  -8.714  -0.924
    8    HG3  MET   1           3HG      MET   1 -34.363  -6.966  -0.905
    9    HE1  MET   1           3HE      MET   1 -36.905  -7.235  -0.266
   10    HE2  MET   1           1HE      MET   1 -38.052  -8.257  -1.161
   11    HE3  MET   1           2HE      MET   1 -36.707  -9.004  -0.271
   12    H    GLY   2           H        GLY   2 -31.793  -5.582  -1.509
   13    HA2  GLY   2           2HA      GLY   2 -32.293  -2.809  -1.692
   14    HA3  GLY   2           3HA      GLY   2 -33.408  -3.515  -0.506
   15    H    HIS   3           H        HIS   3 -31.815  -1.843   0.635
   16    HA   HIS   3           HA       HIS   3 -30.088  -1.335   1.961
   17    HB2  HIS   3           2HB      HIS   3 -31.549  -2.885   3.310
   18    HB3  HIS   3           3HB      HIS   3 -30.386  -4.170   2.997
   19    HD1  HIS   3           1HD      HIS   3 -30.505  -0.669   4.709
   20    HD2  HIS   3           2HD      HIS   3 -28.313  -4.265   4.636
   21    HE1  HIS   3           1HE      HIS   3 -28.808  -0.510   6.597
   22    H    HIS   4           H        HIS   4 -29.094  -1.698  -0.451
   23    HA   HIS   4           HA       HIS   4 -26.942  -3.564  -0.724
   24    HB2  HIS   4           2HB      HIS   4 -28.094  -2.249  -2.557
   25    HB3  HIS   4           3HB      HIS   4 -27.259  -0.806  -1.985
   26    HD1  HIS   4           1HD      HIS   4 -24.534  -0.771  -2.454
   27    HD2  HIS   4           2HD      HIS   4 -26.726  -4.025  -3.995
   28    HE1  HIS   4           1HE      HIS   4 -23.026  -1.907  -4.164
   29    H    HIS   5           H        HIS   5 -24.623  -3.029  -0.646
   30    HA   HIS   5           HA       HIS   5 -23.717  -1.694   1.705
   31    HB2  HIS   5           2HB      HIS   5 -22.431  -3.452   0.542
   32    HB3  HIS   5           3HB      HIS   5 -22.245  -2.404  -0.868
   33    HD1  HIS   5           1HD      HIS   5 -21.268  -2.250   2.923
   34    HD2  HIS   5           2HD      HIS   5 -20.062  -0.991  -0.913
   35    HE1  HIS   5           1HE      HIS   5 -19.073  -1.006   3.235
   36    H    HIS   6           H        HIS   6 -22.677   0.337   1.938
   37    HA   HIS   6           HA       HIS   6 -22.824   2.377  -0.130
   38    HB2  HIS   6           2HB      HIS   6 -24.334   3.813   1.298
   39    HB3  HIS   6           3HB      HIS   6 -25.127   2.446   0.540
   40    HD1  HIS   6           1HD      HIS   6 -25.938   0.427   2.202
   41    HD2  HIS   6           2HD      HIS   6 -24.297   3.873   3.994
   42    HE1  HIS   6           1HE      HIS   6 -26.510   0.293   4.681
   43    H    HIS   7           H        HIS   7 -22.046   4.492   0.874
   44    HA   HIS   7           HA       HIS   7 -19.546   4.098   2.112
   45    HB2  HIS   7           2HB      HIS   7 -19.545   6.585   2.331
   46    HB3  HIS   7           3HB      HIS   7 -19.933   5.999   0.721
   47    HD1  HIS   7           1HD      HIS   7 -22.726   6.197   3.368
   48    HD2  HIS   7           2HD      HIS   7 -21.192   8.252   0.029
   49    HE1  HIS   7           1HE      HIS   7 -24.469   7.959   2.747
   50    H    HIS   8           H        HIS   8 -18.758   4.821   4.172
   51    HA   HIS   8           HA       HIS   8 -20.679   5.103   6.404
   52    HB2  HIS   8           2HB      HIS   8 -18.350   3.129   6.275
   53    HB3  HIS   8           3HB      HIS   8 -19.175   3.585   7.755
   54    HD1  HIS   8           1HD      HIS   8 -21.918   3.149   5.380
   55    HD2  HIS   8           2HD      HIS   8 -19.276   0.669   7.517
   56    HE1  HIS   8           1HE      HIS   8 -23.038   0.866   5.520
   57    H    LEU   9           H        LEU   9 -19.312   5.815   8.391
   58    HA   LEU   9           HA       LEU   9 -17.108   7.616   7.564
   59    HB2  LEU   9           2HB      LEU   9 -19.298   8.790   7.784
   60    HB3  LEU   9           3HB      LEU   9 -19.407   8.248   9.457
   61    HG   LEU   9           HG       LEU   9 -17.442   9.625  10.064
   62   HD11  LEU   9          1HD1      LEU   9 -16.470  11.210   8.401
   63   HD12  LEU   9          2HD1      LEU   9 -16.104   9.527   8.034
   64   HD13  LEU   9          3HD1      LEU   9 -17.369  10.376   7.113
   65   HD21  LEU   9          3HD2      LEU   9 -18.444  11.825   9.712
   66   HD22  LEU   9          1HD2      LEU   9 -19.476  11.175   8.417
   67   HD23  LEU   9          2HD2      LEU   9 -19.691  10.628  10.094
   68    H    ASP  10           H        ASP  10 -16.392   5.281   8.261
   69    HA   ASP  10           HA       ASP  10 -16.193   4.608  11.018
   70    HB2  ASP  10           2HB      ASP  10 -15.866   2.985   9.210
   71    HB3  ASP  10           3HB      ASP  10 -14.422   3.845   8.668
   72    H    SER  11           H        SER  11 -14.234   6.727   9.002
   73    HA   SER  11           HA       SER  11 -13.008   7.926  11.323
   74    HB2  SER  11           2HB      SER  11 -10.689   7.747  10.407
   75    HB3  SER  11           3HB      SER  11 -11.336   6.196  10.941
   76    HG   SER  11           HG       SER  11 -11.631   5.566   8.877
   77    H    TYR  12           H        TYR  12 -11.966  10.032  10.604
   78    HA   TYR  12           HA       TYR  12 -13.752  11.400   8.957
   79    HB2  TYR  12           2HB      TYR  12 -12.241  13.309   9.154
   80    HB3  TYR  12           3HB      TYR  12 -12.488  12.505  10.690
   81    HD1  TYR  12           2HD      TYR  12 -10.633  11.112  11.718
   82    HD2  TYR  12           1HD      TYR  12 -10.034  13.507   8.175
   83    HE1  TYR  12           2HE      TYR  12  -8.191  10.888  11.988
   84    HE2  TYR  12           1HE      TYR  12  -7.584  13.304   8.451
   85    HH   TYR  12           HH       TYR  12  -6.089  11.440  11.140
   86    H    ALA  13           H        ALA  13 -10.475  10.300   8.131
   87    HA   ALA  13           HA       ALA  13 -11.137  10.367   5.249
   88    HB1  ALA  13           3HB      ALA  13 -10.150  12.568   5.789
   89    HB2  ALA  13           1HB      ALA  13  -8.700  11.756   6.435
   90    HB3  ALA  13           2HB      ALA  13  -9.110  11.618   4.715
   91    HA   PRO  14           HA       PRO  14  -7.369   7.393   6.118
   92    HB2  PRO  14           2HB      PRO  14  -8.606   6.159   8.580
   93    HB3  PRO  14           3HB      PRO  14  -6.889   6.197   8.077
   94    HG2  PRO  14           2HG      PRO  14  -7.797   7.957   9.926
   95    HG3  PRO  14           3HG      PRO  14  -6.693   8.512   8.625
   96    HD2  PRO  14           2HD      PRO  14  -9.688   8.807   8.805
   97    HD3  PRO  14           3HD      PRO  14  -8.463   9.995   8.266
   98    H    ARG  15           H        ARG  15 -10.824   7.051   6.255
   99    HA   ARG  15           HA       ARG  15 -11.304   4.406   5.461
  100    HB2  ARG  15           2HB      ARG  15 -12.528   7.041   4.520
  101    HB3  ARG  15           3HB      ARG  15 -13.151   5.463   4.038
  102    HG2  ARG  15           2HG      ARG  15 -13.660   4.871   6.344
  103    HG3  ARG  15           3HG      ARG  15 -12.976   6.396   6.932
  104    HD2  ARG  15           2HD      ARG  15 -15.277   6.244   4.940
  105    HD3  ARG  15           3HD      ARG  15 -15.507   6.329   6.688
  106    HE   ARG  15           HE       ARG  15 -14.032   8.456   6.503
  107   HH11  ARG  15          1HH1      ARG  15 -16.898   7.598   4.656
  108   HH12  ARG  15          2HH1      ARG  15 -17.069   9.143   3.888
  109   HH21  ARG  15          1HH2      ARG  15 -14.286  10.570   5.611
  110   HH22  ARG  15          2HH2      ARG  15 -15.601  10.898   4.540
  111    H    ALA  16           H        ALA  16 -10.637   3.219   3.766
  112    HA   ALA  16           HA       ALA  16 -10.706   4.128   1.096
  113    HB1  ALA  16           3HB      ALA  16  -7.913   3.734   2.245
  114    HB2  ALA  16           1HB      ALA  16  -8.292   3.598   0.507
  115    HB3  ALA  16           2HB      ALA  16  -8.543   5.130   1.346
  116    H    GLU  17           H        GLU  17  -8.441   1.799   2.491
  117    HA   GLU  17           HA       GLU  17  -8.102  -0.377   1.939
  118    HB2  GLU  17           2HB      GLU  17 -10.654  -0.344   3.562
  119    HB3  GLU  17           3HB      GLU  17  -9.856  -1.855   3.095
  120    HG2  GLU  17           2HG      GLU  17  -7.728  -1.067   4.108
  121    HG3  GLU  17           3HG      GLU  17  -8.529   0.414   4.628
  122    H    ALA  18           H        ALA  18  -8.509   0.551  -0.348
  123    HA   ALA  18           HA       ALA  18 -10.674  -0.694  -1.885
  124    HB1  ALA  18           3HB      ALA  18  -9.571   1.366  -2.715
  125    HB2  ALA  18           1HB      ALA  18  -7.995   0.537  -2.695
  126    HB3  ALA  18           2HB      ALA  18  -9.264   0.006  -3.817
  127    H    GLU  19           H        GLU  19 -10.391  -2.673  -3.083
  128    HA   GLU  19           HA       GLU  19  -7.934  -4.218  -2.631
  129    HB2  GLU  19           2HB      GLU  19  -9.433  -4.664  -0.686
  130    HB3  GLU  19           3HB      GLU  19 -10.716  -5.154  -1.797
  131    HG2  GLU  19           2HG      GLU  19  -9.243  -7.015  -2.616
  132    HG3  GLU  19           3HG      GLU  19  -8.014  -6.526  -1.448
  133    H    LYS  20           H        LYS  20  -7.523  -5.625  -4.360
  134    HA   LYS  20           HA       LYS  20  -9.638  -6.343  -6.223
  135    HB2  LYS  20           2HB      LYS  20  -8.018  -3.973  -6.732
  136    HB3  LYS  20           3HB      LYS  20  -7.566  -5.193  -7.897
  137    HG2  LYS  20           2HG      LYS  20 -10.431  -4.291  -7.362
  138    HG3  LYS  20           3HG      LYS  20  -9.404  -3.631  -8.625
  139    HD2  LYS  20           2HD      LYS  20 -10.226  -6.565  -8.466
  140    HD3  LYS  20           3HD      LYS  20 -11.061  -5.338  -9.418
  141    HE2  LYS  20           2HE      LYS  20  -9.144  -4.939 -10.815
  142    HE3  LYS  20           3HE      LYS  20  -8.094  -5.903  -9.777
  143    HZ1  LYS  20           3HZ      LYS  20  -9.317  -7.876 -10.410
  144    HZ2  LYS  20           1HZ      LYS  20 -10.336  -7.003 -11.364
  145    HZ3  LYS  20           2HZ      LYS  20  -8.751  -7.121 -11.738
  146    H    THR  21           H        THR  21  -8.907  -7.875  -7.827
  147    HA   THR  21           HA       THR  21  -6.677  -9.587  -7.092
  148    HB   THR  21           HB       THR  21  -7.578 -10.712  -9.269
  149    HG1  THR  21           1HG      THR  21  -9.720 -10.092  -9.754
  150   HG21  THR  21          3HG2      THR  21  -9.489 -11.709  -8.056
  151   HG22  THR  21          1HG2      THR  21  -8.073 -11.556  -7.007
  152   HG23  THR  21          2HG2      THR  21  -9.419 -10.405  -6.847
  153    H    PHE  22           H        PHE  22  -4.760  -9.799  -8.355
  154    HA   PHE  22           HA       PHE  22  -4.400  -8.071 -10.717
  155    HB2  PHE  22           2HB      PHE  22  -2.597  -7.961  -8.260
  156    HB3  PHE  22           3HB      PHE  22  -2.245  -7.235  -9.814
  157    HD1  PHE  22           1HD      PHE  22  -3.601  -5.294 -10.670
  158    HD2  PHE  22           2HD      PHE  22  -4.038  -6.829  -6.661
  159    HE1  PHE  22           1HE      PHE  22  -4.695  -3.181  -9.977
  160    HE2  PHE  22           2HE      PHE  22  -5.125  -4.712  -5.970
  161    HZ   PHE  22           HZ       PHE  22  -5.458  -2.883  -7.621
  162    H    SER  23           H        SER  23  -2.240  -8.545 -11.715
  163    HA   SER  23           HA       SER  23  -0.993 -11.124 -11.093
  164    HB2  SER  23           2HB      SER  23  -1.929 -10.338 -13.888
  165    HB3  SER  23           3HB      SER  23  -0.976 -11.771 -13.467
  166    HG   SER  23           HG       SER  23  -3.223 -12.215 -13.697
  167    H    TYR  24           H        TYR  24   1.213 -11.150 -12.437
  168    HA   TYR  24           HA       TYR  24   2.322  -8.465 -12.014
  169    HB2  TYR  24           2HB      TYR  24   3.122 -10.902 -11.124
  170    HB3  TYR  24           3HB      TYR  24   4.073 -10.774 -12.598
  171    HD1  TYR  24           2HD      TYR  24   3.085  -8.666  -9.646
  172    HD2  TYR  24           1HD      TYR  24   6.257  -9.942 -12.277
  173    HE1  TYR  24           2HE      TYR  24   4.683  -7.286  -8.369
  174    HE2  TYR  24           1HE      TYR  24   7.871  -8.569 -11.000
  175    HH   TYR  24           HH       TYR  24   6.908  -6.584  -8.159
  176    HA   PRO  25           HA       PRO  25   4.555  -7.445 -12.817
  177    HB2  PRO  25           2HB      PRO  25   4.872  -5.185 -14.305
  178    HB3  PRO  25           3HB      PRO  25   5.878  -6.656 -14.499
  179    HG2  PRO  25           2HG      PRO  25   3.466  -5.826 -16.139
  180    HG3  PRO  25           3HG      PRO  25   5.062  -6.399 -16.723
  181    HD2  PRO  25           2HD      PRO  25   2.919  -8.071 -16.497
  182    HD3  PRO  25           3HD      PRO  25   4.576  -8.634 -16.139
  183    H    LEU  26           H        LEU  26   3.709  -6.173 -11.270
  184    HA   LEU  26           HA       LEU  26   0.896  -5.996 -11.166
  185    HB2  LEU  26           2HB      LEU  26   2.334  -6.432  -9.235
  186    HB3  LEU  26           3HB      LEU  26   3.055  -4.824  -9.370
  187    HG   LEU  26           HG       LEU  26   0.907  -3.793  -8.814
  188   HD11  LEU  26          1HD1      LEU  26  -0.995  -5.163  -7.988
  189   HD12  LEU  26          2HD1      LEU  26  -0.706  -5.407  -9.705
  190   HD13  LEU  26          3HD1      LEU  26  -0.156  -6.629  -8.537
  191   HD21  LEU  26          3HD2      LEU  26   2.502  -4.462  -7.019
  192   HD22  LEU  26          1HD2      LEU  26   0.826  -4.461  -6.466
  193   HD23  LEU  26          2HD2      LEU  26   1.626  -6.003  -6.847
  194    H    ASP  27           H        ASP  27  -0.454  -4.492 -11.934
  195    HA   ASP  27           HA       ASP  27   0.258  -2.010 -13.107
  196    HB2  ASP  27           2HB      ASP  27  -1.808  -3.101 -13.689
  197    HB3  ASP  27           3HB      ASP  27  -2.349  -3.121 -12.009
  198    H    LEU  28           H        LEU  28  -0.960  -2.799  -9.858
  199    HA   LEU  28           HA       LEU  28  -0.759  -0.083  -8.798
  200    HB2  LEU  28           2HB      LEU  28  -2.411  -1.877  -8.012
  201    HB3  LEU  28           3HB      LEU  28  -1.042  -2.776  -7.393
  202    HG   LEU  28           HG       LEU  28  -0.518  -0.507  -6.062
  203   HD11  LEU  28          1HD1      LEU  28  -3.508  -0.272  -6.558
  204   HD12  LEU  28          2HD1      LEU  28  -2.547   0.714  -5.452
  205   HD13  LEU  28          3HD1      LEU  28  -2.260   0.833  -7.195
  206   HD21  LEU  28          3HD2      LEU  28  -1.034  -2.655  -5.020
  207   HD22  LEU  28          1HD2      LEU  28  -1.885  -1.340  -4.198
  208   HD23  LEU  28          2HD2      LEU  28  -2.767  -2.412  -5.318
  209    H    LEU  29           H        LEU  29   1.600  -0.264  -9.915
  210    HA   LEU  29           HA       LEU  29   3.617  -1.873  -8.838
  211    HB2  LEU  29           2HB      LEU  29   3.791  -0.434 -10.895
  212    HB3  LEU  29           3HB      LEU  29   3.883   0.982  -9.840
  213    HG   LEU  29           HG       LEU  29   6.009   0.136  -8.867
  214   HD11  LEU  29          1HD1      LEU  29   5.773  -2.294  -9.213
  215   HD12  LEU  29          2HD1      LEU  29   5.751  -2.061 -10.974
  216   HD13  LEU  29          3HD1      LEU  29   7.217  -1.706 -10.034
  217   HD21  LEU  29          3HD2      LEU  29   7.396   0.602 -10.837
  218   HD22  LEU  29          1HD2      LEU  29   5.996   0.349 -11.905
  219   HD23  LEU  29          2HD2      LEU  29   6.017   1.708 -10.759
  220    H    LEU  30           H        LEU  30   5.112  -1.632  -7.099
  221    HA   LEU  30           HA       LEU  30   4.350   0.365  -5.020
  222    HB2  LEU  30           2HB      LEU  30   5.262  -2.495  -4.590
  223    HB3  LEU  30           3HB      LEU  30   4.806  -1.343  -3.345
  224    HG   LEU  30           HG       LEU  30   2.940  -2.640  -5.366
  225   HD11  LEU  30          1HD1      LEU  30   3.318  -3.042  -2.379
  226   HD12  LEU  30          2HD1      LEU  30   2.089  -3.843  -3.400
  227   HD13  LEU  30          3HD1      LEU  30   3.810  -4.153  -3.663
  228   HD21  LEU  30          3HD2      LEU  30   1.994  -0.484  -4.847
  229   HD22  LEU  30          1HD2      LEU  30   1.098  -1.680  -3.922
  230   HD23  LEU  30          2HD2      LEU  30   2.321  -0.677  -3.104
  231    H    LYS  31           H        LYS  31   6.095   0.943  -3.552
  232    HA   LYS  31           HA       LYS  31   8.756  -0.125  -4.171
  233    HB2  LYS  31           2HB      LYS  31   9.914   1.795  -4.481
  234    HB3  LYS  31           3HB      LYS  31   8.478   2.131  -5.414
  235    HG2  LYS  31           2HG      LYS  31   9.125   3.211  -2.624
  236    HG3  LYS  31           3HG      LYS  31   9.345   4.056  -4.148
  237    HD2  LYS  31           2HD      LYS  31   6.882   4.020  -4.535
  238    HD3  LYS  31           3HD      LYS  31   6.667   3.186  -2.994
  239    HE2  LYS  31           2HE      LYS  31   6.196   5.525  -2.663
  240    HE3  LYS  31           3HE      LYS  31   7.688   5.127  -1.809
  241    HZ1  LYS  31           3HZ      LYS  31   8.923   6.150  -3.649
  242    HZ2  LYS  31           1HZ      LYS  31   7.534   6.493  -4.444
  243    HZ3  LYS  31           2HZ      LYS  31   7.863   7.215  -3.025
  244    H    LEU  32           H        LEU  32  10.237   0.123  -2.359
  245    HA   LEU  32           HA       LEU  32   8.791   0.064   0.229
  246    HB2  LEU  32           2HB      LEU  32  10.212  -1.852  -0.593
  247    HB3  LEU  32           3HB      LEU  32  11.628  -0.818  -0.457
  248    HG   LEU  32           HG       LEU  32   9.787  -1.621   1.853
  249   HD11  LEU  32          1HD1      LEU  32  10.894  -3.580   0.907
  250   HD12  LEU  32          2HD1      LEU  32  12.467  -2.752   0.934
  251   HD13  LEU  32          3HD1      LEU  32  11.658  -3.186   2.444
  252   HD21  LEU  32          3HD2      LEU  32  10.947   0.367   2.539
  253   HD22  LEU  32          1HD2      LEU  32  11.827  -0.984   3.249
  254   HD23  LEU  32          2HD2      LEU  32  12.477  -0.185   1.808
  255    H    HIS  33           H        HIS  33   8.993   1.814   1.575
  256    HA   HIS  33           HA       HIS  33  11.205   3.735   1.301
  257    HB2  HIS  33           2HB      HIS  33   9.623   4.463  -0.444
  258    HB3  HIS  33           3HB      HIS  33   8.284   4.403   0.704
  259    HD1  HIS  33           1HD      HIS  33   8.087   6.491   2.412
  260    HD2  HIS  33           2HD      HIS  33  11.381   6.533  -0.214
  261    HE1  HIS  33           1HE      HIS  33   9.108   8.815   2.584
  262    H    ASP  34           H        ASP  34  11.564   4.703   3.264
  263    HA   ASP  34           HA       ASP  34  11.614   4.834   5.504
  264    HB2  ASP  34           2HB      ASP  34  10.011   6.608   4.914
  265    HB3  ASP  34           3HB      ASP  34   8.670   5.490   5.168
  266    H    GLU  35           H        GLU  35  11.524   2.268   4.669
  267    HA   GLU  35           HA       GLU  35  11.202   0.132   5.148
  268    HB2  GLU  35           2HB      GLU  35  10.522   1.093   7.945
  269    HB3  GLU  35           3HB      GLU  35  10.796  -0.580   7.475
  270    HG2  GLU  35           2HG      GLU  35  13.084   0.038   6.670
  271    HG3  GLU  35           3HG      GLU  35  12.834   1.665   7.313
  272    H    ARG  36           H        ARG  36   8.530   2.004   4.733
  273    HA   ARG  36           HA       ARG  36   6.601  -0.252   5.158
  274    HB2  ARG  36           2HB      ARG  36   6.144   2.658   4.353
  275    HB3  ARG  36           3HB      ARG  36   4.885   1.471   4.664
  276    HG2  ARG  36           2HG      ARG  36   6.868   2.481   6.759
  277    HG3  ARG  36           3HG      ARG  36   5.262   3.130   6.522
  278    HD2  ARG  36           2HD      ARG  36   5.771   0.209   7.232
  279    HD3  ARG  36           3HD      ARG  36   5.540   1.492   8.426
  280    HE   ARG  36           HE       ARG  36   3.432   1.503   6.472
  281   HH11  ARG  36          2HH1      ARG  36   4.466  -0.254   9.447
  282   HH12  ARG  36          1HH1      ARG  36   2.826  -0.677   9.826
  283   HH21  ARG  36          1HH2      ARG  36   1.307   0.968   7.150
  284   HH22  ARG  36          2HH2      ARG  36   1.038   0.242   8.701
  285    H    VAL  37           H        VAL  37   4.956  -0.128   3.074
  286    HA   VAL  37           HA       VAL  37   6.550   0.309   0.609
  287    HB   VAL  37           HB       VAL  37   5.256  -1.510  -0.486
  288   HG11  VAL  37          1HG1      VAL  37   7.585  -1.844   0.148
  289   HG12  VAL  37          2HG1      VAL  37   7.102  -2.373   1.772
  290   HG13  VAL  37          3HG1      VAL  37   6.676  -3.340   0.344
  291   HG21  VAL  37          3HG2      VAL  37   3.415  -1.777   1.158
  292   HG22  VAL  37          1HG2      VAL  37   4.244  -3.299   0.824
  293   HG23  VAL  37          2HG2      VAL  37   4.565  -2.438   2.334
  294    H    LEU  38           H        LEU  38   5.501   1.383  -1.004
  295    HA   LEU  38           HA       LEU  38   2.766   2.388  -0.405
  296    HB2  LEU  38           2HB      LEU  38   5.195   4.020  -1.230
  297    HB3  LEU  38           3HB      LEU  38   3.548   4.638  -1.220
  298    HG   LEU  38           HG       LEU  38   5.050   3.685   1.241
  299   HD11  LEU  38          1HD1      LEU  38   4.468   6.515   0.273
  300   HD12  LEU  38          2HD1      LEU  38   5.249   6.075   1.807
  301   HD13  LEU  38          3HD1      LEU  38   6.058   5.719   0.276
  302   HD21  LEU  38          3HD2      LEU  38   2.672   3.476   1.598
  303   HD22  LEU  38          1HD2      LEU  38   3.263   4.862   2.507
  304   HD23  LEU  38          2HD2      LEU  38   2.380   5.116   0.982
  305    H    VAL  39           H        VAL  39   1.614   3.027  -2.219
  306    HA   VAL  39           HA       VAL  39   2.085   1.635  -4.687
  307    HB   VAL  39           HB       VAL  39   0.119   3.846  -3.946
  308   HG11  VAL  39          1HG1      VAL  39  -1.212   3.022  -5.863
  309   HG12  VAL  39          2HG1      VAL  39   0.355   3.634  -6.401
  310   HG13  VAL  39          3HG1      VAL  39   0.090   1.886  -6.284
  311   HG21  VAL  39          3HG2      VAL  39  -1.514   1.995  -3.694
  312   HG22  VAL  39          1HG2      VAL  39  -0.221   0.810  -3.978
  313   HG23  VAL  39          2HG2      VAL  39  -0.200   1.834  -2.532
  314    H    ALA  40           H        ALA  40   3.729   2.155  -5.924
  315    HA   ALA  40           HA       ALA  40   4.961   4.790  -6.038
  316    HB1  ALA  40           3HB      ALA  40   5.455   2.284  -7.723
  317    HB2  ALA  40           1HB      ALA  40   6.539   3.674  -7.540
  318    HB3  ALA  40           2HB      ALA  40   6.236   2.595  -6.164
  319    H    PHE  41           H        PHE  41   2.723   2.832  -7.992
  320    HA   PHE  41           HA       PHE  41   2.118   5.163  -9.655
  321    HB2  PHE  41           2HB      PHE  41   4.054   3.890 -10.785
  322    HB3  PHE  41           3HB      PHE  41   2.922   2.562 -11.012
  323    HD1  PHE  41           1HD      PHE  41   3.607   6.130 -11.856
  324    HD2  PHE  41           2HD      PHE  41   1.281   2.613 -12.790
  325    HE1  PHE  41           1HE      PHE  41   2.785   7.218 -13.926
  326    HE2  PHE  41           2HE      PHE  41   0.437   3.723 -14.844
  327    HZ   PHE  41           HZ       PHE  41   1.185   6.025 -15.417
  328    H    GLY  42           H        GLY  42   0.208   4.731 -10.998
  329    HA2  GLY  42           2HA      GLY  42  -1.497   2.569 -10.902
  330    HA3  GLY  42           3HA      GLY  42  -1.878   3.496  -9.435
  331    H    GLN  43           H        GLN  43  -1.024   6.051 -10.873
  332    HA   GLN  43           HA       GLN  43  -2.859   6.390 -13.124
  333    HB2  GLN  43           2HB      GLN  43  -2.856   8.117 -10.588
  334    HB3  GLN  43           3HB      GLN  43  -3.557   8.624 -12.126
  335    HG2  GLN  43           2HG      GLN  43  -5.184   6.781 -12.045
  336    HG3  GLN  43           3HG      GLN  43  -4.489   6.201 -10.531
  337   HE21  GLN  43          2HE2      GLN  43  -6.753   8.457 -11.915
  338   HE22  GLN  43          1HE2      GLN  43  -7.184   9.242 -10.418
  339    H    ARG  44           H        ARG  44  -1.979   8.206 -14.447
  340    HA   ARG  44           HA       ARG  44   0.846   8.503 -14.334
  341    HB2  ARG  44           2HB      ARG  44   0.632  10.212 -16.019
  342    HB3  ARG  44           3HB      ARG  44  -0.422   8.851 -16.391
  343    HG2  ARG  44           2HG      ARG  44  -2.380  10.168 -15.516
  344    HG3  ARG  44           3HG      ARG  44  -1.292  11.541 -15.230
  345    HD2  ARG  44           2HD      ARG  44  -0.719  11.568 -17.663
  346    HD3  ARG  44           3HD      ARG  44  -1.830  10.223 -17.922
  347    HE   ARG  44           HE       ARG  44  -3.651  11.606 -17.707
  348   HH11  ARG  44          1HH1      ARG  44  -0.740  13.464 -16.864
  349   HH12  ARG  44          2HH1      ARG  44  -1.543  14.989 -16.866
  350   HH21  ARG  44          1HH2      ARG  44  -4.717  13.637 -17.712
  351   HH22  ARG  44          2HH2      ARG  44  -3.853  15.085 -17.365
  352    H    ASP  45           H        ASP  45  -1.751  10.448 -12.951
  353    HA   ASP  45           HA       ASP  45  -0.120  11.276 -10.741
  354    HB2  ASP  45           2HB      ASP  45   0.524  13.142 -12.182
  355    HB3  ASP  45           3HB      ASP  45  -1.140  13.358 -12.734
  356    H    GLY  46           H        GLY  46  -1.630  10.992  -9.067
  357    HA2  GLY  46           2HA      GLY  46  -4.139  12.112  -8.911
  358    HA3  GLY  46           3HA      GLY  46  -4.416  10.552  -9.688
  359    H    ILE  47           H        ILE  47  -5.613  10.918  -7.367
  360    HA   ILE  47           HA       ILE  47  -4.138  10.633  -5.008
  361    HB   ILE  47           HB       ILE  47  -6.289  10.234  -3.922
  362   HG12  ILE  47          2HG1      ILE  47  -7.502  10.055  -6.721
  363   HG13  ILE  47          3HG1      ILE  47  -7.302   8.705  -5.605
  364   HG21  ILE  47          1HG2      ILE  47  -6.577  12.372  -6.079
  365   HG22  ILE  47          2HG2      ILE  47  -7.284  12.363  -4.452
  366   HG23  ILE  47          3HG2      ILE  47  -5.540  12.523  -4.644
  367   HD11  ILE  47          3HD1      ILE  47  -9.583   9.449  -5.499
  368   HD12  ILE  47          1HD1      ILE  47  -8.794   9.863  -3.964
  369   HD13  ILE  47          2HD1      ILE  47  -9.099  11.122  -5.187
  370    H    ARG  48           H        ARG  48  -4.900   8.060  -7.255
  371    HA   ARG  48           HA       ARG  48  -5.027   5.900  -5.387
  372    HB2  ARG  48           2HB      ARG  48  -5.637   5.796  -7.801
  373    HB3  ARG  48           3HB      ARG  48  -3.922   5.921  -8.228
  374    HG2  ARG  48           2HG      ARG  48  -3.461   3.763  -7.153
  375    HG3  ARG  48           3HG      ARG  48  -5.133   3.669  -6.557
  376    HD2  ARG  48           2HD      ARG  48  -5.983   3.578  -8.864
  377    HD3  ARG  48           3HD      ARG  48  -4.351   3.799  -9.496
  378    HE   ARG  48           HE       ARG  48  -4.920   1.472  -7.751
  379   HH11  ARG  48          1HH1      ARG  48  -4.190   2.575 -11.128
  380   HH12  ARG  48          2HH1      ARG  48  -3.824   0.929 -11.610
  381   HH21  ARG  48          1HH2      ARG  48  -4.438  -0.654  -8.640
  382   HH22  ARG  48          2HH2      ARG  48  -3.910  -0.737 -10.313
  383    H    VAL  49           H        VAL  49  -2.294   7.718  -6.748
  384    HA   VAL  49           HA       VAL  49  -0.248   5.839  -5.942
  385    HB   VAL  49           HB       VAL  49  -0.058   8.784  -6.742
  386   HG11  VAL  49          1HG1      VAL  49   2.231   8.199  -7.487
  387   HG12  VAL  49          2HG1      VAL  49   2.046   7.957  -5.753
  388   HG13  VAL  49          3HG1      VAL  49   2.024   6.556  -6.850
  389   HG21  VAL  49          3HG2      VAL  49   0.475   7.884  -9.034
  390   HG22  VAL  49          1HG2      VAL  49   0.003   6.265  -8.469
  391   HG23  VAL  49          2HG2      VAL  49  -1.189   7.584  -8.553
  392    H    GLY  50           H        GLY  50   1.253   6.110  -4.170
  393    HA2  GLY  50           2HA      GLY  50   2.121   7.012  -2.262
  394    HA3  GLY  50           3HA      GLY  50   0.940   8.323  -2.316
  395    H    HIS  51           H        HIS  51  -0.750   5.403  -2.482
  396    HA   HIS  51           HA       HIS  51  -1.589   5.448   0.341
  397    HB2  HIS  51           2HB      HIS  51  -2.259   3.722  -2.082
  398    HB3  HIS  51           3HB      HIS  51  -2.814   3.318  -0.470
  399    HD1  HIS  51           1HD      HIS  51  -3.981   5.168  -3.370
  400    HD2  HIS  51           2HD      HIS  51  -4.148   5.629   0.799
  401    HE1  HIS  51           1HE      HIS  51  -6.028   6.624  -2.886
  402    H    ALA  52           H        ALA  52  -1.428   3.353   1.579
  403    HA   ALA  52           HA       ALA  52   1.168   1.954   1.112
  404    HB1  ALA  52           3HB      ALA  52   0.964   3.107   3.324
  405    HB2  ALA  52           1HB      ALA  52  -0.529   2.190   3.638
  406    HB3  ALA  52           2HB      ALA  52   1.024   1.341   3.491
  407    H    VAL  53           H        VAL  53   1.096  -0.374   1.412
  408    HA   VAL  53           HA       VAL  53  -1.450  -1.614   0.571
  409    HB   VAL  53           HB       VAL  53   1.255  -2.845   1.245
  410   HG11  VAL  53          1HG1      VAL  53  -1.210  -4.066  -0.080
  411   HG12  VAL  53          2HG1      VAL  53   0.385  -4.835   0.033
  412   HG13  VAL  53          3HG1      VAL  53  -0.535  -4.518   1.500
  413   HG21  VAL  53          3HG2      VAL  53  -0.052  -2.156  -1.428
  414   HG22  VAL  53          1HG2      VAL  53   1.441  -1.453  -0.761
  415   HG23  VAL  53          2HG2      VAL  53   1.397  -3.154  -1.227
  416    H    LEU  54           H        LEU  54  -2.687  -2.902   1.956
  417    HA   LEU  54           HA       LEU  54  -1.972  -2.904   4.855
  418    HB2  LEU  54           2HB      LEU  54  -4.757  -2.830   3.615
  419    HB3  LEU  54           3HB      LEU  54  -4.406  -3.196   5.286
  420    HG   LEU  54           HG       LEU  54  -5.105  -1.030   5.388
  421   HD11  LEU  54          1HD1      LEU  54  -2.968  -1.298   6.628
  422   HD12  LEU  54          2HD1      LEU  54  -2.083  -0.668   5.218
  423   HD13  LEU  54          3HD1      LEU  54  -3.231   0.366   6.063
  424   HD21  LEU  54          3HD2      LEU  54  -3.342  -0.225   3.060
  425   HD22  LEU  54          1HD2      LEU  54  -5.100  -0.531   2.994
  426   HD23  LEU  54          2HD2      LEU  54  -4.463   0.808   3.963
  427    H    ALA  55           H        ALA  55  -3.110  -4.862   2.017
  428    HA   ALA  55           HA       ALA  55  -2.047  -7.140   3.503
  429    HB1  ALA  55           3HB      ALA  55  -4.953  -7.262   2.577
  430    HB2  ALA  55           1HB      ALA  55  -4.028  -8.556   3.365
  431    HB3  ALA  55           2HB      ALA  55  -4.440  -7.101   4.273
  432    H    ILE  56           H        ILE  56  -1.799  -9.062   2.184
  433    HA   ILE  56           HA       ILE  56  -2.372  -8.845  -0.704
  434    HB   ILE  56           HB       ILE  56   0.339  -9.700   0.402
  435   HG12  ILE  56          2HG1      ILE  56  -0.369  -7.307  -1.350
  436   HG13  ILE  56          3HG1      ILE  56   0.067  -7.233   0.361
  437   HG21  ILE  56          1HG2      ILE  56   0.941 -10.039  -2.007
  438   HG22  ILE  56          2HG2      ILE  56  -0.377 -11.085  -1.526
  439   HG23  ILE  56          3HG2      ILE  56  -0.729  -9.634  -2.466
  440   HD11  ILE  56          3HD1      ILE  56   2.278  -8.290  -0.222
  441   HD12  ILE  56          1HD1      ILE  56   1.882  -8.005  -1.932
  442   HD13  ILE  56          2HD1      ILE  56   1.994  -6.634  -0.815
  443    H    ASN  57           H        ASN  57  -3.144 -10.832  -1.392
  444    HA   ASN  57           HA       ASN  57  -4.155 -12.848  -1.232
  445    HB2  ASN  57           2HB      ASN  57  -1.500 -13.591   0.053
  446    HB3  ASN  57           3HB      ASN  57  -2.684 -14.750  -0.538
  447   HD21  ASN  57          2HD2      ASN  57   0.076 -14.438  -1.447
  448   HD22  ASN  57          1HD2      ASN  57  -0.060 -14.236  -3.177
  449    H    GLY  58           H        GLY  58  -4.722 -11.010   0.960
  450    HA2  GLY  58           2HA      GLY  58  -6.182 -11.085   2.742
  451    HA3  GLY  58           3HA      GLY  58  -6.053 -12.847   2.790
  452    H    MET  59           H        MET  59  -2.868 -11.967   2.828
  453    HA   MET  59           HA       MET  59  -2.633 -12.094   5.761
  454    HB2  MET  59           2HB      MET  59  -0.541 -11.944   3.537
  455    HB3  MET  59           3HB      MET  59  -0.200 -12.003   5.261
  456    HG2  MET  59           2HG      MET  59  -1.394 -14.196   5.395
  457    HG3  MET  59           3HG      MET  59  -1.580 -14.159   3.635
  458    HE1  MET  59           3HE      MET  59  -0.445 -16.538   3.455
  459    HE2  MET  59           1HE      MET  59   1.129 -16.946   4.173
  460    HE3  MET  59           2HE      MET  59  -0.259 -16.586   5.224
  461    H    ASP  60           H        ASP  60  -3.038 -10.205   6.763
  462    HA   ASP  60           HA       ASP  60  -2.742  -7.557   5.847
  463    HB2  ASP  60           2HB      ASP  60  -3.910  -8.118   7.898
  464    HB3  ASP  60           3HB      ASP  60  -2.449  -8.808   8.602
  465    H    VAL  61           H        VAL  61  -0.893  -6.246   5.531
  466    HA   VAL  61           HA       VAL  61   1.665  -7.693   5.803
  467    HB   VAL  61           HB       VAL  61   2.681  -5.956   4.442
  468   HG11  VAL  61          1HG1      VAL  61   0.240  -7.286   3.189
  469   HG12  VAL  61          2HG1      VAL  61   1.643  -6.643   2.313
  470   HG13  VAL  61          3HG1      VAL  61   1.843  -8.010   3.412
  471   HG21  VAL  61          3HG2      VAL  61   1.399  -4.369   3.148
  472   HG22  VAL  61          1HG2      VAL  61  -0.101  -4.851   3.957
  473   HG23  VAL  61          2HG2      VAL  61   1.181  -4.022   4.859
  474    H    ASN  62           H        ASN  62   3.054  -7.329   7.312
  475    HA   ASN  62           HA       ASN  62   2.730  -5.225   9.350
  476    HB2  ASN  62           2HB      ASN  62   3.361  -7.467  10.121
  477    HB3  ASN  62           3HB      ASN  62   4.730  -7.490   9.001
  478   HD21  ASN  62          2HD2      ASN  62   6.264  -7.736  10.738
  479   HD22  ASN  62          1HD2      ASN  62   6.649  -6.402  11.794
  480    H    GLY  63           H        GLY  63   2.923  -3.532   7.746
  481    HA2  GLY  63           2HA      GLY  63   4.030  -1.705   7.060
  482    HA3  GLY  63           3HA      GLY  63   5.498  -2.363   7.791
  483    H    ARG  64           H        ARG  64   6.300  -4.372   6.401
  484    HA   ARG  64           HA       ARG  64   6.076  -3.953   3.486
  485    HB2  ARG  64           2HB      ARG  64   8.532  -3.977   3.214
  486    HB3  ARG  64           3HB      ARG  64   7.975  -2.554   4.083
  487    HG2  ARG  64           2HG      ARG  64   8.716  -3.486   6.217
  488    HG3  ARG  64           3HG      ARG  64   9.115  -5.040   5.465
  489    HD2  ARG  64           2HD      ARG  64  10.883  -4.157   4.232
  490    HD3  ARG  64           3HD      ARG  64  10.375  -2.481   4.469
  491    HE   ARG  64           HE       ARG  64  10.898  -3.006   6.975
  492   HH11  ARG  64          1HH1      ARG  64  12.762  -4.567   4.339
  493   HH12  ARG  64          2HH1      ARG  64  14.292  -4.140   5.012
  494   HH21  ARG  64          1HH2      ARG  64  13.018  -2.448   7.859
  495   HH22  ARG  64          2HH2      ARG  64  14.418  -3.123   7.112
  496    H    TYR  65           H        TYR  65   5.856  -6.104   6.022
  497    HA   TYR  65           HA       TYR  65   6.885  -8.354   4.353
  498    HB2  TYR  65           2HB      TYR  65   6.574  -8.254   7.369
  499    HB3  TYR  65           3HB      TYR  65   7.288  -9.543   6.418
  500    HD1  TYR  65           1HD      TYR  65   9.388  -8.819   4.921
  501    HD2  TYR  65           2HD      TYR  65   8.006  -6.710   8.420
  502    HE1  TYR  65           1HE      TYR  65  11.621  -7.768   5.159
  503    HE2  TYR  65           2HE      TYR  65  10.277  -5.775   8.750
  504    HH   TYR  65           HH       TYR  65  13.025  -6.585   6.585
  505    H    THR  66           H        THR  66   5.416 -10.253   4.274
  506    HA   THR  66           HA       THR  66   2.614  -9.672   4.770
  507    HB   THR  66           HB       THR  66   2.314 -12.109   4.351
  508    HG1  THR  66           1HG      THR  66   4.115 -13.292   3.694
  509   HG21  THR  66          3HG2      THR  66   2.345 -10.450   2.488
  510   HG22  THR  66          1HG2      THR  66   4.081 -10.785   2.251
  511   HG23  THR  66          2HG2      THR  66   2.867 -12.064   2.005
  512    H    ALA  67           H        ALA  67   1.335 -11.234   6.193
  513    HA   ALA  67           HA       ALA  67   2.056 -11.169   8.915
  514    HB1  ALA  67           3HB      ALA  67   0.239 -12.853   9.147
  515    HB2  ALA  67           1HB      ALA  67  -0.241 -11.550   8.035
  516    HB3  ALA  67           2HB      ALA  67   0.281 -13.130   7.389
  517    H    ASP  68           H        ASP  68   2.636 -13.632   6.404
  518    HA   ASP  68           HA       ASP  68   3.864 -15.585   8.133
  519    HB2  ASP  68           2HB      ASP  68   2.916 -16.190   5.958
  520    HB3  ASP  68           3HB      ASP  68   4.099 -15.174   5.130
  521    H    GLY  69           H        GLY  69   5.122 -12.864   6.180
  522    HA2  GLY  69           2HA      GLY  69   6.885 -11.644   7.392
  523    HA3  GLY  69           3HA      GLY  69   7.775 -13.158   7.548
  524    H    LYS  70           H        LYS  70   6.293 -12.980   4.452
  525    HA   LYS  70           HA       LYS  70   8.883 -12.844   3.131
  526    HB2  LYS  70           2HB      LYS  70   6.065 -12.662   1.954
  527    HB3  LYS  70           3HB      LYS  70   7.548 -13.035   1.077
  528    HG2  LYS  70           2HG      LYS  70   6.316 -14.813   3.229
  529    HG3  LYS  70           3HG      LYS  70   6.075 -15.002   1.499
  530    HD2  LYS  70           2HD      LYS  70   8.478 -15.374   1.150
  531    HD3  LYS  70           3HD      LYS  70   8.776 -15.174   2.897
  532    HE2  LYS  70           2HE      LYS  70   7.263 -17.088   3.363
  533    HE3  LYS  70           3HE      LYS  70   6.986 -17.297   1.629
  534    HZ1  LYS  70           3HZ      LYS  70   9.354 -17.792   1.383
  535    HZ2  LYS  70           1HZ      LYS  70   9.603 -17.602   2.989
  536    HZ3  LYS  70           2HZ      LYS  70   8.668 -18.818   2.447
  537    H    GLU  71           H        GLU  71   9.862 -10.941   2.307
  538    HA   GLU  71           HA       GLU  71   8.634  -8.391   2.894
  539    HB2  GLU  71           2HB      GLU  71  11.107  -8.801   2.857
  540    HB3  GLU  71           3HB      GLU  71  11.027  -8.942   1.093
  541    HG2  GLU  71           2HG      GLU  71  10.248  -6.633   0.900
  542    HG3  GLU  71           3HG      GLU  71  10.005  -6.517   2.643
  543    H    VAL  72           H        VAL  72   7.328  -7.224   1.646
  544    HA   VAL  72           HA       VAL  72   5.670  -8.479  -0.138
  545    HB   VAL  72           HB       VAL  72   6.226  -5.584   0.518
  546   HG11  VAL  72          1HG1      VAL  72   5.362  -5.296  -1.676
  547   HG12  VAL  72          2HG1      VAL  72   4.179  -6.597  -1.470
  548   HG13  VAL  72          3HG1      VAL  72   3.981  -5.061  -0.601
  549   HG21  VAL  72          3HG2      VAL  72   3.846  -7.397   1.095
  550   HG22  VAL  72          1HG2      VAL  72   5.161  -7.092   2.220
  551   HG23  VAL  72          2HG2      VAL  72   4.109  -5.758   1.725
  552    H    LEU  73           H        LEU  73   8.478  -6.393  -1.091
  553    HA   LEU  73           HA       LEU  73   7.664  -6.398  -3.836
  554    HB2  LEU  73           2HB      LEU  73  10.448  -5.962  -2.674
  555    HB3  LEU  73           3HB      LEU  73   9.975  -5.651  -4.341
  556    HG   LEU  73           HG       LEU  73   8.976  -4.181  -1.869
  557   HD11  LEU  73          1HD1      LEU  73  11.241  -3.577  -2.602
  558   HD12  LEU  73          2HD1      LEU  73  10.658  -3.304  -4.259
  559   HD13  LEU  73          3HD1      LEU  73  10.114  -2.254  -2.938
  560   HD21  LEU  73          3HD2      LEU  73   8.141  -3.784  -4.777
  561   HD22  LEU  73          1HD2      LEU  73   7.093  -4.286  -3.430
  562   HD23  LEU  73          2HD2      LEU  73   7.781  -2.666  -3.444
  563    H    GLU  74           H        GLU  74   9.873  -8.533  -1.999
  564    HA   GLU  74           HA       GLU  74  10.668 -10.083  -4.312
  565    HB2  GLU  74           2HB      GLU  74  11.996  -9.894  -2.216
  566    HB3  GLU  74           3HB      GLU  74  10.736 -10.770  -1.336
  567    HG2  GLU  74           2HG      GLU  74  11.099 -12.757  -2.759
  568    HG3  GLU  74           3HG      GLU  74  12.275 -11.870  -3.732
  569    H    TYR  75           H        TYR  75   8.160 -10.367  -1.773
  570    HA   TYR  75           HA       TYR  75   7.186 -12.917  -2.408
  571    HB2  TYR  75           2HB      TYR  75   6.667 -11.560  -0.375
  572    HB3  TYR  75           3HB      TYR  75   5.699 -10.480  -1.352
  573    HD1  TYR  75           2HD      TYR  75   5.934 -14.241  -0.962
  574    HD2  TYR  75           1HD      TYR  75   3.427 -10.726  -0.922
  575    HE1  TYR  75           2HE      TYR  75   3.986 -15.652  -0.443
  576    HE2  TYR  75           1HE      TYR  75   1.479 -12.125  -0.351
  577    HH   TYR  75           HH       TYR  75   1.693 -15.697   0.023
  578    H    LEU  76           H        LEU  76   6.210  -9.710  -3.718
  579    HA   LEU  76           HA       LEU  76   4.193 -10.837  -5.490
  580    HB2  LEU  76           2HB      LEU  76   5.588  -8.135  -5.303
  581    HB3  LEU  76           3HB      LEU  76   4.354  -8.497  -6.505
  582    HG   LEU  76           HG       LEU  76   3.799  -8.755  -3.520
  583   HD11  LEU  76          1HD1      LEU  76   3.375  -6.373  -5.372
  584   HD12  LEU  76          2HD1      LEU  76   2.697  -6.528  -3.736
  585   HD13  LEU  76          3HD1      LEU  76   4.454  -6.458  -3.969
  586   HD21  LEU  76          3HD2      LEU  76   1.974  -8.508  -5.951
  587   HD22  LEU  76          1HD2      LEU  76   2.228  -9.968  -4.972
  588   HD23  LEU  76          2HD2      LEU  76   1.443  -8.556  -4.257
  589    H    GLY  77           H        GLY  77   7.637  -9.874  -5.793
  590    HA2  GLY  77           2HA      GLY  77   7.835 -10.094  -8.611
  591    HA3  GLY  77           3HA      GLY  77   9.161 -10.208  -7.441
  592    H    ASN  78           H        ASN  78   8.052 -12.557  -6.056
  593    HA   ASN  78           HA       ASN  78   9.265 -14.679  -7.371
  594    HB2  ASN  78           2HB      ASN  78   8.711 -14.684  -4.999
  595    HB3  ASN  78           3HB      ASN  78   6.984 -14.670  -5.365
  596   HD21  ASN  78          2HD2      ASN  78   7.432 -16.604  -3.732
  597   HD22  ASN  78          1HD2      ASN  78   7.625 -18.154  -4.506
  598    HA   PRO  79           HA       PRO  79   6.181 -15.162 -10.603
  599    HB2  PRO  79           2HB      PRO  79   7.229 -17.234 -12.045
  600    HB3  PRO  79           3HB      PRO  79   7.839 -15.548 -12.087
  601    HG2  PRO  79           2HG      PRO  79   8.883 -17.867 -10.422
  602    HG3  PRO  79           3HG      PRO  79   9.823 -16.733 -11.446
  603    HD2  PRO  79           2HD      PRO  79   9.585 -16.368  -8.767
  604    HD3  PRO  79           3HD      PRO  79   9.566 -14.972  -9.885
  605    H    ALA  80           H        ALA  80   6.908 -17.629  -8.221
  606    HA   ALA  80           HA       ALA  80   4.726 -19.401  -8.893
  607    HB1  ALA  80           3HB      ALA  80   5.062 -20.284  -6.647
  608    HB2  ALA  80           1HB      ALA  80   6.647 -20.009  -7.398
  609    HB3  ALA  80           2HB      ALA  80   6.015 -18.865  -6.184
  610    H    ASN  81           H        ASN  81   4.778 -16.163  -7.685
  611    HA   ASN  81           HA       ASN  81   2.012 -16.342  -6.614
  612    HB2  ASN  81           2HB      ASN  81   3.730 -16.403  -4.797
  613    HB3  ASN  81           3HB      ASN  81   4.409 -14.900  -5.423
  614   HD21  ASN  81          2HD2      ASN  81   3.887 -13.324  -4.023
  615   HD22  ASN  81          1HD2      ASN  81   2.331 -13.088  -3.239
  616    H    TYR  82           H        TYR  82   2.830 -15.611  -9.285
  617    HA   TYR  82           HA       TYR  82   2.737 -12.732  -9.593
  618    HB2  TYR  82           2HB      TYR  82   2.407 -15.150 -11.360
  619    HB3  TYR  82           3HB      TYR  82   1.602 -13.682 -11.869
  620    HD1  TYR  82           1HD      TYR  82   4.860 -13.288 -10.115
  621    HD2  TYR  82           2HD      TYR  82   2.843 -13.693 -13.918
  622    HE1  TYR  82           1HE      TYR  82   6.875 -12.476 -11.273
  623    HE2  TYR  82           2HE      TYR  82   4.827 -12.811 -15.070
  624    HH   TYR  82           HH       TYR  82   7.047 -12.093 -14.845
  625    HA   PRO  83           HA       PRO  83  -1.955 -13.073  -9.971
  626    HB2  PRO  83           2HB      PRO  83  -3.369 -15.347  -9.418
  627    HB3  PRO  83           3HB      PRO  83  -2.682 -14.986 -11.031
  628    HG2  PRO  83           2HG      PRO  83  -1.518 -16.758  -8.864
  629    HG3  PRO  83           3HG      PRO  83  -1.669 -17.097 -10.616
  630    HD2  PRO  83           2HD      PRO  83   0.643 -16.189  -9.493
  631    HD3  PRO  83           3HD      PRO  83   0.141 -15.708 -11.141
  632    H    VAL  84           H        VAL  84  -2.790 -11.981  -8.250
  633    HA   VAL  84           HA       VAL  84  -2.705 -13.088  -5.517
  634    HB   VAL  84           HB       VAL  84  -1.558 -11.010  -4.705
  635   HG11  VAL  84          1HG1      VAL  84   0.233 -12.521  -6.609
  636   HG12  VAL  84          2HG1      VAL  84   0.682 -11.698  -5.105
  637   HG13  VAL  84          3HG1      VAL  84  -0.323 -13.151  -5.044
  638   HG21  VAL  84          3HG2      VAL  84  -0.859 -10.501  -7.631
  639   HG22  VAL  84          1HG2      VAL  84  -1.947  -9.515  -6.630
  640   HG23  VAL  84          2HG2      VAL  84  -0.230  -9.630  -6.226
  641    H    SER  85           H        SER  85  -3.615 -11.408  -3.978
  642    HA   SER  85           HA       SER  85  -5.581  -9.554  -5.211
  643    HB2  SER  85           2HB      SER  85  -6.049 -11.266  -2.729
  644    HB3  SER  85           3HB      SER  85  -7.160 -10.062  -3.409
  645    HG   SER  85           HG       SER  85  -6.294 -12.496  -4.612
  646    H    ILE  86           H        ILE  86  -5.469  -7.502  -4.148
  647    HA   ILE  86           HA       ILE  86  -3.559  -7.290  -1.869
  648    HB   ILE  86           HB       ILE  86  -3.466  -5.583  -4.395
  649   HG12  ILE  86          2HG1      ILE  86  -1.585  -7.778  -3.435
  650   HG13  ILE  86          3HG1      ILE  86  -2.566  -7.788  -4.901
  651   HG21  ILE  86          1HG2      ILE  86  -1.655  -5.568  -1.939
  652   HG22  ILE  86          2HG2      ILE  86  -1.449  -4.557  -3.379
  653   HG23  ILE  86          3HG2      ILE  86  -2.844  -4.318  -2.352
  654   HD11  ILE  86          3HD1      ILE  86  -0.373  -7.330  -5.611
  655   HD12  ILE  86          1HD1      ILE  86  -1.235  -5.781  -5.698
  656   HD13  ILE  86          2HD1      ILE  86  -0.109  -6.117  -4.352
  657    H    ARG  87           H        ARG  87  -4.106  -5.711  -0.439
  658    HA   ARG  87           HA       ARG  87  -6.455  -3.986  -1.032
  659    HB2  ARG  87           2HB      ARG  87  -7.069  -5.707   0.648
  660    HB3  ARG  87           3HB      ARG  87  -5.671  -5.252   1.630
  661    HG2  ARG  87           2HG      ARG  87  -6.624  -2.957   1.915
  662    HG3  ARG  87           3HG      ARG  87  -8.045  -3.440   0.983
  663    HD2  ARG  87           2HD      ARG  87  -7.136  -4.767   3.579
  664    HD3  ARG  87           3HD      ARG  87  -8.329  -3.469   3.472
  665    HE   ARG  87           HE       ARG  87  -8.841  -5.879   1.834
  666   HH11  ARG  87          1HH1      ARG  87  -9.750  -4.096   4.848
  667   HH12  ARG  87          2HH1      ARG  87 -11.151  -5.084   5.068
  668   HH21  ARG  87          1HH2      ARG  87 -10.584  -7.004   2.113
  669   HH22  ARG  87          2HH2      ARG  87 -11.690  -6.795   3.461
  670    H    PHE  88           H        PHE  88  -6.005  -1.827  -0.742
  671    HA   PHE  88           HA       PHE  88  -3.589  -0.973   0.713
  672    HB2  PHE  88           2HB      PHE  88  -2.891   0.448  -1.199
  673    HB3  PHE  88           3HB      PHE  88  -2.752  -1.266  -1.547
  674    HD1  PHE  88           1HD      PHE  88  -4.241  -2.359  -3.177
  675    HD2  PHE  88           2HD      PHE  88  -4.495   1.872  -2.397
  676    HE1  PHE  88           1HE      PHE  88  -5.731  -2.084  -5.149
  677    HE2  PHE  88           2HE      PHE  88  -5.936   2.155  -4.397
  678    HZ   PHE  88           HZ       PHE  88  -6.582   0.174  -5.760
  679    H    GLY  89           H        GLY  89  -3.598   1.434   0.995
  680    HA2  GLY  89           2HA      GLY  89  -5.830   3.114   0.686
  681    HA3  GLY  89           3HA      GLY  89  -6.108   2.106   2.126
  682    H    ARG  90           H        ARG  90  -5.968   4.227   3.290
  683    HA   ARG  90           HA       ARG  90  -3.328   5.484   3.521
  684    HB2  ARG  90           2HB      ARG  90  -5.813   5.716   5.305
  685    HB3  ARG  90           3HB      ARG  90  -4.322   6.630   5.495
  686    HG2  ARG  90           2HG      ARG  90  -5.594   8.164   4.328
  687    HG3  ARG  90           3HG      ARG  90  -4.691   7.397   3.029
  688    HD2  ARG  90           2HD      ARG  90  -6.948   5.812   3.089
  689    HD3  ARG  90           3HD      ARG  90  -7.614   7.307   3.690
  690    HE   ARG  90           HE       ARG  90  -6.183   6.939   1.076
  691   HH11  ARG  90          1HH1      ARG  90  -8.782   8.621   2.885
  692   HH12  ARG  90          2HH1      ARG  90  -9.280   9.524   1.500
  693   HH21  ARG  90          1HH2      ARG  90  -6.868   8.040  -0.662
  694   HH22  ARG  90          2HH2      ARG  90  -8.173   9.187  -0.591
  695    HA   PRO  91           HA       PRO  91  -1.689   2.232   5.907
  696    HB2  PRO  91           2HB      PRO  91   0.115   3.482   7.620
  697    HB3  PRO  91           3HB      PRO  91   0.386   3.196   5.877
  698    HG2  PRO  91           2HG      PRO  91  -0.626   5.711   7.224
  699    HG3  PRO  91           3HG      PRO  91   0.631   5.559   5.953
  700    HD2  PRO  91           2HD      PRO  91  -1.920   6.248   5.344
  701    HD3  PRO  91           3HD      PRO  91  -0.996   5.149   4.275
  702    H    ARG  92           H        ARG  92  -1.533   1.243   8.033
  703    HA   ARG  92           HA       ARG  92  -2.949   2.546  10.271
  704    HB2  ARG  92           2HB      ARG  92  -3.434  -0.330   9.328
  705    HB3  ARG  92           3HB      ARG  92  -3.837   0.286  10.918
  706    HG2  ARG  92           2HG      ARG  92  -5.866   0.418   9.932
  707    HG3  ARG  92           3HG      ARG  92  -5.296   2.066   9.668
  708    HD2  ARG  92           2HD      ARG  92  -4.768   1.534   7.335
  709    HD3  ARG  92           3HD      ARG  92  -5.058  -0.183   7.628
  710    HE   ARG  92           HE       ARG  92  -7.369   0.136   7.696
  711   HH11  ARG  92          1HH2      ARG  92  -5.745   3.136   6.683
  712   HH12  ARG  92          2HH2      ARG  92  -7.250   3.954   6.360
  713   HH21  ARG  92          1HH1      ARG  92  -9.213   1.105   6.992
  714   HH22  ARG  92          2HH1      ARG  92  -9.258   2.811   6.582
  715    H    LEU  93           H        LEU  93  -2.077   1.780  12.306
  716    HA   LEU  93           HA       LEU  93   0.736   1.559  12.207
  717    HB2  LEU  93           2HB      LEU  93  -0.555   2.573  14.067
  718    HB3  LEU  93           3HB      LEU  93  -1.164   0.971  14.506
  719    HG   LEU  93           HG       LEU  93   1.136   0.244  15.085
  720   HD11  LEU  93          1HD1      LEU  93   2.941   1.944  15.297
  721   HD12  LEU  93          2HD1      LEU  93   2.491   1.704  13.613
  722   HD13  LEU  93          3HD1      LEU  93   1.910   3.139  14.482
  723   HD21  LEU  93          3HD2      LEU  93  -0.342   1.200  16.803
  724   HD22  LEU  93          1HD2      LEU  93   1.354   1.586  17.127
  725   HD23  LEU  93          2HD2      LEU  93   0.275   2.828  16.448
  726    H    THR  94           H        THR  94   2.135  -0.104  12.680
  727    HA   THR  94           HA       THR  94   1.350  -2.786  13.312
  728    HB   THR  94           HB       THR  94   2.907  -3.197  10.959
  729    HG1  THR  94           1HG      THR  94   0.584  -1.719  10.326
  730   HG21  THR  94          3HG2      THR  94  -0.033  -3.727  11.544
  731   HG22  THR  94          1HG2      THR  94   0.841  -4.382  10.150
  732   HG23  THR  94          2HG2      THR  94   1.339  -4.831  11.793
  733    H    SER  95           H        SER  95   3.458  -4.152  13.466
  734    HA   SER  95           HA       SER  95   5.105  -2.768  15.231
  735    HB2  SER  95           2HB      SER  95   5.748  -5.372  13.805
  736    HB3  SER  95           3HB      SER  95   6.284  -4.869  15.416
  737    HG   SER  95           HG       SER  95   4.149  -5.031  16.133
  738    H    ASN  96           H        ASN  96   5.650  -3.533  11.809
  739    HA   ASN  96           HA       ASN  96   8.349  -2.295  11.799
  740    HB2  ASN  96           2HB      ASN  96   8.076  -4.281  10.427
  741    HB3  ASN  96           3HB      ASN  96   6.647  -3.600   9.648
  742   HD21  ASN  96          2HD2      ASN  96   7.078  -1.356   8.631
  743   HD22  ASN  96          1HD2      ASN  96   8.439  -1.374   7.489