NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
562007 | 2m30 | 7376 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Correct constraints for 2kjc 27 jun 11 # 2 THR H 3 ASP H &rst iat= 18, 32, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 2 THR H 4 THR H &rst iat= 18, 44, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 3 ASP H 4 THR H &rst iat= 32, 44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 4 THR H 5 LEU H &rst iat= 44, 58, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 4 THR H 6 GLU H &rst iat= 44, 77, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU H 6 GLU H &rst iat= 58, 77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU H 7 ARG H &rst iat= 58, 92, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 6 GLU H 7 ARG H &rst iat= 77, 92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 6 GLU H 8 VAL H &rst iat= 77, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 7 ARG H 8 VAL H &rst iat= 92, 116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 7 ARG H 10 GLU H &rst iat= 92, 146, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL H 9 THR H &rst iat= 116, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL H 10 GLU H &rst iat= 116, 146, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL H 11 ILE H &rst iat= 116, 161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 9 THR H 11 ILE H &rst iat= 132, 161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 9 THR H 10 GLU H &rst iat= 132, 146, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 10 GLU H 11 ILE H &rst iat= 146, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE H 12 PHE H &rst iat= 161, 180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE H 13 LYS H &rst iat= 161, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 12 PHE H 13 LYS H &rst iat= 180, 200, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 12 PHE H 14 ALA H &rst iat= 180, 222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 13 LYS H 15 LEU H &rst iat= 200, 232, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 13 LYS H 16 GLY H &rst iat= 200, 251, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 13 LYS H 14 ALA H &rst iat= 200, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 14 ALA H 15 LEU H &rst iat= 222, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 14 ALA H 16 GLY H &rst iat= 222, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU H 16 GLY H &rst iat= 232, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU H 17 ASP H &rst iat= 232, 258, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 16 GLY H 17 ASP H &rst iat= 251, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 17 ASP H 18 TYR H &rst iat= 258, 270, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 17 ASP H 20 ARG H &rst iat= 258, 305, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 18 TYR H 19 ASN H &rst iat= 270, 291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 18 TYR H 20 ARG H &rst iat= 270, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 18 TYR H 21 ILE H &rst iat= 270, 329, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 19 ASN H 21 ILE H &rst iat= 291, 329, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 19 ASN H 20 ARG H &rst iat= 291, 305, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 20 ARG H 22 ARG H &rst iat= 305, 348, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 20 ARG H 21 ILE H &rst iat= 305, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 20 ARG H 23 ILE H &rst iat= 305, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE H 22 ARG H &rst iat= 329, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE H 23 ILE H &rst iat= 329, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE H 24 MET H &rst iat= 329, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 22 ARG H 23 ILE H &rst iat= 348, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 22 ARG H 24 MET H &rst iat= 348, 391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 22 ARG H 25 GLU H &rst iat= 348, 408, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE H 24 MET H &rst iat= 372, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE H 25 GLU H &rst iat= 372, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 24 MET H 25 GLU H &rst iat= 391, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 24 MET H 26 LEU H &rst iat= 391, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 24 MET H 27 LEU H &rst iat= 391, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 24 MET H 28 SER H &rst iat= 391, 461, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 25 GLU H 26 LEU H &rst iat= 408, 423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 25 GLU H 27 LEU H &rst iat= 408, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 25 GLU H 28 SER H &rst iat= 408, 461, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU H 27 LEU H &rst iat= 423, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU H 28 SER H &rst iat= 423, 461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU H 28 SER H &rst iat= 442, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU H 30 SER H &rst iat= 442, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU H 29 VAL H &rst iat= 442, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 28 SER H 29 VAL H &rst iat= 461, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 28 SER H 30 SER H &rst iat= 461, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 29 VAL H 30 SER H &rst iat= 472, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 30 SER H 31 GLU H &rst iat= 488, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 31 GLU H 32 ALA H &rst iat= 499, 514, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 32 ALA H 33 SER H &rst iat= 514, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 32 ALA H 73 SER H &rst iat= 514, 1172, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 32 ALA H 72 TYR H &rst iat= 514, 1151, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 33 SER H 34 VAL H &rst iat= 524, 535, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 33 SER H 36 HIE H &rst iat= 524, 558, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 33 SER H 72 TYR H &rst iat= 524, 1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL H 35 GLY H &rst iat= 535, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL H 37 ILE H &rst iat= 535, 575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL H 36 HIE H &rst iat= 535, 558, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL H 70 MET H &rst iat= 535, 1115, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 35 GLY H 36 HIE H &rst iat= 551, 558, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 36 HIE H 37 ILE H &rst iat= 558, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 37 ILE H 38 SER H &rst iat= 575, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 38 SER H 39 HIE H &rst iat= 594, 605, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 39 HIE H 41 LEU H &rst iat= 605, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 39 HIE H 42 ASN H &rst iat= 605, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 40 GLN H 41 LEU H &rst iat= 622, 639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 40 GLN H 42 ASN H &rst iat= 622, 658, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 41 LEU H 43 LEU H &rst iat= 639, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 43 LEU H 44 SER H &rst iat= 672, 691, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 44 SER H 48 VAL H &rst iat= 691, 744, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 47 ASN H 48 VAL H &rst iat= 730, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 47 ASN H 49 SER H &rst iat= 730, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 48 VAL H 49 SER H &rst iat= 744, 760, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 48 VAL H 50 HIE H &rst iat= 744, 771, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 49 SER H 50 HIE H &rst iat= 760, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 49 SER H 52 LEU H &rst iat= 760, 805, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 49 SER H 51 GLN H &rst iat= 760, 788, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 50 HIE H 51 GLN H &rst iat= 771, 788, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 50 HIE H 52 LEU H &rst iat= 771, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 51 GLN H 52 LEU H &rst iat= 788, 805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 51 GLN H 53 LYS H &rst iat= 788, 824, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU H 53 LYS H &rst iat= 805, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU H 54 LEU H &rst iat= 805, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU H 56 LYS H &rst iat= 805, 884, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU H 55 LEU H &rst iat= 805, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 53 LYS H 54 LEU H &rst iat= 824, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 53 LYS H 56 LYS H &rst iat= 824, 884, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 53 LYS H 55 LEU H &rst iat= 824, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU H 55 LEU H &rst iat= 846, 865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU H 56 LYS H &rst iat= 846, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU H 57 SER H &rst iat= 846, 906, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU H 56 LYS H &rst iat= 865, 884, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU H 57 SER H &rst iat= 865, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 56 LYS H 57 SER H &rst iat= 884, 906, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 56 LYS H 58 VAL H &rst iat= 884, 917, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 56 LYS H 61 VAL H &rst iat= 884, 969, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 56 LYS H 59 HIE H &rst iat= 884, 933, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 57 SER H 58 VAL H &rst iat= 906, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 57 SER H 60 LEU H &rst iat= 906, 950, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL H 59 HIE H &rst iat= 917, 933, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL H 60 LEU H &rst iat= 917, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 59 HIE H 60 LEU H &rst iat= 933, 950, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 60 LEU H 61 VAL H &rst iat= 950, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 61 VAL H 62 LYS H &rst iat= 969, 985, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 62 LYS H 63 ALA H &rst iat= 985, 1007, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 62 LYS H 75 ASP H &rst iat= 985, 1202, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 62 LYS H 73 SER H &rst iat= 985, 1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 64 LYS H 65 ARG H &rst iat= 1017, 1039, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 64 LYS H 71 ILE H &rst iat= 1017, 1132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 65 ARG H 71 ILE H &rst iat= 1039, 1132, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 66 GLN H 69 SER H &rst iat= 1063, 1104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 66 GLN H 71 ILE H &rst iat= 1063, 1132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 66 GLN H 70 MET H &rst iat= 1063, 1115, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 68 GLN H 69 SER H &rst iat= 1087, 1104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 69 SER H 70 MET H &rst iat= 1104, 1115, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 70 MET H 71 ILE H &rst iat= 1115, 1132, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 73 SER H 74 LEU H &rst iat= 1172, 1183, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU H 76 d84 H &rst iat= 1183, 1214, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 75 ASP H 76 d84 H &rst iat= 1202, 1214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 77 ILE H &rst iat= 1214, 1226, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 79 VAL H &rst iat= 1214, 1262, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 78 h86 H &rst iat= 1214, 1245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 80 ALA H &rst iat= 1214, 1278, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 77 ILE H 78 h86 H &rst iat= 1226, 1245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 77 ILE H 79 VAL H &rst iat= 1226, 1262, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 78 h86 H 79 VAL H &rst iat= 1245, 1262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 78 h86 H 80 ALA H &rst iat= 1245, 1278, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 78 h86 H 81 THR H &rst iat= 1245, 1288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL H 81 THR H &rst iat= 1262, 1288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL H 82 MET H &rst iat= 1262, 1302, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 80 ALA H 82 MET H &rst iat= 1278, 1302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 80 ALA H 81 THR H &rst iat= 1278, 1288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 80 ALA H 83 LEU H &rst iat= 1278, 1319, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 81 THR H 82 MET H &rst iat= 1288, 1302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 81 THR H 83 LEU H &rst iat= 1288, 1319, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 82 MET H 83 LEU H &rst iat= 1302, 1319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 83 LEU H 84 LYS H &rst iat= 1319, 1338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 84 LYS H 85 GLN H &rst iat= 1338, 1360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 84 LYS H 86 ALA H &rst iat= 1338, 1377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 85 GLN H 86 ALA H &rst iat= 1360, 1377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 85 GLN H 87 ILE H &rst iat= 1360, 1387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 86 ALA H 88 HID H &rst iat= 1377, 1406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 87 ILE H 88 HID H &rst iat= 1387, 1406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 88 HID H 91 ASN H &rst iat= 1406, 1450, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 88 HID H 89 h97 H &rst iat= 1406, 1423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 89 h97 H 90 ALA H &rst iat= 1423, 1440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 89 h97 H 91 ASN H &rst iat= 1423, 1450, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 90 ALA H 91 ASN H &rst iat= 1440, 1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 90 ALA H 92 h10 H &rst iat= 1440, 1464, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 91 ASN H 92 h10 H &rst iat= 1450, 1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 81 THR H 84 LYS H &rst iat= 1288, 1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE H 25 GLU H &rst iat= 329, 408, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL H 11 ILE H &rst iat= 116, 161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 97 THR H 98 ASP H &rst iat= 1549, 1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 97 THR H 99 THR H &rst iat= 1549, 1575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 98 ASP H 99 THR H &rst iat= 1563, 1575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 99 THR H 100 LEU H &rst iat= 1575, 1589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 99 THR H 101 GLU H &rst iat= 1575, 1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU H 101 GLU H &rst iat= 1589, 1608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU H 102 ARG H &rst iat= 1589, 1623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 101 GLU H 102 ARG H &rst iat= 1608, 1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 101 GLU H 103 VAL H &rst iat= 1608, 1647, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 102 ARG H 103 VAL H &rst iat= 1623, 1647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 102 ARG H 105 GLU H &rst iat= 1623, 1677, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL H 104 THR H &rst iat= 1647, 1663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL H 105 GLU H &rst iat= 1647, 1677, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL H 106 ILE H &rst iat= 1647, 1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 104 THR H 106 ILE H &rst iat= 1663, 1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 104 THR H 105 GLU H &rst iat= 1663, 1677, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 105 GLU H 106 ILE H &rst iat= 1677, 1692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE H 107 PHE H &rst iat= 1692, 1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE H 108 LYS H &rst iat= 1692, 1731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 107 PHE H 108 LYS H &rst iat= 1711, 1731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 107 PHE H 109 ALA H &rst iat= 1711, 1753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 108 LYS H 110 LEU H &rst iat= 1731, 1763, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 108 LYS H 111 GLY H &rst iat= 1731, 1782, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 108 LYS H 109 ALA H &rst iat= 1731, 1753, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 109 ALA H 110 LEU H &rst iat= 1753, 1763, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 109 ALA H 111 GLY H &rst iat= 1753, 1782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU H 111 GLY H &rst iat= 1763, 1782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU H 112 ASP H &rst iat= 1763, 1789, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 111 GLY H 112 ASP H &rst iat= 1782, 1789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 112 ASP H 113 TYR H &rst iat= 1789, 1801, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 112 ASP H 115 ARG H &rst iat= 1789, 1836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 113 TYR H 114 ASN H &rst iat= 1801, 1822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 113 TYR H 115 ARG H &rst iat= 1801, 1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 113 TYR H 116 ILE H &rst iat= 1801, 1860, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 114 ASN H 116 ILE H &rst iat= 1822, 1860, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 114 ASN H 115 ARG H &rst iat= 1822, 1836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 115 ARG H 117 ARG H &rst iat= 1836, 1879, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 115 ARG H 116 ILE H &rst iat= 1836, 1860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 115 ARG H 118 ILE H &rst iat= 1836, 1903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE H 117 ARG H &rst iat= 1860, 1879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE H 118 ILE H &rst iat= 1860, 1903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE H 119 MET H &rst iat= 1860, 1922, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 117 ARG H 118 ILE H &rst iat= 1879, 1903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 117 ARG H 119 MET H &rst iat= 1879, 1922, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 117 ARG H 120 GLU H &rst iat= 1879, 1939, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE H 119 MET H &rst iat= 1903, 1922, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE H 120 GLU H &rst iat= 1903, 1939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 119 MET H 120 GLU H &rst iat= 1922, 1939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 119 MET H 121 LEU H &rst iat= 1922, 1954, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 119 MET H 122 LEU H &rst iat= 1922, 1973, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 119 MET H 123 SER H &rst iat= 1922, 1992, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 120 GLU H 121 LEU H &rst iat= 1939, 1954, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 120 GLU H 122 LEU H &rst iat= 1939, 1973, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 120 GLU H 123 SER H &rst iat= 1939, 1992, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU H 122 LEU H &rst iat= 1954, 1973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU H 123 SER H &rst iat= 1954, 1992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU H 123 SER H &rst iat= 1973, 1992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU H 125 SER H &rst iat= 1973, 2019, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU H 124 VAL H &rst iat= 1973, 2003, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 123 SER H 124 VAL H &rst iat= 1992, 2003, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 123 SER H 125 SER H &rst iat= 1992, 2019, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 124 VAL H 125 SER H &rst iat= 2003, 2019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 125 SER H 126 GLU H &rst iat= 2019, 2030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 126 GLU H 127 ALA H &rst iat= 2030, 2045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 127 ALA H 128 SER H &rst iat= 2045, 2055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 127 ALA H 168 SER H &rst iat= 2045, 2703, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 127 ALA H 167 TYR H &rst iat= 2045, 2682, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 128 SER H 129 VAL H &rst iat= 2055, 2066, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 128 SER H 131 HIE H &rst iat= 2055, 2089, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 128 SER H 167 TYR H &rst iat= 2055, 2682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL H 130 GLY H &rst iat= 2066, 2082, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL H 132 ILE H &rst iat= 2066, 2106, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL H 131 HIE H &rst iat= 2066, 2089, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL H 165 MET H &rst iat= 2066, 2646, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 130 GLY H 131 HIE H &rst iat= 2082, 2089, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 131 HIE H 132 ILE H &rst iat= 2089, 2106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 132 ILE H 133 SER H &rst iat= 2106, 2125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 133 SER H 134 HIE H &rst iat= 2125, 2136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 134 HIE H 136 LEU H &rst iat= 2136, 2170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 134 HIE H 137 ASN H &rst iat= 2136, 2189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 135 GLN H 136 LEU H &rst iat= 2153, 2170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 135 GLN H 137 ASN H &rst iat= 2153, 2189, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 136 LEU H 138 LEU H &rst iat= 2170, 2203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 138 LEU H 139 SER H &rst iat= 2203, 2222, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 139 SER H 143 VAL H &rst iat= 2222, 2275, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 142 ASN H 143 VAL H &rst iat= 2261, 2275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 142 ASN H 144 SER H &rst iat= 2261, 2291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 143 VAL H 144 SER H &rst iat= 2275, 2291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 143 VAL H 145 HIE H &rst iat= 2275, 2302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 144 SER H 145 HIE H &rst iat= 2291, 2302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 144 SER H 147 LEU H &rst iat= 2291, 2336, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 144 SER H 146 GLN H &rst iat= 2291, 2319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 145 HIE H 146 GLN H &rst iat= 2302, 2319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 145 HIE H 147 LEU H &rst iat= 2302, 2336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 146 GLN H 147 LEU H &rst iat= 2319, 2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 146 GLN H 148 LYS H &rst iat= 2319, 2355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU H 148 LYS H &rst iat= 2336, 2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU H 149 LEU H &rst iat= 2336, 2377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU H 151 LYS H &rst iat= 2336, 2415, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU H 150 LEU H &rst iat= 2336, 2396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 148 LYS H 149 LEU H &rst iat= 2355, 2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 148 LYS H 151 LYS H &rst iat= 2355, 2415, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 148 LYS H 150 LEU H &rst iat= 2355, 2396, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU H 150 LEU H &rst iat= 2377, 2396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU H 151 LYS H &rst iat= 2377, 2415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU H 152 SER H &rst iat= 2377, 2437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU H 151 LYS H &rst iat= 2396, 2415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU H 152 SER H &rst iat= 2396, 2437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 151 LYS H 152 SER H &rst iat= 2415, 2437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 151 LYS H 153 VAL H &rst iat= 2415, 2448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 151 LYS H 156 VAL H &rst iat= 2415, 2500, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 151 LYS H 154 HIE H &rst iat= 2415, 2464, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 152 SER H 153 VAL H &rst iat= 2437, 2448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 152 SER H 155 LEU H &rst iat= 2437, 2481, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL H 154 HIE H &rst iat= 2448, 2464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL H 155 LEU H &rst iat= 2448, 2481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 154 HIE H 155 LEU H &rst iat= 2464, 2481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 155 LEU H 156 VAL H &rst iat= 2481, 2500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 156 VAL H 157 LYS H &rst iat= 2500, 2516, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 157 LYS H 158 ALA H &rst iat= 2516, 2538, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 157 LYS H 170 ASP H &rst iat= 2516, 2733, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 157 LYS H 168 SER H &rst iat= 2516, 2703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 159 LYS H 160 ARG H &rst iat= 2548, 2570, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 159 LYS H 166 ILE H &rst iat= 2548, 2663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 160 ARG H 166 ILE H &rst iat= 2570, 2663, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 161 GLN H 164 SER H &rst iat= 2594, 2635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 161 GLN H 166 ILE H &rst iat= 2594, 2663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 161 GLN H 165 MET H &rst iat= 2594, 2646, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 163 GLN H 164 SER H &rst iat= 2618, 2635, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 164 SER H 165 MET H &rst iat= 2635, 2646, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 165 MET H 166 ILE H &rst iat= 2646, 2663, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 168 SER H 169 LEU H &rst iat= 2703, 2714, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU H 171 D84 H &rst iat= 2714, 2745, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 170 ASP H 171 D84 H &rst iat= 2733, 2745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 172 ILE H &rst iat= 2745, 2757, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 174 VAL H &rst iat= 2745, 2793, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 173 H86 H &rst iat= 2745, 2776, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 175 ALA H &rst iat= 2745, 2809, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 172 ILE H 173 H86 H &rst iat= 2757, 2776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 172 ILE H 174 VAL H &rst iat= 2757, 2793, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 173 H86 H 174 VAL H &rst iat= 2776, 2793, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 173 H86 H 175 ALA H &rst iat= 2776, 2809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 173 H86 H 176 THR H &rst iat= 2776, 2819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL H 176 THR H &rst iat= 2793, 2819, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL H 177 MET H &rst iat= 2793, 2833, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 175 ALA H 177 MET H &rst iat= 2809, 2833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 175 ALA H 176 THR H &rst iat= 2809, 2819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 175 ALA H 178 LEU H &rst iat= 2809, 2850, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 176 THR H 177 MET H &rst iat= 2819, 2833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 176 THR H 178 LEU H &rst iat= 2819, 2850, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 177 MET H 178 LEU H &rst iat= 2833, 2850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 178 LEU H 179 LYS H &rst iat= 2850, 2869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 179 LYS H 180 GLN H &rst iat= 2869, 2891, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 179 LYS H 181 ALA H &rst iat= 2869, 2908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 180 GLN H 181 ALA H &rst iat= 2891, 2908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 180 GLN H 182 ILE H &rst iat= 2891, 2918, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 181 ALA H 183 HID H &rst iat= 2908, 2937, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 182 ILE H 183 HID H &rst iat= 2918, 2937, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 183 HID H 186 ASN H &rst iat= 2937, 2981, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 183 HID H 184 H97 H &rst iat= 2937, 2954, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 184 H97 H 185 ALA H &rst iat= 2954, 2971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 184 H97 H 186 ASN H &rst iat= 2954, 2981, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 185 ALA H 186 ASN H &rst iat= 2971, 2981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 185 ALA H 187 H10 H &rst iat= 2971, 2995, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 186 ASN H 187 H10 H &rst iat= 2981, 2995, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 176 THR H 179 LYS H &rst iat= 2819, 2869, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE H 120 GLU H &rst iat= 1860, 1939, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL H 106 ILE H &rst iat= 1647, 1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 13 LYS H 111 GLY H &rst iat= 200, 1782, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 184 H97 HE1 &rst iat= 1214, 2963, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 108 LYS H 16 GLY H &rst iat= 1731, 251, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 89 h97 HE1 &rst iat= 2745, 1432, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU H 182 ILE HD1* &rst iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL H 182 ILE HD1* &rst iat= 116, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG1* 182 ILE H &rst iat= -1, 2918, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 122, 123, 124, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG1* 183 HID H &rst iat= -1, 2937, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 122, 123, 124, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG1* 184 H97 H &rst iat= -1, 2954, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 122, 123, 124, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG1* 184 H97 H &rst iat= -1, 2954, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1268, 1269, 1270, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE HD1* 185 ALA H &rst iat= -1, 2971, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 174, 175, 176, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE HD1* 184 H97 H &rst iat= -1, 2954, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 174, 175, 176, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD1* 117 ARG H &rst iat= -1, 1879, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 67, 68, 69, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD2* 117 ARG H &rst iat= -1, 1879, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 71, 72, 73, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD2* 120 GLU H &rst iat= -1, 1939, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 71, 72, 73, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD2* 182 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 71, 72, 73, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG1* 182 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 122, 123, 124, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG2* 182 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 126, 127, 128, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG* 116 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 122, 123, 124, 126, 127, 128, igr2= 1873, 1874, 1875, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 18 TYR HD* 100 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 278, 287, igr2= 1598, 1599, 1600, 1602, 1603, 1604, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD* 107 PHE HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, 245, 246, 247, igr2= 1719, 1727, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD* 107 PHE HE* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, 245, 246, 247, igr2= 1721, 1725, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD* 110 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, 245, 246, 247, igr2= 1772, 1773, 1774, 1776, 1777, 1778, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 78 h86 HB* 184 H97 HB* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, igr1= 1249, 1250, igr2= 2958, 2959, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU H 87 ILE HD1* &rst iat= 1589, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 0, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL H 87 ILE HD1* &rst iat= 1647, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 0, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG1* 87 ILE H &rst iat= -1, 1387, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1653, 1654, 1655, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG1* 88 HID H &rst iat= -1, 1406, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1653, 1654, 1655, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG1* 89 h97 H &rst iat= -1, 1423, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1653, 1654, 1655, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG1* 89 h97 H &rst iat= -1, 1423, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 2799, 2800, 2801, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE HD1* 90 ALA H &rst iat= -1, 1440, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1705, 1706, 1707, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE HD1* 89 h97 H &rst iat= -1, 1423, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1705, 1706, 1707, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD1* 22 ARG H &rst iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1598, 1599, 1600, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD2* 22 ARG H &rst iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1602, 1603, 1604, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD2* 25 GLU H &rst iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1602, 1603, 1604, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD2* 87 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1602, 1603, 1604, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG1* 87 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1653, 1654, 1655, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG2* 87 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1657, 1658, 1659, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG* 21 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1653, 1654, 1655, 1657, 1658, 1659, igr2= 342, 343, 344, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 113 TYR HD* 5 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1809, 1818, igr2= 67, 68, 69, 71, 72, 73, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD* 12 PHE HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1772, 1773, 1774, 1776, 1777, 1778, igr2= 188, 196, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD* 12 PHE HE* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1772, 1773, 1774, 1776, 1777, 1778, igr2= 190, 194, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD* 15 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 1772, 1773, 1774, 1776, 1777, 1778, igr2= 241, 242, 243, 245, 246, 247, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 173 H86 HB* 89 h97 HB* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, igr1= 2780, 2781, igr2= 1427, 1428, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD* 6 GLU H &rst iat= -1, 77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 67, 68, 69, 71, 72, 73, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD2* 7 ARG H &rst iat= -1, 92, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 71, 72, 73, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD1* 7 ARG H &rst iat= -1, 92, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 67, 68, 69, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD1* 8 VAL H &rst iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 67, 68, 69, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD1* 8 VAL H &rst iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 67, 68, 69, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 7 ARG H 8 VAL HG2* &rst iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 126, 127, 128, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG1* 9 THR H &rst iat= -1, 132, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 122, 123, 124, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG2* 10 GLU H &rst iat= -1, 146, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 126, 127, 128, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG* 11 ILE H &rst iat= -1, 161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 122, 123, 124, 126, 127, 128, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE HD1* 12 PHE H &rst iat= -1, 180, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 174, 175, 176, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE HD1* 13 LYS H &rst iat= -1, 200, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 174, 175, 176, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU H 5 LEU HD* &rst iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, igr1= 0, igr2= 67, 68, 69, 71, 72, 73, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL H 8 VAL HG2* &rst iat= 116, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 126, 127, 128, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL H 8 VAL HG1* &rst iat= 116, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 122, 123, 124, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE H 11 ILE HD1* &rst iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 174, 175, 176, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 12 PHE H 15 LEU HD1* &rst iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 241, 242, 243, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 12 PHE H 15 LEU HD2* &rst iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 245, 246, 247, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 14 ALA H 15 LEU HD1* &rst iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 241, 242, 243, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 14 ALA H 58 VAL HG2* &rst iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 927, 928, 929, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD1* 16 GLY H &rst iat= -1, 251, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD2* 16 GLY H &rst iat= -1, 251, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 245, 246, 247, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU H 58 VAL HG* &rst iat= 232, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 923, 924, 925, 927, 928, 929, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU H 60 LEU HD* &rst iat= 232, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 959, 960, 961, 963, 964, 965, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 16 GLY H 60 LEU HD* &rst iat= 251, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 0, igr2= 959, 960, 961, 963, 964, 965, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 17 ASP H 21 ILE HD1* &rst iat= 258, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 342, 343, 344, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 20 ARG H 23 ILE HD1* &rst iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 385, 386, 387, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 20 ARG H 55 LEU HD* &rst iat= 305, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 874, 875, 876, 878, 879, 880, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE H 21 ILE HD1* &rst iat= 329, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 342, 343, 344, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE H 23 ILE HD1* &rst iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 385, 386, 387, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE HD1* 22 ARG H &rst iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 342, 343, 344, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE HD1* 24 MET H &rst iat= -1, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 342, 343, 344, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE HD1* 25 GLU H &rst iat= -1, 408, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 342, 343, 344, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE HD1* 24 MET H &rst iat= -1, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 385, 386, 387, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 22 ARG H 41 LEU HD* &rst iat= 348, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 648, 649, 650, 652, 653, 654, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE H 23 ILE HD1* &rst iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 385, 386, 387, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE H 41 LEU HD* &rst iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 648, 649, 650, 652, 653, 654, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 24 MET H 41 LEU HD2* &rst iat= 391, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 652, 653, 654, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 25 GLU H 27 LEU HD* &rst iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 451, 452, 453, 455, 456, 457, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD1* 31 GLU H &rst iat= -1, 499, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 432, 433, 434, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD1* 32 ALA H &rst iat= -1, 514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 432, 433, 434, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU H 27 LEU HD2* &rst iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 455, 456, 457, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU H 27 LEU HD1* &rst iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 451, 452, 453, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD* 28 SER H &rst iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 451, 452, 453, 455, 456, 457, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD2* 31 GLU H &rst iat= -1, 499, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 455, 456, 457, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD2* 32 ALA H &rst iat= -1, 514, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 455, 456, 457, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD2* 73 SER H &rst iat= -1, 1172, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 455, 456, 457, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 29 VAL HG1* 30 SER H &rst iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 478, 479, 480, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 29 VAL HG2* 30 SER H &rst iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 482, 483, 484, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 29 VAL H 74 LEU HD* &rst iat= 472, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 1192, 1193, 1194, 1196, 1197, 1198, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 28 SER H 29 VAL HG* &rst iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 478, 479, 480, 482, 483, 484, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 28 SER H 74 LEU HD* &rst iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1192, 1193, 1194, 1196, 1197, 1198, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 33 SER H 71 ILE HD1* &rst iat= 524, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 1145, 1146, 1147, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL H 37 ILE HD1* &rst iat= 535, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 588, 589, 590, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL H 48 VAL HG* &rst iat= 535, -1, r1= 2.30, r2= 2.80, r3= 6.40, r4= 6.90, igr1= 0, igr2= 750, 751, 752, 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL HG* 35 GLY H &rst iat= -1, 551, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 541, 542, 543, 545, 546, 547, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL HG* 36 HIE H &rst iat= -1, 558, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 541, 542, 543, 545, 546, 547, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL HG2* 49 SER H &rst iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 545, 546, 547, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL HG2* 52 LEU H &rst iat= -1, 805, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 545, 546, 547, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL HG2* 70 MET H &rst iat= -1, 1115, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 545, 546, 547, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 37 ILE HD1* 38 SER H &rst iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 588, 589, 590, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 36 HIE H 37 ILE HD1* &rst iat= 558, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 588, 589, 590, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 36 HIE H 48 VAL HG2* &rst iat= 558, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 0, igr2= 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 36 HIE H 48 VAL HG1* &rst iat= 558, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 0, igr2= 750, 751, 752, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 37 ILE H 48 VAL HG* &rst iat= 575, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 750, 751, 752, 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 38 SER H 48 VAL HG* &rst iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 750, 751, 752, 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 39 HIE H 48 VAL HG2* &rst iat= 605, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 41 LEU H 41 LEU HD1* &rst iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 648, 649, 650, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 41 LEU H 41 LEU HD2* &rst iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 652, 653, 654, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 41 LEU HD1* 42 ASN H &rst iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 648, 649, 650, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 41 LEU HD2* 42 ASN H &rst iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 652, 653, 654, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 41 LEU HD* 43 LEU H &rst iat= -1, 672, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 648, 649, 650, 652, 653, 654, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 48 VAL HG* 49 SER H &rst iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 750, 751, 752, 754, 755, 756, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 48 VAL HG* 50 HIE H &rst iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 750, 751, 752, 754, 755, 756, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 48 VAL HG* 51 GLN H &rst iat= -1, 788, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 750, 751, 752, 754, 755, 756, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 48 VAL HG2* 52 LEU H &rst iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 754, 755, 756, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 49 SER H 52 LEU HD* &rst iat= 760, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 814, 815, 816, 818, 819, 820, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 51 GLN H 52 LEU HD1* &rst iat= 788, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 814, 815, 816, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 51 GLN H 52 LEU HD2* &rst iat= 788, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 818, 819, 820, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD1* 53 LYS H &rst iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 814, 815, 816, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD2* 53 LYS H &rst iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 818, 819, 820, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU H 52 LEU HD* &rst iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 814, 815, 816, 818, 819, 820, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD* 55 LEU H &rst iat= -1, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 814, 815, 816, 818, 819, 820, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD* 56 LYS H &rst iat= -1, 884, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 814, 815, 816, 818, 819, 820, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD* 62 LYS H &rst iat= -1, 985, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 814, 815, 816, 818, 819, 820, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD2* 72 TYR H &rst iat= -1, 1151, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 818, 819, 820, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD2* 73 SER H &rst iat= -1, 1172, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 818, 819, 820, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU H 55 LEU HD* &rst iat= 846, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 874, 875, 876, 878, 879, 880, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU HD* 55 LEU H &rst iat= -1, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 855, 856, 857, 859, 860, 861, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU HD* 56 LYS H &rst iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 855, 856, 857, 859, 860, 861, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU HD* 57 SER H &rst iat= -1, 906, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 855, 856, 857, 859, 860, 861, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD* 56 LYS H &rst iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 874, 875, 876, 878, 879, 880, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 56 LYS H 58 VAL HG* &rst iat= 884, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 923, 924, 925, 927, 928, 929, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 56 LYS H 61 VAL HG2* &rst iat= 884, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 979, 980, 981, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL HG2* 60 LEU H &rst iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 927, 928, 929, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 57 SER H 61 VAL HG* &rst iat= 906, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 975, 976, 977, 979, 980, 981, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL H 60 LEU HD* &rst iat= 917, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 959, 960, 961, 963, 964, 965, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL H 61 VAL HG2* &rst iat= 917, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 979, 980, 981, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL HG* 59 HIE H &rst iat= -1, 933, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 923, 924, 925, 927, 928, 929, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL HG* 60 LEU H &rst iat= -1, 950, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 923, 924, 925, 927, 928, 929, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 58 VAL HG* 61 VAL H &rst iat= -1, 969, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 923, 924, 925, 927, 928, 929, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 59 HIE H 60 LEU HD* &rst iat= 933, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 959, 960, 961, 963, 964, 965, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 59 HIE H 61 VAL HG* &rst iat= 933, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 975, 976, 977, 979, 980, 981, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 60 LEU HD* 61 VAL H &rst iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 959, 960, 961, 963, 964, 965, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 61 VAL HG* 62 LYS H &rst iat= -1, 985, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 975, 976, 977, 979, 980, 981, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 61 VAL HG* 63 ALA H &rst iat= -1, 1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 975, 976, 977, 979, 980, 981, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 61 VAL HG* 73 SER H &rst iat= -1, 1172, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 975, 976, 977, 979, 980, 981, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 64 LYS H 71 ILE HD1* &rst iat= 1017, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1145, 1146, 1147, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 66 GLN H 71 ILE HD1* &rst iat= 1063, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 1145, 1146, 1147, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 69 SER H 71 ILE HD1* &rst iat= 1104, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1145, 1146, 1147, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 70 MET H 71 ILE HD1* &rst iat= 1115, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1145, 1146, 1147, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 71 ILE HD1* 72 TYR H &rst iat= -1, 1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1145, 1146, 1147, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 77 ILE HD1* 79 VAL H &rst iat= -1, 1262, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1239, 1240, 1241, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG1* 80 ALA H &rst iat= -1, 1278, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1268, 1269, 1270, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 79 VAL HG1* &rst iat= 1214, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1268, 1269, 1270, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 79 VAL HG2* &rst iat= 1214, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1272, 1273, 1274, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG2* 80 ALA H &rst iat= -1, 1278, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1272, 1273, 1274, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG* 81 THR H &rst iat= -1, 1288, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1268, 1269, 1270, 1272, 1273, 1274, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 83 LEU HD1* 84 LYS H &rst iat= -1, 1338, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1328, 1329, 1330, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 83 LEU HD2* 84 LYS H &rst iat= -1, 1338, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1332, 1333, 1334, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 84 LYS H 87 ILE HD1* &rst iat= 1338, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 87 ILE HD1* 88 HID H &rst iat= -1, 1406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1400, 1401, 1402, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD1* 72 TYR H &rst iat= -1, 1151, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 451, 452, 453, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD1* 74 LEU H &rst iat= -1, 1183, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 451, 452, 453, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 41 LEU HD1* 32 ALA H &rst iat= -1, 514, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 648, 649, 650, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD2* 32 ALA H &rst iat= -1, 514, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 818, 819, 820, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU HD* 80 ALA H &rst iat= -1, 1278, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1192, 1193, 1194, 1196, 1197, 1198, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 76 d84 H 79 VAL HG2* &rst iat= 1214, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1272, 1273, 1274, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 87 ILE HD1* 89 h97 H &rst iat= -1, 1423, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1400, 1401, 1402, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG* 12 PHE H &rst iat= -1, 180, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 122, 123, 124, 126, 127, 128, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 25 GLU H 83 LEU HD1* &rst iat= 408, -1, r1= -0.50, r2= 0.00, r3= 1.60, r4= 2.10, igr1= 0, igr2= 1328, 1329, 1330, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 25 GLU H 83 LEU HD2* &rst iat= 408, -1, r1= -0.50, r2= 0.00, r3= 1.60, r4= 2.10, igr1= 0, igr2= 1332, 1333, 1334, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD* 27 LEU H &rst iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 432, 433, 434, 436, 437, 438, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD* 28 SER H &rst iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 432, 433, 434, 436, 437, 438, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD* 29 VAL H &rst iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 432, 433, 434, 436, 437, 438, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD* 74 LEU H &rst iat= -1, 1183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 451, 452, 453, 455, 456, 457, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL H 52 LEU HD* &rst iat= 535, -1, r1= -0.50, r2= 0.00, r3= 2.60, r4= 3.10, igr1= 0, igr2= 814, 815, 816, 818, 819, 820, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 61 VAL HG* 73 SER H &rst iat= -1, 1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 975, 976, 977, 979, 980, 981, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU HD* 76 d84 H &rst iat= -1, 1214, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1192, 1193, 1194, 1196, 1197, 1198, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG* 80 ALA H &rst iat= -1, 1278, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr1= 1268, 1269, 1270, 1272, 1273, 1274, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG* 81 THR H &rst iat= -1, 1288, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 1268, 1269, 1270, 1272, 1273, 1274, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG* 82 MET H &rst iat= -1, 1302, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 1268, 1269, 1270, 1272, 1273, 1274, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG* 83 LEU H &rst iat= -1, 1319, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 1268, 1269, 1270, 1272, 1273, 1274, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 5 LEU HD2* 8 VAL HG1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 71, 72, 73, igr2= 122, 123, 124, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 8 VAL HG2* 11 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 126, 127, 128, igr2= 174, 175, 176, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE HD1* 15 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 174, 175, 176, igr2= 245, 246, 247, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 11 ILE HD1* 60 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr1= 174, 175, 176, igr2= 959, 960, 961, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD1* 21 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, igr2= 342, 343, 344, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD2* 21 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 245, 246, 247, igr2= 342, 343, 344, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD2* 60 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 245, 246, 247, igr2= 959, 960, 961, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD1* 60 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, igr2= 959, 960, 961, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD1* 60 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, igr2= 963, 964, 965, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 15 LEU HD* 83 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 241, 242, 243, 245, 246, 247, igr2= 1328, 1329, 1330, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 21 ILE HD1* 83 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 342, 343, 344, igr2= 1332, 1333, 1334, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE HG* 37 ILE HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 383, 382, 378, 379, 380, igr2= 588, 589, 590, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE HD1* 48 VAL HG2* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 385, 386, 387, igr2= 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE HD1* 48 VAL HG1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 385, 386, 387, igr2= 750, 751, 752, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE HD1* 41 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 385, 386, 387, igr2= 648, 649, 650, 652, 653, 654, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 23 ILE HD1* 43 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.60, r4= 7.10, igr1= 385, 386, 387, igr2= 681, 682, 683, 685, 686, 687, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD* 29 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 432, 433, 434, 436, 437, 438, igr2= 478, 479, 480, 482, 483, 484, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD* 37 ILE HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 432, 433, 434, 436, 437, 438, igr2= 581, 582, 583, 585, 586, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD* 37 ILE HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 451, 452, 453, 455, 456, 457, igr2= 588, 589, 590, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD* 55 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr1= 451, 452, 453, 455, 456, 457, igr2= 874, 875, 876, 878, 879, 880, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD1* 74 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 451, 452, 453, igr2= 1196, 1197, 1198, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 27 LEU HD* 52 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 451, 452, 453, 455, 456, 457, igr2= 814, 815, 816, 818, 819, 820, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 26 LEU HD* 27 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 432, 433, 434, 436, 437, 438, igr2= 451, 452, 453, 455, 456, 457, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL HG1* 48 VAL HG2* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 541, 542, 543, igr2= 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 34 VAL HG2* 52 LEU HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 545, 546, 547, igr2= 814, 815, 816, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 37 ILE HD1* 52 LEU HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 588, 589, 590, igr2= 814, 815, 816, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 37 ILE HD1* 52 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 588, 589, 590, igr2= 818, 819, 820, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 37 ILE HD1* 48 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 588, 589, 590, igr2= 754, 755, 756, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 52 LEU HD* 55 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 814, 815, 816, 818, 819, 820, igr2= 874, 875, 876, 878, 879, 880, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU HD* 55 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 855, 856, 857, 859, 860, 861, igr2= 874, 875, 876, 878, 879, 880, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 54 LEU HD* 58 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 855, 856, 857, 859, 860, 861, igr2= 923, 924, 925, 927, 928, 929, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD1* 61 VAL HG1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 874, 875, 876, igr2= 975, 976, 977, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD1* 61 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 874, 875, 876, igr2= 979, 980, 981, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD2* 61 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 878, 879, 880, igr2= 979, 980, 981, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD2* 61 VAL HG1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 878, 879, 880, igr2= 975, 976, 977, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD* 58 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 874, 875, 876, 878, 879, 880, igr2= 923, 924, 925, 927, 928, 929, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD* 60 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 874, 875, 876, 878, 879, 880, igr2= 959, 960, 961, 963, 964, 965, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 55 LEU HD* 61 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 874, 875, 876, 878, 879, 880, igr2= 975, 976, 977, 979, 980, 981, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 60 LEU HD* 79 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 959, 960, 961, 963, 964, 965, igr2= 1268, 1269, 1270, 1272, 1273, 1274, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 61 VAL HG* 74 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 975, 976, 977, 979, 980, 981, igr2= 1192, 1193, 1194, 1196, 1197, 1198, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 61 VAL HG2* 79 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 979, 980, 981, igr2= 1272, 1273, 1274, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU HD1* 83 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1192, 1193, 1194, igr2= 1332, 1333, 1334, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU HD2* 83 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1196, 1197, 1198, igr2= 1332, 1333, 1334, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU HD1* 83 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1192, 1193, 1194, igr2= 1328, 1329, 1330, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU HD2* 83 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1196, 1197, 1198, igr2= 1328, 1329, 1330, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 74 LEU HD* 79 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1192, 1193, 1194, 1196, 1197, 1198, igr2= 1268, 1269, 1270, 1272, 1273, 1274, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 79 VAL HG* 83 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1268, 1269, 1270, 1272, 1273, 1274, igr2= 1328, 1329, 1330, 1332, 1333, 1334, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 83 LEU HD1* 87 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1328, 1329, 1330, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 83 LEU HD2* 87 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1332, 1333, 1334, igr2= 1400, 1401, 1402, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD* 101 GLU H &rst iat= -1, 1608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1598, 1599, 1600, 1602, 1603, 1604, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD2* 102 ARG H &rst iat= -1, 1623, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1602, 1603, 1604, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD1* 102 ARG H &rst iat= -1, 1623, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1598, 1599, 1600, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD1* 103 VAL H &rst iat= -1, 1647, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1598, 1599, 1600, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD1* 103 VAL H &rst iat= -1, 1647, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1598, 1599, 1600, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 102 ARG H 103 VAL HG2* &rst iat= 1623, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1657, 1658, 1659, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG1* 104 THR H &rst iat= -1, 1663, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1653, 1654, 1655, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG2* 105 GLU H &rst iat= -1, 1677, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1657, 1658, 1659, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG* 106 ILE H &rst iat= -1, 1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1653, 1654, 1655, 1657, 1658, 1659, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE HD1* 107 PHE H &rst iat= -1, 1711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1705, 1706, 1707, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE HD1* 108 LYS H &rst iat= -1, 1731, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1705, 1706, 1707, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU H 100 LEU HD* &rst iat= 1589, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, igr1= 0, igr2= 1598, 1599, 1600, 1602, 1603, 1604, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL H 103 VAL HG2* &rst iat= 1647, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1657, 1658, 1659, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL H 103 VAL HG1* &rst iat= 1647, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1653, 1654, 1655, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE H 106 ILE HD1* &rst iat= 1692, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1705, 1706, 1707, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 107 PHE H 110 LEU HD1* &rst iat= 1711, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1772, 1773, 1774, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 107 PHE H 110 LEU HD2* &rst iat= 1711, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1776, 1777, 1778, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 109 ALA H 110 LEU HD1* &rst iat= 1753, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1772, 1773, 1774, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 109 ALA H 153 VAL HG2* &rst iat= 1753, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2458, 2459, 2460, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD1* 111 GLY H &rst iat= -1, 1782, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1772, 1773, 1774, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD2* 111 GLY H &rst iat= -1, 1782, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1776, 1777, 1778, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU H 153 VAL HG* &rst iat= 1763, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2454, 2455, 2456, 2458, 2459, 2460, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU H 155 LEU HD* &rst iat= 1763, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2490, 2491, 2492, 2494, 2495, 2496, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 111 GLY H 155 LEU HD* &rst iat= 1782, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 0, igr2= 2490, 2491, 2492, 2494, 2495, 2496, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 112 ASP H 116 ILE HD1* &rst iat= 1789, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1873, 1874, 1875, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 115 ARG H 118 ILE HD1* &rst iat= 1836, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1916, 1917, 1918, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 115 ARG H 150 LEU HD* &rst iat= 1836, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2405, 2406, 2407, 2409, 2410, 2411, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE H 116 ILE HD1* &rst iat= 1860, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1873, 1874, 1875, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE H 118 ILE HD1* &rst iat= 1860, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 1916, 1917, 1918, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE HD1* 117 ARG H &rst iat= -1, 1879, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1873, 1874, 1875, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE HD1* 119 MET H &rst iat= -1, 1922, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1873, 1874, 1875, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE HD1* 120 GLU H &rst iat= -1, 1939, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1873, 1874, 1875, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE HD1* 119 MET H &rst iat= -1, 1922, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1916, 1917, 1918, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 117 ARG H 136 LEU HD* &rst iat= 1879, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 2179, 2180, 2181, 2183, 2184, 2185, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE H 118 ILE HD1* &rst iat= 1903, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1916, 1917, 1918, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE H 136 LEU HD* &rst iat= 1903, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2179, 2180, 2181, 2183, 2184, 2185, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 119 MET H 136 LEU HD2* &rst iat= 1922, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 2183, 2184, 2185, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 120 GLU H 122 LEU HD* &rst iat= 1939, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1982, 1983, 1984, 1986, 1987, 1988, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD1* 126 GLU H &rst iat= -1, 2030, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1963, 1964, 1965, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD1* 127 ALA H &rst iat= -1, 2045, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 1963, 1964, 1965, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU H 122 LEU HD2* &rst iat= 1973, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1986, 1987, 1988, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU H 122 LEU HD1* &rst iat= 1973, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 1982, 1983, 1984, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD* 123 SER H &rst iat= -1, 1992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1982, 1983, 1984, 1986, 1987, 1988, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD2* 126 GLU H &rst iat= -1, 2030, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1986, 1987, 1988, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD2* 127 ALA H &rst iat= -1, 2045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 1986, 1987, 1988, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD2* 168 SER H &rst iat= -1, 2703, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 1986, 1987, 1988, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 124 VAL HG1* 125 SER H &rst iat= -1, 2019, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2009, 2010, 2011, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 124 VAL HG2* 125 SER H &rst iat= -1, 2019, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2013, 2014, 2015, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 124 VAL H 169 LEU HD* &rst iat= 2003, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 2723, 2724, 2725, 2727, 2728, 2729, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 123 SER H 124 VAL HG* &rst iat= 1992, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2009, 2010, 2011, 2013, 2014, 2015, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 123 SER H 169 LEU HD* &rst iat= 1992, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2723, 2724, 2725, 2727, 2728, 2729, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 128 SER H 166 ILE HD1* &rst iat= 2055, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 2676, 2677, 2678, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL H 132 ILE HD1* &rst iat= 2066, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2119, 2120, 2121, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL H 143 VAL HG* &rst iat= 2066, -1, r1= 2.30, r2= 2.80, r3= 6.40, r4= 6.90, igr1= 0, igr2= 2281, 2282, 2283, 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL HG* 130 GLY H &rst iat= -1, 2082, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2072, 2073, 2074, 2076, 2077, 2078, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL HG* 131 HIE H &rst iat= -1, 2089, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2072, 2073, 2074, 2076, 2077, 2078, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL HG2* 144 SER H &rst iat= -1, 2291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2076, 2077, 2078, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL HG2* 147 LEU H &rst iat= -1, 2336, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2076, 2077, 2078, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL HG2* 165 MET H &rst iat= -1, 2646, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2076, 2077, 2078, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 132 ILE HD1* 133 SER H &rst iat= -1, 2125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2119, 2120, 2121, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 131 HIE H 132 ILE HD1* &rst iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2119, 2120, 2121, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 131 HIE H 143 VAL HG2* &rst iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 0, igr2= 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 131 HIE H 143 VAL HG1* &rst iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 0, igr2= 2281, 2282, 2283, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 132 ILE H 143 VAL HG* &rst iat= 2106, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2281, 2282, 2283, 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 133 SER H 143 VAL HG* &rst iat= 2125, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2281, 2282, 2283, 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 134 HIE H 143 VAL HG2* &rst iat= 2136, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 136 LEU H 136 LEU HD1* &rst iat= 2170, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2179, 2180, 2181, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 136 LEU H 136 LEU HD2* &rst iat= 2170, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2183, 2184, 2185, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 136 LEU HD1* 137 ASN H &rst iat= -1, 2189, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2179, 2180, 2181, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 136 LEU HD2* 137 ASN H &rst iat= -1, 2189, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2183, 2184, 2185, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 136 LEU HD* 138 LEU H &rst iat= -1, 2203, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2179, 2180, 2181, 2183, 2184, 2185, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 143 VAL HG* 144 SER H &rst iat= -1, 2291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2281, 2282, 2283, 2285, 2286, 2287, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 143 VAL HG* 145 HIE H &rst iat= -1, 2302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2281, 2282, 2283, 2285, 2286, 2287, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 143 VAL HG* 146 GLN H &rst iat= -1, 2319, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2281, 2282, 2283, 2285, 2286, 2287, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 143 VAL HG2* 147 LEU H &rst iat= -1, 2336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2285, 2286, 2287, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 144 SER H 147 LEU HD* &rst iat= 2291, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2345, 2346, 2347, 2349, 2350, 2351, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 146 GLN H 147 LEU HD1* &rst iat= 2319, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2345, 2346, 2347, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 146 GLN H 147 LEU HD2* &rst iat= 2319, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2349, 2350, 2351, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD1* 148 LYS H &rst iat= -1, 2355, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2345, 2346, 2347, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD2* 148 LYS H &rst iat= -1, 2355, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2349, 2350, 2351, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU H 147 LEU HD* &rst iat= 2336, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2345, 2346, 2347, 2349, 2350, 2351, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD* 150 LEU H &rst iat= -1, 2396, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2345, 2346, 2347, 2349, 2350, 2351, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD* 151 LYS H &rst iat= -1, 2415, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2345, 2346, 2347, 2349, 2350, 2351, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD* 157 LYS H &rst iat= -1, 2516, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2345, 2346, 2347, 2349, 2350, 2351, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD2* 167 TYR H &rst iat= -1, 2682, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2349, 2350, 2351, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD2* 168 SER H &rst iat= -1, 2703, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2349, 2350, 2351, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU H 150 LEU HD* &rst iat= 2377, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2405, 2406, 2407, 2409, 2410, 2411, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU HD* 150 LEU H &rst iat= -1, 2396, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2386, 2387, 2388, 2390, 2391, 2392, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU HD* 151 LYS H &rst iat= -1, 2415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2386, 2387, 2388, 2390, 2391, 2392, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU HD* 152 SER H &rst iat= -1, 2437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2386, 2387, 2388, 2390, 2391, 2392, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD* 151 LYS H &rst iat= -1, 2415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2405, 2406, 2407, 2409, 2410, 2411, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 151 LYS H 153 VAL HG* &rst iat= 2415, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2454, 2455, 2456, 2458, 2459, 2460, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 151 LYS H 156 VAL HG2* &rst iat= 2415, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2510, 2511, 2512, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL HG2* 155 LEU H &rst iat= -1, 2481, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 2458, 2459, 2460, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 152 SER H 156 VAL HG* &rst iat= 2437, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 2506, 2507, 2508, 2510, 2511, 2512, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL H 155 LEU HD* &rst iat= 2448, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2490, 2491, 2492, 2494, 2495, 2496, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL H 156 VAL HG2* &rst iat= 2448, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2510, 2511, 2512, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL HG* 154 HIE H &rst iat= -1, 2464, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2454, 2455, 2456, 2458, 2459, 2460, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL HG* 155 LEU H &rst iat= -1, 2481, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2454, 2455, 2456, 2458, 2459, 2460, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 153 VAL HG* 156 VAL H &rst iat= -1, 2500, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2454, 2455, 2456, 2458, 2459, 2460, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 154 HIE H 155 LEU HD* &rst iat= 2464, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2490, 2491, 2492, 2494, 2495, 2496, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 154 HIE H 156 VAL HG* &rst iat= 2464, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2506, 2507, 2508, 2510, 2511, 2512, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 155 LEU HD* 156 VAL H &rst iat= -1, 2500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2490, 2491, 2492, 2494, 2495, 2496, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 156 VAL HG* 157 LYS H &rst iat= -1, 2516, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2506, 2507, 2508, 2510, 2511, 2512, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 156 VAL HG* 158 ALA H &rst iat= -1, 2538, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2506, 2507, 2508, 2510, 2511, 2512, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 156 VAL HG* 168 SER H &rst iat= -1, 2703, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 2506, 2507, 2508, 2510, 2511, 2512, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 159 LYS H 166 ILE HD1* &rst iat= 2548, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2676, 2677, 2678, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 161 GLN H 166 ILE HD1* &rst iat= 2594, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 0, igr2= 2676, 2677, 2678, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 164 SER H 166 ILE HD1* &rst iat= 2635, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2676, 2677, 2678, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 165 MET H 166 ILE HD1* &rst iat= 2646, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2676, 2677, 2678, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 166 ILE HD1* 167 TYR H &rst iat= -1, 2682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2676, 2677, 2678, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 172 ILE HD1* 174 VAL H &rst iat= -1, 2793, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2770, 2771, 2772, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG1* 175 ALA H &rst iat= -1, 2809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2799, 2800, 2801, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 174 VAL HG1* &rst iat= 2745, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2799, 2800, 2801, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 174 VAL HG2* &rst iat= 2745, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2803, 2804, 2805, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG2* 175 ALA H &rst iat= -1, 2809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2803, 2804, 2805, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG* 176 THR H &rst iat= -1, 2819, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2799, 2800, 2801, 2803, 2804, 2805, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 178 LEU HD1* 179 LYS H &rst iat= -1, 2869, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2859, 2860, 2861, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 178 LEU HD2* 179 LYS H &rst iat= -1, 2869, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2863, 2864, 2865, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 179 LYS H 182 ILE HD1* &rst iat= 2869, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 0, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 182 ILE HD1* 183 HID H &rst iat= -1, 2937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2931, 2932, 2933, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end r1= -0.50, r2= 0.00, r3= 0.00, r4= 0.50, igr1= 0, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD1* 167 TYR H &rst iat= -1, 2682, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1982, 1983, 1984, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD1* 169 LEU H &rst iat= -1, 2714, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1982, 1983, 1984, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 136 LEU HD1* 127 ALA H &rst iat= -1, 2045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2179, 2180, 2181, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD2* 127 ALA H &rst iat= -1, 2045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2349, 2350, 2351, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU HD* 175 ALA H &rst iat= -1, 2809, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2723, 2724, 2725, 2727, 2728, 2729, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 171 D84 H 174 VAL HG2* &rst iat= 2745, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 0, igr2= 2803, 2804, 2805, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 182 ILE HD1* 184 H97 H &rst iat= -1, 2954, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2931, 2932, 2933, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end r1= -0.50, r2= 0.00, r3= 0.00, r4= 0.50, igr1= 0, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG* 107 PHE H &rst iat= -1, 1711, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1653, 1654, 1655, 1657, 1658, 1659, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 120 GLU H 178 LEU HD1* &rst iat= 1939, -1, r1= -0.50, r2= 0.00, r3= 1.60, r4= 2.10, igr1= 0, igr2= 2859, 2860, 2861, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 120 GLU H 178 LEU HD2* &rst iat= 1939, -1, r1= -0.50, r2= 0.00, r3= 1.60, r4= 2.10, igr1= 0, igr2= 2863, 2864, 2865, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD* 122 LEU H &rst iat= -1, 1973, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1963, 1964, 1965, 1967, 1968, 1969, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD* 123 SER H &rst iat= -1, 1992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1963, 1964, 1965, 1967, 1968, 1969, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD* 124 VAL H &rst iat= -1, 2003, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1963, 1964, 1965, 1967, 1968, 1969, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD* 169 LEU H &rst iat= -1, 2714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 1982, 1983, 1984, 1986, 1987, 1988, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL H 147 LEU HD* &rst iat= 2066, -1, r1= -0.50, r2= 0.00, r3= 2.60, r4= 3.10, igr1= 0, igr2= 2345, 2346, 2347, 2349, 2350, 2351, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 156 VAL HG* 168 SER H &rst iat= -1, 2703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 2506, 2507, 2508, 2510, 2511, 2512, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU HD* 171 D84 H &rst iat= -1, 2745, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2723, 2724, 2725, 2727, 2728, 2729, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG* 175 ALA H &rst iat= -1, 2809, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr1= 2799, 2800, 2801, 2803, 2804, 2805, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG* 176 THR H &rst iat= -1, 2819, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 2799, 2800, 2801, 2803, 2804, 2805, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG* 177 MET H &rst iat= -1, 2833, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 2799, 2800, 2801, 2803, 2804, 2805, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG* 178 LEU H &rst iat= -1, 2850, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 2799, 2800, 2801, 2803, 2804, 2805, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end r1= -0.50, r2= 0.00, r3= 0.00, r4= 0.50, igr1= 0, igr2= 0, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 100 LEU HD2* 103 VAL HG1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 1602, 1603, 1604, igr2= 1653, 1654, 1655, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 103 VAL HG2* 106 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1657, 1658, 1659, igr2= 1705, 1706, 1707, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE HD1* 110 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1705, 1706, 1707, igr2= 1776, 1777, 1778, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 106 ILE HD1* 155 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr1= 1705, 1706, 1707, igr2= 2490, 2491, 2492, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD1* 116 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1772, 1773, 1774, igr2= 1873, 1874, 1875, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD2* 116 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1776, 1777, 1778, igr2= 1873, 1874, 1875, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD2* 155 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1776, 1777, 1778, igr2= 2490, 2491, 2492, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD1* 155 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1772, 1773, 1774, igr2= 2490, 2491, 2492, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD1* 155 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1772, 1773, 1774, igr2= 2494, 2495, 2496, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 110 LEU HD* 178 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1772, 1773, 1774, 1776, 1777, 1778, igr2= 2859, 2860, 2861, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 116 ILE HD1* 178 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1873, 1874, 1875, igr2= 2863, 2864, 2865, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE HG* 132 ILE HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 1909, 1910, 1911, 1913, 1914 igr2= 2119, 2120, 2121, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE HD1* 143 VAL HG2* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 1916, 1917, 1918, igr2= 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE HD1* 143 VAL HG1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 1916, 1917, 1918, igr2= 2281, 2282, 2283, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE HD1* 136 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 1916, 1917, 1918, igr2= 2179, 2180, 2181, 2183, 2184, 2185, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 118 ILE HD1* 138 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.60, r4= 7.10, igr1= 1916, 1917, 1918, igr2= 2212, 2213, 2214, 2216, 2217, 2218, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD* 124 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1963, 1964, 1965, 1967, 1968, 1969, igr2= 2009, 2010, 2011, 2013, 2014, 2015, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD* 132 ILE HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 1963, 1964, 1965, 1967, 1968, 1969, igr2= 2112, 2113, 2114, 2116, 2117, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD* 132 ILE HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 1982, 1983, 1984, 1986, 1987, 1988, igr2= 2119, 2120, 2121, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD* 150 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr1= 1982, 1983, 1984, 1986, 1987, 1988, igr2= 2405, 2406, 2407, 2409, 2410, 2411, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD1* 169 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 1982, 1983, 1984, igr2= 2727, 2728, 2729, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 122 LEU HD* 147 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 1982, 1983, 1984, 1986, 1987, 1988, igr2= 2345, 2346, 2347, 2349, 2350, 2351, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 121 LEU HD* 122 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 1963, 1964, 1965, 1967, 1968, 1969, igr2= 1982, 1983, 1984, 1986, 1987, 1988, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL HG1* 143 VAL HG2* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 2072, 2073, 2074, igr2= 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 129 VAL HG2* 147 LEU HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 5.00, r4= 5.50, igr1= 2076, 2077, 2078, igr2= 2345, 2346, 2347, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 132 ILE HD1* 147 LEU HD1* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 2119, 2120, 2121, igr2= 2345, 2346, 2347, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 132 ILE HD1* 147 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2119, 2120, 2121, igr2= 2349, 2350, 2351, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 132 ILE HD1* 143 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 2119, 2120, 2121, igr2= 2285, 2286, 2287, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 147 LEU HD* 150 LEU HD* &rst iat= -1, -1, r1= 0.30, r2= 0.80, r3= 6.00, r4= 6.50, igr1= 2345, 2346, 2347, 2349, 2350, 2351, igr2= 2405, 2406, 2407, 2409, 2410, 2411, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU HD* 150 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2386, 2387, 2388, 2390, 2391, 2392, igr2= 2405, 2406, 2407, 2409, 2410, 2411, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 149 LEU HD* 153 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2386, 2387, 2388, 2390, 2391, 2392, igr2= 2454, 2455, 2456, 2458, 2459, 2460, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD1* 156 VAL HG1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2405, 2406, 2407, igr2= 2506, 2507, 2508, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD1* 156 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2405, 2406, 2407, igr2= 2510, 2511, 2512, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD2* 156 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2409, 2410, 2411, igr2= 2510, 2511, 2512, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD2* 156 VAL HG1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2409, 2410, 2411, igr2= 2506, 2507, 2508, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD* 153 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2405, 2406, 2407, 2409, 2410, 2411, igr2= 2454, 2455, 2456, 2458, 2459, 2460, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD* 155 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2405, 2406, 2407, 2409, 2410, 2411, igr2= 2490, 2491, 2492, 2494, 2495, 2496, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 150 LEU HD* 156 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2405, 2406, 2407, 2409, 2410, 2411, igr2= 2506, 2507, 2508, 2510, 2511, 2512, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 155 LEU HD* 174 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2490, 2491, 2492, 2494, 2495, 2496, igr2= 2799, 2800, 2801, 2803, 2804, 2805, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 156 VAL HG* 169 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2506, 2507, 2508, 2510, 2511, 2512, igr2= 2723, 2724, 2725, 2727, 2728, 2729, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 156 VAL HG2* 174 VAL HG2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2510, 2511, 2512, igr2= 2803, 2804, 2805, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU HD1* 178 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2723, 2724, 2725, igr2= 2863, 2864, 2865, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU HD2* 178 LEU HD2* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2727, 2728, 2729, igr2= 2863, 2864, 2865, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU HD1* 178 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2723, 2724, 2725, igr2= 2859, 2860, 2861, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU HD2* 178 LEU HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2727, 2728, 2729, igr2= 2859, 2860, 2861, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 169 LEU HD* 174 VAL HG* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2723, 2724, 2725, 2727, 2728, 2729, igr2= 2799, 2800, 2801, 2803, 2804, 2805, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 174 VAL HG* 178 LEU HD* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2799, 2800, 2801, 2803, 2804, 2805, igr2= 2859, 2860, 2861, 2863, 2864, 2865, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 178 LEU HD1* 182 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2859, 2860, 2861, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end # # 178 LEU HD2* 182 ILE HD1* &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 2863, 2864, 2865, igr2= 2931, 2932, 2933, rk2= 0.00, rk3= 30.00, ir6=1, &end #
Contact the webmaster for help, if required. Tuesday, April 30, 2024 2:06:17 PM GMT (wattos1)