NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
496385 | 2l30 | 17157 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# 3 GLU QB 3 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 35,36, igr2= 38,39, &end # # 3 GLU HA 4 SER QB &rst iat= 33, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 50,51, &end # # 3 GLU QB 4 SER H &rst iat= -1,46, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 35,36, &end # # 4 SER HA 4 SER QB &rst iat= 48, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 50,51, &end # # 5 SER HA 5 SER QB &rst iat= 59, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 61,62, &end # # 5 SER H 6 ASP HA &rst iat= 57,70, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 SER HA 6 ASP HA &rst iat= 59,70, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 SER H 7 LYS QE &rst iat= 57, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 93,94, &end # # 5 SER HA 7 LYS H &rst iat= 59,80, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 SER HA 7 LYS QG &rst iat= 59, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 87,88, &end # # 5 SER HA 7 LYS QE &rst iat= 59, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 93,94, &end # # 5 SER QB 7 LYS H &rst iat= -1,80, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 61,62, &end # # 5 SER QB 47 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 61,62, igr2= 716,717, &end # # 5 SER QB 47 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 61,62, igr2= 719,720, &end # # 6 ASP HA 6 ASP QB &rst iat= 70, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 72,73, &end # # 6 ASP H 7 LYS H &rst iat= 68,80, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 ASP H 7 LYS QD &rst iat= 68, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 90,91, &end # # 6 ASP HA 7 LYS H &rst iat= 70,80, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 ASP HA 7 LYS QG &rst iat= 70, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 87,88, &end # # 6 ASP HA 7 LYS QE &rst iat= 70, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 93,94, &end # # 6 ASP QB 7 LYS H &rst iat= -1,80, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 72,73, &end # # 7 LYS H 7 LYS QB &rst iat= 80, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 84,85, &end # # 7 LYS H 7 LYS QG &rst iat= 80, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 87,88, &end # # 7 LYS H 7 LYS QD &rst iat= 80, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 90,91, &end # # 7 LYS H 7 LYS QE &rst iat= 80, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 93,94, &end # # 7 LYS HA 7 LYS QG &rst iat= 82, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 87,88, &end # # 7 LYS HA 7 LYS QD &rst iat= 82, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 90,91, &end # # 7 LYS QB 7 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, igr2= 90,91, &end # # 7 LYS QG 7 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 87,88, igr2= 93,94, &end # # 7 LYS H 8 LEU H &rst iat= 80,102, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 LYS HA 8 LEU H &rst iat= 82,102, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 LYS HA 8 LEU HA &rst iat= 82,104, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 LYS HA 8 LEU HG &rst iat= 82,109, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 LYS HA 8 LEU QD &rst iat= 82, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 111,112,113,115,116,117, &end # # 7 LYS QB 8 LEU H &rst iat= -1,102, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, &end # # 7 LYS QB 8 LEU HA &rst iat= -1,104, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, &end # # 7 LYS QG 8 LEU H &rst iat= -1,102, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 87,88, &end # # 7 LYS QD 8 LEU H &rst iat= -1,102, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 90,91, &end # # 7 LYS H 9 TYR H &rst iat= 80,121, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 LYS HA 9 TYR H &rst iat= 82,121, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 LYS QB 9 TYR H &rst iat= -1,121, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, &end # # 7 LYS QD 9 TYR H &rst iat= -1,121, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 90,91, &end # # 7 LYS QB 72 ASP H &rst iat= -1,1134, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, &end # # 7 LYS QB 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, igr2= 1138,1139, &end # # 7 LYS QG 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 87,88, igr2= 1138,1139, &end # # 7 LYS QD 72 ASP H &rst iat= -1,1134, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 90,91, &end # # 7 LYS QD 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 90,91, igr2= 1138,1139, &end # # 7 LYS QE 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 93,94, igr2= 1138,1139, &end # # 8 LEU H 8 LEU QB &rst iat= 102, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 106,107, &end # # 8 LEU H 8 LEU HG &rst iat= 102,109, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU H 8 LEU QD &rst iat= 102, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 111,112,113,115,116,117, &end # # 8 LEU HA 8 LEU HG &rst iat= 104,109, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU HA 8 LEU QD &rst iat= 104, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 111,112,113,115,116,117, &end # # 8 LEU QB 8 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.6872, r4= 5.4432, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 106,107, igr2= 111,112,113,115,116,117, &end # # 8 LEU H 9 TYR H &rst iat= 102,121, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU H 9 TYR HA &rst iat= 102,123, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU H 9 TYR QD &rst iat= 102, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 129,138, &end # # 8 LEU QB 9 TYR H &rst iat= -1,121, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 106,107, &end # # 8 LEU QB 9 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 106,107, igr2= 129,138, &end # # 8 LEU QB 9 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 106,107, igr2= 131,136, &end # # 8 LEU HG 9 TYR H &rst iat= 109,121, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QD 9 TYR H &rst iat= -1,121, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 111,112,113,115,116,117, &end # # 8 LEU QD 9 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 111,112,113,115,116,117, igr2= 125,126, &end # # 8 LEU QD 9 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 111,112,113,115,116,117, igr2= 129,138, &end # # 8 LEU QD 9 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 111,112,113,115,116,117, igr2= 131,136, &end # # 8 LEU HA 37 ILE QG2 &rst iat= 104, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 568,569,570, &end # # 8 LEU H 38 MET H &rst iat= 102,581, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU HA 38 MET H &rst iat= 104,581, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU HA 38 MET QB &rst iat= 104, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 585,586, &end # # 8 LEU HA 38 MET QG &rst iat= 104, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 588,589, &end # # 8 LEU HA 38 MET QE &rst iat= 104, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 592,593,594, &end # # 8 LEU QB 38 MET H &rst iat= -1,581, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 106,107, &end # # 8 LEU QD 64 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.938, r4= 8.748, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 111,112,113,115,116,117, igr2= 1007,1008,1009, &end # # 8 LEU QD 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 111,112,113,115,116,117, igr2= 1014,1015,1016, &end # # 8 LEU H 70 GLU HA &rst iat= 102,1105, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QD 70 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 111,112,113,115,116,117, igr2= 1110,1111, &end # # 9 TYR H 9 TYR QB &rst iat= 121, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 125,126, &end # # 9 TYR H 9 TYR QD &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 129,138, &end # # 9 TYR HA 9 TYR QD &rst iat= 123, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 129,138, &end # # 9 TYR HA 9 TYR QE &rst iat= 123, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 131,136, &end # # 9 TYR QB 9 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, igr2= 131,136, &end # # 9 TYR H 10 ARG H &rst iat= 121,142, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR H 10 ARG HA &rst iat= 121,144, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR HA 10 ARG H &rst iat= 123,142, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR HA 10 ARG HA &rst iat= 123,144, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR HA 10 ARG QB &rst iat= 123, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 146,147, &end # # 9 TYR QB 10 ARG H &rst iat= -1,142, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, &end # # 9 TYR QD 10 ARG H &rst iat= -1,142, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, &end # # 9 TYR QB 35 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, igr2= 546,547,548, &end # # 9 TYR H 37 ILE QG1 &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 572,573, &end # # 9 TYR HA 37 ILE HA &rst iat= 123,564, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR HA 37 ILE QG1 &rst iat= 123, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 572,573, &end # # 9 TYR HA 37 ILE QG2 &rst iat= 123, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 568,569,570, &end # # 9 TYR HA 37 ILE QD1 &rst iat= 123, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 575,576,577, &end # # 9 TYR QB 37 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, igr2= 572,573, &end # # 9 TYR QB 37 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, igr2= 575,576,577, &end # # 9 TYR QD 37 ILE HA &rst iat= -1,564, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, &end # # 9 TYR QD 37 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, igr2= 572,573, &end # # 9 TYR QD 37 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, igr2= 575,576,577, &end # # 9 TYR QE 37 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 131,136, igr2= 572,573, &end # # 9 TYR H 38 MET H &rst iat= 121,581, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR HA 38 MET H &rst iat= 123,581, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR QD 38 MET H &rst iat= -1,581, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, &end # # 9 TYR QD 57 PHE HZ &rst iat= -1,896, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, &end # # 9 TYR QE 57 PHE HZ &rst iat= -1,896, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 131,136, &end # # 9 TYR QB 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, igr2= 1014,1015,1016, &end # # 9 TYR QD 64 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, igr2= 1011,1012, &end # # 9 TYR QD 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, igr2= 1014,1015,1016, &end # # 9 TYR QE 64 ILE HA &rst iat= -1,1003, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 131,136, &end # # 9 TYR QE 64 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 131,136, igr2= 1011,1012, &end # # 9 TYR H 70 GLU HA &rst iat= 121,1105, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR H 70 GLU QB &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1107,1108, &end # # 9 TYR QB 70 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, igr2= 1107,1108, &end # # 9 TYR QD 70 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,138, igr2= 1107,1108, &end # # 9 TYR H 71 VAL HA &rst iat= 121,1120, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR H 71 VAL QG &rst iat= 121, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 9 TYR HA 71 VAL HA &rst iat= 123,1120, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 TYR HA 71 VAL QG &rst iat= 123, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 9 TYR QB 71 VAL HA &rst iat= -1,1120, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, &end # # 9 TYR QB 71 VAL HB &rst iat= -1,1122, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, &end # # 9 TYR QB 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 125,126, igr2= 1124,1125,1126,1128,1129,1130, &end # # 9 TYR H 72 ASP H &rst iat= 121,1134, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG H 10 ARG QB &rst iat= 142, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 146,147, &end # # 10 ARG H 10 ARG QD &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 152,153, &end # # 10 ARG HA 10 ARG QG &rst iat= 144, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 149,150, &end # # 10 ARG HA 10 ARG QD &rst iat= 144, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 152,153, &end # # 10 ARG QB 10 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, igr2= 152,153, &end # # 10 ARG H 11 VAL H &rst iat= 142,166, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG HA 11 VAL H &rst iat= 144,166, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG HA 11 VAL HA &rst iat= 144,168, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG HA 11 VAL HB &rst iat= 144,170, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG HA 11 VAL QG &rst iat= 144, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 172,173,174,176,177,178, &end # # 10 ARG QB 11 VAL H &rst iat= -1,166, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, &end # # 10 ARG QG 11 VAL H &rst iat= -1,166, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, &end # # 10 ARG QG 11 VAL HB &rst iat= -1,170, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, &end # # 10 ARG QG 11 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, igr2= 172,173,174,176,177,178, &end # # 10 ARG QD 11 VAL H &rst iat= -1,166, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, &end # # 10 ARG QD 11 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, igr2= 172,173,174,176,177,178, &end # # 10 ARG QG 12 GLU H &rst iat= -1,182, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, &end # # 10 ARG QG 12 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, igr2= 186,187, &end # # 10 ARG QG 12 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, igr2= 189,190, &end # # 10 ARG H 35 MET QE &rst iat= 142, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 546,547,548, &end # # 10 ARG HA 35 MET QE &rst iat= 144, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 546,547,548, &end # # 10 ARG H 36 ALA H &rst iat= 142,552, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG H 36 ALA QB &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 556,557,558, &end # # 10 ARG QB 36 ALA H &rst iat= -1,552, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, &end # # 10 ARG QB 36 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, igr2= 556,557,558, &end # # 10 ARG QG 36 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, igr2= 556,557,558, &end # # 10 ARG QD 36 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, igr2= 556,557,558, &end # # 10 ARG H 37 ILE HA &rst iat= 142,564, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG QB 51 TRP HH2 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, &end # # 10 ARG QG 51 TRP HA &rst iat= -1,783, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, &end # # 10 ARG QG 51 TRP HZ2 &rst iat= -1,794, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, &end # # 10 ARG QG 51 TRP HZ3 &rst iat= -1,798, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, &end # # 10 ARG QG 51 TRP HH2 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, &end # # 10 ARG QD 51 TRP HZ3 &rst iat= -1,798, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, &end # # 10 ARG QD 51 TRP HH2 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, &end # # 10 ARG H 71 VAL QG &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 10 ARG HA 71 VAL HA &rst iat= 144,1120, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG HA 71 VAL QG &rst iat= 144, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 10 ARG QD 71 VAL HA &rst iat= -1,1120, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, &end # # 10 ARG QD 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, igr2= 1124,1125,1126,1128,1129,1130, &end # # 10 ARG HA 72 ASP H &rst iat= 144,1134, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG HA 72 ASP HA &rst iat= 144,1136, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ARG HA 72 ASP QB &rst iat= 144, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139, &end # # 10 ARG QB 72 ASP H &rst iat= -1,1134, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, &end # # 10 ARG QB 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, igr2= 1138,1139, &end # # 10 ARG QG 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 149,150, igr2= 1138,1139, &end # # 10 ARG QD 72 ASP H &rst iat= -1,1134, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, &end # # 10 ARG QD 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, igr2= 1138,1139, &end # # 10 ARG QD 73 GLY H &rst iat= -1,1146, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 152,153, &end # # 11 VAL H 11 VAL QG &rst iat= 166, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 172,173,174,176,177,178, &end # # 11 VAL HA 11 VAL QG &rst iat= 168, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 172,173,174,176,177,178, &end # # 11 VAL H 12 GLU H &rst iat= 166,182, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL HA 12 GLU H &rst iat= 168,182, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL HA 12 GLU HA &rst iat= 168,184, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL HA 12 GLU QG &rst iat= 168, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 189,190, &end # # 11 VAL HB 12 GLU H &rst iat= 170,182, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL QG 12 GLU H &rst iat= -1,182, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 12 GLU HA &rst iat= -1,184, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 12 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 186,187, &end # # 11 VAL QG 13 TYR H &rst iat= -1,197, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL HA 33 LEU QD &rst iat= 168, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 501,502,503,505,506,507, &end # # 11 VAL QG 33 LEU HG &rst iat= -1,499, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 33 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.01425, r4= 6.9255, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 501,502,503,505,506,507, &end # # 11 VAL HA 34 ARG H &rst iat= 168,511, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL QG 34 ARG H &rst iat= -1,511, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL H 35 MET QE &rst iat= 166, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 546,547,548, &end # # 11 VAL HA 35 MET H &rst iat= 168,535, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL HA 35 MET HA &rst iat= 168,537, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL HA 35 MET QB &rst iat= 168, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 539,540, &end # # 11 VAL HA 35 MET QG &rst iat= 168, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 11 VAL HB 35 MET HA &rst iat= 170,537, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL QG 35 MET HA &rst iat= -1,537, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 35 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 542,543, &end # # 11 VAL HA 36 ALA H &rst iat= 168,552, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL QG 36 ALA H &rst iat= -1,552, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL H 51 TRP HZ3 &rst iat= 166,798, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL HA 51 TRP HZ3 &rst iat= 168,798, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL QG 54 PHE HA &rst iat= -1,845, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 54 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 851,859, &end # # 11 VAL QG 54 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 853,857, &end # # 11 VAL H 71 VAL QG &rst iat= 166, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 11 VAL HB 71 VAL HA &rst iat= 170,1120, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL HB 71 VAL QG &rst iat= 170, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 11 VAL QG 71 VAL HA &rst iat= -1,1120, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL H 72 ASP H &rst iat= 166,1134, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL H 73 GLY H &rst iat= 166,1146, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL H 73 GLY QA &rst iat= 166, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1148,1149, &end # # 11 VAL QG 73 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 1148,1149, &end # # 11 VAL H 74 PHE H &rst iat= 166,1153, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 VAL QG 74 PHE H &rst iat= -1,1153, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 74 PHE HA &rst iat= -1,1155, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 74 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 1157,1158, &end # # 11 VAL QG 74 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 1161,1169, &end # # 11 VAL QG 75 SER H &rst iat= -1,1173, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 76 GLU H &rst iat= -1,1184, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL H 77 LEU QD &rst iat= 166, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 11 VAL HA 77 LEU QD &rst iat= 168, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 11 VAL QG 77 LEU H &rst iat= -1,1199, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 77 LEU HG &rst iat= -1,1206, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, &end # # 11 VAL QG 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.561, r4= 7.47225, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 1208,1209,1210,1212,1213,1214, &end # # 11 VAL QG 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 172,173,174,176,177,178, igr2= 1352,1353,1354,1356,1357,1358, &end # # 12 GLU H 12 GLU QG &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 189,190, &end # # 12 GLU HA 12 GLU QG &rst iat= 184, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 189,190, &end # # 12 GLU H 13 TYR H &rst iat= 182,197, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU H 13 TYR QD &rst iat= 182, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 205,214, &end # # 12 GLU HA 13 TYR H &rst iat= 184,197, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU HA 13 TYR HA &rst iat= 184,199, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU HA 13 TYR QD &rst iat= 184, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 205,214, &end # # 12 GLU QB 13 TYR H &rst iat= -1,197, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 186,187, &end # # 12 GLU QG 13 TYR H &rst iat= -1,197, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 189,190, &end # # 12 GLU QG 14 ALA HA &rst iat= -1,220, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 189,190, &end # # 12 GLU H 33 LEU HA &rst iat= 182,494, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU H 33 LEU HG &rst iat= 182,499, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU H 33 LEU QD &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 501,502,503,505,506,507, &end # # 12 GLU HA 33 LEU QD &rst iat= 184, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 501,502,503,505,506,507, &end # # 12 GLU H 34 ARG H &rst iat= 182,511, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU H 34 ARG QG &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 518,519, &end # # 12 GLU H 35 MET H &rst iat= 182,535, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU H 35 MET HA &rst iat= 182,537, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU H 35 MET QG &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 12 GLU H 51 TRP HZ3 &rst iat= 182,798, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 GLU QB 51 TRP HH2 &rst iat= -1,796, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 186,187, &end # # 12 GLU QG 51 TRP HZ3 &rst iat= -1,798, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 189,190, &end # # 12 GLU QG 51 TRP HH2 &rst iat= -1,796, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 189,190, &end # # 12 GLU HA 76 GLU QB &rst iat= 184, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1188,1189, &end # # 12 GLU H 77 LEU QD &rst iat= 182, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 12 GLU HA 77 LEU QD &rst iat= 184, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 13 TYR H 13 TYR QB &rst iat= 197, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 201,202, &end # # 13 TYR H 13 TYR QD &rst iat= 197, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 205,214, &end # # 13 TYR HA 13 TYR QD &rst iat= 199, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 205,214, &end # # 13 TYR HA 13 TYR QE &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 207,212, &end # # 13 TYR QB 13 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 201,202, igr2= 205,214, &end # # 13 TYR H 14 ALA H &rst iat= 197,218, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR HA 14 ALA H &rst iat= 199,218, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR HA 14 ALA HA &rst iat= 199,220, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR HA 14 ALA QB &rst iat= 199, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 222,223,224, &end # # 13 TYR QB 14 ALA H &rst iat= -1,218, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 201,202, &end # # 13 TYR QD 14 ALA H &rst iat= -1,218, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 205,214, &end # # 13 TYR QD 14 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 205,214, igr2= 222,223,224, &end # # 13 TYR H 33 LEU HA &rst iat= 197,494, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR H 33 LEU QD &rst iat= 197, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 501,502,503,505,506,507, &end # # 13 TYR HA 33 LEU HA &rst iat= 199,494, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR HA 33 LEU QB &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 496,497, &end # # 13 TYR HA 33 LEU QD &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 501,502,503,505,506,507, &end # # 13 TYR QD 33 LEU HA &rst iat= -1,494, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 205,214, &end # # 13 TYR QD 33 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 205,214, igr2= 496,497, &end # # 13 TYR QD 33 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 205,214, igr2= 501,502,503,505,506,507, &end # # 13 TYR QE 33 LEU HA &rst iat= -1,494, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, &end # # 13 TYR QE 33 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, igr2= 496,497, &end # # 13 TYR QE 33 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, igr2= 501,502,503,505,506,507, &end # # 13 TYR H 34 ARG H &rst iat= 197,511, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR HA 34 ARG H &rst iat= 199,511, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR HA 34 ARG QG &rst iat= 199, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 518,519, &end # # 13 TYR H 76 GLU QB &rst iat= 197, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1188,1189, &end # # 13 TYR H 77 LEU HG &rst iat= 197,1206, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 TYR H 77 LEU QD &rst iat= 197, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 13 TYR HA 77 LEU QD &rst iat= 199, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 13 TYR QD 77 LEU HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 205,214, &end # # 13 TYR QD 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 205,214, igr2= 1208,1209,1210,1212,1213,1214, &end # # 13 TYR QE 77 LEU HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, &end # # 13 TYR QE 77 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, igr2= 1203,1204, &end # # 13 TYR QE 77 LEU HG &rst iat= -1,1206, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, &end # # 13 TYR QE 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, igr2= 1208,1209,1210,1212,1213,1214, &end # # 13 TYR QE 78 ARG H &rst iat= -1,1218, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 207,212, &end # # 14 ALA H 14 ALA QB &rst iat= 218, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 222,223,224, &end # # 14 ALA QB 15 LYS H &rst iat= -1,228, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA HA 16 SER H &rst iat= 220,250, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ALA QB 16 SER H &rst iat= -1,250, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA QB 28 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.328, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, igr2= 420,421,422, &end # # 14 ALA HA 30 LYS HA &rst iat= 220,449, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ALA QB 30 LYS H &rst iat= -1,447, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA QB 30 LYS HA &rst iat= -1,449, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA QB 30 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, igr2= 451,452, &end # # 14 ALA QB 31 ASP H &rst iat= -1,469, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA QB 31 ASP HA &rst iat= -1,471, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA H 32 SER H &rst iat= 218,481, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ALA H 32 SER HA &rst iat= 218,483, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ALA QB 32 SER H &rst iat= -1,481, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA QB 32 SER HA &rst iat= -1,483, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA QB 32 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, igr2= 485,486, &end # # 14 ALA H 33 LEU HA &rst iat= 218,494, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ALA QB 33 LEU HA &rst iat= -1,494, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, &end # # 14 ALA HA 34 ARG QG &rst iat= 220, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 518,519, &end # # 14 ALA QB 34 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, igr2= 518,519, &end # # 14 ALA QB 34 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 222,223,224, igr2= 521,522, &end # # 15 LYS H 15 LYS QD &rst iat= 228, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 238,239, &end # # 15 LYS HA 15 LYS QG &rst iat= 230, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 235,236, &end # # 15 LYS HA 15 LYS QD &rst iat= 230, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 238,239, &end # # 15 LYS HA 15 LYS QE &rst iat= 230, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 241,242, &end # # 15 LYS QB 15 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 232,233, igr2= 241,242, &end # # 15 LYS QG 15 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 235,236, igr2= 238,239, &end # # 15 LYS QG 15 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 235,236, igr2= 241,242, &end # # 15 LYS QD 15 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 238,239, igr2= 241,242, &end # # 15 LYS H 16 SER H &rst iat= 228,250, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 LYS H 16 SER QB &rst iat= 228, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 254,255, &end # # 15 LYS QB 16 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 232,233, igr2= 254,255, &end # # 15 LYS QG 16 SER H &rst iat= -1,250, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 235,236, &end # # 16 SER QB 18 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 254,255, igr2= 275,276, &end # # 16 SER QB 18 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 254,255, igr2= 278,279, &end # # 16 SER H 30 LYS HA &rst iat= 250,449, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 SER H 30 LYS QG &rst iat= 250, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 16 SER HA 30 LYS H &rst iat= 252,447, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 SER HA 30 LYS HA &rst iat= 252,449, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 SER HA 30 LYS QB &rst iat= 252, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 451,452, &end # # 16 SER HA 30 LYS QG &rst iat= 252, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 16 SER HA 30 LYS QD &rst iat= 252, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 457,458, &end # # 16 SER HA 30 LYS QE &rst iat= 252, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 460,461, &end # # 16 SER H 31 ASP H &rst iat= 250,469, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 GLY QA 18 ARG HA &rst iat= -1,270, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 263,264, &end # # 17 GLY QA 29 PRO HA &rst iat= -1,443, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 263,264, &end # # 17 GLY QA 30 LYS H &rst iat= -1,447, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 263,264, &end # # 17 GLY QA 30 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 263,264, igr2= 451,452, &end # # 17 GLY QA 30 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 263,264, igr2= 457,458, &end # # 18 ARG H 18 ARG QB &rst iat= 268, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 272,273, &end # # 18 ARG H 18 ARG QG &rst iat= 268, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 275,276, &end # # 18 ARG HA 18 ARG QG &rst iat= 270, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 275,276, &end # # 18 ARG HA 18 ARG QD &rst iat= 270, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 278,279, &end # # 18 ARG QB 18 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 272,273, igr2= 278,279, &end # # 18 ARG QG 18 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 275,276, igr2= 278,279, &end # # 18 ARG H 19 ALA H &rst iat= 268,292, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 ARG H 19 ALA QB &rst iat= 268, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 296,297,298, &end # # 18 ARG QB 19 ALA H &rst iat= -1,292, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 272,273, &end # # 18 ARG QG 19 ALA H &rst iat= -1,292, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 275,276, &end # # 18 ARG QD 19 ALA H &rst iat= -1,292, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 278,279, &end # # 19 ALA H 19 ALA QB &rst iat= 292, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 296,297,298, &end # # 19 ALA H 20 SER H &rst iat= 292,302, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ALA HA 20 SER H &rst iat= 294,302, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ALA QB 20 SER H &rst iat= -1,302, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, &end # # 19 ALA H 28 ILE HB &rst iat= 292,418, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ALA HA 28 ILE QD1 &rst iat= 294, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 19 ALA QB 28 ILE HB &rst iat= -1,418, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, &end # # 19 ALA QB 28 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.624, r4= 7.344, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, igr2= 420,421,422, &end # # 19 ALA QB 28 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, igr2= 427,428,429, &end # # 19 ALA HA 51 TRP HD1 &rst iat= 294,789, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ALA QB 51 TRP H &rst iat= -1,781, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, &end # # 19 ALA QB 51 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, igr2= 785,786, &end # # 19 ALA QB 51 TRP HD1 &rst iat= -1,789, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, &end # # 19 ALA QB 51 TRP HE1 &rst iat= -1,791, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, &end # # 19 ALA QB 51 TRP HZ2 &rst iat= -1,794, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 296,297,298, &end # # 20 SER H 20 SER QB &rst iat= 302, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 306,307, &end # # 20 SER HA 21 CYS H &rst iat= 304,313, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 SER HA 21 CYS QB &rst iat= 304, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 318,317, &end # # 20 SER QB 21 CYS H &rst iat= -1,313, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, &end # # 20 SER QB 21 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, igr2= 318,317, &end # # 20 SER H 22 LYS QG &rst iat= 302, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 330,331, &end # # 20 SER QB 22 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, igr2= 333,334, &end # # 20 SER HA 27 SER HA &rst iat= 304,405, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 SER HA 27 SER QB &rst iat= 304, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 407,408, &end # # 20 SER QB 27 SER HA &rst iat= -1,405, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, &end # # 20 SER QB 27 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, igr2= 407,408, &end # # 20 SER H 28 ILE HB &rst iat= 302,418, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 SER H 28 ILE QD1 &rst iat= 302, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 20 SER HA 28 ILE H &rst iat= 304,414, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 SER HA 28 ILE QG1 &rst iat= 304, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 424,425, &end # # 20 SER HA 28 ILE QD1 &rst iat= 304, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 20 SER QB 28 ILE H &rst iat= -1,414, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, &end # # 20 SER QB 28 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, igr2= 424,425, &end # # 20 SER QB 28 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 306,307, igr2= 427,428,429, &end # # 20 SER H 51 TRP H &rst iat= 302,781, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 SER H 51 TRP HD1 &rst iat= 302,789, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS H 21 CYS QB &rst iat= 313, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 318,317, &end # # 21 CYS H 22 LYS H &rst iat= 313,323, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS HA 22 LYS H &rst iat= 315,323, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS HA 22 LYS QB &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 327,328, &end # # 21 CYS HA 22 LYS QG &rst iat= 315, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 330,331, &end # # 21 CYS QB 22 LYS H &rst iat= -1,323, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS QB 22 LYS HA &rst iat= -1,325, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS HA 23 LYS H &rst iat= 315,345, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS HA 24 CYS H &rst iat= 315,367, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS QB 24 CYS H &rst iat= -1,367, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS H 25 SER HA &rst iat= 313,379, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS QB 25 SER H &rst iat= -1,377, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS QB 25 SER HA &rst iat= -1,379, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS H 26 GLU H &rst iat= 313,388, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS H 26 GLU QB &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 392,393, &end # # 21 CYS QB 26 GLU H &rst iat= -1,388, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS QB 26 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, igr2= 392,393, &end # # 21 CYS H 27 SER HA &rst iat= 313,405, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS H 27 SER QB &rst iat= 313, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 407,408, &end # # 21 CYS QB 27 SER H &rst iat= -1,403, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS QB 27 SER HA &rst iat= -1,405, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS QB 27 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, igr2= 407,408, &end # # 21 CYS H 28 ILE H &rst iat= 313,414, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS H 28 ILE QG1 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 424,425, &end # # 21 CYS H 28 ILE QD1 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 21 CYS HA 28 ILE QG1 &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 424,425, &end # # 21 CYS HA 28 ILE QG2 &rst iat= 315, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 420,421,422, &end # # 21 CYS HA 28 ILE QD1 &rst iat= 315, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 21 CYS QB 28 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, igr2= 424,425, &end # # 21 CYS QB 28 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, igr2= 420,421,422, &end # # 21 CYS QB 28 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, igr2= 427,428,429, &end # # 21 CYS HA 52 TYR HA &rst iat= 315,807, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS HA 52 TYR QD &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 21 CYS QB 52 TYR HA &rst iat= -1,807, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS HA 53 HIS H &rst iat= 315,826, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 CYS QB 53 HIS H &rst iat= -1,826, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 21 CYS QB 53 HIS HE1 &rst iat= -1,835, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 318,317, &end # # 22 LYS H 22 LYS QB &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 327,328, &end # # 22 LYS H 22 LYS QG &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 330,331, &end # # 22 LYS H 22 LYS QD &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 333,334, &end # # 22 LYS HA 22 LYS QG &rst iat= 325, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 330,331, &end # # 22 LYS HA 22 LYS QD &rst iat= 325, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 333,334, &end # # 22 LYS HA 22 LYS QE &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 336,337, &end # # 22 LYS QB 22 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, igr2= 333,334, &end # # 22 LYS QB 22 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, igr2= 336,337, &end # # 22 LYS QG 22 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, igr2= 333,334, &end # # 22 LYS QG 22 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, igr2= 336,337, &end # # 22 LYS H 23 LYS H &rst iat= 323,345, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS HA 23 LYS HA &rst iat= 325,347, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS QB 23 LYS H &rst iat= -1,345, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, &end # # 22 LYS QB 23 LYS HA &rst iat= -1,347, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, &end # # 22 LYS QG 23 LYS H &rst iat= -1,345, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, &end # # 22 LYS QD 23 LYS H &rst iat= -1,345, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 333,334, &end # # 22 LYS HA 24 CYS H &rst iat= 325,367, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS H 25 SER H &rst iat= 323,377, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS HA 25 SER H &rst iat= 325,377, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS HA 25 SER HA &rst iat= 325,379, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS H 28 ILE QD1 &rst iat= 323, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 22 LYS QB 50 HIS HA &rst iat= -1,766, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, &end # # 22 LYS QB 50 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, igr2= 768,769, &end # # 22 LYS QB 50 HIS HE1 &rst iat= -1,773, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, &end # # 22 LYS QG 50 HIS HA &rst iat= -1,766, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, &end # # 22 LYS QG 50 HIS HD2 &rst iat= -1,777, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, &end # # 22 LYS QD 50 HIS HD2 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 333,334, &end # # 22 LYS QE 50 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 336,337, igr2= 768,769, &end # # 22 LYS QE 50 HIS HD2 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 336,337, &end # # 22 LYS QE 50 HIS HE1 &rst iat= -1,773, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 336,337, &end # # 22 LYS H 51 TRP H &rst iat= 323,781, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS QG 51 TRP H &rst iat= -1,781, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, &end # # 22 LYS QD 51 TRP H &rst iat= -1,781, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 333,334, &end # # 22 LYS H 52 TYR HA &rst iat= 323,807, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 LYS H 52 TYR QD &rst iat= 323, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 22 LYS QB 52 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 327,328, igr2= 815,820, &end # # 22 LYS QG 52 TYR H &rst iat= -1,805, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, &end # # 22 LYS QG 52 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,331, igr2= 809,810, &end # # 23 LYS H 23 LYS QB &rst iat= 345, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 349,350, &end # # 23 LYS H 23 LYS QG &rst iat= 345, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 352,353, &end # # 23 LYS H 23 LYS QD &rst iat= 345, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 355,356, &end # # 23 LYS HA 23 LYS QG &rst iat= 347, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 352,353, &end # # 23 LYS HA 23 LYS QD &rst iat= 347, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 355,356, &end # # 23 LYS HA 23 LYS QE &rst iat= 347, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 358,359, &end # # 23 LYS QB 23 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, igr2= 358,359, &end # # 23 LYS QG 23 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, igr2= 358,359, &end # # 23 LYS H 24 CYS H &rst iat= 345,367, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 LYS H 24 CYS QB &rst iat= 345, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 372,371, &end # # 23 LYS QB 24 CYS H &rst iat= -1,367, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, &end # # 23 LYS QG 24 CYS H &rst iat= -1,367, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, &end # # 23 LYS QG 24 CYS HA &rst iat= -1,369, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, &end # # 23 LYS QG 24 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, igr2= 372,371, &end # # 23 LYS QD 24 CYS H &rst iat= -1,367, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, &end # # 23 LYS QE 24 CYS H &rst iat= -1,367, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, &end # # 23 LYS H 25 SER H &rst iat= 345,377, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 LYS H 52 TYR QB &rst iat= 345, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810, &end # # 23 LYS H 52 TYR QD &rst iat= 345, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 23 LYS HA 52 TYR QD &rst iat= 347, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 23 LYS QB 52 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, igr2= 809,810, &end # # 23 LYS QB 52 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, igr2= 813,822, &end # # 23 LYS QB 52 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, igr2= 815,820, &end # # 23 LYS QG 52 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, igr2= 813,822, &end # # 23 LYS H 56 CYS QB &rst iat= 345, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,878, &end # # 23 LYS HA 56 CYS QB &rst iat= 347, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,878, &end # # 23 LYS QB 56 CYS HA &rst iat= -1,876, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, &end # # 23 LYS QB 56 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, igr2= 879,878, &end # # 23 LYS QG 56 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, igr2= 879,878, &end # # 23 LYS QG 57 PHE H &rst iat= -1,884, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, &end # # 23 LYS QE 59 LYS H &rst iat= -1,928, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, &end # # 23 LYS QE 59 LYS HA &rst iat= -1,930, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, &end # # 23 LYS QE 59 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, igr2= 932,933, &end # # 23 LYS QE 59 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, igr2= 938,939, &end # # 23 LYS HA 60 VAL QG &rst iat= 347, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 23 LYS QB 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 349,350, igr2= 956,957,958,960,961,962, &end # # 23 LYS QG 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 352,353, igr2= 956,957,958,960,961,962, &end # # 23 LYS QD 60 VAL HA &rst iat= -1,952, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, &end # # 23 LYS QD 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, igr2= 956,957,958,960,961,962, &end # # 23 LYS QE 60 VAL H &rst iat= -1,950, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, &end # # 23 LYS QE 60 VAL HA &rst iat= -1,952, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, &end # # 23 LYS QE 60 VAL HB &rst iat= -1,954, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, &end # # 23 LYS QE 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 358,359, igr2= 956,957,958,960,961,962, &end # # 24 CYS H 24 CYS QB &rst iat= 367, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 372,371, &end # # 24 CYS H 25 SER HA &rst iat= 367,379, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 CYS HA 25 SER QB &rst iat= 369, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 381,382, &end # # 24 CYS H 26 GLU H &rst iat= 367,388, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 CYS H 26 GLU QG &rst iat= 367, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 395,396, &end # # 24 CYS QB 26 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 372,371, igr2= 395,396, &end # # 24 CYS H 52 TYR QB &rst iat= 367, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810, &end # # 24 CYS H 56 CYS QB &rst iat= 367, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,878, &end # # 25 SER H 25 SER HA &rst iat= 377,379, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 SER H 25 SER QB &rst iat= 377, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 381,382, &end # # 25 SER H 26 GLU H &rst iat= 377,388, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 SER HA 26 GLU QG &rst iat= 379, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 395,396, &end # # 25 SER QB 26 GLU H &rst iat= -1,388, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 381,382, &end # # 26 GLU H 26 GLU QB &rst iat= 388, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 392,393, &end # # 26 GLU H 26 GLU QG &rst iat= 388, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 395,396, &end # # 26 GLU HA 26 GLU QG &rst iat= 390, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 395,396, &end # # 26 GLU H 27 SER H &rst iat= 388,403, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 GLU HA 27 SER H &rst iat= 390,403, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 GLU QB 27 SER H &rst iat= -1,403, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 392,393, &end # # 26 GLU QB 27 SER HA &rst iat= -1,405, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 392,393, &end # # 26 GLU QB 27 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 392,393, igr2= 407,408, &end # # 26 GLU QB 53 HIS HE1 &rst iat= -1,835, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 392,393, &end # # 26 GLU QG 53 HIS HE1 &rst iat= -1,835, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 395,396, &end # # 27 SER H 27 SER QB &rst iat= 403, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 407,408, &end # # 27 SER HA 27 SER QB &rst iat= 405, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 407,408, &end # # 27 SER H 28 ILE H &rst iat= 403,414, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 SER H 28 ILE HA &rst iat= 403,416, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 SER HA 28 ILE H &rst iat= 405,414, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 SER HA 28 ILE HB &rst iat= 405,418, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 SER HA 28 ILE QG1 &rst iat= 405, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 424,425, &end # # 27 SER QB 28 ILE H &rst iat= -1,414, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, &end # # 27 SER QB 28 ILE HA &rst iat= -1,416, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, &end # # 27 SER QB 28 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, igr2= 424,425, &end # # 27 SER QB 102 ILE HA &rst iat= -1,1573, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, &end # # 27 SER QB 102 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, igr2= 1577,1578,1579, &end # # 27 SER QB 102 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, igr2= 1584,1585,1586, &end # # 27 SER QB 103 GLY H &rst iat= -1,1590, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, &end # # 27 SER QB 103 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 407,408, igr2= 1592,1593, &end # # 28 ILE H 28 ILE HB &rst iat= 414,418, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 ILE H 28 ILE QG1 &rst iat= 414, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 424,425, &end # # 28 ILE H 28 ILE QG2 &rst iat= 414, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 420,421,422, &end # # 28 ILE H 28 ILE QD1 &rst iat= 414, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 28 ILE HA 28 ILE QG2 &rst iat= 416, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 420,421,422, &end # # 28 ILE HB 28 ILE QD1 &rst iat= 418, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 427,428,429, &end # # 28 ILE QG2 28 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 424,425, &end # # 28 ILE QG2 28 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 427,428,429, &end # # 28 ILE H 29 PRO QD &rst iat= 414, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435, &end # # 28 ILE HA 29 PRO QG &rst iat= 416, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 437,438, &end # # 28 ILE QG2 29 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 440,441, &end # # 28 ILE QG2 29 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 437,438, &end # # 28 ILE QG2 29 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 434,435, &end # # 28 ILE QG2 32 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 485,486, &end # # 28 ILE QG2 33 LEU H &rst iat= -1,492, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 28 ILE QG2 34 ARG H &rst iat= -1,511, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 28 ILE QG2 34 ARG HA &rst iat= -1,513, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 28 ILE QG2 34 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 515,516, &end # # 28 ILE QG2 34 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 518,519, &end # # 28 ILE QG2 34 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, igr2= 521,522, &end # # 28 ILE QD1 34 ARG HA &rst iat= -1,513, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 34 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, igr2= 515,516, &end # # 28 ILE QD1 34 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, igr2= 521,522, &end # # 28 ILE QG2 35 MET H &rst iat= -1,535, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 28 ILE QD1 35 MET H &rst iat= -1,535, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QG2 51 TRP HE3 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 28 ILE QD1 51 TRP H &rst iat= -1,781, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 51 TRP HA &rst iat= -1,783, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 51 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, igr2= 785,786, &end # # 28 ILE QD1 51 TRP HD1 &rst iat= -1,789, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 51 TRP HE3 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QG1 52 TYR H &rst iat= -1,805, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 424,425, &end # # 28 ILE QG1 52 TYR HA &rst iat= -1,807, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 424,425, &end # # 28 ILE QD1 52 TYR H &rst iat= -1,805, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 52 TYR HA &rst iat= -1,807, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 52 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, igr2= 813,822, &end # # 28 ILE HA 53 HIS HD2 &rst iat= 416,839, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 ILE HB 53 HIS HD2 &rst iat= 418,839, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 ILE QG1 53 HIS H &rst iat= -1,826, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 424,425, &end # # 28 ILE QG1 53 HIS HA &rst iat= -1,828, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 424,425, &end # # 28 ILE QG2 53 HIS HA &rst iat= -1,828, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 28 ILE QG1 53 HIS HD2 &rst iat= -1,839, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 424,425, &end # # 28 ILE QG2 53 HIS HD2 &rst iat= -1,839, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 28 ILE QD1 53 HIS H &rst iat= -1,826, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 53 HIS HA &rst iat= -1,828, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QD1 53 HIS HD2 &rst iat= -1,839, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 427,428,429, &end # # 28 ILE QG2 54 PHE H &rst iat= -1,843, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 420,421,422, &end # # 29 PRO HA 30 LYS H &rst iat= 443,447, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 PRO HA 30 LYS HA &rst iat= 443,449, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 PRO QB 30 LYS H &rst iat= -1,447, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 440,441, &end # # 29 PRO QG 30 LYS H &rst iat= -1,447, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 437,438, &end # # 29 PRO QG 32 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 437,438, igr2= 485,486, &end # # 29 PRO QG 53 HIS HD2 &rst iat= -1,839, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 437,438, &end # # 29 PRO QD 53 HIS HD2 &rst iat= -1,839, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435, &end # # 30 LYS H 30 LYS QB &rst iat= 447, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 451,452, &end # # 30 LYS H 30 LYS QG &rst iat= 447, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 30 LYS H 30 LYS QD &rst iat= 447, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 457,458, &end # # 30 LYS HA 30 LYS QG &rst iat= 449, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 30 LYS HA 30 LYS QD &rst iat= 449, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 457,458, &end # # 30 LYS HA 30 LYS QE &rst iat= 449, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 460,461, &end # # 30 LYS QB 30 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452, igr2= 457,458, &end # # 30 LYS QB 30 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452, igr2= 460,461, &end # # 30 LYS QG 30 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 454,455, igr2= 457,458, &end # # 30 LYS QG 30 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 454,455, igr2= 460,461, &end # # 30 LYS H 31 ASP H &rst iat= 447,469, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 LYS HA 31 ASP H &rst iat= 449,469, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 LYS HA 31 ASP HA &rst iat= 449,471, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 LYS HA 31 ASP QB &rst iat= 449, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 473,474, &end # # 30 LYS QB 31 ASP H &rst iat= -1,469, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452, &end # # 30 LYS QG 31 ASP H &rst iat= -1,469, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 454,455, &end # # 30 LYS QG 31 ASP HA &rst iat= -1,471, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 454,455, &end # # 31 ASP H 31 ASP QB &rst iat= 469, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 473,474, &end # # 31 ASP H 32 SER H &rst iat= 469,481, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 ASP QB 32 SER H &rst iat= -1,481, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 473,474, &end # # 32 SER H 32 SER QB &rst iat= 481, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 485,486, &end # # 32 SER H 33 LEU H &rst iat= 481,492, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER H 33 LEU HA &rst iat= 481,494, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER HA 33 LEU H &rst iat= 483,492, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER HA 33 LEU QB &rst iat= 483, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 496,497, &end # # 32 SER QB 33 LEU H &rst iat= -1,492, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 485,486, &end # # 33 LEU H 33 LEU QB &rst iat= 492, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 496,497, &end # # 33 LEU H 33 LEU HG &rst iat= 492,499, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 LEU H 33 LEU QD &rst iat= 492, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 501,502,503,505,506,507, &end # # 33 LEU HA 33 LEU QD &rst iat= 494, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 501,502,503,505,506,507, &end # # 33 LEU QB 33 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 496,497, igr2= 501,502,503,505,506,507, &end # # 33 LEU H 34 ARG H &rst iat= 492,511, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 LEU HA 34 ARG H &rst iat= 494,511, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 LEU QB 34 ARG H &rst iat= -1,511, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 496,497, &end # # 33 LEU QB 34 ARG HA &rst iat= -1,513, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 496,497, &end # # 33 LEU HG 34 ARG H &rst iat= 499,511, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 LEU QD 34 ARG H &rst iat= -1,511, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, &end # # 33 LEU QD 35 MET HA &rst iat= -1,537, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, &end # # 33 LEU QD 35 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 542,543, &end # # 33 LEU QB 54 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 496,497, igr2= 847,848, &end # # 33 LEU QB 54 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 496,497, igr2= 851,859, &end # # 33 LEU HG 54 PHE HA &rst iat= 499,845, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 LEU HG 54 PHE QB &rst iat= 499, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 847,848, &end # # 33 LEU HG 54 PHE QD &rst iat= 499, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 851,859, &end # # 33 LEU QD 54 PHE HA &rst iat= -1,845, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, &end # # 33 LEU QD 54 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 847,848, &end # # 33 LEU QD 54 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 851,859, &end # # 33 LEU QD 54 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 853,857, &end # # 33 LEU QD 77 LEU HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, &end # # 33 LEU QD 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.64975, r4= 6.561, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 1208,1209,1210,1212,1213,1214, &end # # 33 LEU QD 78 ARG H &rst iat= -1,1218, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, &end # # 33 LEU QD 81 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 1282,1283, &end # # 33 LEU QD 84 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 1334,1335, &end # # 33 LEU QD 84 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 1337,1338, &end # # 33 LEU QD 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.20125, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 501,502,503,505,506,507, igr2= 1352,1353,1354,1356,1357,1358, &end # # 34 ARG H 34 ARG QG &rst iat= 511, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 518,519, &end # # 34 ARG H 35 MET H &rst iat= 511,535, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG H 35 MET QG &rst iat= 511, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 34 ARG HA 35 MET H &rst iat= 513,535, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG HA 35 MET QB &rst iat= 513, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 539,540, &end # # 34 ARG HA 35 MET QG &rst iat= 513, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 34 ARG QB 35 MET H &rst iat= -1,535, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 515,516, &end # # 34 ARG HA 51 TRP HE3 &rst iat= 513,800, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG QB 51 TRP HE3 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 515,516, &end # # 34 ARG QG 51 TRP HE3 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 518,519, &end # # 34 ARG QG 51 TRP HZ3 &rst iat= -1,798, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 518,519, &end # # 34 ARG QD 51 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 521,522, igr2= 785,786, &end # # 34 ARG QD 51 TRP HE3 &rst iat= -1,800, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 521,522, &end # # 34 ARG HA 53 HIS HA &rst iat= 513,828, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG H 54 PHE HA &rst iat= 511,845, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG HA 54 PHE H &rst iat= 513,843, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG HA 54 PHE HA &rst iat= 513,845, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG HA 54 PHE QB &rst iat= 513, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 847,848, &end # # 34 ARG QB 54 PHE HA &rst iat= -1,845, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 515,516, &end # # 34 ARG H 77 LEU QD &rst iat= 511, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 35 MET H 35 MET QB &rst iat= 535, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 539,540, &end # # 35 MET H 35 MET QG &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 35 MET HA 35 MET QG &rst iat= 537, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 35 MET HA 35 MET QE &rst iat= 537, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 546,547,548, &end # # 35 MET QB 35 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.6288, r4= 4.3008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 539,540, igr2= 546,547,548, &end # # 35 MET QG 35 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, igr2= 546,547,548, &end # # 35 MET H 36 ALA H &rst iat= 535,552, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 MET H 36 ALA HA &rst iat= 535,554, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 MET HA 36 ALA H &rst iat= 537,552, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 MET HA 36 ALA QB &rst iat= 537, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 556,557,558, &end # # 35 MET QB 36 ALA H &rst iat= -1,552, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 539,540, &end # # 35 MET QG 36 ALA H &rst iat= -1,552, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, &end # # 35 MET QE 36 ALA H &rst iat= -1,552, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET H 51 TRP HE3 &rst iat= 535,800, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 MET H 51 TRP HZ3 &rst iat= 535,798, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 MET HA 51 TRP HZ3 &rst iat= 537,798, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 MET H 52 TYR H &rst iat= 535,805, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 MET QB 54 PHE HA &rst iat= -1,845, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 539,540, &end # # 35 MET QG 54 PHE HA &rst iat= -1,845, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, &end # # 35 MET QG 54 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, igr2= 851,859, &end # # 35 MET QB 57 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 539,540, igr2= 888,889, &end # # 35 MET QG 57 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, igr2= 888,889, &end # # 35 MET QE 57 PHE HA &rst iat= -1,886, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 57 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, igr2= 894,898, &end # # 35 MET QE 57 PHE HZ &rst iat= -1,896, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 58 TRP H &rst iat= -1,904, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 58 TRP HE1 &rst iat= -1,914, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 58 TRP HZ2 &rst iat= -1,917, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 58 TRP HH2 &rst iat= -1,919, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 64 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, igr2= 1007,1008,1009, &end # # 35 MET QE 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.176, r4= 4.896, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, igr2= 1014,1015,1016, &end # # 35 MET QG 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, igr2= 1124,1125,1126,1128,1129,1130, &end # # 35 MET QE 71 VAL HA &rst iat= -1,1120, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 71 VAL HB &rst iat= -1,1122, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, &end # # 35 MET QE 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.536, r4= 5.346, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, igr2= 1124,1125,1126,1128,1129,1130, &end # # 35 MET QE 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 546,547,548, igr2= 1352,1353,1354,1356,1357,1358, &end # # 36 ALA H 36 ALA QB &rst iat= 552, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 556,557,558, &end # # 36 ALA HA 37 ILE H &rst iat= 554,562, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA HA 37 ILE HB &rst iat= 554,566, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA QB 37 ILE H &rst iat= -1,562, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 37 ILE HB &rst iat= -1,566, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 37 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, igr2= 568,569,570, &end # # 36 ALA QB 38 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, igr2= 592,593,594, &end # # 36 ALA QB 49 PRO HA &rst iat= -1,760, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 49 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, igr2= 757,758, &end # # 36 ALA QB 49 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, igr2= 754,755, &end # # 36 ALA QB 49 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, igr2= 751,752, &end # # 36 ALA HA 50 HIS H &rst iat= 554,764, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA HA 50 HIS HA &rst iat= 554,766, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA QB 50 HIS H &rst iat= -1,764, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA H 51 TRP HZ3 &rst iat= 552,798, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA HA 51 TRP HA &rst iat= 554,783, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA HA 51 TRP HE3 &rst iat= 554,800, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA QB 51 TRP H &rst iat= -1,781, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 51 TRP HA &rst iat= -1,783, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 51 TRP HD1 &rst iat= -1,789, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 51 TRP HE1 &rst iat= -1,791, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 51 TRP HE3 &rst iat= -1,800, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 51 TRP HZ2 &rst iat= -1,794, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 51 TRP HZ3 &rst iat= -1,798, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA QB 51 TRP HH2 &rst iat= -1,796, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 36 ALA HA 52 TYR H &rst iat= 554,805, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ALA HA 52 TYR QE &rst iat= 554, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 815,820, &end # # 36 ALA QB 52 TYR H &rst iat= -1,805, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557,558, &end # # 37 ILE H 37 ILE HB &rst iat= 562,566, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE H 37 ILE QG1 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 572,573, &end # # 37 ILE H 37 ILE QG2 &rst iat= 562, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 568,569,570, &end # # 37 ILE H 37 ILE QD1 &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 575,576,577, &end # # 37 ILE HA 37 ILE QG1 &rst iat= 564, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 572,573, &end # # 37 ILE HA 37 ILE QG2 &rst iat= 564, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 568,569,570, &end # # 37 ILE HA 37 ILE QD1 &rst iat= 564, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 575,576,577, &end # # 37 ILE HB 37 ILE QD1 &rst iat= 566, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 575,576,577, &end # # 37 ILE QG2 37 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, igr2= 572,573, &end # # 37 ILE QG2 37 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.176, r4= 4.896, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, igr2= 575,576,577, &end # # 37 ILE H 38 MET QE &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 592,593,594, &end # # 37 ILE HA 38 MET H &rst iat= 564,581, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE HA 38 MET HA &rst iat= 564,583, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE HA 38 MET QB &rst iat= 564, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 585,586, &end # # 37 ILE HB 38 MET H &rst iat= 566,581, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE QG1 38 MET H &rst iat= -1,581, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 572,573, &end # # 37 ILE QG2 38 MET H &rst iat= -1,581, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, &end # # 37 ILE QG2 38 MET HA &rst iat= -1,583, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, &end # # 37 ILE QG2 38 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, igr2= 592,593,594, &end # # 37 ILE QD1 38 MET H &rst iat= -1,581, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, &end # # 37 ILE HB 39 VAL QG &rst iat= 566, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605,606,608,609,610, &end # # 37 ILE QG2 39 VAL H &rst iat= -1,598, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, &end # # 37 ILE QG2 39 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, igr2= 604,605,606,608,609,610, &end # # 37 ILE H 49 PRO HA &rst iat= 562,760, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE H 49 PRO QB &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 757,758, &end # # 37 ILE QG2 49 PRO HA &rst iat= -1,760, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, &end # # 37 ILE H 50 HIS H &rst iat= 562,764, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE H 50 HIS QB &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 768,769, &end # # 37 ILE H 50 HIS HD2 &rst iat= 562,777, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE HB 50 HIS H &rst iat= 566,764, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ILE HB 50 HIS QB &rst iat= 566, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 768,769, &end # # 37 ILE QG2 50 HIS H &rst iat= -1,764, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, &end # # 37 ILE QG2 50 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, igr2= 768,769, &end # # 37 ILE QG2 50 HIS HD2 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, &end # # 37 ILE QD1 50 HIS H &rst iat= -1,764, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, &end # # 37 ILE QD1 50 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, igr2= 768,769, &end # # 37 ILE H 52 TYR QD &rst iat= 562, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 37 ILE H 52 TYR QE &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 815,820, &end # # 37 ILE HB 52 TYR QD &rst iat= 566, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 37 ILE HB 52 TYR QE &rst iat= 566, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 815,820, &end # # 37 ILE QG2 52 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, igr2= 815,820, &end # # 37 ILE QD1 52 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, igr2= 815,820, &end # # 37 ILE QG1 57 PHE HZ &rst iat= -1,896, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 572,573, &end # # 37 ILE QD1 57 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, igr2= 894,898, &end # # 37 ILE QD1 57 PHE HZ &rst iat= -1,896, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, &end # # 37 ILE QG2 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, igr2= 956,957,958,960,961,962, &end # # 37 ILE QD1 60 VAL HB &rst iat= -1,954, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, &end # # 37 ILE QD1 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, igr2= 956,957,958,960,961,962, &end # # 37 ILE QG2 62 HIS HE1 &rst iat= -1,982, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 568,569,570, &end # # 37 ILE QD1 62 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, igr2= 977,978, &end # # 37 ILE QD1 62 HIS HD2 &rst iat= -1,986, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, &end # # 37 ILE QD1 62 HIS HE1 &rst iat= -1,982, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 575,576,577, &end # # 38 MET H 38 MET QB &rst iat= 581, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 585,586, &end # # 38 MET H 38 MET QG &rst iat= 581, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 588,589, &end # # 38 MET H 38 MET QE &rst iat= 581, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 592,593,594, &end # # 38 MET HA 38 MET QE &rst iat= 583, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 592,593,594, &end # # 38 MET QG 38 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 588,589, igr2= 592,593,594, &end # # 38 MET H 39 VAL H &rst iat= 581,598, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 MET H 39 VAL QG &rst iat= 581, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605,606,608,609,610, &end # # 38 MET HA 39 VAL H &rst iat= 583,598, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 MET HA 39 VAL HB &rst iat= 583,602, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 MET HA 39 VAL QG &rst iat= 583, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605,606,608,609,610, &end # # 38 MET QB 39 VAL H &rst iat= -1,598, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, &end # # 38 MET QE 39 VAL H &rst iat= -1,598, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, &end # # 38 MET QG 47 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 588,589, igr2= 716,717, &end # # 38 MET QE 47 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, igr2= 716,717, &end # # 38 MET QE 47 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, igr2= 725,726, &end # # 38 MET QE 48 VAL H &rst iat= -1,734, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, &end # # 38 MET QE 48 VAL HA &rst iat= -1,736, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, &end # # 38 MET QE 48 VAL HB &rst iat= -1,738, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, &end # # 38 MET H 49 PRO HA &rst iat= 581,760, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 MET HA 49 PRO HA &rst iat= 583,760, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 MET HA 49 PRO QB &rst iat= 583, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 757,758, &end # # 38 MET QE 49 PRO HA &rst iat= -1,760, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, &end # # 38 MET QE 49 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, igr2= 757,758, &end # # 38 MET QE 49 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, igr2= 754,755, &end # # 38 MET QE 49 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, igr2= 751,752, &end # # 38 MET HA 50 HIS H &rst iat= 583,764, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 MET QE 50 HIS H &rst iat= -1,764, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, &end # # 38 MET QE 50 HIS HD2 &rst iat= -1,777, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593,594, &end # # 39 VAL H 39 VAL HB &rst iat= 598,602, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 VAL H 39 VAL QG &rst iat= 598, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605,606,608,609,610, &end # # 39 VAL HA 39 VAL QG &rst iat= 600, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605,606,608,609,610, &end # # 39 VAL H 40 GLN H &rst iat= 598,614, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 VAL HA 40 GLN H &rst iat= 600,614, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 VAL HA 40 GLN QG &rst iat= 600, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 621,622, &end # # 39 VAL HB 40 GLN H &rst iat= 602,614, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 VAL HB 40 GLN QG &rst iat= 602, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 621,622, &end # # 39 VAL QG 40 GLN H &rst iat= -1,614, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL QG 40 GLN HA &rst iat= -1,616, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL QG 40 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, igr2= 618,619, &end # # 39 VAL QG 40 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, igr2= 621,622, &end # # 39 VAL QG 41 SER H &rst iat= -1,631, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL QG 41 SER HA &rst iat= -1,633, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL H 47 LYS QB &rst iat= 598, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 716,717, &end # # 39 VAL HA 47 LYS QD &rst iat= 600, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 722,723, &end # # 39 VAL HA 47 LYS QE &rst iat= 600, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 725,726, &end # # 39 VAL QG 47 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, igr2= 722,723, &end # # 39 VAL H 48 VAL H &rst iat= 598,734, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 VAL H 48 VAL QG &rst iat= 598, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 39 VAL HA 48 VAL QG &rst iat= 600, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 39 VAL QG 48 VAL H &rst iat= -1,734, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL QG 48 VAL HB &rst iat= -1,738, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL QG 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, igr2= 740,741,742,744,745,746, &end # # 39 VAL H 49 PRO HA &rst iat= 598,760, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 VAL HB 50 HIS HE1 &rst iat= 602,773, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 VAL QG 50 HIS H &rst iat= -1,764, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL QG 50 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, igr2= 768,769, &end # # 39 VAL QG 50 HIS HD2 &rst iat= -1,777, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 39 VAL QG 50 HIS HE1 &rst iat= -1,773, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605,606,608,609,610, &end # # 40 GLN H 40 GLN QB &rst iat= 614, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 618,619, &end # # 40 GLN H 40 GLN QG &rst iat= 614, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 621,622, &end # # 40 GLN HA 40 GLN QB &rst iat= 616, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 618,619, &end # # 40 GLN HA 40 GLN QG &rst iat= 616, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 621,622, &end # # 40 GLN QB 40 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619, igr2= 621,622, &end # # 40 GLN H 41 SER H &rst iat= 614,631, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLN HA 41 SER H &rst iat= 616,631, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLN HA 41 SER QB &rst iat= 616, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 635,636, &end # # 40 GLN QB 41 SER H &rst iat= -1,631, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619, &end # # 40 GLN H 47 LYS QB &rst iat= 614, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 716,717, &end # # 40 GLN H 47 LYS QD &rst iat= 614, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 722,723, &end # # 40 GLN H 47 LYS QE &rst iat= 614, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 725,726, &end # # 40 GLN HA 47 LYS HA &rst iat= 616,714, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLN HA 47 LYS QB &rst iat= 616, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 716,717, &end # # 40 GLN HA 47 LYS QG &rst iat= 616, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 40 GLN HA 47 LYS QD &rst iat= 616, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 722,723, &end # # 40 GLN HA 47 LYS QE &rst iat= 616, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 725,726, &end # # 40 GLN QB 47 LYS HA &rst iat= -1,714, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619, &end # # 40 GLN QB 47 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619, igr2= 719,720, &end # # 40 GLN QB 47 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619, igr2= 722,723, &end # # 40 GLN QB 47 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619, igr2= 725,726, &end # # 40 GLN QG 47 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 621,622, igr2= 719,720, &end # # 40 GLN QG 47 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 621,622, igr2= 722,723, &end # # 40 GLN QG 47 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 621,622, igr2= 725,726, &end # # 40 GLN HA 48 VAL H &rst iat= 616,734, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLN HA 48 VAL QG &rst iat= 616, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 41 SER H 41 SER QB &rst iat= 631, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 635,636, &end # # 41 SER HA 41 SER QB &rst iat= 633, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 635,636, &end # # 41 SER H 42 PRO QD &rst iat= 631, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 643,644, &end # # 41 SER HA 42 PRO HA &rst iat= 633,652, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 SER HA 42 PRO QB &rst iat= 633, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 649,650, &end # # 41 SER HA 42 PRO QD &rst iat= 633, -1, r1= 0, r2= 0, r3= 2.912, r4= 3.472, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 643,644, &end # # 41 SER QB 42 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, igr2= 643,644, &end # # 41 SER H 43 MET H &rst iat= 631,656, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 SER HA 43 MET QE &rst iat= 633, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 667,668,669, &end # # 41 SER QB 43 MET H &rst iat= -1,656, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, &end # # 41 SER QB 43 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, igr2= 660,661, &end # # 41 SER H 44 PHE H &rst iat= 631,673, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 SER QB 44 PHE H &rst iat= -1,673, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, &end # # 41 SER QB 44 PHE HA &rst iat= -1,675, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, &end # # 41 SER QB 44 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, igr2= 677,678, &end # # 41 SER QB 44 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, igr2= 681,689, &end # # 41 SER QB 45 ASP H &rst iat= -1,693, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, &end # # 41 SER H 46 GLY H &rst iat= 631,705, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 SER H 46 GLY QA &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 707,708, &end # # 41 SER QB 46 GLY H &rst iat= -1,705, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, &end # # 41 SER H 47 LYS QG &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 41 SER H 47 LYS QD &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 722,723, &end # # 41 SER QB 47 LYS HA &rst iat= -1,714, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, &end # # 41 SER H 48 VAL H &rst iat= 631,734, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 SER H 48 VAL QG &rst iat= 631, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 41 SER HA 48 VAL QG &rst iat= 633, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 41 SER QB 48 VAL H &rst iat= -1,734, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, &end # # 41 SER QB 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 635,636, igr2= 740,741,742,744,745,746, &end # # 42 PRO QB 43 MET H &rst iat= -1,656, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 649,650, &end # # 42 PRO QG 43 MET H &rst iat= -1,656, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 646,647, &end # # 42 PRO QD 43 MET H &rst iat= -1,656, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, &end # # 42 PRO QD 43 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, igr2= 667,668,669, &end # # 42 PRO HA 44 PHE H &rst iat= 652,673, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 PRO QD 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, igr2= 740,741,742,744,745,746, &end # # 43 MET H 43 MET QB &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 660,661, &end # # 43 MET H 43 MET QG &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 663,664, &end # # 43 MET HA 43 MET QG &rst iat= 658, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 663,664, &end # # 43 MET HA 43 MET QE &rst iat= 658, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 667,668,669, &end # # 43 MET QB 43 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 660,661, igr2= 667,668,669, &end # # 43 MET QG 43 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 663,664, igr2= 667,668,669, &end # # 43 MET H 44 PHE H &rst iat= 656,673, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 MET HA 44 PHE QB &rst iat= 658, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 677,678, &end # # 43 MET QB 44 PHE H &rst iat= -1,673, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 660,661, &end # # 43 MET QB 44 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 660,661, igr2= 677,678, &end # # 43 MET QG 44 PHE H &rst iat= -1,673, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 663,664, &end # # 43 MET QE 44 PHE H &rst iat= -1,673, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 667,668,669, &end # # 43 MET QE 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.614, r4= 8.424, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 667,668,669, igr2= 740,741,742,744,745,746, &end # # 44 PHE H 44 PHE QD &rst iat= 673, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 681,689, &end # # 44 PHE HA 44 PHE QD &rst iat= 675, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 681,689, &end # # 44 PHE QB 44 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 677,678, igr2= 681,689, &end # # 44 PHE QB 44 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 677,678, igr2= 683,687, &end # # 44 PHE H 45 ASP H &rst iat= 673,693, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 PHE HA 45 ASP H &rst iat= 675,693, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 PHE QB 45 ASP H &rst iat= -1,693, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 677,678, &end # # 44 PHE HZ 45 ASP H &rst iat= 685,693, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 PHE HA 46 GLY H &rst iat= 675,705, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 PHE QB 46 GLY H &rst iat= -1,705, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 677,678, &end # # 44 PHE QD 46 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 681,689, igr2= 707,708, &end # # 44 PHE QE 46 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 683,687, igr2= 707,708, &end # # 44 PHE H 48 VAL QG &rst iat= 673, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 44 PHE QB 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 677,678, igr2= 740,741,742,744,745,746, &end # # 44 PHE QD 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 681,689, igr2= 740,741,742,744,745,746, &end # # 44 PHE QE 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 683,687, igr2= 740,741,742,744,745,746, &end # # 45 ASP H 45 ASP QB &rst iat= 693, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 697,698, &end # # 45 ASP HA 45 ASP QB &rst iat= 695, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 697,698, &end # # 45 ASP H 46 GLY H &rst iat= 693,705, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 ASP HA 46 GLY H &rst iat= 695,705, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 ASP HA 46 GLY QA &rst iat= 695, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 707,708, &end # # 45 ASP QB 46 GLY H &rst iat= -1,705, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 697,698, &end # # 45 ASP QB 46 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 697,698, igr2= 707,708, &end # # 45 ASP H 48 VAL QG &rst iat= 693, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 46 GLY H 47 LYS H &rst iat= 705,712, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 GLY H 47 LYS QG &rst iat= 705, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 46 GLY QA 47 LYS H &rst iat= -1,712, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 707,708, &end # # 46 GLY QA 47 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 707,708, igr2= 716,717, &end # # 46 GLY QA 47 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 707,708, igr2= 719,720, &end # # 46 GLY QA 47 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 707,708, igr2= 722,723, &end # # 46 GLY QA 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 707,708, igr2= 740,741,742,744,745,746, &end # # 47 LYS H 47 LYS QB &rst iat= 712, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 716,717, &end # # 47 LYS H 47 LYS QG &rst iat= 712, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 47 LYS H 47 LYS QE &rst iat= 712, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 725,726, &end # # 47 LYS HA 47 LYS QG &rst iat= 714, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 47 LYS QB 47 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717, igr2= 722,723, &end # # 47 LYS QB 47 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717, igr2= 725,726, &end # # 47 LYS QG 47 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 719,720, igr2= 725,726, &end # # 47 LYS QD 47 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 722,723, igr2= 725,726, &end # # 47 LYS H 48 VAL HA &rst iat= 712,736, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 LYS QB 48 VAL H &rst iat= -1,734, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717, &end # # 47 LYS QB 48 VAL HA &rst iat= -1,736, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717, &end # # 47 LYS QG 48 VAL H &rst iat= -1,734, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 719,720, &end # # 47 LYS QD 48 VAL H &rst iat= -1,734, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 722,723, &end # # 47 LYS QD 48 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 722,723, igr2= 740,741,742,744,745,746, &end # # 48 VAL H 48 VAL HB &rst iat= 734,738, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 VAL H 48 VAL QG &rst iat= 734, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 48 VAL HA 48 VAL QG &rst iat= 736, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 740,741,742,744,745,746, &end # # 48 VAL H 49 PRO QD &rst iat= 734, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 751,752, &end # # 48 VAL HA 49 PRO QG &rst iat= 736, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 754,755, &end # # 48 VAL HA 49 PRO QD &rst iat= 736, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 751,752, &end # # 48 VAL HB 49 PRO QD &rst iat= 738, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 751,752, &end # # 48 VAL QG 49 PRO HA &rst iat= -1,760, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 740,741,742,744,745,746, &end # # 48 VAL QG 49 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 740,741,742,744,745,746, igr2= 754,755, &end # # 48 VAL QG 49 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 740,741,742,744,745,746, igr2= 751,752, &end # # 48 VAL QG 50 HIS HD2 &rst iat= -1,777, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 740,741,742,744,745,746, &end # # 48 VAL QG 50 HIS HE1 &rst iat= -1,773, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 740,741,742,744,745,746, &end # # 49 PRO HA 50 HIS H &rst iat= 760,764, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 PRO QB 50 HIS H &rst iat= -1,764, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758, &end # # 49 PRO QB 51 TRP HD1 &rst iat= -1,789, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758, &end # # 49 PRO QB 51 TRP HE1 &rst iat= -1,791, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758, &end # # 49 PRO QB 51 TRP HZ2 &rst iat= -1,794, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758, &end # # 49 PRO QG 51 TRP HD1 &rst iat= -1,789, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 754,755, &end # # 49 PRO QG 51 TRP HE1 &rst iat= -1,791, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 754,755, &end # # 49 PRO QG 51 TRP HZ2 &rst iat= -1,794, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 754,755, &end # # 49 PRO QD 51 TRP HE1 &rst iat= -1,791, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752, &end # # 50 HIS H 50 HIS QB &rst iat= 764, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 768,769, &end # # 50 HIS H 50 HIS HD2 &rst iat= 764,777, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 HIS HA 50 HIS HD2 &rst iat= 766,777, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 HIS H 51 TRP H &rst iat= 764,781, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 HIS HA 51 TRP H &rst iat= 766,781, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 HIS HA 51 TRP HD1 &rst iat= 766,789, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 HIS HD2 51 TRP H &rst iat= 777,781, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 HIS H 52 TYR QE &rst iat= 764, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 815,820, &end # # 50 HIS QB 52 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 768,769, igr2= 815,820, &end # # 51 TRP H 51 TRP QB &rst iat= 781, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 785,786, &end # # 51 TRP H 51 TRP HD1 &rst iat= 781,789, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 TRP HA 51 TRP HD1 &rst iat= 783,789, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 TRP HA 51 TRP HE3 &rst iat= 783,800, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 TRP H 52 TYR H &rst iat= 781,805, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 TRP H 52 TYR QD &rst iat= 781, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 51 TRP HA 52 TYR H &rst iat= 783,805, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 TRP HA 52 TYR QB &rst iat= 783, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810, &end # # 51 TRP HA 52 TYR QD &rst iat= 783, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 51 TRP QB 52 TYR H &rst iat= -1,805, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 785,786, &end # # 51 TRP HE3 52 TYR H &rst iat= 800,805, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR HA 52 TYR QD &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 813,822, &end # # 52 TYR QB 52 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810, igr2= 815,820, &end # # 52 TYR HA 53 HIS H &rst iat= 807,826, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR QB 53 HIS H &rst iat= -1,826, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810, &end # # 52 TYR QB 56 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810, igr2= 879,878, &end # # 52 TYR QD 56 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 813,822, igr2= 879,878, &end # # 52 TYR QB 57 PHE HA &rst iat= -1,886, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810, &end # # 52 TYR QE 57 PHE HA &rst iat= -1,886, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 815,820, &end # # 52 TYR QD 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 813,822, igr2= 956,957,958,960,961,962, &end # # 52 TYR QE 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 815,820, igr2= 956,957,958,960,961,962, &end # # 53 HIS H 53 HIS QB &rst iat= 826, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 830,831, &end # # 53 HIS HA 53 HIS HD2 &rst iat= 828,839, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 HIS HA 54 PHE H &rst iat= 828,843, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 HIS HA 54 PHE HA &rst iat= 828,845, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 HIS HA 54 PHE QB &rst iat= 828, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 847,848, &end # # 53 HIS QB 54 PHE H &rst iat= -1,843, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, &end # # 53 HIS QB 55 SER H &rst iat= -1,863, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, &end # # 53 HIS QB 55 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, igr2= 867,868, &end # # 53 HIS H 56 CYS H &rst iat= 826,874, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 HIS H 56 CYS QB &rst iat= 826, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,878, &end # # 53 HIS QB 56 CYS H &rst iat= -1,874, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, &end # # 53 HIS QB 56 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, igr2= 879,878, &end # # 53 HIS QB 57 PHE H &rst iat= -1,884, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, &end # # 54 PHE H 54 PHE QB &rst iat= 843, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 847,848, &end # # 54 PHE H 54 PHE QD &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 851,859, &end # # 54 PHE HA 54 PHE QD &rst iat= 845, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 851,859, &end # # 54 PHE H 55 SER H &rst iat= 843,863, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 PHE QB 55 SER H &rst iat= -1,863, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 847,848, &end # # 54 PHE QB 55 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 847,848, igr2= 867,868, &end # # 54 PHE QD 55 SER HA &rst iat= -1,865, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,859, &end # # 54 PHE QE 55 SER HA &rst iat= -1,865, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, &end # # 54 PHE H 56 CYS H &rst iat= 843,874, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 PHE HA 58 TRP HE1 &rst iat= 845,914, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 PHE QD 58 TRP HE1 &rst iat= -1,914, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,859, &end # # 54 PHE QD 58 TRP HZ2 &rst iat= -1,917, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,859, &end # # 54 PHE QE 58 TRP HE1 &rst iat= -1,914, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, &end # # 54 PHE QE 58 TRP HZ2 &rst iat= -1,917, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, &end # # 54 PHE HZ 58 TRP HD1 &rst iat= 855,912, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 PHE HZ 58 TRP HE1 &rst iat= 855,914, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 PHE QD 84 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,859, igr2= 1334,1335, &end # # 54 PHE QE 84 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, igr2= 1328,1329, &end # # 54 PHE QE 84 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, igr2= 1331,1332, &end # # 54 PHE QE 84 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, igr2= 1334,1335, &end # # 54 PHE QE 84 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, igr2= 1337,1338, &end # # 54 PHE HZ 84 LYS QD &rst iat= 855, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1334,1335, &end # # 54 PHE QD 85 VAL HA &rst iat= -1,1348, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,859, &end # # 54 PHE QD 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,859, igr2= 1352,1353,1354,1356,1357,1358, &end # # 54 PHE QE 85 VAL HA &rst iat= -1,1348, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, &end # # 54 PHE QE 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, igr2= 1352,1353,1354,1356,1357,1358, &end # # 54 PHE HZ 85 VAL HA &rst iat= 855,1348, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 PHE HZ 85 VAL QG &rst iat= 855, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 54 PHE QE 88 THR HB &rst iat= -1,1410, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, &end # # 54 PHE QE 88 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,857, igr2= 1412,1413,1414, &end # # 54 PHE HZ 88 THR HB &rst iat= 855,1410, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 PHE HZ 88 THR QG2 &rst iat= 855, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 55 SER H 55 SER QB &rst iat= 863, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 867,868, &end # # 55 SER H 56 CYS H &rst iat= 863,874, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 SER H 56 CYS HA &rst iat= 863,876, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 SER QB 56 CYS H &rst iat= -1,874, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 867,868, &end # # 55 SER H 57 PHE H &rst iat= 863,884, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 SER HA 58 TRP H &rst iat= 865,904, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 SER HA 58 TRP QB &rst iat= 865, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 908,909, &end # # 55 SER HA 58 TRP HD1 &rst iat= 865,912, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 SER HA 58 TRP HE1 &rst iat= 865,914, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 SER HA 94 VAL H &rst iat= 865,1469, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 SER HA 94 VAL QG &rst iat= 865, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1475,1476,1477,1479,1480,1481, &end # # 56 CYS H 56 CYS QB &rst iat= 874, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,878, &end # # 56 CYS H 57 PHE H &rst iat= 874,884, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 CYS QB 57 PHE H &rst iat= -1,884, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 879,878, &end # # 56 CYS QB 57 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 879,878, igr2= 888,889, &end # # 56 CYS HA 58 TRP H &rst iat= 876,904, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 CYS HA 59 LYS H &rst iat= 876,928, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 CYS HA 59 LYS QB &rst iat= 876, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 932,933, &end # # 56 CYS HA 59 LYS QG &rst iat= 876, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,936, &end # # 56 CYS HA 59 LYS QD &rst iat= 876, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 938,939, &end # # 56 CYS HA 59 LYS QE &rst iat= 876, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 941,942, &end # # 56 CYS QB 59 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 879,878, igr2= 935,936, &end # # 57 PHE H 57 PHE QB &rst iat= 884, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 888,889, &end # # 57 PHE HA 57 PHE QD &rst iat= 886, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 892,900, &end # # 57 PHE H 58 TRP H &rst iat= 884,904, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 PHE QB 58 TRP H &rst iat= -1,904, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 888,889, &end # # 57 PHE QB 58 TRP HD1 &rst iat= -1,912, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 888,889, &end # # 57 PHE QB 58 TRP HE1 &rst iat= -1,914, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 888,889, &end # # 57 PHE QD 58 TRP H &rst iat= -1,904, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 892,900, &end # # 57 PHE QD 58 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 892,900, igr2= 908,909, &end # # 57 PHE QE 58 TRP HA &rst iat= -1,906, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,898, &end # # 57 PHE QE 58 TRP HE3 &rst iat= -1,923, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,898, &end # # 57 PHE H 59 LYS H &rst iat= 884,928, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 PHE HA 59 LYS H &rst iat= 886,928, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 PHE H 60 VAL H &rst iat= 884,950, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 PHE H 60 VAL QG &rst iat= 884, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 57 PHE HA 60 VAL H &rst iat= 886,950, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 PHE HA 60 VAL HB &rst iat= 886,954, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 PHE HA 60 VAL QG &rst iat= 886, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 57 PHE QB 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 888,889, igr2= 956,957,958,960,961,962, &end # # 57 PHE QD 60 VAL H &rst iat= -1,950, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 892,900, &end # # 57 PHE QE 64 ILE HB &rst iat= -1,1005, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,898, &end # # 57 PHE QE 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,898, igr2= 1014,1015,1016, &end # # 57 PHE HZ 64 ILE QD1 &rst iat= 896, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1014,1015,1016, &end # # 57 PHE QD 88 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 892,900, igr2= 1412,1413,1414, &end # # 58 TRP H 58 TRP QB &rst iat= 904, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 908,909, &end # # 58 TRP H 58 TRP HD1 &rst iat= 904,912, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP H 58 TRP HE1 &rst iat= 904,914, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HA 58 TRP HE3 &rst iat= 906,923, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HA 58 TRP HZ3 &rst iat= 906,921, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP QB 58 TRP HE1 &rst iat= -1,914, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 908,909, &end # # 58 TRP H 59 LYS H &rst iat= 904,928, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP H 59 LYS QB &rst iat= 904, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 932,933, &end # # 58 TRP QB 59 LYS H &rst iat= -1,928, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 908,909, &end # # 58 TRP HA 60 VAL H &rst iat= 906,950, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HA 60 VAL QG &rst iat= 906, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 58 TRP HA 61 GLY H &rst iat= 906,966, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ3 63 SER HA &rst iat= 921,992, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ3 64 ILE HB &rst iat= 921,1005, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ2 64 ILE QG2 &rst iat= 917, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1007,1008,1009, &end # # 58 TRP HZ3 64 ILE QG1 &rst iat= 921, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1011,1012, &end # # 58 TRP HH2 64 ILE HB &rst iat= 919,1005, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HH2 64 ILE QG2 &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1007,1008,1009, &end # # 58 TRP HH2 64 ILE QD1 &rst iat= 919, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1014,1015,1016, &end # # 58 TRP HE1 85 VAL QG &rst iat= 914, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 58 TRP HZ2 85 VAL HA &rst iat= 917,1348, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ2 85 VAL QG &rst iat= 917, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 58 TRP HH2 85 VAL HA &rst iat= 919,1348, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HH2 85 VAL QG &rst iat= 919, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 58 TRP HA 88 THR QG2 &rst iat= 906, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 58 TRP QB 88 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 908,909, igr2= 1412,1413,1414, &end # # 58 TRP HD1 88 THR QG2 &rst iat= 912, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 58 TRP HE1 88 THR HB &rst iat= 914,1410, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HE1 88 THR QG2 &rst iat= 914, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 58 TRP HE3 88 THR QG2 &rst iat= 923, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 58 TRP HZ2 88 THR H &rst iat= 917,1406, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ2 88 THR HB &rst iat= 917,1410, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ2 88 THR QG2 &rst iat= 917, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 58 TRP HE3 89 ALA HA &rst iat= 923,1422, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HE3 89 ALA QB &rst iat= 923, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 58 TRP HZ2 89 ALA H &rst iat= 917,1420, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ3 89 ALA HA &rst iat= 921,1422, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HZ2 89 ALA QB &rst iat= 917, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 58 TRP HH2 89 ALA HA &rst iat= 919,1422, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP HH2 89 ALA QB &rst iat= 919, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 58 TRP HE3 92 GLY QA &rst iat= 923, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1457,1458, &end # # 58 TRP QB 93 GLY H &rst iat= -1,1462, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 908,909, &end # # 58 TRP QB 93 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 908,909, igr2= 1464,1465, &end # # 58 TRP HE3 93 GLY H &rst iat= 923,1462, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 TRP QB 94 VAL H &rst iat= -1,1469, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 908,909, &end # # 58 TRP HD1 94 VAL QG &rst iat= 912, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1475,1476,1477,1479,1480,1481, &end # # 59 LYS H 59 LYS QB &rst iat= 928, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 932,933, &end # # 59 LYS H 59 LYS QG &rst iat= 928, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,936, &end # # 59 LYS H 59 LYS QD &rst iat= 928, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 938,939, &end # # 59 LYS HA 59 LYS QG &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,936, &end # # 59 LYS HA 59 LYS QD &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 938,939, &end # # 59 LYS HA 59 LYS QE &rst iat= 930, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 941,942, &end # # 59 LYS QB 59 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 932,933, igr2= 938,939, &end # # 59 LYS QB 59 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 932,933, igr2= 941,942, &end # # 59 LYS QG 59 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,936, igr2= 941,942, &end # # 59 LYS H 60 VAL H &rst iat= 928,950, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS H 60 VAL QG &rst iat= 928, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 59 LYS HA 60 VAL HA &rst iat= 930,952, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS HA 60 VAL QG &rst iat= 930, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 59 LYS QB 60 VAL H &rst iat= -1,950, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 932,933, &end # # 59 LYS QG 60 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,936, igr2= 956,957,958,960,961,962, &end # # 59 LYS HA 61 GLY H &rst iat= 930,966, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS QG 61 GLY H &rst iat= -1,966, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,936, &end # # 60 VAL H 60 VAL HB &rst iat= 950,954, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 VAL H 60 VAL QG &rst iat= 950, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 60 VAL HA 60 VAL QG &rst iat= 952, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958,960,961,962, &end # # 60 VAL H 61 GLY H &rst iat= 950,966, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 VAL H 61 GLY QA &rst iat= 950, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 968,969, &end # # 60 VAL HB 61 GLY H &rst iat= 954,966, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 VAL QG 61 GLY H &rst iat= -1,966, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958,960,961,962, &end # # 60 VAL QG 61 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958,960,961,962, igr2= 968,969, &end # # 60 VAL H 62 HIS H &rst iat= 950,973, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 VAL HB 62 HIS H &rst iat= 954,973, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 VAL HB 62 HIS HD2 &rst iat= 954,986, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 VAL QG 62 HIS H &rst iat= -1,973, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958,960,961,962, &end # # 60 VAL QG 62 HIS HD2 &rst iat= -1,986, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958,960,961,962, &end # # 62 HIS H 62 HIS QB &rst iat= 973, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 977,978, &end # # 62 HIS H 62 HIS HD2 &rst iat= 973,986, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 HIS HA 62 HIS HD2 &rst iat= 975,986, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 HIS HA 63 SER HA &rst iat= 975,992, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 HIS QB 63 SER H &rst iat= -1,990, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 977,978, &end # # 62 HIS QB 63 SER HA &rst iat= -1,992, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 977,978, &end # # 62 HIS QB 64 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 977,978, igr2= 1011,1012, &end # # 62 HIS QB 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 977,978, igr2= 1014,1015,1016, &end # # 63 SER HA 63 SER QB &rst iat= 992, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 994,995, &end # # 63 SER H 64 ILE H &rst iat= 990,1001, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 SER HA 64 ILE H &rst iat= 992,1001, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 SER HA 64 ILE HA &rst iat= 992,1003, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 SER HA 64 ILE HB &rst iat= 992,1005, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 SER HA 64 ILE QG1 &rst iat= 992, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1011,1012, &end # # 63 SER QB 64 ILE H &rst iat= -1,1001, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 994,995, &end # # 63 SER QB 64 ILE HA &rst iat= -1,1003, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 994,995, &end # # 63 SER QB 65 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 994,995, igr2= 1030,1031, &end # # 63 SER HA 89 ALA QB &rst iat= 992, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 64 ILE H 64 ILE HB &rst iat= 1001,1005, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE H 64 ILE QG1 &rst iat= 1001, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1011,1012, &end # # 64 ILE H 64 ILE QG2 &rst iat= 1001, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1007,1008,1009, &end # # 64 ILE HA 64 ILE QG1 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1011,1012, &end # # 64 ILE HA 64 ILE QG2 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1007,1008,1009, &end # # 64 ILE HA 64 ILE QD1 &rst iat= 1003, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1014,1015,1016, &end # # 64 ILE HB 64 ILE QD1 &rst iat= 1005, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1014,1015,1016, &end # # 64 ILE QG2 64 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1011,1012, &end # # 64 ILE QG2 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.32, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1014,1015,1016, &end # # 64 ILE H 65 ARG H &rst iat= 1001,1020, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE H 65 ARG HA &rst iat= 1001,1022, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE H 65 ARG QD &rst iat= 1001, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1030,1031, &end # # 64 ILE HA 65 ARG H &rst iat= 1003,1020, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE HA 65 ARG QD &rst iat= 1003, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1030,1031, &end # # 64 ILE HB 65 ARG H &rst iat= 1005,1020, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE QG1 65 ARG H &rst iat= -1,1020, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1011,1012, &end # # 64 ILE QG2 65 ARG H &rst iat= -1,1020, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE QG2 65 ARG HA &rst iat= -1,1022, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE HA 66 HIS HD2 &rst iat= 1003,1057, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE QG2 66 HIS H &rst iat= -1,1044, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE QG2 66 HIS HA &rst iat= -1,1046, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE QG2 66 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1048,1049, &end # # 64 ILE QG2 66 HIS HD2 &rst iat= -1,1057, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE HA 67 PRO QD &rst iat= 1003, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 64 ILE HB 67 PRO HA &rst iat= 1005,1071, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE QG2 67 PRO HA &rst iat= -1,1071, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE QG2 67 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1068,1069, &end # # 64 ILE QG2 67 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1065,1066, &end # # 64 ILE QG2 67 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1062,1063, &end # # 64 ILE QD1 67 PRO HA &rst iat= -1,1071, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, &end # # 64 ILE QD1 67 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, igr2= 1065,1066, &end # # 64 ILE QD1 67 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, igr2= 1062,1063, &end # # 64 ILE QG2 68 ASP H &rst iat= -1,1075, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE QG2 70 GLU H &rst iat= -1,1103, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE QG2 70 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1107,1108, &end # # 64 ILE QG2 70 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1110,1111, &end # # 64 ILE QD1 70 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, igr2= 1107,1108, &end # # 64 ILE HA 71 VAL QG &rst iat= 1003, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 64 ILE HB 71 VAL QG &rst iat= 1005, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 64 ILE QG2 71 VAL H &rst iat= -1,1118, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, &end # # 64 ILE QG1 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1011,1012, igr2= 1124,1125,1126,1128,1129,1130, &end # # 64 ILE QG2 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1124,1125,1126,1128,1129,1130, &end # # 64 ILE QD1 71 VAL H &rst iat= -1,1118, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, &end # # 64 ILE QD1 71 VAL HA &rst iat= -1,1120, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, &end # # 64 ILE QD1 71 VAL HB &rst iat= -1,1122, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, &end # # 64 ILE QD1 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, igr2= 1124,1125,1126,1128,1129,1130, &end # # 64 ILE QD1 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.91, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, igr2= 1352,1353,1354,1356,1357,1358, &end # # 64 ILE H 89 ALA HA &rst iat= 1001,1422, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE H 89 ALA QB &rst iat= 1001, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 64 ILE HA 89 ALA QB &rst iat= 1003, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 64 ILE HB 89 ALA H &rst iat= 1005,1420, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE HB 89 ALA HA &rst iat= 1005,1422, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE HB 89 ALA QB &rst iat= 1005, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 64 ILE QG2 89 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.328, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1007,1008,1009, igr2= 1424,1425,1426, &end # # 64 ILE QD1 89 ALA HA &rst iat= -1,1422, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, &end # # 64 ILE QD1 89 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015,1016, igr2= 1424,1425,1426, &end # # 65 ARG H 65 ARG QB &rst iat= 1020, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1024,1025, &end # # 65 ARG H 65 ARG QG &rst iat= 1020, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1027,1028, &end # # 65 ARG H 65 ARG QD &rst iat= 1020, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1030,1031, &end # # 65 ARG HA 65 ARG QG &rst iat= 1022, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1027,1028, &end # # 65 ARG HA 65 ARG QD &rst iat= 1022, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1030,1031, &end # # 65 ARG QB 65 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1024,1025, igr2= 1030,1031, &end # # 65 ARG H 66 HIS H &rst iat= 1020,1044, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG QB 66 HIS H &rst iat= -1,1044, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1024,1025, &end # # 65 ARG QB 66 HIS HD2 &rst iat= -1,1057, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1024,1025, &end # # 65 ARG QG 66 HIS H &rst iat= -1,1044, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1027,1028, &end # # 65 ARG QG 66 HIS HA &rst iat= -1,1046, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1027,1028, &end # # 65 ARG QG 66 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1027,1028, igr2= 1048,1049, &end # # 65 ARG QG 66 HIS HD2 &rst iat= -1,1057, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1027,1028, &end # # 65 ARG QG 66 HIS HE1 &rst iat= -1,1053, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1027,1028, &end # # 65 ARG QD 66 HIS H &rst iat= -1,1044, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1030,1031, &end # # 65 ARG QD 66 HIS HD2 &rst iat= -1,1057, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1030,1031, &end # # 65 ARG HA 67 PRO QD &rst iat= 1022, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 66 HIS H 66 HIS QB &rst iat= 1044, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1048,1049, &end # # 66 HIS H 66 HIS HD2 &rst iat= 1044,1057, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS HA 66 HIS HD2 &rst iat= 1046,1057, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS QB 66 HIS HD2 &rst iat= -1,1057, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, &end # # 66 HIS QB 66 HIS HE1 &rst iat= -1,1053, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, &end # # 66 HIS H 67 PRO HA &rst iat= 1044,1071, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS H 67 PRO QD &rst iat= 1044, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 66 HIS HA 67 PRO HA &rst iat= 1046,1071, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS HA 67 PRO QG &rst iat= 1046, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1065,1066, &end # # 66 HIS HA 67 PRO QD &rst iat= 1046, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 66 HIS QB 67 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, igr2= 1062,1063, &end # # 66 HIS HD2 67 PRO QD &rst iat= 1057, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 66 HIS HA 68 ASP H &rst iat= 1046,1075, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS QB 68 ASP H &rst iat= -1,1075, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, &end # # 66 HIS H 69 VAL QG &rst iat= 1044, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1093,1094,1095,1097,1098,1099, &end # # 66 HIS HA 69 VAL H &rst iat= 1046,1087, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS HA 69 VAL HB &rst iat= 1046,1091, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS HA 69 VAL QG &rst iat= 1046, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1093,1094,1095,1097,1098,1099, &end # # 66 HIS QB 69 VAL H &rst iat= -1,1087, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, &end # # 66 HIS QB 69 VAL HB &rst iat= -1,1091, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, &end # # 66 HIS QB 69 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, igr2= 1093,1094,1095,1097,1098,1099, &end # # 66 HIS HD2 69 VAL QG &rst iat= 1057, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1093,1094,1095,1097,1098,1099, &end # # 66 HIS H 70 GLU H &rst iat= 1044,1103, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 HIS H 70 GLU QB &rst iat= 1044, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1107,1108, &end # # 66 HIS H 70 GLU QG &rst iat= 1044, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1110,1111, &end # # 66 HIS QB 70 GLU H &rst iat= -1,1103, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, &end # # 66 HIS QB 70 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1048,1049, igr2= 1110,1111, &end # # 66 HIS HE1 70 GLU QG &rst iat= 1053, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1110,1111, &end # # 67 PRO QB 68 ASP H &rst iat= -1,1075, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1068,1069, &end # # 67 PRO QB 68 ASP HA &rst iat= -1,1077, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1068,1069, &end # # 67 PRO QG 68 ASP H &rst iat= -1,1075, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, &end # # 67 PRO QG 68 ASP HA &rst iat= -1,1077, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, &end # # 67 PRO QD 68 ASP H &rst iat= -1,1075, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 PRO QD 68 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1079,1080, &end # # 67 PRO HA 69 VAL H &rst iat= 1071,1087, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 PRO HA 69 VAL QG &rst iat= 1071, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1093,1094,1095,1097,1098,1099, &end # # 67 PRO QB 69 VAL H &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1068,1069, &end # # 67 PRO QG 69 VAL H &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, &end # # 67 PRO QD 69 VAL H &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 PRO HA 70 GLU H &rst iat= 1071,1103, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 PRO HA 70 GLU QB &rst iat= 1071, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1107,1108, &end # # 67 PRO QD 70 GLU H &rst iat= -1,1103, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 PRO HA 71 VAL H &rst iat= 1071,1118, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 PRO HA 71 VAL QG &rst iat= 1071, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 67 PRO QB 71 VAL H &rst iat= -1,1118, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1068,1069, &end # # 67 PRO QB 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1068,1069, igr2= 1124,1125,1126,1128,1129,1130, &end # # 67 PRO QG 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, igr2= 1124,1125,1126,1128,1129,1130, &end # # 67 PRO QD 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1124,1125,1126,1128,1129,1130, &end # # 67 PRO QB 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1068,1069, igr2= 1352,1353,1354,1356,1357,1358, &end # # 67 PRO QG 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, igr2= 1352,1353,1354,1356,1357,1358, &end # # 67 PRO QG 86 LYS HA &rst iat= -1,1364, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, &end # # 67 PRO QG 86 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, igr2= 1375,1376, &end # # 67 PRO QD 86 LYS HA &rst iat= -1,1364, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 PRO QD 86 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1366,1367, &end # # 67 PRO QD 86 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1369,1370, &end # # 67 PRO QG 89 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, igr2= 1424,1425,1426, &end # # 67 PRO QD 89 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1424,1425,1426, &end # # 68 ASP H 68 ASP QB &rst iat= 1075, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1079,1080, &end # # 68 ASP H 69 VAL H &rst iat= 1075,1087, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 ASP H 69 VAL HA &rst iat= 1075,1089, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 ASP H 69 VAL QG &rst iat= 1075, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1093,1094,1095,1097,1098,1099, &end # # 68 ASP HA 69 VAL HA &rst iat= 1077,1089, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 ASP QB 69 VAL H &rst iat= -1,1087, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1079,1080, &end # # 68 ASP QB 69 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1079,1080, igr2= 1093,1094,1095,1097,1098,1099, &end # # 68 ASP H 70 GLU H &rst iat= 1075,1103, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 ASP HA 70 GLU H &rst iat= 1077,1103, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 ASP H 71 VAL QG &rst iat= 1075, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 68 ASP HA 71 VAL QG &rst iat= 1077, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 68 ASP HA 74 PHE QE &rst iat= 1077, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1163,1167, &end # # 68 ASP QB 74 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1079,1080, igr2= 1161,1169, &end # # 68 ASP QB 74 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1079,1080, igr2= 1163,1167, &end # # 68 ASP QB 74 PHE HZ &rst iat= -1,1165, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1079,1080, &end # # 68 ASP HA 85 VAL QG &rst iat= 1077, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 68 ASP H 86 LYS QD &rst iat= 1075, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1372,1373, &end # # 68 ASP H 86 LYS QE &rst iat= 1075, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1375,1376, &end # # 68 ASP HA 86 LYS QG &rst iat= 1077, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1369,1370, &end # # 68 ASP QB 86 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1079,1080, igr2= 1372,1373, &end # # 68 ASP QB 86 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1079,1080, igr2= 1375,1376, &end # # 69 VAL H 69 VAL HB &rst iat= 1087,1091, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL H 69 VAL QG &rst iat= 1087, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1093,1094,1095,1097,1098,1099, &end # # 69 VAL HA 69 VAL QG &rst iat= 1089, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1093,1094,1095,1097,1098,1099, &end # # 69 VAL H 70 GLU H &rst iat= 1087,1103, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL H 70 GLU HA &rst iat= 1087,1105, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL HA 70 GLU QG &rst iat= 1089, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1110,1111, &end # # 69 VAL HB 70 GLU H &rst iat= 1091,1103, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL QG 70 GLU H &rst iat= -1,1103, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1093,1094,1095,1097,1098,1099, &end # # 69 VAL QG 70 GLU HA &rst iat= -1,1105, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1093,1094,1095,1097,1098,1099, &end # # 69 VAL QG 70 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1093,1094,1095,1097,1098,1099, igr2= 1107,1108, &end # # 69 VAL QG 70 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1093,1094,1095,1097,1098,1099, igr2= 1110,1111, &end # # 69 VAL H 71 VAL H &rst iat= 1087,1118, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL H 71 VAL QG &rst iat= 1087, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 69 VAL QG 71 VAL H &rst iat= -1,1118, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1093,1094,1095,1097,1098,1099, &end # # 70 GLU H 70 GLU QB &rst iat= 1103, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1107,1108, &end # # 70 GLU H 70 GLU QG &rst iat= 1103, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1110,1111, &end # # 70 GLU HA 70 GLU QG &rst iat= 1105, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1110,1111, &end # # 70 GLU H 71 VAL QG &rst iat= 1103, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 70 GLU QB 71 VAL H &rst iat= -1,1118, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1107,1108, &end # # 70 GLU QB 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1107,1108, igr2= 1124,1125,1126,1128,1129,1130, &end # # 70 GLU QG 71 VAL H &rst iat= -1,1118, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1110,1111, &end # # 70 GLU QG 71 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1110,1111, igr2= 1124,1125,1126,1128,1129,1130, &end # # 70 GLU HA 72 ASP QB &rst iat= 1105, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139, &end # # 71 VAL H 71 VAL HB &rst iat= 1118,1122, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 VAL H 71 VAL QG &rst iat= 1118, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 71 VAL HA 71 VAL QG &rst iat= 1120, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1124,1125,1126,1128,1129,1130, &end # # 71 VAL H 72 ASP H &rst iat= 1118,1134, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 VAL HA 72 ASP H &rst iat= 1120,1134, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 VAL HA 72 ASP QB &rst iat= 1120, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139, &end # # 71 VAL HB 72 ASP H &rst iat= 1122,1134, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 VAL QG 72 ASP H &rst iat= -1,1134, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, &end # # 71 VAL QG 72 ASP HA &rst iat= -1,1136, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, &end # # 71 VAL QG 72 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, igr2= 1138,1139, &end # # 71 VAL QG 73 GLY H &rst iat= -1,1146, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, &end # # 71 VAL HB 74 PHE H &rst iat= 1122,1153, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 VAL HB 74 PHE QB &rst iat= 1122, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1157,1158, &end # # 71 VAL HB 74 PHE QD &rst iat= 1122, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1161,1169, &end # # 71 VAL QG 74 PHE H &rst iat= -1,1153, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, &end # # 71 VAL QG 74 PHE HA &rst iat= -1,1155, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, &end # # 71 VAL QG 74 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, igr2= 1157,1158, &end # # 71 VAL QG 74 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, igr2= 1161,1169, &end # # 71 VAL QG 75 SER H &rst iat= -1,1173, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1124,1125,1126,1128,1129,1130, &end # # 72 ASP H 72 ASP QB &rst iat= 1134, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139, &end # # 72 ASP HA 73 GLY H &rst iat= 1136,1146, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ASP HA 73 GLY QA &rst iat= 1136, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1148,1149, &end # # 72 ASP QB 73 GLY H &rst iat= -1,1146, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1138,1139, &end # # 72 ASP H 74 PHE H &rst iat= 1134,1153, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ASP HA 74 PHE H &rst iat= 1136,1153, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 GLY H 74 PHE H &rst iat= 1146,1153, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 GLY QA 75 SER H &rst iat= -1,1173, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1148,1149, &end # # 73 GLY H 76 GLU QG &rst iat= 1146, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1191,1192, &end # # 73 GLY QA 76 GLU H &rst iat= -1,1184, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1148,1149, &end # # 73 GLY QA 76 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1148,1149, igr2= 1191,1192, &end # # 74 PHE H 74 PHE QB &rst iat= 1153, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1157,1158, &end # # 74 PHE H 74 PHE QD &rst iat= 1153, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1161,1169, &end # # 74 PHE HA 74 PHE QD &rst iat= 1155, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1161,1169, &end # # 74 PHE QB 74 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, igr2= 1163,1167, &end # # 74 PHE H 75 SER H &rst iat= 1153,1173, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE QB 75 SER H &rst iat= -1,1173, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, &end # # 74 PHE QB 75 SER HA &rst iat= -1,1175, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, &end # # 74 PHE QB 75 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, igr2= 1177,1178, &end # # 74 PHE QD 75 SER HA &rst iat= -1,1175, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1161,1169, &end # # 74 PHE H 76 GLU H &rst iat= 1153,1184, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE HA 76 GLU H &rst iat= 1155,1184, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE H 77 LEU QD &rst iat= 1153, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 74 PHE HA 77 LEU H &rst iat= 1155,1199, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE HA 77 LEU HG &rst iat= 1155,1206, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE HA 77 LEU QD &rst iat= 1155, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 74 PHE QB 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, igr2= 1208,1209,1210,1212,1213,1214, &end # # 74 PHE QD 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1161,1169, igr2= 1208,1209,1210,1212,1213,1214, &end # # 74 PHE QE 82 GLN H &rst iat= -1,1290, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, &end # # 74 PHE QE 82 GLN HA &rst iat= -1,1292, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, &end # # 74 PHE QE 82 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, igr2= 1294,1295, &end # # 74 PHE HZ 82 GLN HA &rst iat= 1165,1292, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE HZ 82 GLN QB &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1294,1295, &end # # 74 PHE HZ 82 GLN QG &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1297,1298, &end # # 74 PHE QD 85 VAL HB &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1161,1169, &end # # 74 PHE QD 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1161,1169, igr2= 1352,1353,1354,1356,1357,1358, &end # # 74 PHE QE 85 VAL H &rst iat= -1,1346, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, &end # # 74 PHE QE 85 VAL HB &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, &end # # 74 PHE QD 86 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1161,1169, igr2= 1369,1370, &end # # 74 PHE QE 86 LYS H &rst iat= -1,1362, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, &end # # 74 PHE QE 86 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, igr2= 1366,1367, &end # # 74 PHE QE 86 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, igr2= 1369,1370, &end # # 74 PHE QE 86 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, igr2= 1372,1373, &end # # 74 PHE QE 86 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1163,1167, igr2= 1375,1376, &end # # 74 PHE HZ 86 LYS QG &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1369,1370, &end # # 74 PHE HZ 86 LYS QD &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1372,1373, &end # # 74 PHE HZ 86 LYS QE &rst iat= 1165, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1375,1376, &end # # 75 SER H 75 SER QB &rst iat= 1173, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1177,1178, &end # # 75 SER H 76 GLU H &rst iat= 1173,1184, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER H 76 GLU QG &rst iat= 1173, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1191,1192, &end # # 75 SER QB 76 GLU H &rst iat= -1,1184, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1177,1178, &end # # 75 SER QB 76 GLU HA &rst iat= -1,1186, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1177,1178, &end # # 75 SER QB 76 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1177,1178, igr2= 1191,1192, &end # # 75 SER H 77 LEU H &rst iat= 1173,1199, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER HA 77 LEU H &rst iat= 1175,1199, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 GLU H 76 GLU QB &rst iat= 1184, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1188,1189, &end # # 76 GLU H 76 GLU QG &rst iat= 1184, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1191,1192, &end # # 76 GLU HA 76 GLU QG &rst iat= 1186, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1191,1192, &end # # 76 GLU H 77 LEU H &rst iat= 1184,1199, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 GLU H 77 LEU QB &rst iat= 1184, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204, &end # # 76 GLU H 77 LEU QD &rst iat= 1184, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 76 GLU HA 77 LEU QD &rst iat= 1186, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 76 GLU QB 77 LEU H &rst iat= -1,1199, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1188,1189, &end # # 76 GLU QB 77 LEU HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1188,1189, &end # # 76 GLU QG 77 LEU H &rst iat= -1,1199, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1191,1192, &end # # 76 GLU QG 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1191,1192, igr2= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU H 77 LEU QB &rst iat= 1199, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204, &end # # 77 LEU H 77 LEU HG &rst iat= 1199,1206, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 LEU H 77 LEU QD &rst iat= 1199, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU HA 77 LEU QD &rst iat= 1201, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU QB 77 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204, igr2= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU HA 78 ARG H &rst iat= 1201,1218, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 LEU QB 78 ARG H &rst iat= -1,1218, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204, &end # # 77 LEU QD 78 ARG H &rst iat= -1,1218, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU QB 81 ASP H &rst iat= -1,1278, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204, &end # # 77 LEU QB 81 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204, igr2= 1282,1283, &end # # 77 LEU HG 81 ASP QB &rst iat= 1206, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283, &end # # 77 LEU QD 81 ASP H &rst iat= -1,1278, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU QD 81 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1208,1209,1210,1212,1213,1214, igr2= 1282,1283, &end # # 77 LEU QB 82 GLN H &rst iat= -1,1290, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204, &end # # 77 LEU QD 85 VAL HA &rst iat= -1,1348, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU QD 85 VAL HB &rst iat= -1,1350, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1208,1209,1210,1212,1213,1214, &end # # 77 LEU QD 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1208,1209,1210,1212,1213,1214, igr2= 1352,1353,1354,1356,1357,1358, &end # # 78 ARG H 78 ARG QG &rst iat= 1218, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1225,1226, &end # # 78 ARG H 78 ARG QD &rst iat= 1218, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1228,1229, &end # # 78 ARG HA 78 ARG QG &rst iat= 1220, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1225,1226, &end # # 78 ARG HA 78 ARG QD &rst iat= 1220, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1228,1229, &end # # 78 ARG QB 78 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, igr2= 1228,1229, &end # # 78 ARG HA 79 TRP HA &rst iat= 1220,1244, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 ARG QB 79 TRP H &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, &end # # 78 ARG QB 79 TRP HZ3 &rst iat= -1,1259, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, &end # # 78 ARG QD 79 TRP HA &rst iat= -1,1244, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1228,1229, &end # # 78 ARG QD 79 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1228,1229, igr2= 1246,1247, &end # # 78 ARG HA 80 ASP H &rst iat= 1220,1266, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 ARG QB 80 ASP H &rst iat= -1,1266, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, &end # # 78 ARG QB 80 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, igr2= 1270,1271, &end # # 78 ARG QG 80 ASP H &rst iat= -1,1266, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1225,1226, &end # # 78 ARG H 81 ASP H &rst iat= 1218,1278, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 ARG H 81 ASP QB &rst iat= 1218, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283, &end # # 78 ARG QB 81 ASP H &rst iat= -1,1278, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, &end # # 79 TRP HA 79 TRP HD1 &rst iat= 1244,1250, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP HA 79 TRP HE3 &rst iat= 1244,1261, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP QB 79 TRP HE1 &rst iat= -1,1252, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1246,1247, &end # # 79 TRP H 80 ASP H &rst iat= 1242,1266, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP QB 80 ASP H &rst iat= -1,1266, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1246,1247, &end # # 79 TRP HE3 80 ASP H &rst iat= 1261,1266, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP HE3 80 ASP HA &rst iat= 1261,1268, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP HE3 80 ASP QB &rst iat= 1261, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1270,1271, &end # # 79 TRP HZ2 80 ASP HA &rst iat= 1255,1268, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP HH2 80 ASP HA &rst iat= 1257,1268, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP HH2 80 ASP QB &rst iat= 1257, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1270,1271, &end # # 79 TRP HA 81 ASP H &rst iat= 1244,1278, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP H 82 GLN H &rst iat= 1242,1290, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP HA 82 GLN H &rst iat= 1244,1290, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 TRP HA 82 GLN QB &rst iat= 1244, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1294,1295, &end # # 79 TRP HA 82 GLN QG &rst iat= 1244, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1297,1298, &end # # 79 TRP HD1 82 GLN QB &rst iat= 1250, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1294,1295, &end # # 80 ASP H 80 ASP QB &rst iat= 1266, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1270,1271, &end # # 80 ASP HA 80 ASP QB &rst iat= 1268, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1270,1271, &end # # 80 ASP H 81 ASP H &rst iat= 1266,1278, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 ASP QB 81 ASP H &rst iat= -1,1278, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1270,1271, &end # # 80 ASP H 82 GLN H &rst iat= 1266,1290, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 ASP HA 82 GLN H &rst iat= 1268,1290, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 ASP HA 83 GLN H &rst iat= 1268,1307, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 ASP HA 83 GLN QB &rst iat= 1268, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1311,1312, &end # # 80 ASP HA 83 GLN QG &rst iat= 1268, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1314,1315, &end # # 80 ASP HA 84 LYS H &rst iat= 1268,1324, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ASP H 81 ASP QB &rst iat= 1278, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283, &end # # 81 ASP H 82 GLN H &rst iat= 1278,1290, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ASP H 82 GLN QB &rst iat= 1278, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1294,1295, &end # # 81 ASP QB 82 GLN H &rst iat= -1,1290, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1282,1283, &end # # 81 ASP H 83 GLN H &rst iat= 1278,1307, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ASP H 83 GLN QG &rst iat= 1278, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1314,1315, &end # # 81 ASP HA 84 LYS H &rst iat= 1280,1324, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ASP HA 84 LYS QB &rst iat= 1280, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1328,1329, &end # # 81 ASP HA 84 LYS QG &rst iat= 1280, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1331,1332, &end # # 81 ASP HA 84 LYS QD &rst iat= 1280, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1334,1335, &end # # 81 ASP HA 84 LYS QE &rst iat= 1280, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1337,1338, &end # # 81 ASP QB 84 LYS H &rst iat= -1,1324, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1282,1283, &end # # 81 ASP QB 84 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1282,1283, igr2= 1328,1329, &end # # 81 ASP H 85 VAL H &rst iat= 1278,1346, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ASP HA 85 VAL H &rst iat= 1280,1346, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ASP HA 85 VAL QG &rst iat= 1280, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 81 ASP QB 85 VAL H &rst iat= -1,1346, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1282,1283, &end # # 81 ASP QB 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1282,1283, igr2= 1352,1353,1354,1356,1357,1358, &end # # 82 GLN H 82 GLN QB &rst iat= 1290, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1294,1295, &end # # 82 GLN H 82 GLN QG &rst iat= 1290, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1297,1298, &end # # 82 GLN HA 82 GLN QG &rst iat= 1292, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1297,1298, &end # # 82 GLN H 83 GLN H &rst iat= 1290,1307, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 GLN H 83 GLN QG &rst iat= 1290, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1314,1315, &end # # 82 GLN HA 83 GLN HA &rst iat= 1292,1309, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 GLN QB 83 GLN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1294,1295, &end # # 82 GLN QG 83 GLN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1297,1298, &end # # 82 GLN H 84 LYS H &rst iat= 1290,1324, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 GLN HA 84 LYS H &rst iat= 1292,1324, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 GLN HA 85 VAL H &rst iat= 1292,1346, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 GLN HA 85 VAL HB &rst iat= 1292,1350, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 GLN HA 85 VAL QG &rst iat= 1292, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 82 GLN HA 86 LYS H &rst iat= 1292,1362, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 GLN HA 86 LYS QG &rst iat= 1292, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1369,1370, &end # # 82 GLN HA 86 LYS QD &rst iat= 1292, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1372,1373, &end # # 82 GLN QG 86 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1297,1298, igr2= 1369,1370, &end # # 83 GLN H 83 GLN QB &rst iat= 1307, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1311,1312, &end # # 83 GLN H 83 GLN QG &rst iat= 1307, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1314,1315, &end # # 83 GLN HA 83 GLN QG &rst iat= 1309, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1314,1315, &end # # 83 GLN HA 84 LYS HA &rst iat= 1309,1326, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 GLN QB 84 LYS H &rst iat= -1,1324, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1311,1312, &end # # 83 GLN H 85 VAL H &rst iat= 1307,1346, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 GLN H 86 LYS H &rst iat= 1307,1362, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 GLN HA 86 LYS H &rst iat= 1309,1362, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 GLN HA 87 LYS H &rst iat= 1309,1384, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LYS H 84 LYS QB &rst iat= 1324, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1328,1329, &end # # 84 LYS H 84 LYS QG &rst iat= 1324, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1331,1332, &end # # 84 LYS H 84 LYS QD &rst iat= 1324, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1334,1335, &end # # 84 LYS H 84 LYS QE &rst iat= 1324, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1337,1338, &end # # 84 LYS HA 84 LYS QG &rst iat= 1326, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1331,1332, &end # # 84 LYS HA 84 LYS QD &rst iat= 1326, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1334,1335, &end # # 84 LYS QB 84 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1328,1329, igr2= 1334,1335, &end # # 84 LYS QB 84 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1328,1329, igr2= 1337,1338, &end # # 84 LYS QG 84 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, igr2= 1337,1338, &end # # 84 LYS H 85 VAL H &rst iat= 1324,1346, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LYS H 85 VAL HA &rst iat= 1324,1348, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LYS H 85 VAL QG &rst iat= 1324, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 84 LYS QB 85 VAL H &rst iat= -1,1346, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1328,1329, &end # # 84 LYS QB 85 VAL HA &rst iat= -1,1348, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1328,1329, &end # # 84 LYS QB 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1328,1329, igr2= 1352,1353,1354,1356,1357,1358, &end # # 84 LYS QG 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, igr2= 1352,1353,1354,1356,1357,1358, &end # # 84 LYS QD 85 VAL H &rst iat= -1,1346, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335, &end # # 84 LYS QD 85 VAL HA &rst iat= -1,1348, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335, &end # # 84 LYS QD 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335, igr2= 1352,1353,1354,1356,1357,1358, &end # # 84 LYS QE 85 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, igr2= 1352,1353,1354,1356,1357,1358, &end # # 84 LYS H 86 LYS H &rst iat= 1324,1362, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LYS H 87 LYS H &rst iat= 1324,1384, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LYS H 87 LYS QB &rst iat= 1324, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1388,1389, &end # # 84 LYS HA 87 LYS H &rst iat= 1326,1384, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LYS HA 87 LYS QD &rst iat= 1326, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1394,1395, &end # # 84 LYS H 88 THR H &rst iat= 1324,1406, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LYS QD 88 THR HB &rst iat= -1,1410, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335, &end # # 85 VAL H 85 VAL HB &rst iat= 1346,1350, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL H 85 VAL QG &rst iat= 1346, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL HA 85 VAL QG &rst iat= 1348, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL H 86 LYS H &rst iat= 1346,1362, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL HB 86 LYS H &rst iat= 1350,1362, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL QG 86 LYS H &rst iat= -1,1362, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL QG 86 LYS HA &rst iat= -1,1364, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL QG 86 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, igr2= 1369,1370, &end # # 85 VAL H 87 LYS H &rst iat= 1346,1384, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL QG 87 LYS H &rst iat= -1,1384, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL H 88 THR H &rst iat= 1346,1406, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL H 88 THR HB &rst iat= 1346,1410, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL HA 88 THR H &rst iat= 1348,1406, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL HA 88 THR HA &rst iat= 1348,1408, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL HA 88 THR HB &rst iat= 1348,1410, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 VAL HA 88 THR QG2 &rst iat= 1348, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 85 VAL QG 88 THR H &rst iat= -1,1406, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL QG 88 THR HB &rst iat= -1,1410, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL QG 88 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.586, r4= 9.396, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, igr2= 1412,1413,1414, &end # # 85 VAL QG 89 ALA H &rst iat= -1,1420, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, &end # # 85 VAL QG 89 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.614, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1352,1353,1354,1356,1357,1358, igr2= 1424,1425,1426, &end # # 86 LYS H 86 LYS QB &rst iat= 1362, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1366,1367, &end # # 86 LYS H 86 LYS QG &rst iat= 1362, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1369,1370, &end # # 86 LYS H 86 LYS QD &rst iat= 1362, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1372,1373, &end # # 86 LYS H 86 LYS QE &rst iat= 1362, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1375,1376, &end # # 86 LYS HA 86 LYS QG &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1369,1370, &end # # 86 LYS HA 86 LYS QD &rst iat= 1364, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1372,1373, &end # # 86 LYS HA 86 LYS QE &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1375,1376, &end # # 86 LYS QB 86 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1366,1367, igr2= 1369,1370, &end # # 86 LYS QB 86 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1366,1367, igr2= 1372,1373, &end # # 86 LYS QB 86 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1366,1367, igr2= 1375,1376, &end # # 86 LYS QG 86 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1369,1370, igr2= 1375,1376, &end # # 86 LYS H 87 LYS H &rst iat= 1362,1384, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 LYS QB 87 LYS H &rst iat= -1,1384, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1366,1367, &end # # 86 LYS QG 87 LYS H &rst iat= -1,1384, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1369,1370, &end # # 86 LYS H 88 THR H &rst iat= 1362,1406, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 LYS HA 88 THR H &rst iat= 1364,1406, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 LYS HA 89 ALA H &rst iat= 1364,1420, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 LYS HA 89 ALA QB &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 86 LYS HA 90 GLU H &rst iat= 1364,1430, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 LYS QB 90 GLU H &rst iat= -1,1430, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1366,1367, &end # # 87 LYS H 87 LYS QB &rst iat= 1384, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1388,1389, &end # # 87 LYS H 87 LYS QD &rst iat= 1384, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1394,1395, &end # # 87 LYS HA 87 LYS QG &rst iat= 1386, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1391,1392, &end # # 87 LYS HA 87 LYS QD &rst iat= 1386, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1394,1395, &end # # 87 LYS HA 87 LYS QE &rst iat= 1386, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1397,1398, &end # # 87 LYS QB 87 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1388,1389, igr2= 1394,1395, &end # # 87 LYS QG 87 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1391,1392, igr2= 1394,1395, &end # # 87 LYS QG 87 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1391,1392, igr2= 1397,1398, &end # # 87 LYS QD 87 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1394,1395, igr2= 1397,1398, &end # # 87 LYS H 88 THR H &rst iat= 1384,1406, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 LYS HA 88 THR HA &rst iat= 1386,1408, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 LYS QB 88 THR H &rst iat= -1,1406, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1388,1389, &end # # 87 LYS QB 88 THR HA &rst iat= -1,1408, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1388,1389, &end # # 87 LYS QG 88 THR H &rst iat= -1,1406, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1391,1392, &end # # 87 LYS QD 88 THR H &rst iat= -1,1406, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1394,1395, &end # # 87 LYS H 89 ALA H &rst iat= 1384,1420, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 LYS H 89 ALA QB &rst iat= 1384, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 87 LYS H 90 GLU H &rst iat= 1384,1430, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 LYS HA 90 GLU H &rst iat= 1386,1430, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 LYS HA 90 GLU QG &rst iat= 1386, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1437,1438, &end # # 87 LYS HA 91 ALA QB &rst iat= 1386, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1449,1450,1451, &end # # 88 THR H 88 THR HB &rst iat= 1406,1410, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 THR H 88 THR QG2 &rst iat= 1406, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 88 THR HA 88 THR QG2 &rst iat= 1408, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1412,1413,1414, &end # # 88 THR H 89 ALA QB &rst iat= 1406, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 88 THR HB 89 ALA QB &rst iat= 1410, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 88 THR QG2 89 ALA H &rst iat= -1,1420, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, &end # # 88 THR QG2 89 ALA HA &rst iat= -1,1422, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, &end # # 88 THR QG2 89 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, igr2= 1424,1425,1426, &end # # 88 THR H 90 GLU H &rst iat= 1406,1430, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 THR HA 90 GLU H &rst iat= 1408,1430, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 THR H 91 ALA QB &rst iat= 1406, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1449,1450,1451, &end # # 88 THR HA 91 ALA H &rst iat= 1408,1445, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 THR HA 91 ALA QB &rst iat= 1408, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1449,1450,1451, &end # # 88 THR HB 91 ALA QB &rst iat= 1410, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1449,1450,1451, &end # # 88 THR QG2 91 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.616, r4= 6.336, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, igr2= 1449,1450,1451, &end # # 88 THR QG2 93 GLY H &rst iat= -1,1462, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, &end # # 88 THR QG2 93 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, igr2= 1464,1465, &end # # 88 THR QG2 94 VAL H &rst iat= -1,1469, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, &end # # 88 THR QG2 94 VAL HA &rst iat= -1,1471, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, &end # # 88 THR QG2 94 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, igr2= 1475,1476,1477,1479,1480,1481, &end # # 88 THR QG2 95 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1412,1413,1414, igr2= 1491,1492,1493, &end # # 89 ALA H 89 ALA QB &rst iat= 1420, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1424,1425,1426, &end # # 89 ALA H 90 GLU H &rst iat= 1420,1430, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ALA H 90 GLU HA &rst iat= 1420,1432, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ALA H 90 GLU QB &rst iat= 1420, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1434,1435, &end # # 89 ALA H 90 GLU QG &rst iat= 1420, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1437,1438, &end # # 89 ALA QB 90 GLU H &rst iat= -1,1430, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1424,1425,1426, &end # # 89 ALA QB 90 GLU HA &rst iat= -1,1432, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1424,1425,1426, &end # # 89 ALA QB 90 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1424,1425,1426, igr2= 1434,1435, &end # # 89 ALA QB 90 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1424,1425,1426, igr2= 1437,1438, &end # # 89 ALA HA 91 ALA H &rst iat= 1422,1445, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ALA HA 91 ALA QB &rst iat= 1422, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1449,1450,1451, &end # # 89 ALA QB 91 ALA H &rst iat= -1,1445, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1424,1425,1426, &end # # 89 ALA HA 92 GLY H &rst iat= 1422,1455, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 GLU H 90 GLU QB &rst iat= 1430, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1434,1435, &end # # 90 GLU H 90 GLU QG &rst iat= 1430, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1437,1438, &end # # 90 GLU HA 90 GLU QB &rst iat= 1432, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1434,1435, &end # # 90 GLU HA 90 GLU QG &rst iat= 1432, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1437,1438, &end # # 90 GLU H 91 ALA H &rst iat= 1430,1445, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 GLU H 91 ALA HA &rst iat= 1430,1447, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 GLU H 91 ALA QB &rst iat= 1430, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1449,1450,1451, &end # # 90 GLU HA 91 ALA H &rst iat= 1432,1445, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 GLU HA 91 ALA HA &rst iat= 1432,1447, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 GLU QB 91 ALA H &rst iat= -1,1445, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1434,1435, &end # # 90 GLU QB 91 ALA HA &rst iat= -1,1447, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1434,1435, &end # # 90 GLU QB 91 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1434,1435, igr2= 1449,1450,1451, &end # # 90 GLU QG 91 ALA H &rst iat= -1,1445, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1437,1438, &end # # 90 GLU QG 91 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1437,1438, igr2= 1449,1450,1451, &end # # 90 GLU H 92 GLY H &rst iat= 1430,1455, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 ALA H 91 ALA QB &rst iat= 1445, -1, r1= 0, r2= 0, r3= 3.12, r4= 3.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1449,1450,1451, &end # # 91 ALA H 92 GLY H &rst iat= 1445,1455, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 ALA QB 92 GLY H &rst iat= -1,1455, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1449,1450,1451, &end # # 91 ALA HA 93 GLY H &rst iat= 1447,1462, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 ALA QB 93 GLY H &rst iat= -1,1462, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1449,1450,1451, &end # # 91 ALA QB 93 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1449,1450,1451, igr2= 1464,1465, &end # # 91 ALA QB 94 VAL H &rst iat= -1,1469, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1449,1450,1451, &end # # 91 ALA QB 94 VAL HA &rst iat= -1,1471, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1449,1450,1451, &end # # 91 ALA QB 94 VAL HB &rst iat= -1,1473, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1449,1450,1451, &end # # 91 ALA QB 94 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.91, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1449,1450,1451, igr2= 1475,1476,1477,1479,1480,1481, &end # # 93 GLY H 94 VAL H &rst iat= 1462,1469, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 GLY QA 94 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1464,1465, igr2= 1475,1476,1477,1479,1480,1481, &end # # 94 VAL H 94 VAL HB &rst iat= 1469,1473, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 VAL H 94 VAL QG &rst iat= 1469, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1475,1476,1477,1479,1480,1481, &end # # 94 VAL HA 94 VAL QG &rst iat= 1471, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1475,1476,1477,1479,1480,1481, &end # # 94 VAL H 95 THR H &rst iat= 1469,1485, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 VAL HA 95 THR QG2 &rst iat= 1471, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1492,1493, &end # # 94 VAL HB 95 THR H &rst iat= 1473,1485, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 VAL QG 95 THR H &rst iat= -1,1485, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1475,1476,1477,1479,1480,1481, &end # # 94 VAL QG 95 THR HA &rst iat= -1,1487, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1475,1476,1477,1479,1480,1481, &end # # 94 VAL QG 95 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1475,1476,1477,1479,1480,1481, igr2= 1491,1492,1493, &end # # 94 VAL QG 96 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1475,1476,1477,1479,1480,1481, igr2= 1501,1502, &end # # 95 THR H 95 THR QG2 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1492,1493, &end # # 95 THR HA 95 THR HB &rst iat= 1487,1489, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR HA 95 THR QG2 &rst iat= 1487, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1492,1493, &end # # 95 THR HA 96 GLY QA &rst iat= 1487, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1501,1502, &end # # 95 THR HB 96 GLY QA &rst iat= 1489, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1501,1502, &end # # 96 GLY QA 97 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1501,1502, igr2= 1519,1520, &end # # 97 LYS HA 97 LYS QE &rst iat= 1508, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1519,1520, &end # # 97 LYS QB 97 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1510,1511, igr2= 1516,1517, &end # # 97 LYS QG 97 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.01056, r4= 3.63776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1513,1514, igr2= 1516,1517, &end # # 97 LYS QB 98 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1510,1511, igr2= 1530,1531, &end # # 98 GLY QA 99 GLN HA &rst iat= -1,1537, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531, &end # # 98 GLY QA 99 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531, igr2= 1539,1540, &end # # 99 GLN QB 99 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1539,1540, igr2= 1542,1543, &end # # 99 GLN HA 100 ASP QB &rst iat= 1537, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1556,1557, &end # # 99 GLN QG 100 ASP H &rst iat= -1,1552, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1542,1543, &end # # 100 ASP HA 100 ASP QB &rst iat= 1554, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1556,1557, &end # # 100 ASP H 101 GLY H &rst iat= 1552,1564, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 ASP QB 101 GLY H &rst iat= -1,1564, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1556,1557, &end # # 101 GLY H 102 ILE H &rst iat= 1564,1571, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 GLY H 102 ILE HB &rst iat= 1564,1575, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 GLY QA 102 ILE HA &rst iat= -1,1573, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1566,1567, &end # # 101 GLY QA 102 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1566,1567, igr2= 1577,1578,1579, &end # # 102 ILE H 102 ILE HB &rst iat= 1571,1575, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 ILE HA 102 ILE QG1 &rst iat= 1573, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1581,1582, &end # # 102 ILE HA 102 ILE QG2 &rst iat= 1573, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1577,1578,1579, &end # # 102 ILE HA 102 ILE QD1 &rst iat= 1573, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1584,1585,1586, &end # # 102 ILE HA 103 GLY QA &rst iat= 1573, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1592,1593, &end # # 102 ILE QG2 103 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1577,1578,1579, igr2= 1592,1593, &end # # 104 SER HA 104 SER QB &rst iat= 1599, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1601,1602, &end # # 105 LYS H 105 LYS QG &rst iat= 1608, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1615,1616, &end # # 105 LYS HA 105 LYS QG &rst iat= 1610, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1615,1616, &end # # 105 LYS QB 105 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1612,1613, igr2= 1615,1616, &end # # 105 LYS QB 106 ALA H &rst iat= -1,1630, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1612,1613, &end # # 105 LYS QG 106 ALA HA &rst iat= -1,1632, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1615,1616, &end # # 106 ALA H 107 GLU H &rst iat= 1630,1640, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 ALA HA 107 GLU HA &rst iat= 1632,1642, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end #
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