NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
641376 | 6rh5 | 34394 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: NECAP_180523.rst # 2 SER HA 3 PRO HA &rst iat= 13,32, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 2 SER HA 3 PRO QD &rst iat= 13, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 23,24, &end # # 3 PRO HA 4 ASN HA &rst iat= 32,38, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 ASN HA 4 ASN QD &rst iat= 38, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 45,46, &end # # 4 ASN HA 5 SER HA &rst iat= 38,52, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 SER QB 6 MET H &rst iat= -1,61, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 54,55, &end # # 5 SER HA 7 ALA H &rst iat= 52,78, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 MET H 7 ALA QB &rst iat= 61, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 82,83,84, &end # # 6 MET HA 7 ALA QB &rst iat= 63, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 82,83,84, &end # # 6 MET HA 8 THR H &rst iat= 63,88, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 ALA H 7 ALA QB &rst iat= 78, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 82,83,84, &end # # 7 ALA H 8 THR H &rst iat= 78,88, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 ALA HA 8 THR H &rst iat= 80,88, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 ALA HA 8 THR QG2 &rst iat= 80, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 94,95,96, &end # # 7 ALA QB 8 THR H &rst iat= -1,88, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 82,83,84, &end # # 7 ALA QB 8 THR HA &rst iat= -1,90, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 82,83,84, &end # # 7 ALA QB 8 THR HB &rst iat= -1,92, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 82,83,84, &end # # 7 ALA H 9 GLU H &rst iat= 78,102, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 ALA HA 9 GLU H &rst iat= 80,102, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 ALA QB 9 GLU H &rst iat= -1,102, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 82,83,84, &end # # 8 THR H 8 THR QG2 &rst iat= 88, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 94,95,96, &end # # 8 THR HA 8 THR HB &rst iat= 90,92, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 THR HA 8 THR QG2 &rst iat= 90, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 94,95,96, &end # # 8 THR H 9 GLU H &rst iat= 88,102, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 THR HA 9 GLU H &rst iat= 90,102, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 THR HB 9 GLU H &rst iat= 92,102, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 THR QG2 9 GLU H &rst iat= -1,102, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 94,95,96, &end # # 9 GLU HA 9 GLU QG &rst iat= 104, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 109,110, &end # # 9 GLU H 10 LEU H &rst iat= 102,117, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLU HA 10 LEU H &rst iat= 104,117, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLU HA 10 LEU QB &rst iat= 104, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 121,122, &end # # 9 GLU HA 10 LEU HG &rst iat= 104,124, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLU QG 10 LEU H &rst iat= -1,117, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, &end # # 9 GLU QG 10 LEU HA &rst iat= -1,119, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, &end # # 9 GLU QG 10 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, igr2= 121,122, &end # # 9 GLU QG 10 LEU HG &rst iat= -1,124, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, &end # # 9 GLU H 11 GLU H &rst iat= 102,136, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLU QG 11 GLU H &rst iat= -1,136, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, &end # # 9 GLU QG 11 GLU HA &rst iat= -1,138, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, &end # # 9 GLU QG 11 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, igr2= 140,141, &end # # 9 GLU QG 11 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.01056, r4= 3.63776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, igr2= 143,144, &end # # 10 LEU H 10 LEU QB &rst iat= 117, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 121,122, &end # # 10 LEU H 10 LEU HG &rst iat= 117,124, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU H 10 LEU QD &rst iat= 117, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 126,127,128,130,131,132, &end # # 10 LEU HA 10 LEU HG &rst iat= 119,124, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU HA 10 LEU QD &rst iat= 119, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 126,127,128,130,131,132, &end # # 10 LEU QB 10 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 121,122, igr2= 126,127,128,130,131,132, &end # # 10 LEU H 11 GLU QB &rst iat= 117, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 140,141, &end # # 10 LEU HA 11 GLU H &rst iat= 119,136, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU QB 11 GLU H &rst iat= -1,136, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 121,122, &end # # 10 LEU HG 11 GLU H &rst iat= 124,136, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU QD 11 GLU H &rst iat= -1,136, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 126,127,128,130,131,132, &end # # 10 LEU QD 12 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 126,127,128,130,131,132, igr2= 161,166, &end # # 11 GLU H 11 GLU QB &rst iat= 136, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 140,141, &end # # 11 GLU H 11 GLU QG &rst iat= 136, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 143,144, &end # # 11 GLU HA 11 GLU QG &rst iat= 138, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 143,144, &end # # 11 GLU HA 12 TYR H &rst iat= 138,151, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 GLU HA 12 TYR QD &rst iat= 138, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 159,168, &end # # 11 GLU QB 12 TYR H &rst iat= -1,151, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 140,141, &end # # 11 GLU QB 12 TYR HA &rst iat= -1,153, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 140,141, &end # # 11 GLU QB 12 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 140,141, igr2= 155,156, &end # # 11 GLU HA 57 LYS QD &rst iat= 138, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 897,898, &end # # 11 GLU HA 57 LYS QE &rst iat= 138, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 900,901, &end # # 11 GLU QB 57 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 140,141, igr2= 894,895, &end # # 11 GLU QB 57 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 140,141, igr2= 897,898, &end # # 12 TYR H 12 TYR QB &rst iat= 151, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 155,156, &end # # 12 TYR H 12 TYR QD &rst iat= 151, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 159,168, &end # # 12 TYR H 12 TYR QE &rst iat= 151, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 161,166, &end # # 12 TYR HA 12 TYR QB &rst iat= 153, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 155,156, &end # # 12 TYR HA 12 TYR QD &rst iat= 153, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 159,168, &end # # 12 TYR H 13 GLU H &rst iat= 151,172, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 TYR H 13 GLU QG &rst iat= 151, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180, &end # # 12 TYR HA 13 GLU H &rst iat= 153,172, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 TYR HA 13 GLU HA &rst iat= 153,174, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 TYR HA 13 GLU QB &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 176,177, &end # # 12 TYR HA 13 GLU QG &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180, &end # # 12 TYR QB 13 GLU H &rst iat= -1,172, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 155,156, &end # # 12 TYR QB 13 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 155,156, igr2= 176,177, &end # # 12 TYR QB 13 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 155,156, igr2= 179,180, &end # # 12 TYR QD 13 GLU H &rst iat= -1,172, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, &end # # 12 TYR QD 13 GLU HA &rst iat= -1,174, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, &end # # 12 TYR QD 13 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, igr2= 176,177, &end # # 12 TYR QE 13 GLU H &rst iat= -1,172, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,166, &end # # 12 TYR QB 14 SER H &rst iat= -1,187, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 155,156, &end # # 12 TYR QD 14 SER H &rst iat= -1,187, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, &end # # 12 TYR QD 14 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, igr2= 191,192, &end # # 12 TYR QE 14 SER HA &rst iat= -1,189, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,166, &end # # 12 TYR QE 14 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,166, igr2= 191,192, &end # # 12 TYR H 57 LYS QG &rst iat= 151, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 12 TYR H 57 LYS QD &rst iat= 151, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 897,898, &end # # 12 TYR HA 57 LYS QB &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 891,892, &end # # 12 TYR HA 57 LYS QG &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 12 TYR HA 57 LYS QD &rst iat= 153, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 897,898, &end # # 12 TYR HA 57 LYS QE &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 900,901, &end # # 12 TYR QB 57 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 155,156, igr2= 891,892, &end # # 12 TYR QB 57 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 155,156, igr2= 900,901, &end # # 12 TYR QD 57 LYS HA &rst iat= -1,889, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, &end # # 12 TYR QD 57 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, igr2= 891,892, &end # # 12 TYR QD 57 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, igr2= 894,895, &end # # 12 TYR QD 57 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, igr2= 897,898, &end # # 12 TYR QD 57 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 159,168, igr2= 900,901, &end # # 12 TYR QE 57 LYS HA &rst iat= -1,889, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,166, &end # # 12 TYR QE 57 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,166, igr2= 891,892, &end # # 12 TYR QE 57 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,166, igr2= 897,898, &end # # 12 TYR QE 57 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,166, igr2= 900,901, &end # # 13 GLU H 13 GLU QB &rst iat= 172, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 176,177, &end # # 13 GLU H 13 GLU QG &rst iat= 172, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180, &end # # 13 GLU HA 13 GLU QG &rst iat= 174, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180, &end # # 13 GLU H 14 SER H &rst iat= 172,187, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU H 14 SER HA &rst iat= 172,189, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 14 SER H &rst iat= 174,187, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 14 SER HA &rst iat= 174,189, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 14 SER QB &rst iat= 174, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 191,192, &end # # 13 GLU QB 14 SER H &rst iat= -1,187, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, &end # # 13 GLU QB 14 SER HA &rst iat= -1,189, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, &end # # 13 GLU QG 14 SER H &rst iat= -1,187, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU QG 14 SER HA &rst iat= -1,189, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU QG 14 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, igr2= 191,192, &end # # 13 GLU H 55 THR QG2 &rst iat= 172, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 13 GLU HA 55 THR HB &rst iat= 174,866, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 55 THR QG2 &rst iat= 174, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 13 GLU QB 55 THR HB &rst iat= -1,866, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, &end # # 13 GLU QG 55 THR H &rst iat= -1,862, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU QG 55 THR HA &rst iat= -1,864, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU QG 55 THR HB &rst iat= -1,866, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU QG 55 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, igr2= 868,869,870, &end # # 13 GLU H 56 SER H &rst iat= 172,876, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 56 SER H &rst iat= 174,876, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 56 SER HA &rst iat= 174,878, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU QG 56 SER H &rst iat= -1,876, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU QG 56 SER HA &rst iat= -1,878, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU H 57 LYS HA &rst iat= 172,889, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU H 57 LYS QG &rst iat= 172, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 13 GLU H 57 LYS QD &rst iat= 172, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 897,898, &end # # 13 GLU H 57 LYS QE &rst iat= 172, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 900,901, &end # # 13 GLU HA 57 LYS H &rst iat= 174,887, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 57 LYS HA &rst iat= 174,889, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 GLU HA 57 LYS QB &rst iat= 174, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 891,892, &end # # 13 GLU HA 57 LYS QG &rst iat= 174, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 13 GLU HA 57 LYS QD &rst iat= 174, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 897,898, &end # # 13 GLU HA 57 LYS QE &rst iat= 174, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 900,901, &end # # 13 GLU QB 57 LYS H &rst iat= -1,887, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, &end # # 13 GLU QB 57 LYS HA &rst iat= -1,889, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, &end # # 13 GLU QB 57 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, igr2= 891,892, &end # # 13 GLU QB 57 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, igr2= 894,895, &end # # 13 GLU QB 57 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, igr2= 897,898, &end # # 13 GLU QB 57 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, igr2= 900,901, &end # # 13 GLU QG 57 LYS HA &rst iat= -1,889, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, &end # # 13 GLU QB 62 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, igr2= 970,979, &end # # 13 GLU QB 64 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, igr2= 1012,1013, &end # # 13 GLU QB 64 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 176,177, igr2= 1015,1016, &end # # 13 GLU QG 64 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, igr2= 1012,1013, &end # # 13 GLU QG 64 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180, igr2= 1015,1016, &end # # 14 SER H 14 SER QB &rst iat= 187, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 191,192, &end # # 14 SER HA 14 SER QB &rst iat= 189, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 191,192, &end # # 14 SER H 15 VAL H &rst iat= 187,198, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER H 15 VAL HA &rst iat= 187,200, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER H 15 VAL QG &rst iat= 187, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 204,205,206,208,209,210, &end # # 14 SER HA 15 VAL H &rst iat= 189,198, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER HA 15 VAL HA &rst iat= 189,200, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER HA 15 VAL HB &rst iat= 189,202, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER HA 15 VAL QG &rst iat= 189, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 204,205,206,208,209,210, &end # # 14 SER QB 15 VAL H &rst iat= -1,198, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 15 VAL HA &rst iat= -1,200, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 15 VAL HB &rst iat= -1,202, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 15 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, igr2= 204,205,206,208,209,210, &end # # 14 SER H 16 LEU QD &rst iat= 187, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225,227,228,229, &end # # 14 SER HA 16 LEU QD &rst iat= 189, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225,227,228,229, &end # # 14 SER QB 16 LEU H &rst iat= -1,214, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 16 LEU HA &rst iat= -1,216, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 16 LEU HG &rst iat= -1,221, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 16 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, igr2= 223,224,225,227,228,229, &end # # 14 SER H 55 THR HA &rst iat= 187,864, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER H 55 THR HB &rst iat= 187,866, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER H 55 THR QG2 &rst iat= 187, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 14 SER HA 55 THR HB &rst iat= 189,866, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER HA 55 THR QG2 &rst iat= 189, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 14 SER QB 55 THR HA &rst iat= -1,864, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 55 THR HB &rst iat= -1,866, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER H 56 SER H &rst iat= 187,876, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER H 56 SER QB &rst iat= 187, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 880,881, &end # # 14 SER QB 56 SER H &rst iat= -1,876, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, &end # # 14 SER QB 56 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, igr2= 880,881, &end # # 14 SER H 57 LYS H &rst iat= 187,887, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER H 57 LYS HA &rst iat= 187,889, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 SER H 57 LYS QB &rst iat= 187, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 891,892, &end # # 14 SER H 57 LYS QG &rst iat= 187, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 14 SER QB 57 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 191,192, igr2= 894,895, &end # # 14 SER H 58 GLY H &rst iat= 187,909, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL H 15 VAL HB &rst iat= 198,202, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL H 15 VAL QG &rst iat= 198, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 204,205,206,208,209,210, &end # # 15 VAL HA 15 VAL QG &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 204,205,206,208,209,210, &end # # 15 VAL H 16 LEU H &rst iat= 198,214, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL H 16 LEU HA &rst iat= 198,216, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL H 16 LEU HG &rst iat= 198,221, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL H 16 LEU QD &rst iat= 198, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225,227,228,229, &end # # 15 VAL HA 16 LEU HA &rst iat= 200,216, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 16 LEU HG &rst iat= 200,221, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 16 LEU QD &rst iat= 200, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225,227,228,229, &end # # 15 VAL HB 16 LEU H &rst iat= 202,214, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL QG 16 LEU H &rst iat= -1,214, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 16 LEU HA &rst iat= -1,216, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 16 LEU HG &rst iat= -1,221, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 16 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.20125, r4= 9.1125, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, igr2= 223,224,225,227,228,229, &end # # 15 VAL HA 17 CYS H &rst iat= 200,233, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HB 17 CYS H &rst iat= 202,233, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL QG 17 CYS H &rst iat= -1,233, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 17 CYS HA &rst iat= -1,235, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 18 VAL H &rst iat= -1,244, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 18 VAL HA &rst iat= -1,246, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL HB 53 ARG HE &rst iat= 202,832, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL QG 53 ARG HA &rst iat= -1,821, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 53 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, igr2= 826,827, &end # # 15 VAL QG 53 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, igr2= 829,830, &end # # 15 VAL QG 53 ARG HE &rst iat= -1,832, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL HA 54 ILE H &rst iat= 200,843, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 54 ILE QG2 &rst iat= 200, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 15 VAL QG 54 ILE H &rst iat= -1,843, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 54 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.586, r4= 9.396, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, igr2= 849,850,851, &end # # 15 VAL H 55 THR HA &rst iat= 198,864, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL H 55 THR HB &rst iat= 198,866, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 55 THR H &rst iat= 200,862, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 55 THR HA &rst iat= 200,864, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 55 THR HB &rst iat= 200,866, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 55 THR QG2 &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 15 VAL HB 55 THR HA &rst iat= 202,864, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HB 55 THR QG2 &rst iat= 202, -1, r1= 0, r2= 0, r3= 7.08, r4= 7.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 15 VAL QG 55 THR HA &rst iat= -1,864, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL QG 55 THR HB &rst iat= -1,866, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 15 VAL H 56 SER H &rst iat= 198,876, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL HA 56 SER H &rst iat= 200,876, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 VAL QG 56 SER H &rst iat= -1,876, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 204,205,206,208,209,210, &end # # 16 LEU H 16 LEU HG &rst iat= 214,221, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU H 16 LEU QD &rst iat= 214, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225,227,228,229, &end # # 16 LEU HA 16 LEU QD &rst iat= 216, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225,227,228,229, &end # # 16 LEU QB 16 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 218,219, igr2= 223,224,225,227,228,229, &end # # 16 LEU H 17 CYS H &rst iat= 214,233, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU H 17 CYS HA &rst iat= 214,235, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU H 17 CYS QB &rst iat= 214, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 237,238, &end # # 16 LEU QB 17 CYS H &rst iat= -1,233, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 218,219, &end # # 16 LEU HG 17 CYS H &rst iat= 221,233, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU QD 17 CYS H &rst iat= -1,233, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 17 CYS HA &rst iat= -1,235, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU H 53 ARG HA &rst iat= 214,821, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU H 53 ARG QD &rst iat= 214, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 16 LEU H 54 ILE H &rst iat= 214,843, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU H 54 ILE HB &rst iat= 214,847, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU H 54 ILE QG2 &rst iat= 214, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 16 LEU HA 54 ILE QG2 &rst iat= 216, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 16 LEU QB 54 ILE H &rst iat= -1,843, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 218,219, &end # # 16 LEU QB 54 ILE HB &rst iat= -1,847, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 218,219, &end # # 16 LEU QB 54 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 218,219, igr2= 849,850,851, &end # # 16 LEU QB 54 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 218,219, igr2= 856,857,858, &end # # 16 LEU HG 54 ILE QG2 &rst iat= 221, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 16 LEU QD 54 ILE HA &rst iat= -1,845, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 54 ILE HB &rst iat= -1,847, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 54 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 849,850,851, &end # # 16 LEU QD 54 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 856,857,858, &end # # 16 LEU H 55 THR HA &rst iat= 214,864, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU H 55 THR QG2 &rst iat= 214, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 16 LEU HG 55 THR HA &rst iat= 221,864, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU HG 55 THR QG2 &rst iat= 221, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 16 LEU QD 55 THR H &rst iat= -1,862, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 55 THR HA &rst iat= -1,864, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU H 56 SER H &rst iat= 214,876, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU HG 56 SER H &rst iat= 221,876, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU HG 56 SER HA &rst iat= 221,878, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 LEU HG 56 SER QB &rst iat= 221, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 880,881, &end # # 16 LEU QD 56 SER H &rst iat= -1,876, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 56 SER HA &rst iat= -1,878, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 56 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 880,881, &end # # 16 LEU QD 57 LYS H &rst iat= -1,887, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 61 ALA HA &rst iat= -1,954, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 61 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 956,957,958, &end # # 16 LEU QD 62 TYR H &rst iat= -1,962, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 63 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.72, r4= 10.53, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 996,997,998, &end # # 16 LEU QB 127 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 218,219, igr2= 1961,1962, &end # # 16 LEU QD 127 SER HA &rst iat= -1,1959, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 127 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 1961,1962, &end # # 16 LEU QD 128 LEU HA &rst iat= -1,1970, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.56575, r4= 9.477, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 1977,1978,1979,1981,1982,1983, &end # # 16 LEU QD 130 ASP H &rst iat= -1,2004, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 131 HIS H &rst iat= -1,2016, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 131 HIS HA &rst iat= -1,2018, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 131 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, igr2= 2020,2021, &end # # 16 LEU QD 131 HIS HE1 &rst iat= -1,2025, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 16 LEU QD 132 PHE H &rst iat= -1,2033, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225,227,228,229, &end # # 17 CYS H 18 VAL H &rst iat= 233,244, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS H 18 VAL HA &rst iat= 233,246, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS H 18 VAL HB &rst iat= 233,248, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS HA 18 VAL H &rst iat= 235,244, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS HA 18 VAL HA &rst iat= 235,246, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS HA 18 VAL HB &rst iat= 235,248, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS HA 18 VAL QG &rst iat= 235, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 250,251,252,254,255,256, &end # # 17 CYS QB 18 VAL H &rst iat= -1,244, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, &end # # 17 CYS QB 18 VAL HA &rst iat= -1,246, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, &end # # 17 CYS QB 18 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, igr2= 250,251,252,254,255,256, &end # # 17 CYS HA 19 LYS H &rst iat= 235,260, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS QB 19 LYS H &rst iat= -1,260, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, &end # # 17 CYS QB 19 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, igr2= 273,274, &end # # 17 CYS H 52 LEU QD &rst iat= 233, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810,811,813,814,815, &end # # 17 CYS QB 52 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, igr2= 809,810,811,813,814,815, &end # # 17 CYS H 53 ARG QD &rst iat= 233, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 17 CYS H 54 ILE H &rst iat= 233,843, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS H 54 ILE HA &rst iat= 233,845, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS H 54 ILE HB &rst iat= 233,847, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS H 54 ILE QG2 &rst iat= 233, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 17 CYS H 54 ILE QD1 &rst iat= 233, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 17 CYS HA 54 ILE H &rst iat= 235,843, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS HA 54 ILE QG2 &rst iat= 235, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 17 CYS HA 54 ILE QD1 &rst iat= 235, -1, r1= 0, r2= 0, r3= 7.08, r4= 7.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 17 CYS QB 54 ILE H &rst iat= -1,843, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, &end # # 17 CYS QB 54 ILE HB &rst iat= -1,847, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, &end # # 17 CYS QB 54 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, igr2= 853,854, &end # # 17 CYS QB 54 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, igr2= 849,850,851, &end # # 17 CYS QB 54 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, igr2= 856,857,858, &end # # 17 CYS H 55 THR HA &rst iat= 233,864, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 CYS H 55 THR QG2 &rst iat= 233, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 17 CYS H 127 SER QB &rst iat= 233, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1961,1962, &end # # 17 CYS HA 127 SER QB &rst iat= 235, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1961,1962, &end # # 17 CYS QB 127 SER H &rst iat= -1,1957, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, &end # # 17 CYS QB 127 SER HA &rst iat= -1,1959, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, &end # # 17 CYS QB 127 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 237,238, igr2= 1961,1962, &end # # 18 VAL H 18 VAL HB &rst iat= 244,248, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL H 18 VAL QG &rst iat= 244, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 250,251,252,254,255,256, &end # # 18 VAL HA 18 VAL QG &rst iat= 246, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 250,251,252,254,255,256, &end # # 18 VAL H 19 LYS H &rst iat= 244,260, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL H 19 LYS HA &rst iat= 244,262, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL H 19 LYS QD &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 270,271, &end # # 18 VAL HA 19 LYS H &rst iat= 246,260, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL QG 19 LYS H &rst iat= -1,260, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 18 VAL QG 19 LYS HA &rst iat= -1,262, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 18 VAL QG 19 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 267,268, &end # # 18 VAL QG 19 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 273,274, &end # # 18 VAL QG 20 PRO HA &rst iat= -1,292, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 18 VAL QG 20 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 283,284, &end # # 18 VAL QG 51 ARG HA &rst iat= -1,778, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 18 VAL QG 51 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.9208, r4= 9.6768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 780,781, &end # # 18 VAL QG 51 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 783,784, &end # # 18 VAL HA 52 LEU HG &rst iat= 246,807, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL HA 52 LEU QD &rst iat= 246, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810,811,813,814,815, &end # # 18 VAL QG 52 LEU H &rst iat= -1,800, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 18 VAL H 53 ARG HA &rst iat= 244,821, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL H 53 ARG QD &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 18 VAL HA 53 ARG HA &rst iat= 246,821, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL HA 53 ARG QB &rst iat= 246, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 823,824, &end # # 18 VAL HA 53 ARG QG &rst iat= 246, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 826,827, &end # # 18 VAL HA 53 ARG QD &rst iat= 246, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 18 VAL HB 53 ARG HA &rst iat= 248,821, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL HB 53 ARG QB &rst iat= 248, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 823,824, &end # # 18 VAL HB 53 ARG QG &rst iat= 248, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 826,827, &end # # 18 VAL HB 53 ARG QD &rst iat= 248, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 18 VAL HB 53 ARG HE &rst iat= 248,832, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL QG 53 ARG HA &rst iat= -1,821, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 18 VAL QG 53 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 823,824, &end # # 18 VAL QG 53 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 826,827, &end # # 18 VAL QG 53 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, igr2= 829,830, &end # # 18 VAL QG 53 ARG HE &rst iat= -1,832, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 18 VAL H 54 ILE H &rst iat= 244,843, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL H 54 ILE HB &rst iat= 244,847, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL H 54 ILE QG1 &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 853,854, &end # # 18 VAL H 54 ILE QD1 &rst iat= 244, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 18 VAL HA 54 ILE H &rst iat= 246,843, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL HB 54 ILE H &rst iat= 248,843, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 VAL QG 54 ILE H &rst iat= -1,843, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 250,251,252,254,255,256, &end # # 19 LYS H 19 LYS QG &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 267,268, &end # # 19 LYS HA 19 LYS QD &rst iat= 262, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 270,271, &end # # 19 LYS QB 19 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, igr2= 270,271, &end # # 19 LYS H 20 PRO HA &rst iat= 260,292, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS H 20 PRO QD &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 283,284, &end # # 19 LYS HA 20 PRO QG &rst iat= 262, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 286,287, &end # # 19 LYS QB 20 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, igr2= 283,284, &end # # 19 LYS QG 20 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 267,268, igr2= 283,284, &end # # 19 LYS QD 20 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 270,271, igr2= 286,287, &end # # 19 LYS QE 20 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 273,274, igr2= 286,287, &end # # 19 LYS QE 20 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 273,274, igr2= 283,284, &end # # 19 LYS HA 21 ASP H &rst iat= 262,296, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS QB 21 ASP H &rst iat= -1,296, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, &end # # 19 LYS H 22 VAL QG &rst iat= 260, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 314,315,316,318,319,320, &end # # 19 LYS QB 22 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, igr2= 314,315,316,318,319,320, &end # # 19 LYS H 52 LEU H &rst iat= 260,800, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS H 52 LEU HG &rst iat= 260,807, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS H 52 LEU QD &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810,811,813,814,815, &end # # 19 LYS QB 52 LEU H &rst iat= -1,800, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, &end # # 19 LYS QG 52 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 267,268, igr2= 804,805, &end # # 19 LYS QG 52 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 267,268, igr2= 809,810,811,813,814,815, &end # # 19 LYS H 53 ARG H &rst iat= 260,819, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS H 53 ARG HA &rst iat= 260,821, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS H 53 ARG QD &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 19 LYS H 54 ILE H &rst iat= 260,843, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS H 54 ILE QD1 &rst iat= 260, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 19 LYS H 115 PHE QE &rst iat= 260, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1786,1790, &end # # 19 LYS QB 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, igr2= 1786,1790, &end # # 19 LYS QB 115 PHE HZ &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, &end # # 19 LYS QG 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 267,268, igr2= 1786,1790, &end # # 19 LYS QG 115 PHE HZ &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 267,268, &end # # 19 LYS QB 121 ALA HA &rst iat= -1,1867, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, &end # # 19 LYS QG 121 ALA HA &rst iat= -1,1867, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 267,268, &end # # 19 LYS QD 121 ALA H &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 270,271, &end # # 19 LYS QB 123 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 264,265, igr2= 1899,1900, &end # # 19 LYS QD 123 ASP H &rst iat= -1,1895, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 270,271, &end # # 19 LYS QD 123 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 270,271, igr2= 1899,1900, &end # # 19 LYS QE 123 ASP H &rst iat= -1,1895, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 273,274, &end # # 19 LYS QE 123 ASP HA &rst iat= -1,1897, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 273,274, &end # # 19 LYS QE 123 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 273,274, igr2= 1899,1900, &end # # 20 PRO QB 21 ASP H &rst iat= -1,296, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 289,290, &end # # 20 PRO QB 21 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 289,290, igr2= 300,301, &end # # 20 PRO QG 21 ASP H &rst iat= -1,296, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 286,287, &end # # 20 PRO QG 21 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 286,287, igr2= 300,301, &end # # 20 PRO QD 21 ASP H &rst iat= -1,296, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 283,284, &end # # 20 PRO HA 51 ARG HA &rst iat= 292,778, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 PRO HA 51 ARG QB &rst iat= 292, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 780,781, &end # # 20 PRO HA 51 ARG QD &rst iat= 292, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787, &end # # 20 PRO HA 52 LEU H &rst iat= 292,800, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 PRO QD 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 283,284, igr2= 1786,1790, &end # # 21 ASP H 21 ASP QB &rst iat= 296, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 300,301, &end # # 21 ASP H 22 VAL H &rst iat= 296,308, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ASP H 22 VAL HB &rst iat= 296,312, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ASP H 22 VAL QG &rst iat= 296, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 314,315,316,318,319,320, &end # # 21 ASP HA 22 VAL H &rst iat= 298,308, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ASP HA 22 VAL HA &rst iat= 298,310, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ASP HA 22 VAL HB &rst iat= 298,312, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ASP HA 22 VAL QG &rst iat= 298, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 314,315,316,318,319,320, &end # # 21 ASP QB 22 VAL H &rst iat= -1,308, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 300,301, &end # # 21 ASP QB 22 VAL HA &rst iat= -1,310, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 300,301, &end # # 21 ASP HA 50 GLY H &rst iat= 298,769, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ASP QB 50 GLY H &rst iat= -1,769, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 300,301, &end # # 21 ASP H 52 LEU H &rst iat= 296,800, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ASP HA 68 LYS QE &rst iat= 298, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1083,1084, &end # # 21 ASP QB 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 300,301, igr2= 1083,1084, &end # # 21 ASP QB 116 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 300,301, igr2= 1802,1803,1804, &end # # 22 VAL H 22 VAL HB &rst iat= 308,312, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL H 22 VAL QG &rst iat= 308, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 314,315,316,318,319,320, &end # # 22 VAL HA 22 VAL QG &rst iat= 310, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 314,315,316,318,319,320, &end # # 22 VAL H 23 SER H &rst iat= 308,324, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL HA 23 SER H &rst iat= 310,324, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL HA 23 SER QB &rst iat= 310, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 328,329, &end # # 22 VAL HB 23 SER H &rst iat= 312,324, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL QG 23 SER H &rst iat= -1,324, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 23 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 328,329, &end # # 22 VAL QG 24 VAL H &rst iat= -1,335, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 24 VAL HA &rst iat= -1,337, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 24 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.65925, r4= 10.5705, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 341,342,343,345,346,347, &end # # 22 VAL H 48 TRP HZ3 &rst iat= 308,748, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL HB 48 TRP HZ3 &rst iat= 312,748, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL QG 48 TRP HE3 &rst iat= -1,750, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 48 TRP HZ3 &rst iat= -1,748, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 48 TRP HH2 &rst iat= -1,746, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL H 49 THR HA &rst iat= 308,757, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL H 49 THR HB &rst iat= 308,759, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL H 49 THR QG2 &rst iat= 308, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 22 VAL QG 49 THR HA &rst iat= -1,757, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 49 THR HB &rst iat= -1,759, r1= 0, r2= 0, r3= 7.695, r4= 8.37, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL H 50 GLY H &rst iat= 308,769, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL H 50 GLY QA &rst iat= 308, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772, &end # # 22 VAL HA 50 GLY H &rst iat= 310,769, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL HB 50 GLY H &rst iat= 312,769, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL QG 50 GLY H &rst iat= -1,769, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL H 51 ARG H &rst iat= 308,776, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL QG 51 ARG H &rst iat= -1,776, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 51 ARG HA &rst iat= -1,778, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 51 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 780,781, &end # # 22 VAL HA 52 LEU QD &rst iat= 310, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810,811,813,814,815, &end # # 22 VAL HB 52 LEU QB &rst iat= 312, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 804,805, &end # # 22 VAL HB 52 LEU QD &rst iat= 312, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810,811,813,814,815, &end # # 22 VAL QG 52 LEU H &rst iat= -1,800, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 52 LEU HA &rst iat= -1,802, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 52 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 804,805, &end # # 22 VAL QG 52 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.20125, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 809,810,811,813,814,815, &end # # 22 VAL QG 53 ARG H &rst iat= -1,819, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL H 65 LEU QD &rst iat= 308, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 22 VAL HA 65 LEU QD &rst iat= 310, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 22 VAL HB 65 LEU QD &rst iat= 312, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 22 VAL QG 65 LEU HA &rst iat= -1,1026, r1= 0, r2= 0, r3= 7.56, r4= 8.235, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 65 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1028,1029, &end # # 22 VAL QG 65 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.74325, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1033,1034,1035,1037,1038,1039, &end # # 22 VAL QG 66 GLU H &rst iat= -1,1043, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL H 68 LYS QE &rst iat= 308, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1083,1084, &end # # 22 VAL QG 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1083,1084, &end # # 22 VAL HA 113 ILE QG2 &rst iat= 310, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 22 VAL QG 113 ILE HA &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 113 ILE HB &rst iat= -1,1754, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.128, r4= 7.938, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1756,1757,1758, &end # # 22 VAL QG 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.128, r4= 7.938, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1763,1764,1765, &end # # 22 VAL QG 114 GLY H &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 114 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1771,1772, &end # # 22 VAL HA 115 PHE H &rst iat= 310,1776, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL HA 115 PHE HA &rst iat= 310,1778, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL HA 115 PHE QB &rst iat= 310, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1780,1781, &end # # 22 VAL HA 115 PHE QD &rst iat= 310, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1784,1792, &end # # 22 VAL HB 115 PHE HA &rst iat= 312,1778, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL HB 115 PHE QD &rst iat= 312, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1784,1792, &end # # 22 VAL QG 115 PHE H &rst iat= -1,1776, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 115 PHE HA &rst iat= -1,1778, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL QG 115 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1780,1781, &end # # 22 VAL QG 115 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1784,1792, &end # # 22 VAL QG 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1786,1790, &end # # 22 VAL QG 115 PHE HZ &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, &end # # 22 VAL HA 116 THR H &rst iat= 310,1796, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 VAL QG 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1915,1923, &end # # 22 VAL QG 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 314,315,316,318,319,320, igr2= 1917,1921, &end # # 23 SER H 24 VAL H &rst iat= 324,335, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER H 24 VAL QG &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 341,342,343,345,346,347, &end # # 23 SER QB 24 VAL H &rst iat= -1,335, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, &end # # 23 SER HA 46 PRO QB &rst iat= 326, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 712,713, &end # # 23 SER QB 46 PRO HA &rst iat= -1,715, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, &end # # 23 SER QB 46 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, igr2= 712,713, &end # # 23 SER QB 46 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, igr2= 709,710, &end # # 23 SER QB 47 ASP H &rst iat= -1,719, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, &end # # 23 SER HA 48 TRP H &rst iat= 326,731, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER HA 48 TRP HE3 &rst iat= 326,750, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER QB 48 TRP H &rst iat= -1,731, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, &end # # 23 SER H 49 THR HA &rst iat= 324,757, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER H 49 THR QG2 &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 23 SER HA 49 THR H &rst iat= 326,755, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER HA 49 THR HA &rst iat= 326,757, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER HA 49 THR HB &rst iat= 326,759, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER HA 49 THR QG2 &rst iat= 326, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 23 SER QB 49 THR HA &rst iat= -1,757, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, &end # # 23 SER QB 49 THR HB &rst iat= -1,759, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, &end # # 23 SER QB 49 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, igr2= 761,762,763, &end # # 23 SER HA 50 GLY H &rst iat= 326,769, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER H 113 ILE QG2 &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 23 SER H 113 ILE QD1 &rst iat= 324, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 23 SER H 114 GLY H &rst iat= 324,1769, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER QB 114 GLY H &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329, &end # # 23 SER H 115 PHE H &rst iat= 324,1776, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER H 115 PHE QD &rst iat= 324, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1784,1792, &end # # 23 SER H 116 THR H &rst iat= 324,1796, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 SER H 116 THR HB &rst iat= 324,1800, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 24 VAL HB &rst iat= 335,339, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 24 VAL QG &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 341,342,343,345,346,347, &end # # 24 VAL HA 24 VAL QG &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 341,342,343,345,346,347, &end # # 24 VAL H 25 TYR H &rst iat= 335,351, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL HB 25 TYR H &rst iat= 339,351, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL QG 25 TYR H &rst iat= -1,351, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 25 TYR HA &rst iat= -1,353, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 25 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 355,356, &end # # 24 VAL QG 25 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 361,366, &end # # 24 VAL QG 26 ARG H &rst iat= -1,372, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 26 ARG HA &rst iat= -1,374, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 27 ILE H &rst iat= -1,396, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL H 46 PRO HA &rst iat= 335,715, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 46 PRO QB &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 712,713, &end # # 24 VAL HB 47 ASP QB &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724, &end # # 24 VAL QG 47 ASP H &rst iat= -1,719, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 47 ASP HA &rst iat= -1,721, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 47 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 723,724, &end # # 24 VAL H 48 TRP H &rst iat= 335,731, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 48 TRP HA &rst iat= 335,733, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 48 TRP QB &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 735,736, &end # # 24 VAL H 48 TRP HE3 &rst iat= 335,750, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 48 TRP HZ3 &rst iat= 335,748, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL HB 48 TRP H &rst iat= 339,731, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL HB 48 TRP QB &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 735,736, &end # # 24 VAL HB 48 TRP HE3 &rst iat= 339,750, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL HB 48 TRP HZ3 &rst iat= 339,748, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL QG 48 TRP H &rst iat= -1,731, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 48 TRP HA &rst iat= -1,733, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 48 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 735,736, &end # # 24 VAL QG 48 TRP HE3 &rst iat= -1,750, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 48 TRP HZ3 &rst iat= -1,748, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 48 TRP HH2 &rst iat= -1,746, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL H 49 THR HA &rst iat= 335,757, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 49 THR HB &rst iat= 335,759, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL H 49 THR QG2 &rst iat= 335, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 24 VAL QG 49 THR HA &rst iat= -1,757, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL H 50 GLY H &rst iat= 335,769, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL HA 65 LEU QD &rst iat= 337, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 24 VAL HB 65 LEU QD &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 24 VAL QG 65 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1028,1029, &end # # 24 VAL QG 65 LEU HG &rst iat= -1,1031, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 65 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1033,1034,1035,1037,1038,1039, &end # # 24 VAL HA 74 PHE QE &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 24 VAL HB 74 PHE QE &rst iat= 339, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 24 VAL QG 74 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1168,1176, &end # # 24 VAL QG 74 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1170,1174, &end # # 24 VAL QG 74 PHE HZ &rst iat= -1,1172, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL HA 111 ILE QG2 &rst iat= 337, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 24 VAL HA 111 ILE QD1 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 24 VAL HB 111 ILE QD1 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 24 VAL QG 111 ILE HB &rst iat= -1,1728, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1734,1735, &end # # 24 VAL QG 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.156, r4= 6.966, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1730,1731,1732, &end # # 24 VAL QG 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1737,1738,1739, &end # # 24 VAL QG 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL H 113 ILE QG2 &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 24 VAL HA 113 ILE HA &rst iat= 337,1752, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL HA 113 ILE HB &rst iat= 337,1754, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL HA 113 ILE QG1 &rst iat= 337, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1760,1761, &end # # 24 VAL HA 113 ILE QG2 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 24 VAL HB 113 ILE QG2 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 24 VAL HB 113 ILE QD1 &rst iat= 339, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 24 VAL QG 113 ILE HA &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 24 VAL QG 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1760,1761, &end # # 24 VAL QG 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1756,1757,1758, &end # # 24 VAL QG 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, igr2= 1763,1764,1765, &end # # 24 VAL H 114 GLY H &rst iat= 335,1769, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 VAL QG 114 GLY H &rst iat= -1,1769, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 341,342,343,345,346,347, &end # # 25 TYR HA 25 TYR QD &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 359,368, &end # # 25 TYR H 26 ARG H &rst iat= 351,372, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR HA 26 ARG H &rst iat= 353,372, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR HA 26 ARG HA &rst iat= 353,374, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR HA 26 ARG QB &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 376,377, &end # # 25 TYR HA 26 ARG QG &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 379,380, &end # # 25 TYR QB 26 ARG H &rst iat= -1,372, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, &end # # 25 TYR H 27 ILE QG2 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 402,403,404, &end # # 25 TYR HA 27 ILE QG2 &rst iat= 353, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 402,403,404, &end # # 25 TYR QB 27 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, igr2= 402,403,404, &end # # 25 TYR QD 27 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,368, igr2= 402,403,404, &end # # 25 TYR HA 42 LYS QB &rst iat= 353, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 639,640, &end # # 25 TYR QB 42 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, igr2= 639,640, &end # # 25 TYR QD 42 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,368, igr2= 645,646, &end # # 25 TYR QE 44 ASP H &rst iat= -1,676, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, &end # # 25 TYR QE 44 ASP HA &rst iat= -1,678, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, &end # # 25 TYR QD 45 GLN H &rst iat= -1,688, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,368, &end # # 25 TYR QE 45 GLN H &rst iat= -1,688, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, &end # # 25 TYR QE 45 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, igr2= 692,693, &end # # 25 TYR HA 46 PRO HA &rst iat= 353,715, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR HA 46 PRO QB &rst iat= 353, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 712,713, &end # # 25 TYR QB 46 PRO HA &rst iat= -1,715, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, &end # # 25 TYR QD 46 PRO HA &rst iat= -1,715, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,368, &end # # 25 TYR QD 46 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,368, igr2= 706,707, &end # # 25 TYR QE 46 PRO HA &rst iat= -1,715, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, &end # # 25 TYR QE 46 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, igr2= 709,710, &end # # 25 TYR HA 47 ASP H &rst iat= 353,719, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR HA 47 ASP QB &rst iat= 353, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724, &end # # 25 TYR QB 47 ASP H &rst iat= -1,719, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 355,356, &end # # 25 TYR QE 47 ASP H &rst iat= -1,719, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, &end # # 25 TYR H 111 ILE QG2 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 25 TYR H 111 ILE QD1 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 25 TYR H 112 GLY H &rst iat= 351,1743, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR H 112 GLY QA &rst iat= 351, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 25 TYR H 113 ILE H &rst iat= 351,1750, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR H 113 ILE HA &rst iat= 351,1752, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR H 113 ILE HB &rst iat= 351,1754, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR H 113 ILE QG1 &rst iat= 351, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1760,1761, &end # # 25 TYR H 113 ILE QG2 &rst iat= 351, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 25 TYR QE 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 361,366, igr2= 1756,1757,1758, &end # # 25 TYR H 114 GLY H &rst iat= 351,1769, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 TYR QD 114 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,368, igr2= 1771,1772, &end # # 26 ARG H 26 ARG QB &rst iat= 372, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 376,377, &end # # 26 ARG H 26 ARG QG &rst iat= 372, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 379,380, &end # # 26 ARG HA 26 ARG QG &rst iat= 374, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 379,380, &end # # 26 ARG H 27 ILE H &rst iat= 372,396, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG H 27 ILE QG2 &rst iat= 372, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 402,403,404, &end # # 26 ARG HA 27 ILE H &rst iat= 374,396, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG HA 27 ILE QG1 &rst iat= 374, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 406,407, &end # # 26 ARG HA 27 ILE QG2 &rst iat= 374, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 402,403,404, &end # # 26 ARG HA 27 ILE QD1 &rst iat= 374, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 409,410,411, &end # # 26 ARG QB 27 ILE H &rst iat= -1,396, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 376,377, &end # # 26 ARG QG 27 ILE H &rst iat= -1,396, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 379,380, &end # # 26 ARG QG 27 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 379,380, igr2= 402,403,404, &end # # 26 ARG H 42 LYS QB &rst iat= 372, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 639,640, &end # # 26 ARG H 46 PRO HA &rst iat= 372,715, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG H 47 ASP H &rst iat= 372,719, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG H 47 ASP QB &rst iat= 372, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724, &end # # 26 ARG QG 47 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 379,380, igr2= 723,724, &end # # 26 ARG H 48 TRP H &rst iat= 372,731, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG H 111 ILE HA &rst iat= 372,1726, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG H 111 ILE HB &rst iat= 372,1728, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG H 111 ILE QG2 &rst iat= 372, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 26 ARG H 111 ILE QD1 &rst iat= 372, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 26 ARG HA 111 ILE H &rst iat= 374,1724, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG HA 111 ILE HA &rst iat= 374,1726, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG HA 111 ILE HB &rst iat= 374,1728, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG HA 111 ILE QG1 &rst iat= 374, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1734,1735, &end # # 26 ARG HA 111 ILE QG2 &rst iat= 374, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 26 ARG HA 111 ILE QD1 &rst iat= 374, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 26 ARG QG 111 ILE HA &rst iat= -1,1726, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 379,380, &end # # 26 ARG QG 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 379,380, igr2= 1730,1731,1732, &end # # 26 ARG QG 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 379,380, igr2= 1737,1738,1739, &end # # 26 ARG HA 112 GLY H &rst iat= 374,1743, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 ARG QG 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 379,380, &end # # 27 ILE H 27 ILE HB &rst iat= 396,400, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 ILE H 27 ILE QG1 &rst iat= 396, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 406,407, &end # # 27 ILE H 27 ILE QG2 &rst iat= 396, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 402,403,404, &end # # 27 ILE H 27 ILE QD1 &rst iat= 396, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 409,410,411, &end # # 27 ILE HA 27 ILE QD1 &rst iat= 398, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 409,410,411, &end # # 27 ILE HB 27 ILE QD1 &rst iat= 400, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 409,410,411, &end # # 27 ILE QG2 27 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 406,407, &end # # 27 ILE QG2 27 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 409,410,411, &end # # 27 ILE H 28 PRO QD &rst iat= 396, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 27 ILE HA 28 PRO QG &rst iat= 398, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 419,420, &end # # 27 ILE HA 28 PRO QD &rst iat= 398, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 27 ILE HB 28 PRO QG &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 419,420, &end # # 27 ILE HB 28 PRO QD &rst iat= 400, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 27 ILE QG2 28 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 419,420, &end # # 27 ILE QG1 28 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, igr2= 416,417, &end # # 27 ILE QG2 28 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 416,417, &end # # 27 ILE QD1 28 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 416,417, &end # # 27 ILE H 29 PRO QD &rst iat= 396, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 430,431, &end # # 27 ILE HA 29 PRO QG &rst iat= 398, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 433,434, &end # # 27 ILE HA 29 PRO QD &rst iat= 398, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 430,431, &end # # 27 ILE HB 29 PRO QD &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 430,431, &end # # 27 ILE QG1 29 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, igr2= 430,431, &end # # 27 ILE QG2 29 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 430,431, &end # # 27 ILE QD1 29 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 430,431, &end # # 27 ILE QD1 30 ARG H &rst iat= -1,443, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE HB 36 TYR QD &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,550, &end # # 27 ILE QG2 36 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 541,550, &end # # 27 ILE QG2 36 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 543,548, &end # # 27 ILE QD1 36 TYR HA &rst iat= -1,535, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 36 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 537,538, &end # # 27 ILE QD1 36 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 541,550, &end # # 27 ILE QD1 36 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 543,548, &end # # 27 ILE QG2 40 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 603,604, &end # # 27 ILE HB 41 TRP QB &rst iat= 400, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 615,616, &end # # 27 ILE HB 41 TRP HD1 &rst iat= 400,619, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 ILE HB 41 TRP HE1 &rst iat= 400,621, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 ILE QG2 41 TRP H &rst iat= -1,611, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 41 TRP HA &rst iat= -1,613, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 41 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 615,616, &end # # 27 ILE QG1 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, &end # # 27 ILE QG2 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG1 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, &end # # 27 ILE QG2 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 41 TRP HZ2 &rst iat= -1,624, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 41 TRP HZ3 &rst iat= -1,628, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 41 TRP HH2 &rst iat= -1,626, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QD1 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 41 TRP HE3 &rst iat= -1,630, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 41 TRP HZ2 &rst iat= -1,624, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 41 TRP HZ3 &rst iat= -1,628, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 41 TRP HH2 &rst iat= -1,626, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QG2 42 LYS H &rst iat= -1,635, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG1 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, igr2= 1530,1531,1532,1534,1535,1536, &end # # 27 ILE QG2 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 1530,1531,1532,1534,1535,1536, &end # # 27 ILE QD1 98 VAL HA &rst iat= -1,1526, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 98 VAL HB &rst iat= -1,1528, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 1530,1531,1532,1534,1535,1536, &end # # 27 ILE QD1 99 ILE H &rst iat= -1,1540, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QG1 110 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, igr2= 1708,1709, &end # # 27 ILE QG2 110 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 1708,1709, &end # # 27 ILE QD1 110 PHE H &rst iat= -1,1704, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 110 PHE HA &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 110 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 1708,1709, &end # # 27 ILE QD1 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 1712,1720, &end # # 27 ILE H 111 ILE HA &rst iat= 396,1726, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 ILE H 111 ILE HB &rst iat= 396,1728, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 ILE H 111 ILE QG1 &rst iat= 396, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1734,1735, &end # # 27 ILE H 111 ILE QG2 &rst iat= 396, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 27 ILE QG1 111 ILE HA &rst iat= -1,1726, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, &end # # 27 ILE QG2 111 ILE HA &rst iat= -1,1726, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 111 ILE HB &rst iat= -1,1728, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.632, r4= 8.352, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 1730,1731,1732, &end # # 27 ILE QG2 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.64, r4= 9.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 1737,1738,1739, &end # # 27 ILE QD1 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 111 ILE HA &rst iat= -1,1726, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 111 ILE HB &rst iat= -1,1728, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 1734,1735, &end # # 27 ILE QD1 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.488, r4= 8.208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 1730,1731,1732, &end # # 27 ILE H 112 GLY H &rst iat= 396,1743, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 ILE HB 112 GLY H &rst iat= 400,1743, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 ILE QG1 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 406,407, &end # # 27 ILE QG2 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 27 ILE QG2 112 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, igr2= 1745,1746, &end # # 27 ILE QD1 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, &end # # 27 ILE QD1 112 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 409,410,411, igr2= 1745,1746, &end # # 27 ILE QG2 113 ILE H &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404, &end # # 28 PRO HA 29 PRO QG &rst iat= 425, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 433,434, &end # # 28 PRO HA 29 PRO QD &rst iat= 425, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 430,431, &end # # 28 PRO QB 29 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 422,423, igr2= 430,431, &end # # 28 PRO QG 29 PRO HA &rst iat= -1,439, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 419,420, &end # # 28 PRO QG 29 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 419,420, igr2= 436,437, &end # # 28 PRO QG 29 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 419,420, igr2= 430,431, &end # # 28 PRO QD 29 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, igr2= 436,437, &end # # 28 PRO QD 29 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, igr2= 433,434, &end # # 28 PRO QD 29 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, igr2= 430,431, &end # # 28 PRO QD 41 TRP HA &rst iat= -1,613, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, &end # # 28 PRO QD 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, &end # # 29 PRO HA 30 ARG H &rst iat= 439,443, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 PRO HA 30 ARG HA &rst iat= 439,445, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 PRO HA 30 ARG QB &rst iat= 439, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 447,448, &end # # 29 PRO QB 30 ARG H &rst iat= -1,443, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 436,437, &end # # 29 PRO QG 30 ARG H &rst iat= -1,443, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 433,434, &end # # 29 PRO QD 30 ARG H &rst iat= -1,443, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 430,431, &end # # 29 PRO QG 31 ALA H &rst iat= -1,467, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 433,434, &end # # 29 PRO QG 41 TRP HA &rst iat= -1,613, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 433,434, &end # # 29 PRO QG 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 433,434, &end # # 29 PRO QD 41 TRP HA &rst iat= -1,613, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 430,431, &end # # 29 PRO QD 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 430,431, &end # # 30 ARG H 30 ARG QB &rst iat= 443, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 447,448, &end # # 30 ARG H 30 ARG QG &rst iat= 443, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 450,451, &end # # 30 ARG H 30 ARG QD &rst iat= 443, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 453,454, &end # # 30 ARG HA 30 ARG QG &rst iat= 445, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 450,451, &end # # 30 ARG HA 30 ARG QD &rst iat= 445, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 453,454, &end # # 30 ARG QB 30 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 447,448, igr2= 453,454, &end # # 30 ARG H 31 ALA H &rst iat= 443,467, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ARG H 31 ALA QB &rst iat= 443, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 471,472,473, &end # # 30 ARG HA 31 ALA HA &rst iat= 445,469, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ARG HA 31 ALA QB &rst iat= 445, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 471,472,473, &end # # 30 ARG QB 31 ALA H &rst iat= -1,467, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 447,448, &end # # 30 ARG QB 31 ALA HA &rst iat= -1,469, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 447,448, &end # # 30 ARG QB 31 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 447,448, igr2= 471,472,473, &end # # 30 ARG QG 31 ALA H &rst iat= -1,467, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 450,451, &end # # 30 ARG QG 31 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 450,451, igr2= 471,472,473, &end # # 30 ARG QD 31 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 453,454, igr2= 471,472,473, &end # # 30 ARG H 32 SER QB &rst iat= 443, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 481,482, &end # # 30 ARG HA 32 SER H &rst iat= 445,477, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ARG QG 32 SER H &rst iat= -1,477, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 450,451, &end # # 30 ARG H 36 TYR QD &rst iat= 443, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,550, &end # # 30 ARG H 36 TYR QE &rst iat= 443, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 543,548, &end # # 30 ARG HA 36 TYR QD &rst iat= 445, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,550, &end # # 30 ARG HA 36 TYR QE &rst iat= 445, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 543,548, &end # # 30 ARG QB 36 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 447,448, igr2= 543,548, &end # # 30 ARG QG 36 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 450,451, igr2= 543,548, &end # # 30 ARG HA 110 PHE QB &rst iat= 445, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1708,1709, &end # # 30 ARG QB 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 447,448, igr2= 1712,1720, &end # # 30 ARG QB 110 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 447,448, igr2= 1714,1718, &end # # 31 ALA H 31 ALA QB &rst iat= 467, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 471,472,473, &end # # 31 ALA H 32 SER H &rst iat= 467,477, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 ALA H 32 SER QB &rst iat= 467, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 481,482, &end # # 31 ALA HA 32 SER HA &rst iat= 469,479, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 ALA QB 32 SER H &rst iat= -1,477, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, &end # # 31 ALA QB 32 SER HA &rst iat= -1,479, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, &end # # 31 ALA QB 32 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, igr2= 481,482, &end # # 31 ALA HA 33 ASN H &rst iat= 469,488, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 ALA QB 33 ASN H &rst iat= -1,488, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, &end # # 31 ALA QB 33 ASN HA &rst iat= -1,490, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, &end # # 31 ALA QB 35 GLY H &rst iat= -1,526, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, &end # # 31 ALA QB 35 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, igr2= 528,529, &end # # 31 ALA QB 36 TYR HA &rst iat= -1,535, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 471,472,473, &end # # 32 SER H 32 SER QB &rst iat= 477, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 481,482, &end # # 32 SER HA 32 SER QB &rst iat= 479, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 481,482, &end # # 32 SER H 33 ASN H &rst iat= 477,488, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER H 33 ASN HA &rst iat= 477,490, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER HA 33 ASN HA &rst iat= 479,490, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER HA 33 ASN QD &rst iat= 479, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 497,498, &end # # 32 SER QB 33 ASN H &rst iat= -1,488, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 481,482, &end # # 32 SER QB 33 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 481,482, igr2= 497,498, &end # # 32 SER QB 34 ARG H &rst iat= -1,502, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 481,482, &end # # 32 SER H 35 GLY H &rst iat= 477,526, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER H 36 TYR HA &rst iat= 477,535, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 ASN H 33 ASN QD &rst iat= 488, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 497,498, &end # # 33 ASN HA 33 ASN QB &rst iat= 490, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 492,493, &end # # 33 ASN HA 33 ASN QD &rst iat= 490, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 497,498, &end # # 33 ASN QB 33 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 492,493, igr2= 497,498, &end # # 33 ASN H 34 ARG H &rst iat= 488,502, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 ASN H 34 ARG HA &rst iat= 488,504, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 ASN H 34 ARG QD &rst iat= 488, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 512,513, &end # # 33 ASN HA 34 ARG QG &rst iat= 490, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 509,510, &end # # 33 ASN QB 34 ARG H &rst iat= -1,502, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 492,493, &end # # 33 ASN QB 34 ARG HA &rst iat= -1,504, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 492,493, &end # # 33 ASN QB 34 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 492,493, igr2= 506,507, &end # # 33 ASN QD 34 ARG H &rst iat= -1,502, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 497,498, &end # # 33 ASN QD 34 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 497,498, igr2= 506,507, &end # # 33 ASN QD 34 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 497,498, igr2= 509,510, &end # # 33 ASN QD 34 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 497,498, igr2= 512,513, &end # # 33 ASN H 35 GLY H &rst iat= 488,526, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 ASN QB 35 GLY H &rst iat= -1,526, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 492,493, &end # # 33 ASN QD 35 GLY H &rst iat= -1,526, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 497,498, &end # # 33 ASN QD 35 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 497,498, igr2= 528,529, &end # # 33 ASN QD 37 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 497,498, igr2= 564,565, &end # # 34 ARG H 34 ARG QB &rst iat= 502, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 506,507, &end # # 34 ARG H 34 ARG QG &rst iat= 502, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 509,510, &end # # 34 ARG H 34 ARG QD &rst iat= 502, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 512,513, &end # # 34 ARG HA 34 ARG QG &rst iat= 504, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 509,510, &end # # 34 ARG HA 34 ARG QD &rst iat= 504, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 512,513, &end # # 34 ARG QB 34 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 506,507, igr2= 512,513, &end # # 34 ARG QG 34 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, igr2= 512,513, &end # # 34 ARG H 35 GLY H &rst iat= 502,526, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG H 35 GLY QA &rst iat= 502, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 528,529, &end # # 34 ARG HA 35 GLY QA &rst iat= 504, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 528,529, &end # # 34 ARG QB 35 GLY H &rst iat= -1,526, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 506,507, &end # # 34 ARG QB 35 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 506,507, igr2= 528,529, &end # # 34 ARG QG 35 GLY H &rst iat= -1,526, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, &end # # 34 ARG QD 35 GLY H &rst iat= -1,526, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 512,513, &end # # 34 ARG H 36 TYR H &rst iat= 502,533, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 ARG QB 37 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 506,507, igr2= 561,562, &end # # 34 ARG QD 37 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 512,513, igr2= 564,565, &end # # 34 ARG QB 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 506,507, igr2= 1417,1418,1419, &end # # 34 ARG QG 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, igr2= 1417,1418,1419, &end # # 35 GLY H 36 TYR H &rst iat= 526,533, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 GLY H 36 TYR HA &rst iat= 526,535, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 GLY H 36 TYR QD &rst iat= 526, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,550, &end # # 35 GLY QA 36 TYR H &rst iat= -1,533, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 35 GLY QA 36 TYR HA &rst iat= -1,535, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 35 GLY QA 36 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 537,538, &end # # 35 GLY QA 36 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 541,550, &end # # 35 GLY QA 36 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 543,548, &end # # 35 GLY H 37 ARG H &rst iat= 526,554, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 GLY H 37 ARG QG &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 561,562, &end # # 35 GLY QA 37 ARG H &rst iat= -1,554, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 35 GLY QA 37 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 561,562, &end # # 35 GLY QA 37 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 564,565, &end # # 35 GLY H 91 THR QG2 &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 35 GLY QA 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 1417,1418,1419, &end # # 36 TYR H 36 TYR QB &rst iat= 533, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 537,538, &end # # 36 TYR H 36 TYR QD &rst iat= 533, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,550, &end # # 36 TYR HA 36 TYR QD &rst iat= 535, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,550, &end # # 36 TYR HA 36 TYR QE &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 543,548, &end # # 36 TYR H 37 ARG H &rst iat= 533,554, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR H 37 ARG QD &rst iat= 533, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 564,565, &end # # 36 TYR HA 37 ARG H &rst iat= 535,554, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR HA 37 ARG QB &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 558,559, &end # # 36 TYR HA 37 ARG QD &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 564,565, &end # # 36 TYR QB 37 ARG H &rst iat= -1,554, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR QB 37 ARG HA &rst iat= -1,556, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR QB 37 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, igr2= 558,559, &end # # 36 TYR QD 37 ARG H &rst iat= -1,554, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR H 38 ALA H &rst iat= 533,578, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR QB 38 ALA H &rst iat= -1,578, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR QB 38 ALA HA &rst iat= -1,580, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR HA 40 ASP QB &rst iat= 535, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 603,604, &end # # 36 TYR H 41 TRP HE1 &rst iat= 533,621, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR H 41 TRP HZ2 &rst iat= 533,624, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR HA 41 TRP HE1 &rst iat= 535,621, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR HA 41 TRP HZ2 &rst iat= 535,624, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR QB 41 TRP HZ2 &rst iat= -1,624, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR QB 41 TRP HH2 &rst iat= -1,626, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR QD 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR QD 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR QD 41 TRP HZ2 &rst iat= -1,624, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR QE 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 543,548, &end # # 36 TYR QD 88 GLU HA &rst iat= -1,1368, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR QD 88 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, igr2= 1370,1371, &end # # 36 TYR QD 88 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, igr2= 1373,1374, &end # # 36 TYR QE 88 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 543,548, igr2= 1370,1371, &end # # 36 TYR QE 88 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 543,548, igr2= 1373,1374, &end # # 36 TYR QD 89 THR H &rst iat= -1,1381, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR H 90 VAL HA &rst iat= 533,1397, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR H 90 VAL HB &rst iat= 533,1399, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR H 90 VAL QG &rst iat= 533, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 36 TYR HA 90 VAL HA &rst iat= 535,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR HA 90 VAL QG &rst iat= 535, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 36 TYR QB 90 VAL H &rst iat= -1,1395, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR QB 90 VAL HA &rst iat= -1,1397, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, &end # # 36 TYR QB 90 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, igr2= 1401,1402,1403,1405,1406,1407, &end # # 36 TYR QD 90 VAL HA &rst iat= -1,1397, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR QD 90 VAL HB &rst iat= -1,1399, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR QD 90 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, igr2= 1401,1402,1403,1405,1406,1407, &end # # 36 TYR H 91 THR H &rst iat= 533,1411, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR H 91 THR HB &rst iat= 533,1415, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 TYR H 91 THR QG2 &rst iat= 533, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 36 TYR QD 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, igr2= 1417,1418,1419, &end # # 36 TYR H 98 VAL QG &rst iat= 533, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 36 TYR HA 98 VAL QG &rst iat= 535, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 36 TYR QB 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 537,538, igr2= 1530,1531,1532,1534,1535,1536, &end # # 36 TYR QD 98 VAL HB &rst iat= -1,1528, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, &end # # 36 TYR QD 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, igr2= 1530,1531,1532,1534,1535,1536, &end # # 36 TYR QE 98 VAL HB &rst iat= -1,1528, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 543,548, &end # # 36 TYR QE 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 543,548, igr2= 1530,1531,1532,1534,1535,1536, &end # # 36 TYR QE 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 543,548, igr2= 1712,1720, &end # # 36 TYR QD 112 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,550, igr2= 1745,1746, &end # # 37 ARG H 37 ARG QB &rst iat= 554, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 558,559, &end # # 37 ARG H 37 ARG QG &rst iat= 554, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 561,562, &end # # 37 ARG H 37 ARG QD &rst iat= 554, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 564,565, &end # # 37 ARG HA 37 ARG H &rst iat= 556,554, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 37 ARG QD &rst iat= 556, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 564,565, &end # # 37 ARG QB 37 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, igr2= 564,565, &end # # 37 ARG H 38 ALA H &rst iat= 554,578, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG H 38 ALA QB &rst iat= 554, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 582,583,584, &end # # 37 ARG HA 38 ALA H &rst iat= 556,578, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 38 ALA QB &rst iat= 556, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 582,583,584, &end # # 37 ARG QB 38 ALA H &rst iat= -1,578, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, &end # # 37 ARG QG 38 ALA H &rst iat= -1,578, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 561,562, &end # # 37 ARG QD 38 ALA H &rst iat= -1,578, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, &end # # 37 ARG H 39 SER H &rst iat= 554,588, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG QB 39 SER HA &rst iat= -1,590, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, &end # # 37 ARG QB 39 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, igr2= 592,593, &end # # 37 ARG H 40 ASP H &rst iat= 554,599, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 40 ASP QB &rst iat= 556, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 603,604, &end # # 37 ARG QB 40 ASP H &rst iat= -1,599, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, &end # # 37 ARG QB 40 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, igr2= 603,604, &end # # 37 ARG QG 40 ASP H &rst iat= -1,599, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 561,562, &end # # 37 ARG QD 40 ASP H &rst iat= -1,599, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, &end # # 37 ARG H 41 TRP HE1 &rst iat= 554,621, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG H 41 TRP HZ2 &rst iat= 554,624, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 41 TRP HE1 &rst iat= 556,621, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG QD 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, &end # # 37 ARG H 90 VAL HA &rst iat= 554,1397, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG H 90 VAL HB &rst iat= 554,1399, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG H 90 VAL QG &rst iat= 554, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 37 ARG HA 90 VAL HB &rst iat= 556,1399, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 90 VAL QG &rst iat= 556, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 37 ARG QB 90 VAL HB &rst iat= -1,1399, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, &end # # 37 ARG QG 90 VAL HA &rst iat= -1,1397, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 561,562, &end # # 37 ARG QG 90 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 561,562, igr2= 1401,1402,1403,1405,1406,1407, &end # # 37 ARG H 91 THR QG2 &rst iat= 554, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 37 ARG HA 91 THR H &rst iat= 556,1411, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 91 THR HA &rst iat= 556,1413, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 91 THR QG2 &rst iat= 556, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 37 ARG QB 91 THR HB &rst iat= -1,1415, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, &end # # 37 ARG QB 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 558,559, igr2= 1417,1418,1419, &end # # 37 ARG QG 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 561,562, igr2= 1417,1418,1419, &end # # 37 ARG QD 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, igr2= 1417,1418,1419, &end # # 37 ARG H 92 ASP H &rst iat= 554,1425, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG HA 92 ASP H &rst iat= 556,1425, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 ARG H 98 VAL QG &rst iat= 554, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 38 ALA H 38 ALA QB &rst iat= 578, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 582,583,584, &end # # 38 ALA H 39 SER H &rst iat= 578,588, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA H 39 SER HA &rst iat= 578,590, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA H 39 SER QB &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 592,593, &end # # 38 ALA HA 39 SER HA &rst iat= 580,590, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 39 SER QB &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 592,593, &end # # 38 ALA QB 39 SER H &rst iat= -1,588, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 39 SER HA &rst iat= -1,590, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 39 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 592,593, &end # # 38 ALA H 40 ASP H &rst iat= 578,599, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 40 ASP H &rst iat= 580,599, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 40 ASP QB &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 603,604, &end # # 38 ALA QB 40 ASP H &rst iat= -1,599, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA H 41 TRP H &rst iat= 578,611, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 41 TRP H &rst iat= 580,611, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 41 TRP QB &rst iat= 580, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 615,616, &end # # 38 ALA HA 41 TRP HD1 &rst iat= 580,619, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 41 TRP HE1 &rst iat= 580,621, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 41 TRP HE3 &rst iat= 580,630, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 41 TRP HZ2 &rst iat= 580,624, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA HA 41 TRP HH2 &rst iat= 580,626, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA QB 41 TRP H &rst iat= -1,611, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 41 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 615,616, &end # # 38 ALA QB 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 41 TRP HE3 &rst iat= -1,630, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 41 TRP HZ2 &rst iat= -1,624, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 41 TRP HZ3 &rst iat= -1,628, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 41 TRP HH2 &rst iat= -1,626, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA HA 43 LEU QD &rst iat= 580, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667,668,670,671,672, &end # # 38 ALA QB 43 LEU HA &rst iat= -1,659, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 43 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 661,662, &end # # 38 ALA QB 43 LEU HG &rst iat= -1,664, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 43 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 666,667,668,670,671,672, &end # # 38 ALA H 90 VAL HB &rst iat= 578,1399, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA H 90 VAL QG &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 38 ALA HA 90 VAL QG &rst iat= 580, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 38 ALA QB 90 VAL H &rst iat= -1,1395, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 90 VAL HA &rst iat= -1,1397, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 90 VAL HB &rst iat= -1,1399, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 90 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 1401,1402,1403,1405,1406,1407, &end # # 38 ALA H 91 THR H &rst iat= 578,1411, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA QB 91 THR H &rst iat= -1,1411, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.64, r4= 9.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 1417,1418,1419, &end # # 38 ALA QB 92 ASP H &rst iat= -1,1425, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 93 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 1441,1442, &end # # 38 ALA H 96 TYR QD &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1500, &end # # 38 ALA HA 96 TYR QB &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1487,1488, &end # # 38 ALA HA 96 TYR QD &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1500, &end # # 38 ALA QB 96 TYR H &rst iat= -1,1483, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 96 TYR HA &rst iat= -1,1485, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA QB 96 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 1487,1488, &end # # 38 ALA QB 96 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 1491,1500, &end # # 38 ALA QB 96 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 1493,1498, &end # # 38 ALA QB 97 PHE H &rst iat= -1,1504, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 39 SER H 40 ASP H &rst iat= 588,599, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 SER HA 40 ASP HA &rst iat= 590,601, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 SER HA 40 ASP QB &rst iat= 590, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 603,604, &end # # 39 SER QB 40 ASP H &rst iat= -1,599, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593, &end # # 39 SER QB 40 ASP HA &rst iat= -1,601, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593, &end # # 39 SER QB 40 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593, igr2= 603,604, &end # # 39 SER H 41 TRP H &rst iat= 588,611, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 SER HA 41 TRP H &rst iat= 590,611, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 SER QB 41 TRP H &rst iat= -1,611, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593, &end # # 39 SER HA 43 LEU H &rst iat= 590,657, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 SER HA 43 LEU QB &rst iat= 590, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 39 SER HA 43 LEU HG &rst iat= 590,664, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 SER HA 43 LEU QD &rst iat= 590, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667,668,670,671,672, &end # # 39 SER QB 43 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593, igr2= 661,662, &end # # 39 SER QB 43 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593, igr2= 666,667,668,670,671,672, &end # # 40 ASP H 40 ASP QB &rst iat= 599, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 603,604, &end # # 40 ASP H 41 TRP H &rst iat= 599,611, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 ASP H 41 TRP HA &rst iat= 599,613, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 ASP H 41 TRP HD1 &rst iat= 599,619, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 ASP H 41 TRP HE1 &rst iat= 599,621, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 ASP HA 41 TRP HD1 &rst iat= 601,619, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 ASP QB 41 TRP H &rst iat= -1,611, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 603,604, &end # # 40 ASP QB 41 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 603,604, igr2= 615,616, &end # # 40 ASP QB 41 TRP HD1 &rst iat= -1,619, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 603,604, &end # # 40 ASP QB 41 TRP HE1 &rst iat= -1,621, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 603,604, &end # # 41 TRP H 41 TRP QB &rst iat= 611, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 615,616, &end # # 41 TRP H 41 TRP HD1 &rst iat= 611,619, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP H 41 TRP HE1 &rst iat= 611,621, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HA 41 TRP HD1 &rst iat= 613,619, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HA 41 TRP HE3 &rst iat= 613,630, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP H 42 LYS H &rst iat= 611,635, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HA 42 LYS HA &rst iat= 613,637, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HA 42 LYS QB &rst iat= 613, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 639,640, &end # # 41 TRP HA 42 LYS QD &rst iat= 613, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 645,646, &end # # 41 TRP QB 42 LYS H &rst iat= -1,635, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 615,616, &end # # 41 TRP QB 42 LYS HA &rst iat= -1,637, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 615,616, &end # # 41 TRP QB 42 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 615,616, igr2= 639,640, &end # # 41 TRP HE3 42 LYS HA &rst iat= 630,637, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP H 43 LEU H &rst iat= 611,657, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP H 43 LEU HA &rst iat= 611,659, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP H 43 LEU QB &rst iat= 611, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 41 TRP H 43 LEU QD &rst iat= 611, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667,668,670,671,672, &end # # 41 TRP HA 43 LEU H &rst iat= 613,657, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP QB 43 LEU H &rst iat= -1,657, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 615,616, &end # # 41 TRP HE3 43 LEU HA &rst iat= 630,659, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HE3 43 LEU QD &rst iat= 630, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667,668,670,671,672, &end # # 41 TRP HE1 90 VAL HA &rst iat= 621,1397, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HE1 90 VAL QG &rst iat= 621, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 41 TRP HZ2 90 VAL HA &rst iat= 624,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HZ2 90 VAL QG &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 41 TRP HZ3 90 VAL QG &rst iat= 628, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 41 TRP HH2 90 VAL HA &rst iat= 626,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HH2 90 VAL QG &rst iat= 626, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 41 TRP HH2 96 TYR QD &rst iat= 626, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1500, &end # # 41 TRP HH2 97 PHE H &rst iat= 626,1504, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HE1 98 VAL QG &rst iat= 621, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 41 TRP HZ2 98 VAL QG &rst iat= 624, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 41 TRP HZ3 98 VAL QG &rst iat= 628, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 41 TRP HH2 98 VAL HA &rst iat= 626,1526, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 TRP HH2 98 VAL QG &rst iat= 626, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 42 LYS H 42 LYS QB &rst iat= 635, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 639,640, &end # # 42 LYS H 42 LYS QG &rst iat= 635, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 642,643, &end # # 42 LYS H 42 LYS QD &rst iat= 635, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 645,646, &end # # 42 LYS HA 42 LYS H &rst iat= 637,635, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 LYS HA 42 LYS QG &rst iat= 637, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 642,643, &end # # 42 LYS HA 42 LYS QD &rst iat= 637, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 645,646, &end # # 42 LYS HA 42 LYS QE &rst iat= 637, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 648,649, &end # # 42 LYS QB 42 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 639,640, igr2= 645,646, &end # # 42 LYS QB 42 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 639,640, igr2= 648,649, &end # # 42 LYS QG 42 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 642,643, igr2= 645,646, &end # # 42 LYS QG 42 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 642,643, igr2= 648,649, &end # # 42 LYS QD 42 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646, igr2= 648,649, &end # # 42 LYS H 43 LEU H &rst iat= 635,657, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 LYS H 43 LEU HA &rst iat= 635,659, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 LYS HA 43 LEU H &rst iat= 637,657, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 LYS HA 43 LEU HA &rst iat= 637,659, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 LYS HA 43 LEU HG &rst iat= 637,664, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 LYS HA 43 LEU QD &rst iat= 637, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667,668,670,671,672, &end # # 42 LYS QB 43 LEU H &rst iat= -1,657, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 639,640, &end # # 42 LYS QG 43 LEU H &rst iat= -1,657, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 642,643, &end # # 42 LYS QD 43 LEU H &rst iat= -1,657, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646, &end # # 42 LYS QB 44 ASP H &rst iat= -1,676, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 639,640, &end # # 42 LYS HA 45 GLN H &rst iat= 637,688, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 LYS HA 45 GLN QB &rst iat= 637, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 692,693, &end # # 42 LYS HA 45 GLN QG &rst iat= 637, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 42 LYS HA 45 GLN QE &rst iat= 637, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 700,701, &end # # 42 LYS QB 45 GLN H &rst iat= -1,688, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 639,640, &end # # 42 LYS QB 45 GLN HA &rst iat= -1,690, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 639,640, &end # # 42 LYS QB 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 639,640, igr2= 700,701, &end # # 42 LYS QG 45 GLN H &rst iat= -1,688, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 642,643, &end # # 42 LYS QG 45 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 642,643, igr2= 692,693, &end # # 42 LYS QG 45 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 642,643, igr2= 695,696, &end # # 42 LYS QG 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 642,643, igr2= 700,701, &end # # 42 LYS QD 45 GLN HA &rst iat= -1,690, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646, &end # # 42 LYS QD 45 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646, igr2= 692,693, &end # # 42 LYS QD 45 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646, igr2= 695,696, &end # # 42 LYS QD 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646, igr2= 700,701, &end # # 42 LYS QE 45 GLN HA &rst iat= -1,690, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 648,649, &end # # 42 LYS QE 45 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 648,649, igr2= 692,693, &end # # 42 LYS QE 45 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 648,649, igr2= 695,696, &end # # 42 LYS QE 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 648,649, igr2= 700,701, &end # # 43 LEU H 43 LEU QB &rst iat= 657, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 43 LEU H 43 LEU QD &rst iat= 657, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667,668,670,671,672, &end # # 43 LEU HA 43 LEU QD &rst iat= 659, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667,668,670,671,672, &end # # 43 LEU QB 43 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, igr2= 666,667,668,670,671,672, &end # # 43 LEU H 44 ASP H &rst iat= 657,676, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 LEU H 44 ASP QB &rst iat= 657, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 680,681, &end # # 43 LEU HA 44 ASP HA &rst iat= 659,678, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 LEU QB 44 ASP H &rst iat= -1,676, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, &end # # 43 LEU QB 44 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, igr2= 680,681, &end # # 43 LEU HG 44 ASP HA &rst iat= 664,678, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 LEU HG 44 ASP QB &rst iat= 664, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 680,681, &end # # 43 LEU QD 44 ASP H &rst iat= -1,676, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, &end # # 43 LEU QD 44 ASP HA &rst iat= -1,678, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, &end # # 43 LEU H 45 GLN H &rst iat= 657,688, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 LEU H 45 GLN QB &rst iat= 657, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 692,693, &end # # 43 LEU H 45 GLN QG &rst iat= 657, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 43 LEU HA 45 GLN H &rst iat= 659,688, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 LEU QB 45 GLN H &rst iat= -1,688, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, &end # # 43 LEU HG 45 GLN H &rst iat= 664,688, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 LEU QD 45 GLN H &rst iat= -1,688, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, &end # # 43 LEU HA 96 TYR QD &rst iat= 659, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1500, &end # # 43 LEU HA 96 TYR QE &rst iat= 659, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1493,1498, &end # # 43 LEU QD 96 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, igr2= 1491,1500, &end # # 43 LEU QD 96 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, igr2= 1493,1498, &end # # 44 ASP H 44 ASP QB &rst iat= 676, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 680,681, &end # # 44 ASP HA 44 ASP QB &rst iat= 678, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 680,681, &end # # 44 ASP H 45 GLN H &rst iat= 676,688, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 ASP H 45 GLN HA &rst iat= 676,690, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 ASP H 45 GLN QB &rst iat= 676, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 692,693, &end # # 44 ASP H 45 GLN QG &rst iat= 676, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 44 ASP H 45 GLN QE &rst iat= 676, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 700,701, &end # # 44 ASP HA 45 GLN HA &rst iat= 678,690, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 ASP HA 45 GLN QB &rst iat= 678, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 692,693, &end # # 44 ASP HA 45 GLN QG &rst iat= 678, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 44 ASP QB 45 GLN H &rst iat= -1,688, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 680,681, &end # # 44 ASP QB 45 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 680,681, igr2= 695,696, &end # # 44 ASP HA 46 PRO QD &rst iat= 678, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 706,707, &end # # 44 ASP HA 96 TYR QE &rst iat= 678, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1493,1498, &end # # 45 GLN H 45 GLN QB &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 692,693, &end # # 45 GLN H 45 GLN QG &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 45 GLN HA 45 GLN QG &rst iat= 690, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 45 GLN HA 45 GLN QE &rst iat= 690, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 700,701, &end # # 45 GLN QB 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 692,693, igr2= 700,701, &end # # 45 GLN QG 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 695,696, igr2= 700,701, &end # # 45 GLN H 46 PRO HA &rst iat= 688,715, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN H 46 PRO QD &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 706,707, &end # # 45 GLN HA 46 PRO HA &rst iat= 690,715, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN HA 46 PRO QB &rst iat= 690, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 712,713, &end # # 45 GLN HA 46 PRO QG &rst iat= 690, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 709,710, &end # # 45 GLN HA 46 PRO QD &rst iat= 690, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 706,707, &end # # 45 GLN QB 46 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 692,693, igr2= 706,707, &end # # 45 GLN QG 46 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 695,696, igr2= 706,707, &end # # 46 PRO HA 47 ASP HA &rst iat= 715,721, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 PRO HA 47 ASP QB &rst iat= 715, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724, &end # # 46 PRO QB 47 ASP H &rst iat= -1,719, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 712,713, &end # # 46 PRO HA 48 TRP H &rst iat= 715,731, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 PRO QB 48 TRP H &rst iat= -1,731, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 712,713, &end # # 46 PRO QB 49 THR H &rst iat= -1,755, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 712,713, &end # # 46 PRO QB 49 THR HB &rst iat= -1,759, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 712,713, &end # # 46 PRO QB 49 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 712,713, igr2= 761,762,763, &end # # 46 PRO QG 49 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 709,710, igr2= 761,762,763, &end # # 46 PRO QD 49 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 706,707, igr2= 761,762,763, &end # # 47 ASP H 47 ASP QB &rst iat= 719, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724, &end # # 47 ASP H 48 TRP H &rst iat= 719,731, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ASP H 48 TRP HA &rst iat= 719,733, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ASP H 48 TRP QB &rst iat= 719, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 735,736, &end # # 47 ASP HA 48 TRP HA &rst iat= 721,733, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ASP QB 48 TRP H &rst iat= -1,731, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 723,724, &end # # 47 ASP HA 49 THR QG2 &rst iat= 721, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 48 TRP H 48 TRP HD1 &rst iat= 731,739, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP H 48 TRP HE3 &rst iat= 731,750, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HA 48 TRP HD1 &rst iat= 733,739, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HA 48 TRP HE3 &rst iat= 733,750, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP QB 48 TRP HD1 &rst iat= -1,739, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, &end # # 48 TRP QB 48 TRP HE3 &rst iat= -1,750, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, &end # # 48 TRP QB 48 TRP HZ3 &rst iat= -1,748, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, &end # # 48 TRP H 49 THR H &rst iat= 731,755, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP H 49 THR HA &rst iat= 731,757, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP H 49 THR QG2 &rst iat= 731, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 48 TRP HA 49 THR H &rst iat= 733,755, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HA 49 THR QG2 &rst iat= 733, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 48 TRP QB 49 THR H &rst iat= -1,755, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, &end # # 48 TRP QB 49 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, igr2= 761,762,763, &end # # 48 TRP HD1 49 THR H &rst iat= 739,755, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HE1 49 THR H &rst iat= 741,755, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HE3 49 THR HA &rst iat= 750,757, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 49 THR H &rst iat= 744,755, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ3 49 THR HA &rst iat= 748,757, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ3 49 THR QG2 &rst iat= 748, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 48 TRP HE3 50 GLY H &rst iat= 750,769, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ3 50 GLY H &rst iat= 748,769, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 50 GLY QA &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772, &end # # 48 TRP HH2 50 GLY QA &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772, &end # # 48 TRP HZ2 51 ARG H &rst iat= 744,776, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ3 51 ARG H &rst iat= 748,776, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 51 ARG QB &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 780,781, &end # # 48 TRP HH2 51 ARG H &rst iat= 746,776, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HH2 51 ARG QB &rst iat= 746, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 780,781, &end # # 48 TRP HE1 65 LEU QD &rst iat= 741, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 48 TRP HE3 65 LEU QD &rst iat= 750, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 48 TRP HZ2 65 LEU QB &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1028,1029, &end # # 48 TRP HZ3 65 LEU QB &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1028,1029, &end # # 48 TRP HZ3 65 LEU HG &rst iat= 748,1031, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 65 LEU QD &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 48 TRP HZ3 65 LEU QD &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 48 TRP HH2 65 LEU HA &rst iat= 746,1026, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HH2 65 LEU QB &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1028,1029, &end # # 48 TRP HH2 65 LEU HG &rst iat= 746,1031, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HH2 65 LEU QD &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 48 TRP HZ2 66 GLU H &rst iat= 744,1043, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ3 66 GLU H &rst iat= 748,1043, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 66 GLU HA &rst iat= 744,1045, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 66 GLU QB &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1047,1048, &end # # 48 TRP HH2 66 GLU H &rst iat= 746,1043, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HH2 66 GLU HA &rst iat= 746,1045, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HE1 67 ASP H &rst iat= 741,1058, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HE1 67 ASP HA &rst iat= 741,1060, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HE1 67 ASP QB &rst iat= 741, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 48 TRP HZ2 67 ASP H &rst iat= 744,1058, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 67 ASP HA &rst iat= 744,1060, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 67 ASP QB &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 48 TRP HH2 67 ASP HA &rst iat= 746,1060, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 68 LYS H &rst iat= 744,1070, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 68 LYS QB &rst iat= 744, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1074,1075, &end # # 48 TRP HH2 68 LYS H &rst iat= 746,1070, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP H 74 PHE QE &rst iat= 731, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 48 TRP QB 74 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, igr2= 1168,1176, &end # # 48 TRP QB 74 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, igr2= 1170,1174, &end # # 48 TRP QB 74 PHE HZ &rst iat= -1,1172, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736, &end # # 48 TRP HD1 74 PHE QB &rst iat= 739, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 48 TRP HD1 74 PHE QD &rst iat= 739, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 48 TRP HD1 74 PHE QE &rst iat= 739, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 48 TRP HD1 74 PHE HZ &rst iat= 739,1172, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HE1 74 PHE HA &rst iat= 741,1162, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HE1 74 PHE QB &rst iat= 741, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 48 TRP HE1 74 PHE QD &rst iat= 741, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 48 TRP HE1 74 PHE QE &rst iat= 741, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 48 TRP HE3 74 PHE QE &rst iat= 750, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 48 TRP HZ2 74 PHE H &rst iat= 744,1160, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 74 PHE HA &rst iat= 744,1162, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 TRP HZ2 74 PHE QB &rst iat= 744, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 48 TRP HZ2 74 PHE QD &rst iat= 744, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 48 TRP HZ3 74 PHE QD &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 48 TRP HZ3 74 PHE QE &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 48 TRP HH2 74 PHE QB &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 48 TRP HH2 74 PHE QD &rst iat= 746, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 49 THR H 49 THR HB &rst iat= 755,759, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 THR H 49 THR QG2 &rst iat= 755, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 49 THR HA 49 THR QG2 &rst iat= 757, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 761,762,763, &end # # 49 THR H 50 GLY H &rst iat= 755,769, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 THR H 50 GLY QA &rst iat= 755, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772, &end # # 49 THR HA 50 GLY H &rst iat= 757,769, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 THR HB 50 GLY H &rst iat= 759,769, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 THR HB 50 GLY QA &rst iat= 759, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772, &end # # 49 THR QG2 50 GLY H &rst iat= -1,769, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 761,762,763, &end # # 49 THR QG2 50 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 761,762,763, igr2= 771,772, &end # # 49 THR HA 51 ARG H &rst iat= 757,776, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 THR HA 65 LEU QD &rst iat= 757, -1, r1= 0, r2= 0, r3= 7.695, r4= 8.37, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 49 THR HB 68 LYS QD &rst iat= 759, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1080,1081, &end # # 50 GLY H 51 ARG H &rst iat= 769,776, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 GLY H 51 ARG HA &rst iat= 769,778, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 GLY QA 51 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, igr2= 780,781, &end # # 50 GLY H 65 LEU QD &rst iat= 769, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 50 GLY QA 66 GLU H &rst iat= -1,1043, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, &end # # 50 GLY QA 67 ASP HA &rst iat= -1,1060, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, &end # # 50 GLY H 68 LYS H &rst iat= 769,1070, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 GLY H 68 LYS QB &rst iat= 769, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1074,1075, &end # # 50 GLY H 68 LYS QD &rst iat= 769, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1080,1081, &end # # 50 GLY H 68 LYS QE &rst iat= 769, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1083,1084, &end # # 50 GLY QA 68 LYS H &rst iat= -1,1070, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, &end # # 50 GLY QA 68 LYS HA &rst iat= -1,1072, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, &end # # 50 GLY QA 68 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, igr2= 1074,1075, &end # # 50 GLY QA 68 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, igr2= 1077,1078, &end # # 50 GLY QA 68 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, igr2= 1080,1081, &end # # 50 GLY QA 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, igr2= 1083,1084, &end # # 50 GLY QA 69 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.6184, r4= 9.3744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772, igr2= 1098,1099,1100,1102,1103,1104, &end # # 51 ARG H 51 ARG QG &rst iat= 776, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 783,784, &end # # 51 ARG H 51 ARG QD &rst iat= 776, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787, &end # # 51 ARG HA 51 ARG QD &rst iat= 778, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787, &end # # 51 ARG QB 51 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 780,781, igr2= 786,787, &end # # 51 ARG H 52 LEU H &rst iat= 776,800, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ARG HA 52 LEU H &rst iat= 778,800, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ARG HA 52 LEU QB &rst iat= 778, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 804,805, &end # # 51 ARG QB 52 LEU H &rst iat= -1,800, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 780,781, &end # # 51 ARG QB 52 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 780,781, igr2= 804,805, &end # # 51 ARG QG 52 LEU H &rst iat= -1,800, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 783,784, &end # # 51 ARG QD 52 LEU H &rst iat= -1,800, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 786,787, &end # # 51 ARG H 65 LEU HA &rst iat= 776,1026, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ARG H 65 LEU QD &rst iat= 776, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.235, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 51 ARG QB 65 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 780,781, igr2= 1033,1034,1035,1037,1038,1039, &end # # 51 ARG H 66 GLU H &rst iat= 776,1043, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ARG QB 66 GLU H &rst iat= -1,1043, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 780,781, &end # # 51 ARG H 67 ASP HA &rst iat= 776,1060, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ARG H 67 ASP QB &rst iat= 776, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 51 ARG H 68 LYS QE &rst iat= 776, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1083,1084, &end # # 51 ARG HA 68 LYS QE &rst iat= 778, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1083,1084, &end # # 51 ARG QB 68 LYS H &rst iat= -1,1070, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 780,781, &end # # 51 ARG QB 68 LYS HA &rst iat= -1,1072, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 780,781, &end # # 51 ARG QG 68 LYS HA &rst iat= -1,1072, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 783,784, &end # # 51 ARG QD 68 LYS HA &rst iat= -1,1072, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 786,787, &end # # 52 LEU H 52 LEU QB &rst iat= 800, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 804,805, &end # # 52 LEU H 52 LEU QD &rst iat= 800, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810,811,813,814,815, &end # # 52 LEU HA 52 LEU HG &rst iat= 802,807, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HA 52 LEU QD &rst iat= 802, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 809,810,811,813,814,815, &end # # 52 LEU QB 52 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 804,805, igr2= 809,810,811,813,814,815, &end # # 52 LEU H 53 ARG H &rst iat= 800,819, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU QB 53 ARG H &rst iat= -1,819, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 804,805, &end # # 52 LEU HG 53 ARG H &rst iat= 807,819, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HG 53 ARG HA &rst iat= 807,821, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU QD 53 ARG H &rst iat= -1,819, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 53 ARG HA &rst iat= -1,821, r1= 0, r2= 0, r3= 7.56, r4= 8.235, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 53 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 823,824, &end # # 52 LEU HG 54 ILE H &rst iat= 807,843, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HG 54 ILE HA &rst iat= 807,845, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HG 54 ILE QD1 &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 52 LEU QD 54 ILE H &rst iat= -1,843, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 54 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 853,854, &end # # 52 LEU QD 54 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 856,857,858, &end # # 52 LEU HA 63 ILE QG2 &rst iat= 802, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990,991, &end # # 52 LEU HG 63 ILE HA &rst iat= 807,985, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HG 63 ILE QD1 &rst iat= 807, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 52 LEU QD 63 ILE HA &rst iat= -1,985, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 63 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 989,990,991, &end # # 52 LEU HG 64 LYS H &rst iat= 807,1002, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU QD 64 LYS H &rst iat= -1,1002, r1= 0, r2= 0, r3= 7.695, r4= 8.37, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU HA 65 LEU HA &rst iat= 802,1026, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HA 65 LEU HG &rst iat= 802,1031, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HA 65 LEU QD &rst iat= 802, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 52 LEU QB 65 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 804,805, igr2= 1033,1034,1035,1037,1038,1039, &end # # 52 LEU HG 65 LEU HA &rst iat= 807,1026, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU HG 65 LEU QD &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 52 LEU QD 65 LEU HA &rst iat= -1,1026, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 65 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1028,1029, &end # # 52 LEU QD 65 LEU HG &rst iat= -1,1031, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 65 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.019, r4= 8.93025, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1033,1034,1035,1037,1038,1039, &end # # 52 LEU HA 66 GLU H &rst iat= 802,1043, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 LEU QD 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1763,1764,1765, &end # # 52 LEU H 115 PHE QE &rst iat= 800, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1786,1790, &end # # 52 LEU QB 115 PHE HZ &rst iat= -1,1788, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 804,805, &end # # 52 LEU QD 115 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1784,1792, &end # # 52 LEU QD 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1786,1790, &end # # 52 LEU QD 115 PHE HZ &rst iat= -1,1788, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QB 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 804,805, igr2= 1915,1923, &end # # 52 LEU HG 124 PHE QD &rst iat= 807, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1915,1923, &end # # 52 LEU QD 124 PHE H &rst iat= -1,1907, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 124 PHE HA &rst iat= -1,1909, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, &end # # 52 LEU QD 124 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1911,1912, &end # # 52 LEU QD 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1915,1923, &end # # 52 LEU QD 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 809,810,811,813,814,815, igr2= 1917,1921, &end # # 53 ARG H 53 ARG QD &rst iat= 819, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 53 ARG HA 53 ARG QD &rst iat= 821, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830, &end # # 53 ARG HA 53 ARG HE &rst iat= 821,832, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG QB 53 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 829,830, &end # # 53 ARG QB 53 ARG HE &rst iat= -1,832, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, &end # # 53 ARG H 54 ILE H &rst iat= 819,843, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG H 54 ILE QG1 &rst iat= 819, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 853,854, &end # # 53 ARG H 54 ILE QD1 &rst iat= 819, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 53 ARG HA 54 ILE HA &rst iat= 821,845, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG HA 54 ILE QG2 &rst iat= 821, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 53 ARG HA 54 ILE QD1 &rst iat= 821, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 53 ARG QB 54 ILE H &rst iat= -1,843, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, &end # # 53 ARG QD 54 ILE H &rst iat= -1,843, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830, &end # # 53 ARG QB 55 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 868,869,870, &end # # 53 ARG QD 55 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830, igr2= 868,869,870, &end # # 53 ARG H 63 ILE QG2 &rst iat= 819, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990,991, &end # # 53 ARG H 64 LYS H &rst iat= 819,1002, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG H 64 LYS HA &rst iat= 819,1004, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG QG 64 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 826,827, igr2= 1006,1007, &end # # 53 ARG H 65 LEU H &rst iat= 819,1024, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG H 65 LEU HA &rst iat= 819,1026, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG H 65 LEU QD &rst iat= 819, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 53 ARG QB 65 LEU HA &rst iat= -1,1026, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, &end # # 53 ARG H 66 GLU H &rst iat= 819,1043, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ARG HA 66 GLU QG &rst iat= 821, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 53 ARG QB 66 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 1050,1051, &end # # 54 ILE H 54 ILE HB &rst iat= 843,847, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE H 54 ILE QG1 &rst iat= 843, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 853,854, &end # # 54 ILE H 54 ILE QG2 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 54 ILE H 54 ILE QD1 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 54 ILE HA 54 ILE QG1 &rst iat= 845, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 853,854, &end # # 54 ILE HA 54 ILE QG2 &rst iat= 845, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850,851, &end # # 54 ILE HA 54 ILE QD1 &rst iat= 845, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 856,857,858, &end # # 54 ILE QG2 54 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 853,854, &end # # 54 ILE H 55 THR H &rst iat= 843,862, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE H 55 THR QG2 &rst iat= 843, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 54 ILE HA 55 THR H &rst iat= 845,862, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE HA 55 THR HA &rst iat= 845,864, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE QG2 55 THR H &rst iat= -1,862, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 55 THR HA &rst iat= -1,864, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QD1 55 THR H &rst iat= -1,862, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QG2 56 SER HA &rst iat= -1,878, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE HA 61 ALA QB &rst iat= 845, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 54 ILE QG2 61 ALA HA &rst iat= -1,954, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 61 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 956,957,958, &end # # 54 ILE QD1 61 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 956,957,958, &end # # 54 ILE HA 62 TYR H &rst iat= 845,962, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE QG2 62 TYR H &rst iat= -1,962, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 62 TYR HA &rst iat= -1,964, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 62 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 970,979, &end # # 54 ILE HA 63 ILE HA &rst iat= 845,985, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE HA 63 ILE QG2 &rst iat= 845, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990,991, &end # # 54 ILE HA 63 ILE QD1 &rst iat= 845, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 54 ILE QG2 63 ILE H &rst iat= -1,983, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 63 ILE HA &rst iat= -1,985, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 63 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 993,994, &end # # 54 ILE QG2 63 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.488, r4= 8.208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 996,997,998, &end # # 54 ILE QD1 63 ILE H &rst iat= -1,983, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 63 ILE HA &rst iat= -1,985, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 63 ILE HB &rst iat= -1,987, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 63 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 993,994, &end # # 54 ILE QD1 63 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 989,990,991, &end # # 54 ILE QD1 63 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.336, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 996,997,998, &end # # 54 ILE H 64 LYS H &rst iat= 843,1002, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE HA 64 LYS H &rst iat= 845,1002, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ILE QG2 64 LYS H &rst iat= -1,1002, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QD1 64 LYS H &rst iat= -1,1002, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QG1 124 PHE HA &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,854, &end # # 54 ILE QG1 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,854, igr2= 1915,1923, &end # # 54 ILE QG2 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 1915,1923, &end # # 54 ILE QG2 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 1917,1921, &end # # 54 ILE QD1 124 PHE H &rst iat= -1,1907, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 124 PHE HA &rst iat= -1,1909, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 124 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 1911,1912, &end # # 54 ILE QD1 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 1915,1923, &end # # 54 ILE QD1 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 1917,1921, &end # # 54 ILE QD1 125 ASN HA &rst iat= -1,1929, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QG2 127 SER HA &rst iat= -1,1959, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 127 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 1961,1962, &end # # 54 ILE QD1 127 SER H &rst iat= -1,1957, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 127 SER HA &rst iat= -1,1959, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 127 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 1961,1962, &end # # 54 ILE HB 128 LEU QD &rst iat= 847, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.235, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 54 ILE QG2 128 LEU HA &rst iat= -1,1970, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG2 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 1972,1973, &end # # 54 ILE QG2 128 LEU HG &rst iat= -1,1975, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, &end # # 54 ILE QG1 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 853,854, igr2= 1977,1978,1979,1981,1982,1983, &end # # 54 ILE QG2 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850,851, igr2= 1977,1978,1979,1981,1982,1983, &end # # 54 ILE QD1 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 128 LEU HA &rst iat= -1,1970, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 1972,1973, &end # # 54 ILE QD1 128 LEU HG &rst iat= -1,1975, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, &end # # 54 ILE QD1 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 856,857,858, igr2= 1977,1978,1979,1981,1982,1983, &end # # 55 THR H 55 THR QG2 &rst iat= 862, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 55 THR HA 55 THR QG2 &rst iat= 864, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 868,869,870, &end # # 55 THR H 56 SER H &rst iat= 862,876, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 THR HB 56 SER H &rst iat= 866,876, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 THR QG2 56 SER H &rst iat= -1,876, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 868,869,870, &end # # 55 THR H 61 ALA HA &rst iat= 862,954, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 THR H 61 ALA QB &rst iat= 862, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 55 THR HA 61 ALA QB &rst iat= 864, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 55 THR H 62 TYR HA &rst iat= 862,964, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 THR H 62 TYR QB &rst iat= 862, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967, &end # # 55 THR HA 62 TYR QD &rst iat= 864, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 970,979, &end # # 55 THR QG2 62 TYR H &rst iat= -1,962, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 868,869,870, &end # # 55 THR QG2 62 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 868,869,870, igr2= 966,967, &end # # 55 THR H 63 ILE H &rst iat= 862,983, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 THR H 63 ILE QG1 &rst iat= 862, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 993,994, &end # # 55 THR H 63 ILE QD1 &rst iat= 862, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 55 THR H 64 LYS H &rst iat= 862,1002, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 THR H 64 LYS QG &rst iat= 862, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1009,1010, &end # # 55 THR QG2 64 LYS H &rst iat= -1,1002, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 868,869,870, &end # # 55 THR QG2 64 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 868,869,870, igr2= 1012,1013, &end # # 55 THR QG2 64 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 868,869,870, igr2= 1015,1016, &end # # 55 THR H 128 LEU QD &rst iat= 862, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 56 SER H 57 LYS H &rst iat= 876,887, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 SER H 57 LYS QB &rst iat= 876, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 891,892, &end # # 56 SER HA 57 LYS QG &rst iat= 878, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 56 SER QB 57 LYS H &rst iat= -1,887, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, &end # # 56 SER HA 58 GLY H &rst iat= 878,909, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 SER QB 58 GLY H &rst iat= -1,909, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, &end # # 56 SER HA 60 THR QG2 &rst iat= 878, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945,946, &end # # 56 SER QB 60 THR H &rst iat= -1,938, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, &end # # 56 SER H 61 ALA QB &rst iat= 876, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 56 SER HA 61 ALA HA &rst iat= 878,954, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 SER HA 61 ALA QB &rst iat= 878, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 56 SER QB 61 ALA H &rst iat= -1,952, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, &end # # 56 SER QB 61 ALA HA &rst iat= -1,954, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, &end # # 56 SER QB 61 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, igr2= 956,957,958, &end # # 56 SER H 62 TYR H &rst iat= 876,962, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 SER H 62 TYR QB &rst iat= 876, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967, &end # # 56 SER H 62 TYR QE &rst iat= 876, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 56 SER HA 62 TYR H &rst iat= 878,962, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 SER HA 62 TYR QD &rst iat= 878, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 970,979, &end # # 56 SER HA 62 TYR QE &rst iat= 878, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 56 SER QB 62 TYR H &rst iat= -1,962, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, &end # # 56 SER QB 62 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, igr2= 970,979, &end # # 56 SER QB 62 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, igr2= 972,977, &end # # 56 SER HA 131 HIS HE1 &rst iat= 878,2025, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 SER QB 131 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, igr2= 2020,2021, &end # # 56 SER QB 131 HIS HE1 &rst iat= -1,2025, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 880,881, &end # # 57 LYS H 57 LYS QG &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 57 LYS H 57 LYS QD &rst iat= 887, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 897,898, &end # # 57 LYS HA 57 LYS QG &rst iat= 889, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 894,895, &end # # 57 LYS HA 57 LYS QD &rst iat= 889, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 897,898, &end # # 57 LYS HA 57 LYS QE &rst iat= 889, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 900,901, &end # # 57 LYS QB 57 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 891,892, igr2= 897,898, &end # # 57 LYS QB 57 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 891,892, igr2= 900,901, &end # # 57 LYS QG 57 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,895, igr2= 900,901, &end # # 57 LYS H 58 GLY H &rst iat= 887,909, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 LYS H 58 GLY QA &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 911,912, &end # # 57 LYS HA 58 GLY QA &rst iat= 889, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 911,912, &end # # 57 LYS QB 58 GLY H &rst iat= -1,909, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 891,892, &end # # 57 LYS QG 58 GLY H &rst iat= -1,909, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,895, &end # # 57 LYS QG 58 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,895, igr2= 911,912, &end # # 57 LYS QD 58 GLY H &rst iat= -1,909, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 897,898, &end # # 57 LYS QE 58 GLY H &rst iat= -1,909, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901, &end # # 57 LYS H 60 THR H &rst iat= 887,938, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 LYS H 60 THR HB &rst iat= 887,942, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 LYS H 60 THR QG2 &rst iat= 887, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945,946, &end # # 57 LYS QB 60 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 891,892, igr2= 944,945,946, &end # # 57 LYS QG 60 THR HB &rst iat= -1,942, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,895, &end # # 57 LYS H 61 ALA HA &rst iat= 887,954, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 LYS H 61 ALA QB &rst iat= 887, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 57 LYS H 62 TYR H &rst iat= 887,962, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 LYS H 62 TYR QD &rst iat= 887, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 970,979, &end # # 57 LYS H 62 TYR QE &rst iat= 887, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 57 LYS HA 62 TYR QE &rst iat= 889, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 57 LYS QB 62 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 891,892, igr2= 970,979, &end # # 57 LYS QB 62 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 891,892, igr2= 972,977, &end # # 57 LYS QG 62 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 894,895, igr2= 972,977, &end # # 57 LYS QD 62 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 897,898, igr2= 970,979, &end # # 57 LYS QD 62 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 897,898, igr2= 972,977, &end # # 57 LYS QE 62 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901, igr2= 970,979, &end # # 57 LYS QE 62 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901, igr2= 972,977, &end # # 58 GLY H 59 LYS H &rst iat= 909,916, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 GLY QA 59 LYS HA &rst iat= -1,918, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 911,912, &end # # 58 GLY H 60 THR H &rst iat= 909,938, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 GLY H 60 THR HB &rst iat= 909,942, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 GLY QA 60 THR H &rst iat= -1,938, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 911,912, &end # # 59 LYS H 59 LYS QG &rst iat= 916, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 923,924, &end # # 59 LYS H 59 LYS QD &rst iat= 916, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 926,927, &end # # 59 LYS HA 59 LYS QG &rst iat= 918, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 923,924, &end # # 59 LYS HA 59 LYS QD &rst iat= 918, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 926,927, &end # # 59 LYS HA 59 LYS QE &rst iat= 918, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 929,930, &end # # 59 LYS QB 59 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, igr2= 926,927, &end # # 59 LYS QB 59 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, igr2= 929,930, &end # # 59 LYS QG 59 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, igr2= 929,930, &end # # 59 LYS QD 59 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 926,927, igr2= 929,930, &end # # 59 LYS H 60 THR H &rst iat= 916,938, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS HA 60 THR HA &rst iat= 918,940, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS HA 60 THR QG2 &rst iat= 918, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945,946, &end # # 59 LYS QB 60 THR H &rst iat= -1,938, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, &end # # 59 LYS QB 60 THR HA &rst iat= -1,940, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, &end # # 59 LYS QB 60 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, igr2= 944,945,946, &end # # 59 LYS QG 60 THR H &rst iat= -1,938, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, &end # # 59 LYS QD 60 THR H &rst iat= -1,938, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 926,927, &end # # 59 LYS QD 60 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 926,927, igr2= 944,945,946, &end # # 59 LYS QG 80 GLU HA &rst iat= -1,1249, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, &end # # 59 LYS HA 131 HIS HE1 &rst iat= 918,2025, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS QG 131 HIS HE1 &rst iat= -1,2025, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, &end # # 59 LYS HA 132 PHE QD &rst iat= 918, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 59 LYS HA 132 PHE QE &rst iat= 918, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 59 LYS QE 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2041,2049, &end # # 59 LYS QE 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2043,2047, &end # # 59 LYS H 134 TRP HH2 &rst iat= 916,2090, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS HA 134 TRP HZ3 &rst iat= 918,2092, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS HA 134 TRP HH2 &rst iat= 918,2090, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 LYS QB 134 TRP HZ3 &rst iat= -1,2092, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, &end # # 59 LYS QG 134 TRP HZ3 &rst iat= -1,2092, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, &end # # 59 LYS QG 134 TRP HH2 &rst iat= -1,2090, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, &end # # 59 LYS H 135 VAL QG &rst iat= 916, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 59 LYS HA 135 VAL QG &rst iat= 918, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 59 LYS QB 135 VAL HA &rst iat= -1,2101, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, &end # # 59 LYS QB 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, igr2= 2105,2106,2107,2109,2110,2111, &end # # 59 LYS QG 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, igr2= 2105,2106,2107,2109,2110,2111, &end # # 59 LYS QD 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 926,927, igr2= 2105,2106,2107,2109,2110,2111, &end # # 59 LYS QE 135 VAL HA &rst iat= -1,2101, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, &end # # 59 LYS QE 135 VAL HB &rst iat= -1,2103, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, &end # # 59 LYS QE 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2105,2106,2107,2109,2110,2111, &end # # 59 LYS QG 136 LYS H &rst iat= -1,2115, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 923,924, &end # # 59 LYS QE 136 LYS H &rst iat= -1,2115, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, &end # # 59 LYS QE 136 LYS HA &rst iat= -1,2117, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, &end # # 59 LYS QE 136 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2119,2120, &end # # 59 LYS QE 136 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2122,2123, &end # # 59 LYS QE 136 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2125,2126, &end # # 59 LYS QE 137 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2144,2145, &end # # 59 LYS QE 137 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 929,930, igr2= 2149,2150, &end # # 60 THR H 60 THR HB &rst iat= 938,942, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR H 60 THR QG2 &rst iat= 938, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945,946, &end # # 60 THR HA 60 THR QG2 &rst iat= 940, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945,946, &end # # 60 THR H 61 ALA H &rst iat= 938,952, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR H 61 ALA QB &rst iat= 938, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 60 THR HA 61 ALA H &rst iat= 940,952, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HA 61 ALA QB &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 60 THR HB 61 ALA H &rst iat= 942,952, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HB 61 ALA QB &rst iat= 942, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 60 THR QG2 61 ALA H &rst iat= -1,952, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR QG2 61 ALA HA &rst iat= -1,954, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR QG2 61 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 956,957,958, &end # # 60 THR H 62 TYR QE &rst iat= 938, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 60 THR HA 62 TYR QE &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 60 THR HB 62 TYR QD &rst iat= 942, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 970,979, &end # # 60 THR HB 62 TYR QE &rst iat= 942, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 60 THR QG2 62 TYR HA &rst iat= -1,964, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR QG2 62 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 972,977, &end # # 60 THR QG2 78 PRO HA &rst iat= -1,1227, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR QG2 78 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 1224,1225, &end # # 60 THR QG2 78 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 1221,1222, &end # # 60 THR HA 79 VAL H &rst iat= 940,1231, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HA 79 VAL HB &rst iat= 940,1235, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HA 79 VAL QG &rst iat= 940, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 60 THR QG2 79 VAL H &rst iat= -1,1231, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR QG2 79 VAL HA &rst iat= -1,1233, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR QG2 79 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 1237,1238,1239,1241,1242,1243, &end # # 60 THR H 80 GLU HA &rst iat= 938,1249, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HA 80 GLU H &rst iat= 940,1247, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HA 80 GLU HA &rst iat= 940,1249, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HA 80 GLU QB &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1251,1252, &end # # 60 THR HA 80 GLU QG &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1254,1255, &end # # 60 THR HB 80 GLU HA &rst iat= 942,1249, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HB 80 GLU QG &rst iat= 942, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1254,1255, &end # # 60 THR QG2 80 GLU HA &rst iat= -1,1249, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR QG2 80 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 1251,1252, &end # # 60 THR QG2 80 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 1254,1255, &end # # 60 THR HA 81 GLN H &rst iat= 940,1262, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR QG2 81 GLN H &rst iat= -1,1262, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 60 THR HA 131 HIS HE1 &rst iat= 940,2025, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HB 131 HIS HE1 &rst iat= 942,2025, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR HA 132 PHE QE &rst iat= 940, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 60 THR HA 132 PHE HZ &rst iat= 940,2045, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 THR QG2 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, igr2= 2043,2047, &end # # 60 THR QG2 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945,946, &end # # 61 ALA H 61 ALA QB &rst iat= 952, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 956,957,958, &end # # 61 ALA H 62 TYR H &rst iat= 952,962, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ALA H 62 TYR QE &rst iat= 952, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 61 ALA HA 62 TYR QD &rst iat= 954, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 970,979, &end # # 61 ALA HA 62 TYR QE &rst iat= 954, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 972,977, &end # # 61 ALA QB 62 TYR H &rst iat= -1,962, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA QB 62 TYR HA &rst iat= -1,964, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA QB 62 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 966,967, &end # # 61 ALA QB 62 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 970,979, &end # # 61 ALA QB 63 ILE H &rst iat= -1,983, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA QB 63 ILE HA &rst iat= -1,985, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA QB 63 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 993,994, &end # # 61 ALA QB 63 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.904, r4= 6.624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 996,997,998, &end # # 61 ALA H 78 PRO HA &rst iat= 952,1227, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ALA QB 78 PRO HA &rst iat= -1,1227, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA H 79 VAL H &rst iat= 952,1231, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ALA H 79 VAL QG &rst iat= 952, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 61 ALA H 80 GLU H &rst iat= 952,1247, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ALA QB 80 GLU HA &rst iat= -1,1249, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA H 128 LEU QD &rst iat= 952, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 61 ALA QB 128 LEU HA &rst iat= -1,1970, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA QB 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 1972,1973, &end # # 61 ALA QB 128 LEU HG &rst iat= -1,1975, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA QB 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 1977,1978,1979,1981,1982,1983, &end # # 61 ALA QB 131 HIS HE1 &rst iat= -1,2025, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA H 132 PHE HZ &rst iat= 952,2045, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ALA QB 132 PHE H &rst iat= -1,2033, r1= 0, r2= 0, r3= 7.08, r4= 7.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 61 ALA QB 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 2041,2049, &end # # 61 ALA QB 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, igr2= 2043,2047, &end # # 61 ALA QB 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 956,957,958, &end # # 62 TYR H 62 TYR QD &rst iat= 962, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 970,979, &end # # 62 TYR HA 62 TYR QD &rst iat= 964, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 970,979, &end # # 62 TYR H 63 ILE H &rst iat= 962,983, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 TYR H 63 ILE QD1 &rst iat= 962, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 62 TYR HA 63 ILE HB &rst iat= 964,987, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 TYR HA 63 ILE QG1 &rst iat= 964, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 993,994, &end # # 62 TYR HA 63 ILE QG2 &rst iat= 964, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990,991, &end # # 62 TYR HA 63 ILE QD1 &rst iat= 964, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 62 TYR QB 63 ILE H &rst iat= -1,983, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 TYR QB 63 ILE HB &rst iat= -1,987, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 TYR QB 63 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, igr2= 996,997,998, &end # # 62 TYR QD 63 ILE H &rst iat= -1,983, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, &end # # 62 TYR H 64 LYS H &rst iat= 962,1002, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 TYR H 64 LYS QG &rst iat= 962, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1009,1010, &end # # 62 TYR QB 64 LYS H &rst iat= -1,1002, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 TYR QB 64 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, igr2= 1015,1016, &end # # 62 TYR QD 64 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, igr2= 1012,1013, &end # # 62 TYR QD 64 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, igr2= 1015,1016, &end # # 62 TYR HA 77 ALA H &rst iat= 964,1207, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 TYR QB 77 ALA H &rst iat= -1,1207, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 TYR QD 77 ALA HA &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, &end # # 62 TYR HA 78 PRO HA &rst iat= 964,1227, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 TYR HA 78 PRO QB &rst iat= 964, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1224,1225, &end # # 62 TYR QB 78 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, igr2= 1224,1225, &end # # 62 TYR QD 78 PRO HA &rst iat= -1,1227, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, &end # # 62 TYR QD 78 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, igr2= 1224,1225, &end # # 62 TYR QD 78 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, igr2= 1218,1219, &end # # 62 TYR QE 78 PRO HA &rst iat= -1,1227, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 972,977, &end # # 62 TYR QE 78 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 972,977, igr2= 1224,1225, &end # # 62 TYR QE 78 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 972,977, igr2= 1221,1222, &end # # 62 TYR QE 78 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 972,977, igr2= 1218,1219, &end # # 62 TYR H 79 VAL H &rst iat= 962,1231, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 TYR HA 79 VAL H &rst iat= 964,1231, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 TYR HA 79 VAL QG &rst iat= 964, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 62 TYR QB 79 VAL H &rst iat= -1,1231, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 TYR QB 79 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, igr2= 1237,1238,1239,1241,1242,1243, &end # # 62 TYR QD 79 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 970,979, igr2= 1237,1238,1239,1241,1242,1243, &end # # 62 TYR H 128 LEU QD &rst iat= 962, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 63 ILE H 63 ILE HB &rst iat= 983,987, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE H 63 ILE QG1 &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 993,994, &end # # 63 ILE H 63 ILE QG2 &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990,991, &end # # 63 ILE H 63 ILE QD1 &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 63 ILE HA 63 ILE QG2 &rst iat= 985, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990,991, &end # # 63 ILE HA 63 ILE QD1 &rst iat= 985, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 63 ILE HB 63 ILE QD1 &rst iat= 987, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 996,997,998, &end # # 63 ILE QG2 63 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 996,997,998, &end # # 63 ILE H 64 LYS H &rst iat= 983,1002, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE H 64 LYS HA &rst iat= 983,1004, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE H 64 LYS QG &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1009,1010, &end # # 63 ILE HB 64 LYS H &rst iat= 987,1002, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE HB 64 LYS HA &rst iat= 987,1004, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE QG2 64 LYS H &rst iat= -1,1002, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE QG2 64 LYS HA &rst iat= -1,1004, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE QD1 64 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1009,1010, &end # # 63 ILE QG2 65 LEU HA &rst iat= -1,1026, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE QG2 65 LEU HG &rst iat= -1,1031, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE QG2 65 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1033,1034,1035,1037,1038,1039, &end # # 63 ILE H 76 GLN HA &rst iat= 983,1192, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE QG2 76 GLN HA &rst iat= -1,1192, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE H 77 ALA H &rst iat= 983,1207, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE H 77 ALA QB &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1211,1212,1213, &end # # 63 ILE HB 77 ALA H &rst iat= 987,1207, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE HB 77 ALA QB &rst iat= 987, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1211,1212,1213, &end # # 63 ILE QG1 77 ALA H &rst iat= -1,1207, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, &end # # 63 ILE QG2 77 ALA H &rst iat= -1,1207, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE QG2 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1211,1212,1213, &end # # 63 ILE QD1 77 ALA H &rst iat= -1,1207, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, &end # # 63 ILE QD1 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.192, r4= 6.912, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1211,1212,1213, &end # # 63 ILE H 78 PRO HA &rst iat= 983,1227, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE H 78 PRO QB &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1224,1225, &end # # 63 ILE H 78 PRO QD &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1218,1219, &end # # 63 ILE H 79 VAL H &rst iat= 983,1231, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE H 79 VAL QG &rst iat= 983, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 63 ILE HA 79 VAL QG &rst iat= 985, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 63 ILE QG1 79 VAL HB &rst iat= -1,1235, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, &end # # 63 ILE QG1 79 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, igr2= 1237,1238,1239,1241,1242,1243, &end # # 63 ILE QD1 79 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1237,1238,1239,1241,1242,1243, &end # # 63 ILE HB 87 VAL HB &rst iat= 987,1354, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE HB 87 VAL QG &rst iat= 987, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 63 ILE QG1 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, igr2= 1356,1357,1358,1360,1361,1362, &end # # 63 ILE QG2 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.938, r4= 8.748, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1356,1357,1358,1360,1361,1362, &end # # 63 ILE QD1 87 VAL HA &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, &end # # 63 ILE QD1 87 VAL HB &rst iat= -1,1354, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, &end # # 63 ILE HA 99 ILE QD1 &rst iat= 985, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 63 ILE HB 99 ILE HB &rst iat= 987,1544, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ILE HB 99 ILE QD1 &rst iat= 987, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 63 ILE QG1 99 ILE HB &rst iat= -1,1544, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, &end # # 63 ILE QG2 99 ILE HB &rst iat= -1,1544, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE QG1 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, igr2= 1546,1547,1548, &end # # 63 ILE QG2 99 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1550,1551, &end # # 63 ILE QG2 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1546,1547,1548, &end # # 63 ILE QG2 99 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1553,1554,1555, &end # # 63 ILE QD1 99 ILE HB &rst iat= -1,1544, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, &end # # 63 ILE QD1 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1546,1547,1548, &end # # 63 ILE HB 113 ILE QD1 &rst iat= 987, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 63 ILE QG2 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.624, r4= 7.344, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1763,1764,1765, &end # # 63 ILE QG1 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, igr2= 1915,1923, &end # # 63 ILE QG2 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1915,1923, &end # # 63 ILE QG1 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, igr2= 1917,1921, &end # # 63 ILE QG2 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1917,1921, &end # # 63 ILE QD1 124 PHE HA &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, &end # # 63 ILE QD1 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1915,1923, &end # # 63 ILE QD1 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1917,1921, &end # # 63 ILE QD1 127 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1961,1962, &end # # 63 ILE H 128 LEU QD &rst iat= 983, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 63 ILE HB 128 LEU QD &rst iat= 987, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 63 ILE QG2 128 LEU HG &rst iat= -1,1975, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, &end # # 63 ILE QG1 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 993,994, igr2= 1977,1978,1979,1981,1982,1983, &end # # 63 ILE QG2 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.424, r4= 9.234, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990,991, igr2= 1977,1978,1979,1981,1982,1983, &end # # 63 ILE QD1 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, &end # # 63 ILE QD1 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1972,1973, &end # # 63 ILE QD1 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 996,997,998, igr2= 1977,1978,1979,1981,1982,1983, &end # # 64 LYS H 64 LYS QE &rst iat= 1002, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016, &end # # 64 LYS HA 64 LYS QG &rst iat= 1004, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1009,1010, &end # # 64 LYS HA 64 LYS QD &rst iat= 1004, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1012,1013, &end # # 64 LYS HA 64 LYS QE &rst iat= 1004, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016, &end # # 64 LYS QG 64 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1009,1010, igr2= 1015,1016, &end # # 64 LYS H 65 LEU H &rst iat= 1002,1024, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 LYS H 65 LEU HA &rst iat= 1002,1026, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 LYS H 65 LEU QD &rst iat= 1002, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 64 LYS HA 65 LEU QD &rst iat= 1004, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 64 LYS QB 65 LEU H &rst iat= -1,1024, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1006,1007, &end # # 64 LYS HA 73 LEU QD &rst iat= 1004, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 64 LYS QB 73 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1006,1007, igr2= 1150,1151,1152,1154,1155,1156, &end # # 64 LYS QG 73 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1009,1010, igr2= 1150,1151,1152,1154,1155,1156, &end # # 64 LYS QD 73 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1012,1013, igr2= 1150,1151,1152,1154,1155,1156, &end # # 64 LYS QE 73 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016, igr2= 1150,1151,1152,1154,1155,1156, &end # # 64 LYS HA 75 ALA H &rst iat= 1004,1180, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 LYS H 76 GLN HA &rst iat= 1002,1192, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 LYS HA 76 GLN HA &rst iat= 1004,1192, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 LYS HA 76 GLN QB &rst iat= 1004, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1194,1195, &end # # 64 LYS QG 76 GLN HA &rst iat= -1,1192, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1009,1010, &end # # 64 LYS QG 76 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1009,1010, igr2= 1194,1195, &end # # 64 LYS QD 76 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1012,1013, igr2= 1194,1195, &end # # 64 LYS QE 76 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016, igr2= 1194,1195, &end # # 64 LYS QE 76 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016, igr2= 1202,1203, &end # # 64 LYS HA 77 ALA H &rst iat= 1004,1207, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 65 LEU HG &rst iat= 1024,1031, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 65 LEU QD &rst iat= 1024, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU HA 65 LEU QD &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU QB 65 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, igr2= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU H 66 GLU H &rst iat= 1024,1043, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 66 GLU HA &rst iat= 1024,1045, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 66 GLU QG &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 65 LEU HA 66 GLU QB &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1047,1048, &end # # 65 LEU HA 66 GLU QG &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 65 LEU QB 66 GLU H &rst iat= -1,1043, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, &end # # 65 LEU QD 66 GLU H &rst iat= -1,1043, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU QD 66 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, igr2= 1050,1051, &end # # 65 LEU H 73 LEU HA &rst iat= 1024,1143, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 73 LEU QD &rst iat= 1024, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 65 LEU HA 73 LEU QD &rst iat= 1026, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 65 LEU QB 73 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, igr2= 1150,1151,1152,1154,1155,1156, &end # # 65 LEU H 74 PHE H &rst iat= 1024,1160, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 74 PHE QB &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 65 LEU H 74 PHE QD &rst iat= 1024, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 65 LEU HA 74 PHE H &rst iat= 1026,1160, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU HA 74 PHE QB &rst iat= 1026, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 65 LEU QB 74 PHE H &rst iat= -1,1160, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, &end # # 65 LEU QB 74 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, igr2= 1164,1165, &end # # 65 LEU QB 74 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, igr2= 1168,1176, &end # # 65 LEU QB 74 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, igr2= 1170,1174, &end # # 65 LEU HG 74 PHE QD &rst iat= 1031, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 65 LEU QD 74 PHE H &rst iat= -1,1160, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU QD 74 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, igr2= 1164,1165, &end # # 65 LEU QD 74 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, igr2= 1168,1176, &end # # 65 LEU QD 74 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, igr2= 1170,1174, &end # # 65 LEU QD 74 PHE HZ &rst iat= -1,1172, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU H 75 ALA H &rst iat= 1024,1180, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 75 ALA HA &rst iat= 1024,1182, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 75 ALA QB &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185,1186, &end # # 65 LEU HA 75 ALA H &rst iat= 1026,1180, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU QB 75 ALA H &rst iat= -1,1180, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, &end # # 65 LEU QB 75 ALA HA &rst iat= -1,1182, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, &end # # 65 LEU QB 75 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1028,1029, igr2= 1184,1185,1186, &end # # 65 LEU HG 75 ALA H &rst iat= 1031,1180, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU HG 75 ALA QB &rst iat= 1031, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185,1186, &end # # 65 LEU QD 75 ALA H &rst iat= -1,1180, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU QD 75 ALA HA &rst iat= -1,1182, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU QD 75 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, igr2= 1184,1185,1186, &end # # 65 LEU H 76 GLN H &rst iat= 1024,1190, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 76 GLN HA &rst iat= 1024,1192, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU H 76 GLN QB &rst iat= 1024, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1194,1195, &end # # 65 LEU QD 76 GLN H &rst iat= -1,1190, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU QD 76 GLN HA &rst iat= -1,1192, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, &end # # 65 LEU H 77 ALA H &rst iat= 1024,1207, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 LEU QD 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, igr2= 1763,1764,1765, &end # # 65 LEU HG 124 PHE QE &rst iat= 1031, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1917,1921, &end # # 65 LEU QD 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034,1035,1037,1038,1039, igr2= 1917,1921, &end # # 66 GLU H 66 GLU QG &rst iat= 1043, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 66 GLU HA 66 GLU QG &rst iat= 1045, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 66 GLU H 67 ASP H &rst iat= 1043,1058, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU H 67 ASP HA &rst iat= 1043,1060, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU QB 67 ASP H &rst iat= -1,1058, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, &end # # 66 GLU QG 67 ASP H &rst iat= -1,1058, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1050,1051, &end # # 66 GLU QB 71 GLY H &rst iat= -1,1119, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, &end # # 66 GLU QB 71 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, igr2= 1121,1122, &end # # 66 GLU QG 71 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1050,1051, igr2= 1121,1122, &end # # 66 GLU HA 72 GLU H &rst iat= 1045,1126, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU HA 72 GLU QB &rst iat= 1045, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1130,1131, &end # # 66 GLU QB 72 GLU H &rst iat= -1,1126, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, &end # # 66 GLU QB 72 GLU HA &rst iat= -1,1128, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, &end # # 66 GLU QB 72 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, igr2= 1130,1131, &end # # 66 GLU H 73 LEU HA &rst iat= 1043,1143, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU H 73 LEU QD &rst iat= 1043, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 66 GLU HA 73 LEU H &rst iat= 1045,1141, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU HA 73 LEU HA &rst iat= 1045,1143, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU HA 73 LEU QD &rst iat= 1045, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 66 GLU QB 73 LEU H &rst iat= -1,1141, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, &end # # 66 GLU QG 73 LEU H &rst iat= -1,1141, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1050,1051, &end # # 66 GLU QG 73 LEU HA &rst iat= -1,1143, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1050,1051, &end # # 66 GLU QG 73 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1050,1051, igr2= 1150,1151,1152,1154,1155,1156, &end # # 66 GLU HA 74 PHE H &rst iat= 1045,1160, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU HA 74 PHE QB &rst iat= 1045, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 66 GLU HA 75 ALA H &rst iat= 1045,1180, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP H 67 ASP QB &rst iat= 1058, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 67 ASP H 68 LYS HA &rst iat= 1058,1072, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP HA 68 LYS HA &rst iat= 1060,1072, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP HA 68 LYS QB &rst iat= 1060, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1074,1075, &end # # 67 ASP QB 68 LYS H &rst iat= -1,1070, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 ASP QB 68 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1074,1075, &end # # 67 ASP H 69 VAL H &rst iat= 1058,1092, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP H 69 VAL QG &rst iat= 1058, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1098,1099,1100,1102,1103,1104, &end # # 67 ASP HA 69 VAL H &rst iat= 1060,1092, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP HA 69 VAL QG &rst iat= 1060, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1098,1099,1100,1102,1103,1104, &end # # 67 ASP QB 69 VAL H &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 ASP QB 69 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1098,1099,1100,1102,1103,1104, &end # # 67 ASP H 70 SER H &rst iat= 1058,1108, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP QB 70 SER H &rst iat= -1,1108, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 ASP H 71 GLY H &rst iat= 1058,1119, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP H 71 GLY QA &rst iat= 1058, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1121,1122, &end # # 67 ASP HA 71 GLY H &rst iat= 1060,1119, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP QB 71 GLY H &rst iat= -1,1119, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 ASP QB 71 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1121,1122, &end # # 67 ASP H 72 GLU H &rst iat= 1058,1126, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP H 72 GLU HA &rst iat= 1058,1128, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP H 72 GLU QB &rst iat= 1058, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1130,1131, &end # # 67 ASP H 72 GLU QG &rst iat= 1058, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1133,1134, &end # # 67 ASP HA 72 GLU H &rst iat= 1060,1126, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP QB 72 GLU H &rst iat= -1,1126, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 67 ASP QB 72 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1130,1131, &end # # 67 ASP QB 72 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, igr2= 1133,1134, &end # # 67 ASP H 73 LEU H &rst iat= 1058,1141, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP H 73 LEU HA &rst iat= 1058,1143, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP H 73 LEU QD &rst iat= 1058, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 67 ASP H 74 PHE H &rst iat= 1058,1160, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 ASP QB 74 PHE H &rst iat= -1,1160, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 68 LYS H 68 LYS QE &rst iat= 1070, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1083,1084, &end # # 68 LYS HA 68 LYS QG &rst iat= 1072, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1077,1078, &end # # 68 LYS HA 68 LYS QD &rst iat= 1072, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1080,1081, &end # # 68 LYS HA 68 LYS QE &rst iat= 1072, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1083,1084, &end # # 68 LYS QB 68 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1074,1075, igr2= 1080,1081, &end # # 68 LYS QB 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1074,1075, igr2= 1083,1084, &end # # 68 LYS QG 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1077,1078, igr2= 1083,1084, &end # # 68 LYS H 69 VAL H &rst iat= 1070,1092, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 69 VAL HB &rst iat= 1070,1096, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 69 VAL QG &rst iat= 1070, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1098,1099,1100,1102,1103,1104, &end # # 68 LYS HA 69 VAL HA &rst iat= 1072,1094, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS HA 69 VAL QG &rst iat= 1072, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1098,1099,1100,1102,1103,1104, &end # # 68 LYS QB 69 VAL H &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1074,1075, &end # # 68 LYS QB 69 VAL HA &rst iat= -1,1094, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1074,1075, &end # # 68 LYS QB 69 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1074,1075, igr2= 1098,1099,1100,1102,1103,1104, &end # # 68 LYS QG 69 VAL H &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1077,1078, &end # # 68 LYS QG 69 VAL HA &rst iat= -1,1094, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1077,1078, &end # # 68 LYS QG 69 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1077,1078, igr2= 1098,1099,1100,1102,1103,1104, &end # # 68 LYS QD 69 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1080,1081, igr2= 1098,1099,1100,1102,1103,1104, &end # # 68 LYS H 70 SER H &rst iat= 1070,1108, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 71 GLY H &rst iat= 1070,1119, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 72 GLU H &rst iat= 1070,1126, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL H 69 VAL QG &rst iat= 1092, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1098,1099,1100,1102,1103,1104, &end # # 69 VAL HA 69 VAL QG &rst iat= 1094, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1098,1099,1100,1102,1103,1104, &end # # 69 VAL H 70 SER H &rst iat= 1092,1108, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL H 70 SER HA &rst iat= 1092,1110, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL H 70 SER QB &rst iat= 1092, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1112,1113, &end # # 69 VAL HA 70 SER HA &rst iat= 1094,1110, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL HA 70 SER QB &rst iat= 1094, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1112,1113, &end # # 69 VAL HB 70 SER H &rst iat= 1096,1108, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL HB 70 SER HA &rst iat= 1096,1110, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL HB 70 SER QB &rst iat= 1096, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1112,1113, &end # # 69 VAL QG 70 SER H &rst iat= -1,1108, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1098,1099,1100,1102,1103,1104, &end # # 69 VAL QG 70 SER HA &rst iat= -1,1110, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1098,1099,1100,1102,1103,1104, &end # # 69 VAL QG 70 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1098,1099,1100,1102,1103,1104, igr2= 1112,1113, &end # # 69 VAL H 71 GLY H &rst iat= 1092,1119, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL H 71 GLY QA &rst iat= 1092, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1121,1122, &end # # 69 VAL HB 71 GLY H &rst iat= 1096,1119, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL QG 71 GLY H &rst iat= -1,1119, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1098,1099,1100,1102,1103,1104, &end # # 69 VAL H 72 GLU H &rst iat= 1092,1126, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 VAL QG 72 GLU H &rst iat= -1,1126, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1098,1099,1100,1102,1103,1104, &end # # 69 VAL QG 72 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1098,1099,1100,1102,1103,1104, igr2= 1133,1134, &end # # 70 SER H 70 SER QB &rst iat= 1108, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1112,1113, &end # # 70 SER H 71 GLY H &rst iat= 1108,1119, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 SER H 71 GLY QA &rst iat= 1108, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1121,1122, &end # # 70 SER QB 71 GLY H &rst iat= -1,1119, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1112,1113, &end # # 70 SER H 72 GLU H &rst iat= 1108,1126, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 SER H 72 GLU QB &rst iat= 1108, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1130,1131, &end # # 70 SER H 72 GLU QG &rst iat= 1108, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1133,1134, &end # # 70 SER HA 72 GLU H &rst iat= 1110,1126, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 SER HA 72 GLU QG &rst iat= 1110, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1133,1134, &end # # 70 SER QB 72 GLU H &rst iat= -1,1126, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1112,1113, &end # # 70 SER QB 72 GLU HA &rst iat= -1,1128, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1112,1113, &end # # 70 SER QB 72 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1112,1113, igr2= 1130,1131, &end # # 70 SER QB 72 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1112,1113, igr2= 1133,1134, &end # # 71 GLY H 72 GLU QB &rst iat= 1119, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1130,1131, &end # # 71 GLY QA 72 GLU HA &rst iat= -1,1128, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1121,1122, &end # # 72 GLU H 72 GLU QB &rst iat= 1126, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1130,1131, &end # # 72 GLU H 72 GLU QG &rst iat= 1126, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1133,1134, &end # # 72 GLU HA 72 GLU QG &rst iat= 1128, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1133,1134, &end # # 72 GLU QB 72 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1130,1131, igr2= 1133,1134, &end # # 72 GLU H 73 LEU H &rst iat= 1126,1141, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 GLU H 73 LEU HA &rst iat= 1126,1143, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 GLU HA 73 LEU H &rst iat= 1128,1141, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 GLU HA 73 LEU HA &rst iat= 1128,1143, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 GLU HA 73 LEU QB &rst iat= 1128, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1145,1146, &end # # 72 GLU HA 73 LEU QD &rst iat= 1128, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 72 GLU QB 73 LEU H &rst iat= -1,1141, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1130,1131, &end # # 72 GLU QB 73 LEU HA &rst iat= -1,1143, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1130,1131, &end # # 72 GLU QB 73 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1130,1131, igr2= 1145,1146, &end # # 72 GLU QG 73 LEU H &rst iat= -1,1141, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1133,1134, &end # # 73 LEU H 73 LEU QB &rst iat= 1141, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1145,1146, &end # # 73 LEU H 73 LEU HG &rst iat= 1141,1148, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU H 73 LEU QD &rst iat= 1141, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU HA 73 LEU QD &rst iat= 1143, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU QB 73 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1145,1146, igr2= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU H 74 PHE H &rst iat= 1141,1160, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU H 74 PHE HA &rst iat= 1141,1162, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU HA 74 PHE HA &rst iat= 1143,1162, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU HA 74 PHE QB &rst iat= 1143, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1164,1165, &end # # 73 LEU HA 74 PHE QD &rst iat= 1143, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 73 LEU QB 74 PHE H &rst iat= -1,1160, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1145,1146, &end # # 73 LEU QB 74 PHE HA &rst iat= -1,1162, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1145,1146, &end # # 73 LEU HG 74 PHE H &rst iat= 1148,1160, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU QD 74 PHE H &rst iat= -1,1160, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU QD 74 PHE HA &rst iat= -1,1162, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU QD 74 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, igr2= 1164,1165, &end # # 73 LEU HA 75 ALA H &rst iat= 1143,1180, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU HG 75 ALA HA &rst iat= 1148,1182, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU QD 75 ALA H &rst iat= -1,1180, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU QD 75 ALA HA &rst iat= -1,1182, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU QD 75 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.614, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, igr2= 1184,1185,1186, &end # # 73 LEU QB 76 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1145,1146, igr2= 1202,1203, &end # # 73 LEU HG 76 GLN HA &rst iat= 1148,1192, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 LEU QD 76 GLN H &rst iat= -1,1190, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU QD 76 GLN HA &rst iat= -1,1192, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, &end # # 73 LEU QD 76 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, igr2= 1194,1195, &end # # 73 LEU QD 76 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, igr2= 1197,1198, &end # # 73 LEU QD 76 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1150,1151,1152,1154,1155,1156, igr2= 1202,1203, &end # # 74 PHE H 74 PHE QD &rst iat= 1160, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 74 PHE HA 74 PHE QD &rst iat= 1162, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1168,1176, &end # # 74 PHE HA 74 PHE QE &rst iat= 1162, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1170,1174, &end # # 74 PHE QD 74 PHE HZ &rst iat= -1,1172, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1168,1176, &end # # 74 PHE H 75 ALA H &rst iat= 1160,1180, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE H 75 ALA HA &rst iat= 1160,1182, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE H 75 ALA QB &rst iat= 1160, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185,1186, &end # # 74 PHE HA 75 ALA QB &rst iat= 1162, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185,1186, &end # # 74 PHE QB 75 ALA H &rst iat= -1,1180, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1164,1165, &end # # 74 PHE QB 75 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1164,1165, igr2= 1184,1185,1186, &end # # 74 PHE QD 75 ALA H &rst iat= -1,1180, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1168,1176, &end # # 74 PHE QD 75 ALA HA &rst iat= -1,1182, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1168,1176, &end # # 74 PHE QD 75 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1168,1176, igr2= 1184,1185,1186, &end # # 74 PHE QE 75 ALA H &rst iat= -1,1180, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1170,1174, &end # # 74 PHE QE 75 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1170,1174, igr2= 1184,1185,1186, &end # # 74 PHE HZ 75 ALA QB &rst iat= 1172, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185,1186, &end # # 74 PHE QE 101 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1170,1174, igr2= 1596,1597,1598, &end # # 74 PHE HZ 101 ILE QD1 &rst iat= 1172, -1, r1= 0, r2= 0, r3= 7.08, r4= 7.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 74 PHE QD 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1168,1176, igr2= 1737,1738,1739, &end # # 74 PHE QE 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1170,1174, igr2= 1730,1731,1732, &end # # 74 PHE QE 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1170,1174, igr2= 1737,1738,1739, &end # # 74 PHE HZ 111 ILE HB &rst iat= 1172,1728, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 PHE HZ 111 ILE QD1 &rst iat= 1172, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 75 ALA H 75 ALA QB &rst iat= 1180, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185,1186, &end # # 75 ALA H 76 GLN H &rst iat= 1180,1190, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ALA H 76 GLN HA &rst iat= 1180,1192, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ALA HA 76 GLN H &rst iat= 1182,1190, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ALA HA 76 GLN HA &rst iat= 1182,1192, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ALA HA 76 GLN QB &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1194,1195, &end # # 75 ALA HA 76 GLN QG &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1197,1198, &end # # 75 ALA QB 76 GLN H &rst iat= -1,1190, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, &end # # 75 ALA QB 76 GLN HA &rst iat= -1,1192, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, &end # # 75 ALA QB 76 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, igr2= 1194,1195, &end # # 75 ALA QB 76 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, igr2= 1197,1198, &end # # 75 ALA QB 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, igr2= 1211,1212,1213, &end # # 75 ALA QB 99 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.056, r4= 7.776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, igr2= 1553,1554,1555, &end # # 75 ALA HA 101 ILE HB &rst iat= 1182,1587, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ALA HA 101 ILE QG2 &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 75 ALA HA 101 ILE QD1 &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 75 ALA QB 101 ILE HA &rst iat= -1,1585, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, &end # # 75 ALA QB 101 ILE HB &rst iat= -1,1587, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, &end # # 75 ALA QB 101 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, igr2= 1593,1594, &end # # 75 ALA QB 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, igr2= 1589,1590,1591, &end # # 75 ALA QB 101 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, igr2= 1596,1597,1598, &end # # 75 ALA HA 102 GLN H &rst iat= 1182,1602, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ALA QB 102 GLN H &rst iat= -1,1602, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185,1186, &end # # 76 GLN H 76 GLN QG &rst iat= 1190, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1197,1198, &end # # 76 GLN H 76 GLN QE &rst iat= 1190, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1202,1203, &end # # 76 GLN QB 76 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.26144, r4= 3.88864, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1194,1195, igr2= 1197,1198, &end # # 76 GLN QB 76 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1194,1195, igr2= 1202,1203, &end # # 76 GLN H 77 ALA H &rst iat= 1190,1207, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 GLN H 77 ALA HA &rst iat= 1190,1209, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 GLN H 77 ALA QB &rst iat= 1190, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1211,1212,1213, &end # # 76 GLN HA 77 ALA H &rst iat= 1192,1207, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 GLN HA 77 ALA QB &rst iat= 1192, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1211,1212,1213, &end # # 76 GLN QB 77 ALA H &rst iat= -1,1207, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1194,1195, &end # # 76 GLN QB 77 ALA HA &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1194,1195, &end # # 76 GLN QB 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1194,1195, igr2= 1211,1212,1213, &end # # 76 GLN QG 77 ALA H &rst iat= -1,1207, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1197,1198, &end # # 76 GLN QG 77 ALA HA &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1197,1198, &end # # 76 GLN QG 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1197,1198, igr2= 1211,1212,1213, &end # # 76 GLN H 99 ILE QD1 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 76 GLN HA 99 ILE QD1 &rst iat= 1192, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 76 GLN H 101 ILE HB &rst iat= 1190,1587, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 GLN H 101 ILE QG2 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 76 GLN H 101 ILE QD1 &rst iat= 1190, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 76 GLN HA 101 ILE QG2 &rst iat= 1192, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 76 GLN QB 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1194,1195, igr2= 1589,1590,1591, &end # # 76 GLN QG 101 ILE HA &rst iat= -1,1585, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1197,1198, &end # # 76 GLN QG 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1197,1198, igr2= 1589,1590,1591, &end # # 76 GLN H 102 GLN H &rst iat= 1190,1602, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 GLN QG 102 GLN H &rst iat= -1,1602, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1197,1198, &end # # 77 ALA H 77 ALA QB &rst iat= 1207, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1211,1212,1213, &end # # 77 ALA H 78 PRO QD &rst iat= 1207, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1218,1219, &end # # 77 ALA HA 78 PRO QB &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1224,1225, &end # # 77 ALA HA 78 PRO QG &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1221,1222, &end # # 77 ALA HA 78 PRO QD &rst iat= 1209, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1218,1219, &end # # 77 ALA QB 78 PRO HA &rst iat= -1,1227, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 78 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1218,1219, &end # # 77 ALA QB 79 VAL H &rst iat= -1,1231, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 79 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1237,1238,1239,1241,1242,1243, &end # # 77 ALA QB 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.344, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1344,1345,1346, &end # # 77 ALA QB 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 87 VAL HB &rst iat= -1,1354, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.586, r4= 9.396, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1356,1357,1358,1360,1361,1362, &end # # 77 ALA H 99 ILE QG2 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 77 ALA H 99 ILE QD1 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 77 ALA HA 99 ILE QD1 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 77 ALA QB 99 ILE H &rst iat= -1,1540, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 99 ILE HA &rst iat= -1,1542, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 99 ILE HB &rst iat= -1,1544, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 99 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1550,1551, &end # # 77 ALA QB 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1546,1547,1548, &end # # 77 ALA QB 99 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1553,1554,1555, &end # # 77 ALA QB 100 ARG H &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 100 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1563,1564, &end # # 77 ALA QB 100 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1569,1570, &end # # 77 ALA H 101 ILE HA &rst iat= 1207,1585, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 101 ILE HB &rst iat= 1207,1587, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 101 ILE QG2 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 77 ALA HA 101 ILE HA &rst iat= 1209,1585, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 101 ILE HB &rst iat= 1209,1587, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 101 ILE QG2 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 77 ALA HA 101 ILE QD1 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 77 ALA QB 101 ILE H &rst iat= -1,1583, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 101 ILE HA &rst iat= -1,1585, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 77 ALA QB 101 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1593,1594, &end # # 77 ALA QB 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1589,1590,1591, &end # # 77 ALA QB 101 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, igr2= 1596,1597,1598, &end # # 77 ALA H 102 GLN H &rst iat= 1207,1602, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 102 GLN H &rst iat= 1209,1602, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 102 GLN QB &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1606,1607, &end # # 77 ALA QB 102 GLN H &rst iat= -1,1602, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212,1213, &end # # 78 PRO HA 79 VAL H &rst iat= 1227,1231, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 PRO HA 79 VAL QG &rst iat= 1227, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 78 PRO QB 79 VAL H &rst iat= -1,1231, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1224,1225, &end # # 78 PRO QB 79 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1224,1225, igr2= 1237,1238,1239,1241,1242,1243, &end # # 78 PRO QG 79 VAL H &rst iat= -1,1231, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1221,1222, &end # # 78 PRO QB 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1224,1225, igr2= 1344,1345,1346, &end # # 78 PRO QG 100 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1221,1222, igr2= 1569,1570, &end # # 78 PRO QD 101 ILE HA &rst iat= -1,1585, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1218,1219, &end # # 78 PRO QD 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1218,1219, igr2= 1589,1590,1591, &end # # 78 PRO QD 102 GLN H &rst iat= -1,1602, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1218,1219, &end # # 78 PRO QD 102 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1218,1219, igr2= 1606,1607, &end # # 79 VAL H 79 VAL HB &rst iat= 1231,1235, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL H 79 VAL QG &rst iat= 1231, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL HA 79 VAL QG &rst iat= 1233, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL H 80 GLU H &rst iat= 1231,1247, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HA 80 GLU H &rst iat= 1233,1247, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HA 80 GLU QB &rst iat= 1233, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1251,1252, &end # # 79 VAL HA 80 GLU QG &rst iat= 1233, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1254,1255, &end # # 79 VAL QG 80 GLU H &rst iat= -1,1247, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 80 GLU HA &rst iat= -1,1249, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 80 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1251,1252, &end # # 79 VAL QG 80 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.6184, r4= 9.3744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1254,1255, &end # # 79 VAL H 81 GLN H &rst iat= 1231,1262, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HA 81 GLN H &rst iat= 1233,1262, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HB 81 GLN H &rst iat= 1235,1262, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HB 81 GLN QE &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1274,1275, &end # # 79 VAL QG 81 GLN H &rst iat= -1,1262, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 81 GLN HA &rst iat= -1,1264, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 81 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1274,1275, &end # # 79 VAL QG 82 TYR H &rst iat= -1,1279, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 82 TYR HA &rst iat= -1,1281, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 82 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1283,1284, &end # # 79 VAL QG 82 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1287,1296, &end # # 79 VAL QG 82 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1289,1294, &end # # 79 VAL QG 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 85 ILE H &rst iat= -1,1321, r1= 0, r2= 0, r3= 7.695, r4= 8.37, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 85 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.396, r4= 10.206, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1327,1328,1329, &end # # 79 VAL H 86 ALA QB &rst iat= 1231, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 79 VAL HA 86 ALA QB &rst iat= 1233, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 79 VAL HB 86 ALA QB &rst iat= 1235, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 79 VAL QG 86 ALA H &rst iat= -1,1340, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 86 ALA HA &rst iat= -1,1342, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1344,1345,1346, &end # # 79 VAL HA 87 VAL QG &rst iat= 1233, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 79 VAL HB 87 VAL H &rst iat= 1235,1350, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HB 87 VAL HB &rst iat= 1235,1354, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HB 87 VAL QG &rst iat= 1235, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 79 VAL QG 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 87 VAL HA &rst iat= -1,1352, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 87 VAL HB &rst iat= -1,1354, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1356,1357,1358,1360,1361,1362, &end # # 79 VAL HB 128 LEU QD &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 79 VAL QG 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1972,1973, &end # # 79 VAL QG 128 LEU HG &rst iat= -1,1975, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 79 VAL QG 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.83675, r4= 8.748, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 1977,1978,1979,1981,1982,1983, &end # # 79 VAL HA 132 PHE HZ &rst iat= 1233,2045, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 VAL HB 132 PHE QE &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 79 VAL QG 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 2041,2049, &end # # 79 VAL QG 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, igr2= 2043,2047, &end # # 79 VAL QG 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1237,1238,1239,1241,1242,1243, &end # # 80 GLU H 80 GLU QB &rst iat= 1247, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1251,1252, &end # # 80 GLU HA 80 GLU QG &rst iat= 1249, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1254,1255, &end # # 80 GLU H 81 GLN H &rst iat= 1247,1262, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 GLU H 81 GLN HA &rst iat= 1247,1264, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 GLU H 81 GLN QG &rst iat= 1247, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1269,1270, &end # # 80 GLU H 81 GLN QE &rst iat= 1247, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1274,1275, &end # # 80 GLU HA 81 GLN HA &rst iat= 1249,1264, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 GLU QB 81 GLN H &rst iat= -1,1262, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1251,1252, &end # # 80 GLU QB 81 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1251,1252, igr2= 1274,1275, &end # # 80 GLU H 85 ILE QG2 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1327,1328,1329, &end # # 80 GLU H 86 ALA QB &rst iat= 1247, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 80 GLU HA 86 ALA QB &rst iat= 1249, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 80 GLU QB 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1251,1252, igr2= 1344,1345,1346, &end # # 80 GLU H 87 VAL QG &rst iat= 1247, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 80 GLU H 132 PHE HZ &rst iat= 1247,2045, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 GLU HA 132 PHE QD &rst iat= 1249, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 80 GLU HA 132 PHE QE &rst iat= 1249, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 80 GLU HA 132 PHE HZ &rst iat= 1249,2045, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 GLU QB 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1251,1252, igr2= 2043,2047, &end # # 80 GLU QB 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1251,1252, &end # # 80 GLU QG 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1254,1255, igr2= 2043,2047, &end # # 80 GLU QG 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1254,1255, &end # # 81 GLN H 81 GLN QB &rst iat= 1262, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1266,1267, &end # # 81 GLN H 81 GLN QE &rst iat= 1262, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1274,1275, &end # # 81 GLN HA 81 GLN QE &rst iat= 1264, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1274,1275, &end # # 81 GLN QB 81 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.40096, r4= 8.02816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1266,1267, igr2= 1274,1275, &end # # 81 GLN H 82 TYR H &rst iat= 1262,1279, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLN H 82 TYR HA &rst iat= 1262,1281, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLN H 82 TYR QB &rst iat= 1262, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1283,1284, &end # # 81 GLN HA 82 TYR H &rst iat= 1264,1279, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLN HA 82 TYR HA &rst iat= 1264,1281, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLN HA 82 TYR QB &rst iat= 1264, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1283,1284, &end # # 81 GLN QB 82 TYR H &rst iat= -1,1279, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1266,1267, &end # # 81 GLN QE 82 TYR H &rst iat= -1,1279, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1274,1275, &end # # 81 GLN QE 82 TYR HA &rst iat= -1,1281, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1274,1275, &end # # 81 GLN QB 84 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1266,1267, igr2= 1316,1317, &end # # 81 GLN QE 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1274,1275, &end # # 81 GLN QE 84 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1274,1275, igr2= 1316,1317, &end # # 81 GLN H 85 ILE QG2 &rst iat= 1262, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1327,1328,1329, &end # # 81 GLN QE 85 ILE H &rst iat= -1,1321, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1274,1275, &end # # 81 GLN H 86 ALA H &rst iat= 1262,1340, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLN H 86 ALA QB &rst iat= 1262, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 81 GLN QB 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1266,1267, igr2= 1344,1345,1346, &end # # 81 GLN H 87 VAL QG &rst iat= 1262, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 81 GLN QE 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1274,1275, &end # # 81 GLN H 132 PHE HZ &rst iat= 1262,2045, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLN HA 132 PHE QD &rst iat= 1264, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 81 GLN HA 132 PHE QE &rst iat= 1264, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 81 GLN HA 132 PHE HZ &rst iat= 1264,2045, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLN QB 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1266,1267, igr2= 2043,2047, &end # # 81 GLN QB 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1266,1267, &end # # 81 GLN QE 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1274,1275, &end # # 82 TYR H 82 TYR QB &rst iat= 1279, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1283,1284, &end # # 82 TYR H 82 TYR QD &rst iat= 1279, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1296, &end # # 82 TYR HA 82 TYR QD &rst iat= 1281, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1296, &end # # 82 TYR HA 82 TYR QE &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1289,1294, &end # # 82 TYR H 83 PRO QD &rst iat= 1279, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1301,1302, &end # # 82 TYR HA 83 PRO HA &rst iat= 1281,1310, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 TYR HA 83 PRO QB &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1307,1308, &end # # 82 TYR HA 83 PRO QG &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1304,1305, &end # # 82 TYR QB 83 PRO HA &rst iat= -1,1310, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, &end # # 82 TYR QB 83 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, igr2= 1301,1302, &end # # 82 TYR QD 83 PRO HA &rst iat= -1,1310, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 83 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1307,1308, &end # # 82 TYR QD 83 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1301,1302, &end # # 82 TYR QE 83 PRO HA &rst iat= -1,1310, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR H 84 GLY H &rst iat= 1279,1314, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 TYR HA 84 GLY H &rst iat= 1281,1314, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 TYR HA 84 GLY QA &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1316,1317, &end # # 82 TYR QB 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, &end # # 82 TYR QD 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 84 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1316,1317, &end # # 82 TYR QE 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QB 87 VAL HB &rst iat= -1,1354, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, &end # # 82 TYR QB 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.6184, r4= 9.3744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, igr2= 1356,1357,1358,1360,1361,1362, &end # # 82 TYR QD 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 87 VAL HB &rst iat= -1,1354, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1356,1357,1358,1360,1361,1362, &end # # 82 TYR QE 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QE 87 VAL HB &rst iat= -1,1354, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QE 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1356,1357,1358,1360,1361,1362, &end # # 82 TYR QE 88 GLU HA &rst iat= -1,1368, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QE 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1917,1921, &end # # 82 TYR QD 125 ASN HA &rst iat= -1,1929, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 125 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1931,1932, &end # # 82 TYR QE 125 ASN HA &rst iat= -1,1929, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QE 125 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1931,1932, &end # # 82 TYR QE 125 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1936,1937, &end # # 82 TYR HA 128 LEU QB &rst iat= 1281, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1972,1973, &end # # 82 TYR QB 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, igr2= 1977,1978,1979,1981,1982,1983, &end # # 82 TYR QD 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1972,1973, &end # # 82 TYR QD 128 LEU HG &rst iat= -1,1975, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1977,1978,1979,1981,1982,1983, &end # # 82 TYR QE 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QE 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1972,1973, &end # # 82 TYR QE 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1977,1978,1979,1981,1982,1983, &end # # 82 TYR QD 129 GLN H &rst iat= -1,1987, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 129 GLN HA &rst iat= -1,1989, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, &end # # 82 TYR QD 129 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 1994,1995, &end # # 82 TYR QE 129 GLN H &rst iat= -1,1987, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QE 129 GLN HA &rst iat= -1,1989, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, &end # # 82 TYR QE 129 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1991,1992, &end # # 82 TYR QE 129 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1994,1995, &end # # 82 TYR QE 129 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1294, igr2= 1999,2000, &end # # 82 TYR H 132 PHE QB &rst iat= 1279, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2037,2038, &end # # 82 TYR H 132 PHE HZ &rst iat= 1279,2045, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 TYR HA 132 PHE QD &rst iat= 1281, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 82 TYR HA 132 PHE QE &rst iat= 1281, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 82 TYR QB 132 PHE H &rst iat= -1,2033, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, &end # # 82 TYR QB 132 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, igr2= 2037,2038, &end # # 82 TYR QB 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, igr2= 2041,2049, &end # # 82 TYR QB 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, igr2= 2043,2047, &end # # 82 TYR QB 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1283,1284, &end # # 82 TYR QD 132 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 2037,2038, &end # # 82 TYR QD 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 2041,2049, &end # # 82 TYR QD 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1296, igr2= 2043,2047, &end # # 83 PRO HA 84 GLY H &rst iat= 1310,1314, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 PRO HA 84 GLY QA &rst iat= 1310, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1316,1317, &end # # 83 PRO QB 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1307,1308, &end # # 83 PRO QB 84 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1307,1308, igr2= 1316,1317, &end # # 83 PRO QG 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1304,1305, &end # # 83 PRO QD 84 GLY H &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1301,1302, &end # # 83 PRO HA 87 VAL H &rst iat= 1310,1350, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 PRO HA 87 VAL QG &rst iat= 1310, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 83 PRO QB 88 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1307,1308, igr2= 1373,1374, &end # # 84 GLY H 85 ILE H &rst iat= 1314,1321, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 GLY H 85 ILE QG2 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1327,1328,1329, &end # # 84 GLY QA 85 ILE H &rst iat= -1,1321, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, &end # # 84 GLY QA 85 ILE HA &rst iat= -1,1323, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, &end # # 84 GLY QA 85 ILE HB &rst iat= -1,1325, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, &end # # 84 GLY QA 85 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, igr2= 1327,1328,1329, &end # # 84 GLY QA 85 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, igr2= 1334,1335,1336, &end # # 84 GLY H 86 ALA H &rst iat= 1314,1340, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 GLY QA 86 ALA H &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, &end # # 84 GLY H 87 VAL H &rst iat= 1314,1350, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 GLY H 87 VAL HB &rst iat= 1314,1354, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 GLY H 87 VAL QG &rst iat= 1314, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 84 GLY QA 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, &end # # 84 GLY QA 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, igr2= 1356,1357,1358,1360,1361,1362, &end # # 84 GLY H 88 GLU HA &rst iat= 1314,1368, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 GLY H 88 GLU QG &rst iat= 1314, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1373,1374, &end # # 85 ILE H 85 ILE HB &rst iat= 1321,1325, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE H 85 ILE QG1 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1331,1332, &end # # 85 ILE H 85 ILE QG2 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1327,1328,1329, &end # # 85 ILE H 85 ILE QD1 &rst iat= 1321, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1334,1335,1336, &end # # 85 ILE HA 85 ILE QG1 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1331,1332, &end # # 85 ILE HA 85 ILE QG2 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1327,1328,1329, &end # # 85 ILE HA 85 ILE QD1 &rst iat= 1323, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1334,1335,1336, &end # # 85 ILE HB 85 ILE QD1 &rst iat= 1325, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1334,1335,1336, &end # # 85 ILE QG2 85 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, igr2= 1331,1332, &end # # 85 ILE H 86 ALA H &rst iat= 1321,1340, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE H 86 ALA HA &rst iat= 1321,1342, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE H 86 ALA QB &rst iat= 1321, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 85 ILE HA 86 ALA QB &rst iat= 1323, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 85 ILE HB 86 ALA H &rst iat= 1325,1340, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE HB 86 ALA QB &rst iat= 1325, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 85 ILE QG1 86 ALA H &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, &end # # 85 ILE QG2 86 ALA H &rst iat= -1,1340, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, &end # # 85 ILE QG1 86 ALA HA &rst iat= -1,1342, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, &end # # 85 ILE QG2 86 ALA HA &rst iat= -1,1342, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, &end # # 85 ILE QG1 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, igr2= 1344,1345,1346, &end # # 85 ILE QG2 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.768, r4= 7.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, igr2= 1344,1345,1346, &end # # 85 ILE QD1 86 ALA H &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, &end # # 85 ILE QD1 86 ALA HA &rst iat= -1,1342, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, &end # # 85 ILE H 87 VAL H &rst iat= 1321,1350, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE H 87 VAL QG &rst iat= 1321, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 85 ILE HA 87 VAL H &rst iat= 1323,1350, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE HB 87 VAL H &rst iat= 1325,1350, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE QG1 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, &end # # 85 ILE QG2 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, &end # # 85 ILE HA 88 GLU H &rst iat= 1323,1366, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ILE HA 88 GLU QG &rst iat= 1323, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1373,1374, &end # # 85 ILE HB 88 GLU QG &rst iat= 1325, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1373,1374, &end # # 85 ILE QD1 88 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, igr2= 1373,1374, &end # # 85 ILE QG2 100 ARG H &rst iat= -1,1559, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, &end # # 85 ILE QG2 100 ARG HA &rst iat= -1,1561, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, &end # # 85 ILE QG1 100 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, igr2= 1563,1564, &end # # 85 ILE QG2 100 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.9296, r4= 8.6016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, igr2= 1563,1564, &end # # 85 ILE QG2 100 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, igr2= 1569,1570, &end # # 85 ILE QD1 100 ARG H &rst iat= -1,1559, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, &end # # 85 ILE QD1 100 ARG HA &rst iat= -1,1561, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, &end # # 85 ILE QD1 100 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, igr2= 1563,1564, &end # # 85 ILE QD1 100 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, igr2= 1569,1570, &end # # 85 ILE QG1 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, igr2= 1712,1720, &end # # 85 ILE QG2 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, igr2= 1712,1720, &end # # 85 ILE QG1 110 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, igr2= 1714,1718, &end # # 85 ILE QG2 110 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, igr2= 1714,1718, &end # # 85 ILE QG1 110 PHE HZ &rst iat= -1,1716, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1331,1332, &end # # 85 ILE QG2 110 PHE HZ &rst iat= -1,1716, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1327,1328,1329, &end # # 85 ILE QD1 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, igr2= 1712,1720, &end # # 85 ILE QD1 110 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, igr2= 1714,1718, &end # # 85 ILE QD1 110 PHE HZ &rst iat= -1,1716, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1334,1335,1336, &end # # 86 ALA H 86 ALA QB &rst iat= 1340, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345,1346, &end # # 86 ALA H 87 VAL H &rst iat= 1340,1350, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA H 87 VAL HA &rst iat= 1340,1352, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA H 87 VAL HB &rst iat= 1340,1354, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA HA 87 VAL QG &rst iat= 1342, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 86 ALA QB 87 VAL H &rst iat= -1,1350, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, &end # # 86 ALA QB 87 VAL HA &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, &end # # 86 ALA QB 87 VAL HB &rst iat= -1,1354, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, &end # # 86 ALA QB 87 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.994, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, igr2= 1356,1357,1358,1360,1361,1362, &end # # 86 ALA H 99 ILE HA &rst iat= 1340,1542, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA HA 99 ILE HA &rst iat= 1342,1542, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA HA 99 ILE HB &rst iat= 1342,1544, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA QB 99 ILE HA &rst iat= -1,1542, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, &end # # 86 ALA QB 99 ILE HB &rst iat= -1,1544, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, &end # # 86 ALA QB 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, igr2= 1546,1547,1548, &end # # 86 ALA H 100 ARG H &rst iat= 1340,1559, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA HA 100 ARG H &rst iat= 1342,1559, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA HA 100 ARG QB &rst iat= 1342, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1563,1564, &end # # 86 ALA HA 100 ARG QD &rst iat= 1342, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1569,1570, &end # # 86 ALA QB 100 ARG H &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, &end # # 86 ALA QB 100 ARG HA &rst iat= -1,1561, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, &end # # 86 ALA QB 100 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, igr2= 1563,1564, &end # # 86 ALA HA 101 ILE H &rst iat= 1342,1583, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA QB 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.352, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, igr2= 1589,1590,1591, &end # # 86 ALA HA 110 PHE QD &rst iat= 1342, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 86 ALA HA 110 PHE QE &rst iat= 1342, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1714,1718, &end # # 86 ALA QB 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.558, r4= 10.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345,1346, igr2= 1977,1978,1979,1981,1982,1983, &end # # 87 VAL H 87 VAL HB &rst iat= 1350,1354, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL H 87 VAL QG &rst iat= 1350, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL HA 87 VAL QG &rst iat= 1352, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL H 88 GLU H &rst iat= 1350,1366, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL H 88 GLU HA &rst iat= 1350,1368, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL H 88 GLU QB &rst iat= 1350, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1370,1371, &end # # 87 VAL H 88 GLU QG &rst iat= 1350, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1373,1374, &end # # 87 VAL HA 88 GLU H &rst iat= 1352,1366, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL HA 88 GLU HA &rst iat= 1352,1368, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL HA 88 GLU QB &rst iat= 1352, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1370,1371, &end # # 87 VAL HB 88 GLU H &rst iat= 1354,1366, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL QG 88 GLU H &rst iat= -1,1366, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL QG 88 GLU HA &rst iat= -1,1368, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL QG 88 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1370,1371, &end # # 87 VAL QG 88 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.9208, r4= 9.6768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1373,1374, &end # # 87 VAL QG 89 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1387,1388,1389, &end # # 87 VAL QG 97 PHE HA &rst iat= -1,1506, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL QG 97 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1508,1509, &end # # 87 VAL QG 97 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1512,1520, &end # # 87 VAL QG 97 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1514,1518, &end # # 87 VAL QG 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.935, r4= 11.8463, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1530,1531,1532,1534,1535,1536, &end # # 87 VAL H 99 ILE HA &rst iat= 1350,1542, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL H 99 ILE QG2 &rst iat= 1350, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 87 VAL HA 99 ILE HA &rst iat= 1352,1542, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL HA 99 ILE HB &rst iat= 1352,1544, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL HA 99 ILE QG2 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 87 VAL HA 99 ILE QD1 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 87 VAL HB 99 ILE QG2 &rst iat= 1354, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 87 VAL HB 99 ILE QD1 &rst iat= 1354, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 87 VAL QG 99 ILE HA &rst iat= -1,1542, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL QG 99 ILE HB &rst iat= -1,1544, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL QG 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.966, r4= 7.776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1546,1547,1548, &end # # 87 VAL QG 99 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.424, r4= 9.234, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1553,1554,1555, &end # # 87 VAL H 100 ARG H &rst iat= 1350,1559, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL HA 100 ARG H &rst iat= 1352,1559, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 VAL HA 124 PHE QE &rst iat= 1352, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1917,1921, &end # # 87 VAL QG 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1915,1923, &end # # 87 VAL QG 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1917,1921, &end # # 87 VAL QG 125 ASN H &rst iat= -1,1927, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL HA 128 LEU QD &rst iat= 1352, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 87 VAL HB 128 LEU QD &rst iat= 1354, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 87 VAL QG 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL QG 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1972,1973, &end # # 87 VAL QG 128 LEU HG &rst iat= -1,1975, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, &end # # 87 VAL QG 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6545, r4= 8.56575, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358,1360,1361,1362, igr2= 1977,1978,1979,1981,1982,1983, &end # # 88 GLU H 88 GLU QB &rst iat= 1366, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1370,1371, &end # # 88 GLU H 88 GLU QG &rst iat= 1366, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1373,1374, &end # # 88 GLU HA 88 GLU QG &rst iat= 1368, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1373,1374, &end # # 88 GLU H 89 THR H &rst iat= 1366,1381, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU HA 89 THR H &rst iat= 1368,1381, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU HA 89 THR HA &rst iat= 1368,1383, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU HA 89 THR QG2 &rst iat= 1368, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1387,1388,1389, &end # # 88 GLU QB 89 THR H &rst iat= -1,1381, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1370,1371, &end # # 88 GLU QB 89 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1370,1371, igr2= 1387,1388,1389, &end # # 88 GLU QG 89 THR H &rst iat= -1,1381, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1373,1374, &end # # 88 GLU QB 90 VAL H &rst iat= -1,1395, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1370,1371, &end # # 88 GLU QB 90 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1370,1371, igr2= 1401,1402,1403,1405,1406,1407, &end # # 88 GLU H 97 PHE QB &rst iat= 1366, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1508,1509, &end # # 88 GLU H 97 PHE QD &rst iat= 1366, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1512,1520, &end # # 88 GLU HA 97 PHE HA &rst iat= 1368,1506, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 98 VAL H &rst iat= 1366,1524, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 98 VAL HB &rst iat= 1366,1528, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 98 VAL QG &rst iat= 1366, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 88 GLU HA 98 VAL H &rst iat= 1368,1524, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU QB 98 VAL H &rst iat= -1,1524, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1370,1371, &end # # 88 GLU QB 98 VAL HB &rst iat= -1,1528, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1370,1371, &end # # 88 GLU QB 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1370,1371, igr2= 1530,1531,1532,1534,1535,1536, &end # # 88 GLU QG 98 VAL HB &rst iat= -1,1528, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1373,1374, &end # # 88 GLU QG 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1373,1374, igr2= 1530,1531,1532,1534,1535,1536, &end # # 88 GLU H 99 ILE H &rst iat= 1366,1540, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 99 ILE HA &rst iat= 1366,1542, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 99 ILE QG2 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 88 GLU H 100 ARG H &rst iat= 1366,1559, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR H 89 THR HB &rst iat= 1381,1385, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR HA 89 THR QG2 &rst iat= 1383, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1387,1388,1389, &end # # 89 THR H 90 VAL H &rst iat= 1381,1395, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR H 90 VAL QG &rst iat= 1381, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 89 THR HA 90 VAL H &rst iat= 1383,1395, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR HA 90 VAL HA &rst iat= 1383,1397, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR HA 90 VAL QG &rst iat= 1383, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 89 THR HB 90 VAL H &rst iat= 1385,1395, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR HB 90 VAL QG &rst iat= 1385, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 89 THR QG2 90 VAL H &rst iat= -1,1395, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 90 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1401,1402,1403,1405,1406,1407, &end # # 89 THR H 91 THR HA &rst iat= 1381,1413, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR HB 91 THR H &rst iat= 1385,1411, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR QG2 91 THR H &rst iat= -1,1411, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.208, r4= 8.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1417,1418,1419, &end # # 89 THR HB 92 ASP H &rst iat= 1385,1425, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR QG2 92 ASP H &rst iat= -1,1425, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 92 ASP HA &rst iat= -1,1427, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 92 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1429,1430, &end # # 89 THR QG2 93 SER H &rst iat= -1,1437, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 94 SER HA &rst iat= -1,1450, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 96 TYR H &rst iat= -1,1483, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 96 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1487,1488, &end # # 89 THR QG2 96 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.9296, r4= 8.6016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1491,1500, &end # # 89 THR H 97 PHE QD &rst iat= 1381, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1512,1520, &end # # 89 THR H 97 PHE QE &rst iat= 1381, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1514,1518, &end # # 89 THR HA 97 PHE HA &rst iat= 1383,1506, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR HA 97 PHE QD &rst iat= 1383, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1512,1520, &end # # 89 THR HB 97 PHE HA &rst iat= 1385,1506, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR QG2 97 PHE HA &rst iat= -1,1506, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR QG2 97 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1512,1520, &end # # 89 THR QG2 97 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1514,1518, &end # # 89 THR QG2 97 PHE HZ &rst iat= -1,1516, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, &end # # 89 THR H 98 VAL H &rst iat= 1381,1524, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR H 98 VAL QG &rst iat= 1381, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 89 THR HA 98 VAL H &rst iat= 1383,1524, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 THR HA 98 VAL QG &rst iat= 1383, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 89 THR QG2 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.882, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1530,1531,1532,1534,1535,1536, &end # # 89 THR QG2 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1915,1923, &end # # 89 THR QG2 125 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 1936,1937, &end # # 90 VAL H 90 VAL QG &rst iat= 1395, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL HA 90 VAL H &rst iat= 1397,1395, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL HA 90 VAL QG &rst iat= 1397, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL HB 90 VAL H &rst iat= 1399,1395, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL H 91 THR H &rst iat= 1395,1411, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL HA 91 THR H &rst iat= 1397,1411, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL HA 91 THR QG2 &rst iat= 1397, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 90 VAL HB 91 THR H &rst iat= 1399,1411, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL HB 91 THR QG2 &rst iat= 1399, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 90 VAL QG 91 THR H &rst iat= -1,1411, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 91 THR HB &rst iat= -1,1415, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 91 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.91, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1417,1418,1419, &end # # 90 VAL HA 92 ASP H &rst iat= 1397,1425, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL HB 92 ASP H &rst iat= 1399,1425, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL QG 92 ASP H &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 92 ASP HA &rst iat= -1,1427, r1= 0, r2= 0, r3= 7.56, r4= 8.235, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 93 SER HA &rst iat= -1,1439, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 93 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1441,1442, &end # # 90 VAL H 96 TYR QB &rst iat= 1395, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1487,1488, &end # # 90 VAL QG 96 TYR H &rst iat= -1,1483, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 96 TYR HA &rst iat= -1,1485, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 96 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1487,1488, &end # # 90 VAL QG 96 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1491,1500, &end # # 90 VAL QG 96 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1493,1498, &end # # 90 VAL H 97 PHE HA &rst iat= 1395,1506, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL H 97 PHE QB &rst iat= 1395, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1508,1509, &end # # 90 VAL HA 97 PHE HA &rst iat= 1397,1506, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL QG 97 PHE H &rst iat= -1,1504, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 97 PHE HA &rst iat= -1,1506, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, &end # # 90 VAL QG 97 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1512,1520, &end # # 90 VAL QG 97 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1514,1518, &end # # 90 VAL H 98 VAL H &rst iat= 1395,1524, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 VAL HA 98 VAL QG &rst iat= 1397, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 90 VAL QG 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1530,1531,1532,1534,1535,1536, &end # # 90 VAL QG 112 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 1745,1746, &end # # 91 THR H 91 THR QG2 &rst iat= 1411, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 91 THR HA 91 THR QG2 &rst iat= 1413, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1417,1418,1419, &end # # 91 THR H 92 ASP H &rst iat= 1411,1425, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 THR HB 92 ASP H &rst iat= 1415,1425, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 THR HB 92 ASP QB &rst iat= 1415, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1429,1430, &end # # 91 THR QG2 92 ASP H &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1417,1418,1419, &end # # 91 THR H 93 SER H &rst iat= 1411,1437, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 THR HB 93 SER H &rst iat= 1415,1437, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 THR H 98 VAL QG &rst iat= 1411, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 92 ASP H 93 SER H &rst iat= 1425,1437, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASP H 93 SER QB &rst iat= 1425, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1441,1442, &end # # 92 ASP QB 93 SER H &rst iat= -1,1437, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1429,1430, &end # # 93 SER HA 94 SER QB &rst iat= 1439, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1452,1453, &end # # 93 SER QB 96 TYR H &rst iat= -1,1483, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1441,1442, &end # # 93 SER QB 96 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1441,1442, igr2= 1491,1500, &end # # 93 SER QB 96 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1441,1442, igr2= 1493,1498, &end # # 94 SER HA 95 ARG HA &rst iat= 1450,1461, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 ARG HA 95 ARG QD &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1469,1470, &end # # 95 ARG QB 95 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1463,1464, igr2= 1469,1470, &end # # 95 ARG H 96 TYR H &rst iat= 1459,1483, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 ARG QB 96 TYR H &rst iat= -1,1483, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1463,1464, &end # # 95 ARG QB 96 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1463,1464, igr2= 1491,1500, &end # # 95 ARG QB 96 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1463,1464, igr2= 1493,1498, &end # # 95 ARG QG 96 TYR H &rst iat= -1,1483, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1466,1467, &end # # 95 ARG QG 96 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1466,1467, igr2= 1491,1500, &end # # 95 ARG QG 96 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1466,1467, igr2= 1493,1498, &end # # 95 ARG QD 96 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1469,1470, igr2= 1493,1498, &end # # 95 ARG HA 115 PHE H &rst iat= 1461,1776, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 ARG HA 115 PHE QB &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1780,1781, &end # # 95 ARG HA 118 ARG HA &rst iat= 1461,1824, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 ARG HA 118 ARG QG &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1829,1830, &end # # 95 ARG HA 118 ARG QD &rst iat= 1461, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1832,1833, &end # # 95 ARG QB 118 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1463,1464, igr2= 1832,1833, &end # # 95 ARG QG 118 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1466,1467, igr2= 1832,1833, &end # # 95 ARG QD 118 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1469,1470, igr2= 1832,1833, &end # # 95 ARG HA 121 ALA QB &rst iat= 1461, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 95 ARG QB 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1463,1464, igr2= 1869,1870,1871, &end # # 95 ARG QG 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1466,1467, igr2= 1869,1870,1871, &end # # 96 TYR H 96 TYR QD &rst iat= 1483, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1500, &end # # 96 TYR H 96 TYR QE &rst iat= 1483, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1493,1498, &end # # 96 TYR HA 96 TYR QD &rst iat= 1485, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1491,1500, &end # # 96 TYR HA 96 TYR QE &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1493,1498, &end # # 96 TYR H 97 PHE H &rst iat= 1483,1504, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 TYR H 97 PHE QB &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1508,1509, &end # # 96 TYR HA 97 PHE QB &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1508,1509, &end # # 96 TYR HA 97 PHE QD &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1512,1520, &end # # 96 TYR HA 97 PHE QE &rst iat= 1485, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1514,1518, &end # # 96 TYR QB 97 PHE H &rst iat= -1,1504, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1487,1488, &end # # 96 TYR QD 97 PHE H &rst iat= -1,1504, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, &end # # 96 TYR HA 113 ILE H &rst iat= 1485,1750, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 TYR HA 113 ILE HB &rst iat= 1485,1754, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 TYR HA 113 ILE QG2 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 96 TYR HA 113 ILE QD1 &rst iat= 1485, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 96 TYR QD 113 ILE HA &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, &end # # 96 TYR QD 113 ILE HB &rst iat= -1,1754, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, &end # # 96 TYR QD 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, igr2= 1756,1757,1758, &end # # 96 TYR H 114 GLY QA &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1771,1772, &end # # 96 TYR HA 114 GLY H &rst iat= 1485,1769, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 TYR HA 114 GLY QA &rst iat= 1485, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1771,1772, &end # # 96 TYR QD 114 GLY H &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, &end # # 96 TYR QD 114 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, igr2= 1771,1772, &end # # 96 TYR QE 114 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1493,1498, igr2= 1771,1772, &end # # 96 TYR HA 115 PHE H &rst iat= 1485,1776, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 TYR HA 115 PHE QD &rst iat= 1485, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1784,1792, &end # # 96 TYR QD 115 PHE H &rst iat= -1,1776, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, &end # # 96 TYR H 121 ALA QB &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 96 TYR QD 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1500, igr2= 1869,1870,1871, &end # # 97 PHE H 97 PHE QD &rst iat= 1504, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1512,1520, &end # # 97 PHE HA 97 PHE QD &rst iat= 1506, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1512,1520, &end # # 97 PHE HA 97 PHE QE &rst iat= 1506, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1514,1518, &end # # 97 PHE H 98 VAL H &rst iat= 1504,1524, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE H 98 VAL HA &rst iat= 1504,1526, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE H 98 VAL QG &rst iat= 1504, -1, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 97 PHE HA 98 VAL QG &rst iat= 1506, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 97 PHE QB 98 VAL H &rst iat= -1,1524, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, &end # # 97 PHE QD 98 VAL H &rst iat= -1,1524, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, &end # # 97 PHE QD 98 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1530,1531,1532,1534,1535,1536, &end # # 97 PHE H 99 ILE QG2 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 97 PHE QB 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, igr2= 1546,1547,1548, &end # # 97 PHE QD 99 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1546,1547,1548, &end # # 97 PHE H 112 GLY QA &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 97 PHE HA 112 GLY QA &rst iat= 1506, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 97 PHE H 113 ILE H &rst iat= 1504,1750, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE H 113 ILE HB &rst iat= 1504,1754, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE H 113 ILE QG1 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1760,1761, &end # # 97 PHE H 113 ILE QG2 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 97 PHE H 113 ILE QD1 &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 97 PHE HA 113 ILE HB &rst iat= 1506,1754, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE QB 113 ILE H &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, &end # # 97 PHE QB 113 ILE HB &rst iat= -1,1754, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, &end # # 97 PHE QB 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, igr2= 1760,1761, &end # # 97 PHE QB 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, igr2= 1756,1757,1758, &end # # 97 PHE QB 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, igr2= 1763,1764,1765, &end # # 97 PHE QD 113 ILE HA &rst iat= -1,1752, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, &end # # 97 PHE QD 113 ILE HB &rst iat= -1,1754, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, &end # # 97 PHE QD 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1756,1757,1758, &end # # 97 PHE QD 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1763,1764,1765, &end # # 97 PHE H 114 GLY H &rst iat= 1504,1769, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE H 114 GLY QA &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1771,1772, &end # # 97 PHE H 115 PHE H &rst iat= 1504,1776, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE H 115 PHE QE &rst iat= 1504, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1786,1790, &end # # 97 PHE QB 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, igr2= 1786,1790, &end # # 97 PHE QD 115 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1784,1792, &end # # 97 PHE QD 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1786,1790, &end # # 97 PHE QE 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, igr2= 1786,1790, &end # # 97 PHE H 121 ALA QB &rst iat= 1504, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 97 PHE QD 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1869,1870,1871, &end # # 97 PHE QE 121 ALA HA &rst iat= -1,1867, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, &end # # 97 PHE QE 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, igr2= 1869,1870,1871, &end # # 97 PHE HZ 121 ALA QB &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 97 PHE QE 122 PHE HA &rst iat= -1,1877, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, &end # # 97 PHE HZ 122 PHE HA &rst iat= 1516,1877, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE HA 124 PHE QE &rst iat= 1506, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1917,1921, &end # # 97 PHE QB 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, igr2= 1917,1921, &end # # 97 PHE QB 124 PHE HZ &rst iat= -1,1919, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1508,1509, &end # # 97 PHE QD 124 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1911,1912, &end # # 97 PHE QD 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1915,1923, &end # # 97 PHE QD 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1512,1520, igr2= 1917,1921, &end # # 97 PHE QE 124 PHE HA &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, &end # # 97 PHE QE 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, igr2= 1915,1923, &end # # 97 PHE QE 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, igr2= 1917,1921, &end # # 97 PHE HZ 124 PHE QB &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1911,1912, &end # # 97 PHE HZ 124 PHE QD &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1915,1923, &end # # 97 PHE QE 125 ASN HA &rst iat= -1,1929, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, &end # # 97 PHE QE 125 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1514,1518, igr2= 1931,1932, &end # # 97 PHE HZ 125 ASN H &rst iat= 1516,1927, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE HZ 125 ASN HA &rst iat= 1516,1929, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 PHE HZ 125 ASN QB &rst iat= 1516, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1931,1932, &end # # 98 VAL H 98 VAL HB &rst iat= 1524,1528, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL H 98 VAL QG &rst iat= 1524, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL HA 98 VAL QG &rst iat= 1526, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL H 99 ILE H &rst iat= 1524,1540, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL H 99 ILE HA &rst iat= 1524,1542, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL HA 99 ILE QD1 &rst iat= 1526, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 98 VAL HB 99 ILE H &rst iat= 1528,1540, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL QG 99 ILE H &rst iat= -1,1540, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL QG 99 ILE HA &rst iat= -1,1542, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL QG 110 PHE H &rst iat= -1,1704, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL QG 110 PHE HA &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL QG 110 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, igr2= 1708,1709, &end # # 98 VAL QG 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, igr2= 1712,1720, &end # # 98 VAL QG 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL QG 111 ILE HA &rst iat= -1,1726, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL H 112 GLY QA &rst iat= 1524, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 98 VAL HA 112 GLY H &rst iat= 1526,1743, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL HA 112 GLY QA &rst iat= 1526, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 98 VAL QG 112 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, igr2= 1745,1746, &end # # 98 VAL H 113 ILE H &rst iat= 1524,1750, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL H 113 ILE HB &rst iat= 1524,1754, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL H 113 ILE QG1 &rst iat= 1524, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1760,1761, &end # # 98 VAL HA 113 ILE H &rst iat= 1526,1750, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 VAL HA 113 ILE QG2 &rst iat= 1526, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 98 VAL QG 113 ILE H &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL QG 113 ILE HB &rst iat= -1,1754, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, &end # # 98 VAL QG 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, igr2= 1760,1761, &end # # 98 VAL QG 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.558, r4= 10.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532,1534,1535,1536, igr2= 1756,1757,1758, &end # # 99 ILE H 99 ILE QG1 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1550,1551, &end # # 99 ILE H 99 ILE QG2 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 99 ILE H 99 ILE QD1 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 99 ILE HA 99 ILE QG2 &rst iat= 1542, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1546,1547,1548, &end # # 99 ILE HA 99 ILE QD1 &rst iat= 1542, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 99 ILE HB 99 ILE QD1 &rst iat= 1544, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554,1555, &end # # 99 ILE QG2 99 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.896, r4= 5.616, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, igr2= 1553,1554,1555, &end # # 99 ILE H 100 ARG H &rst iat= 1540,1559, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 ILE HB 100 ARG H &rst iat= 1544,1559, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 ILE QG2 100 ARG H &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, &end # # 99 ILE H 101 ILE H &rst iat= 1540,1583, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 ILE H 101 ILE QG2 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 99 ILE HB 101 ILE QG2 &rst iat= 1544, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 99 ILE QG1 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1589,1590,1591, &end # # 99 ILE QG2 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.336, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, igr2= 1589,1590,1591, &end # # 99 ILE QG1 101 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1596,1597,1598, &end # # 99 ILE QD1 101 ILE HA &rst iat= -1,1585, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, &end # # 99 ILE QD1 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1589,1590,1591, &end # # 99 ILE QD1 101 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1596,1597,1598, &end # # 99 ILE H 110 PHE HA &rst iat= 1540,1706, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 ILE H 110 PHE QD &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 99 ILE QG1 110 PHE HA &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, &end # # 99 ILE H 111 ILE H &rst iat= 1540,1724, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 ILE H 111 ILE QG2 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 99 ILE H 111 ILE QD1 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 99 ILE QG1 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, &end # # 99 ILE QG1 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1734,1735, &end # # 99 ILE QG1 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1737,1738,1739, &end # # 99 ILE QG2 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, igr2= 1737,1738,1739, &end # # 99 ILE QD1 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, &end # # 99 ILE QD1 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1734,1735, &end # # 99 ILE QD1 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1737,1738,1739, &end # # 99 ILE H 112 GLY QA &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 99 ILE H 113 ILE H &rst iat= 1540,1750, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 ILE H 113 ILE QD1 &rst iat= 1540, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 99 ILE HA 113 ILE QD1 &rst iat= 1542, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 99 ILE HB 113 ILE QD1 &rst iat= 1544, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 99 ILE QG1 113 ILE H &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, &end # # 99 ILE QG2 113 ILE HB &rst iat= -1,1754, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, &end # # 99 ILE QG1 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1760,1761, &end # # 99 ILE QG1 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1756,1757,1758, &end # # 99 ILE QG2 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, igr2= 1760,1761, &end # # 99 ILE QG1 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1763,1764,1765, &end # # 99 ILE QG2 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.616, r4= 6.336, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, igr2= 1763,1764,1765, &end # # 99 ILE QD1 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1760,1761, &end # # 99 ILE QD1 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1763,1764,1765, &end # # 99 ILE QG2 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, igr2= 1915,1923, &end # # 99 ILE QG1 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1550,1551, igr2= 1917,1921, &end # # 99 ILE QG2 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1546,1547,1548, igr2= 1917,1921, &end # # 99 ILE QD1 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1915,1923, &end # # 99 ILE QD1 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554,1555, igr2= 1917,1921, &end # # 100 ARG H 100 ARG QD &rst iat= 1559, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1569,1570, &end # # 100 ARG HA 100 ARG QD &rst iat= 1561, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1569,1570, &end # # 100 ARG QB 100 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1563,1564, igr2= 1569,1570, &end # # 100 ARG H 101 ILE H &rst iat= 1559,1583, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 ARG H 101 ILE QG2 &rst iat= 1559, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 100 ARG HA 101 ILE H &rst iat= 1561,1583, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 ARG HA 101 ILE QG1 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1593,1594, &end # # 100 ARG HA 101 ILE QG2 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 100 ARG HA 101 ILE QD1 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 100 ARG QB 101 ILE H &rst iat= -1,1583, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1563,1564, &end # # 100 ARG QB 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1563,1564, igr2= 1589,1590,1591, &end # # 100 ARG QD 101 ILE H &rst iat= -1,1583, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1569,1570, &end # # 100 ARG QD 101 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1569,1570, igr2= 1589,1590,1591, &end # # 100 ARG HA 108 SER QB &rst iat= 1561, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 100 ARG QD 108 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1569,1570, igr2= 1687,1688, &end # # 100 ARG HA 109 ALA QB &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 100 ARG QD 109 ALA H &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1569,1570, &end # # 100 ARG H 110 PHE QD &rst iat= 1559, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 100 ARG HA 110 PHE HA &rst iat= 1561,1706, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 ARG QB 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1563,1564, igr2= 1712,1720, &end # # 100 ARG QB 110 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1563,1564, igr2= 1714,1718, &end # # 100 ARG QB 110 PHE HZ &rst iat= -1,1716, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1563,1564, &end # # 100 ARG QD 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1569,1570, igr2= 1712,1720, &end # # 100 ARG QD 110 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1569,1570, igr2= 1714,1718, &end # # 100 ARG H 111 ILE H &rst iat= 1559,1724, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 ARG HA 111 ILE QG2 &rst iat= 1561, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 101 ILE H 101 ILE QG1 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1593,1594, &end # # 101 ILE H 101 ILE QG2 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 101 ILE H 101 ILE QD1 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 101 ILE HA 101 ILE QG2 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1589,1590,1591, &end # # 101 ILE HA 101 ILE QD1 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 101 ILE HB 101 ILE QD1 &rst iat= 1587, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1596,1597,1598, &end # # 101 ILE QG2 101 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1589,1590,1591, igr2= 1593,1594, &end # # 101 ILE QG2 101 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1589,1590,1591, igr2= 1596,1597,1598, &end # # 101 ILE H 102 GLN H &rst iat= 1583,1602, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 ILE HA 102 GLN H &rst iat= 1585,1602, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 ILE HB 102 GLN H &rst iat= 1587,1602, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 ILE QG2 102 GLN H &rst iat= -1,1602, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1589,1590,1591, &end # # 101 ILE QD1 102 GLN H &rst iat= -1,1602, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE QD1 103 ASP H &rst iat= -1,1619, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE QD1 103 ASP HA &rst iat= -1,1621, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE H 108 SER QB &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 101 ILE QG1 108 SER HA &rst iat= -1,1685, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, &end # # 101 ILE QG1 108 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, igr2= 1687,1688, &end # # 101 ILE QD1 108 SER HA &rst iat= -1,1685, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE H 109 ALA QB &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 101 ILE HB 109 ALA H &rst iat= 1587,1694, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 ILE HB 109 ALA QB &rst iat= 1587, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 101 ILE QG1 109 ALA H &rst iat= -1,1694, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, &end # # 101 ILE QG2 109 ALA H &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1589,1590,1591, &end # # 101 ILE QG1 109 ALA HA &rst iat= -1,1696, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, &end # # 101 ILE QG1 109 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, igr2= 1698,1699,1700, &end # # 101 ILE QD1 109 ALA H &rst iat= -1,1694, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE QD1 109 ALA HA &rst iat= -1,1696, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE QD1 109 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.328, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, igr2= 1698,1699,1700, &end # # 101 ILE H 110 PHE HA &rst iat= 1583,1706, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 ILE H 110 PHE QD &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 101 ILE QG1 110 PHE HA &rst iat= -1,1706, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, &end # # 101 ILE QG2 110 PHE HA &rst iat= -1,1706, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1589,1590,1591, &end # # 101 ILE QD1 110 PHE H &rst iat= -1,1704, r1= 0, r2= 0, r3= 6.96, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE H 111 ILE H &rst iat= 1583,1724, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 ILE H 111 ILE QG2 &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 101 ILE HA 111 ILE QG1 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1734,1735, &end # # 101 ILE HA 111 ILE QD1 &rst iat= 1585, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 101 ILE QG2 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 7.08, r4= 7.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1589,1590,1591, &end # # 101 ILE QG1 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, igr2= 1734,1735, &end # # 101 ILE QG1 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, igr2= 1730,1731,1732, &end # # 101 ILE QG2 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1589,1590,1591, igr2= 1734,1735, &end # # 101 ILE QD1 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, &end # # 101 ILE QD1 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, igr2= 1734,1735, &end # # 101 ILE QD1 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, igr2= 1730,1731,1732, &end # # 101 ILE QD1 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1596,1597,1598, igr2= 1737,1738,1739, &end # # 102 GLN H 102 GLN QB &rst iat= 1602, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1606,1607, &end # # 102 GLN H 102 GLN QG &rst iat= 1602, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1609,1610, &end # # 102 GLN HA 102 GLN QE &rst iat= 1604, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1614,1615, &end # # 102 GLN QB 102 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, igr2= 1614,1615, &end # # 102 GLN H 103 ASP H &rst iat= 1602,1619, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN HA 103 ASP H &rst iat= 1604,1619, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN HA 103 ASP HA &rst iat= 1604,1621, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN QB 103 ASP H &rst iat= -1,1619, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, &end # # 102 GLN QG 103 ASP H &rst iat= -1,1619, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1609,1610, &end # # 102 GLN QE 103 ASP H &rst iat= -1,1619, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, &end # # 102 GLN QE 103 ASP HA &rst iat= -1,1621, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, &end # # 102 GLN HA 104 GLY H &rst iat= 1604,1631, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN QB 104 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.15008, r4= 7.77728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, igr2= 1633,1634, &end # # 102 GLN QG 104 GLY H &rst iat= -1,1631, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1609,1610, &end # # 102 GLN QE 104 GLY H &rst iat= -1,1631, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, &end # # 102 GLN QE 104 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, igr2= 1633,1634, &end # # 102 GLN QG 105 THR H &rst iat= -1,1638, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1609,1610, &end # # 102 GLN QE 105 THR H &rst iat= -1,1638, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, &end # # 102 GLN QB 106 GLY H &rst iat= -1,1652, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, &end # # 102 GLN QE 106 GLY H &rst iat= -1,1652, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, &end # # 102 GLN QE 106 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, igr2= 1654,1655, &end # # 102 GLN HA 107 ARG H &rst iat= 1604,1659, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN QB 107 ARG H &rst iat= -1,1659, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, &end # # 102 GLN QG 107 ARG H &rst iat= -1,1659, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1609,1610, &end # # 102 GLN QE 107 ARG HA &rst iat= -1,1661, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, &end # # 102 GLN HA 108 SER H &rst iat= 1604,1683, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN HA 108 SER HA &rst iat= 1604,1685, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN HA 108 SER QB &rst iat= 1604, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 102 GLN QB 108 SER HA &rst iat= -1,1685, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, &end # # 102 GLN QB 108 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, igr2= 1687,1688, &end # # 102 GLN QG 108 SER HA &rst iat= -1,1685, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1609,1610, &end # # 102 GLN QG 108 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1609,1610, igr2= 1687,1688, &end # # 102 GLN QE 108 SER HA &rst iat= -1,1685, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1614,1615, &end # # 102 GLN H 109 ALA H &rst iat= 1602,1694, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN HA 109 ALA H &rst iat= 1604,1694, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLN HA 109 ALA QB &rst iat= 1604, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 102 GLN QB 109 ALA H &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1606,1607, &end # # 102 GLN QG 109 ALA H &rst iat= -1,1694, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1609,1610, &end # # 103 ASP H 103 ASP QB &rst iat= 1619, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1623,1624, &end # # 103 ASP H 104 GLY H &rst iat= 1619,1631, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP H 104 GLY QA &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1633,1634, &end # # 103 ASP HA 104 GLY QA &rst iat= 1621, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1633,1634, &end # # 103 ASP QB 104 GLY H &rst iat= -1,1631, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, &end # # 103 ASP H 105 THR H &rst iat= 1619,1638, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP HA 105 THR H &rst iat= 1621,1638, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP HA 105 THR QG2 &rst iat= 1621, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1644,1645,1646, &end # # 103 ASP QB 105 THR H &rst iat= -1,1638, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, &end # # 103 ASP QB 105 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, igr2= 1644,1645,1646, &end # # 103 ASP QB 106 GLY H &rst iat= -1,1652, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, &end # # 103 ASP H 107 ARG H &rst iat= 1619,1659, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP H 107 ARG HA &rst iat= 1619,1661, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP H 107 ARG QB &rst iat= 1619, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1663,1664, &end # # 103 ASP H 107 ARG QG &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1666,1667, &end # # 103 ASP QB 107 ARG H &rst iat= -1,1659, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, &end # # 103 ASP QB 107 ARG HA &rst iat= -1,1661, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, &end # # 103 ASP QB 107 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, igr2= 1663,1664, &end # # 103 ASP QB 107 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, igr2= 1666,1667, &end # # 103 ASP H 108 SER H &rst iat= 1619,1683, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP H 108 SER HA &rst iat= 1619,1685, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP H 108 SER QB &rst iat= 1619, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 103 ASP QB 108 SER H &rst iat= -1,1683, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, &end # # 103 ASP H 109 ALA H &rst iat= 1619,1694, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP H 109 ALA QB &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 103 ASP HA 109 ALA H &rst iat= 1621,1694, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 ASP QB 109 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, igr2= 1698,1699,1700, &end # # 104 GLY H 105 THR H &rst iat= 1631,1638, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 GLY H 105 THR QG2 &rst iat= 1631, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1644,1645,1646, &end # # 104 GLY QA 105 THR HA &rst iat= -1,1640, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1633,1634, &end # # 104 GLY QA 105 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1633,1634, igr2= 1644,1645,1646, &end # # 104 GLY H 106 GLY H &rst iat= 1631,1652, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 GLY QA 106 GLY H &rst iat= -1,1652, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1633,1634, &end # # 104 GLY H 107 ARG H &rst iat= 1631,1659, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 GLY QA 107 ARG H &rst iat= -1,1659, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1633,1634, &end # # 104 GLY H 108 SER HA &rst iat= 1631,1685, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 THR H 105 THR HB &rst iat= 1638,1642, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 THR H 105 THR QG2 &rst iat= 1638, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1644,1645,1646, &end # # 105 THR HA 105 THR HB &rst iat= 1640,1642, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 THR HA 105 THR QG2 &rst iat= 1640, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1644,1645,1646, &end # # 105 THR H 106 GLY H &rst iat= 1638,1652, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 THR H 106 GLY QA &rst iat= 1638, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1654,1655, &end # # 105 THR QG2 106 GLY H &rst iat= -1,1652, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1644,1645,1646, &end # # 105 THR QG2 106 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1644,1645,1646, igr2= 1654,1655, &end # # 105 THR H 107 ARG H &rst iat= 1638,1659, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 THR H 107 ARG QB &rst iat= 1638, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1663,1664, &end # # 105 THR H 107 ARG QG &rst iat= 1638, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1666,1667, &end # # 105 THR HA 107 ARG H &rst iat= 1640,1659, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 THR QG2 107 ARG H &rst iat= -1,1659, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1644,1645,1646, &end # # 105 THR QG2 107 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1644,1645,1646, igr2= 1663,1664, &end # # 105 THR QG2 107 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1644,1645,1646, igr2= 1666,1667, &end # # 105 THR QG2 107 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1644,1645,1646, igr2= 1669,1670, &end # # 106 GLY H 107 ARG H &rst iat= 1652,1659, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 GLY H 107 ARG QB &rst iat= 1652, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1663,1664, &end # # 106 GLY H 107 ARG QG &rst iat= 1652, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1666,1667, &end # # 106 GLY QA 107 ARG HA &rst iat= -1,1661, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1654,1655, &end # # 106 GLY QA 107 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1654,1655, igr2= 1663,1664, &end # # 107 ARG H 107 ARG QB &rst iat= 1659, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1663,1664, &end # # 107 ARG H 107 ARG QG &rst iat= 1659, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1666,1667, &end # # 107 ARG H 107 ARG QD &rst iat= 1659, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1669,1670, &end # # 107 ARG HA 107 ARG QB &rst iat= 1661, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1663,1664, &end # # 107 ARG HA 107 ARG QG &rst iat= 1661, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1666,1667, &end # # 107 ARG HA 107 ARG QD &rst iat= 1661, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1669,1670, &end # # 107 ARG QB 107 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1663,1664, igr2= 1669,1670, &end # # 107 ARG QG 107 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1666,1667, igr2= 1669,1670, &end # # 107 ARG HA 108 SER H &rst iat= 1661,1683, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 107 ARG HA 108 SER HA &rst iat= 1661,1685, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 107 ARG HA 108 SER QB &rst iat= 1661, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 107 ARG QB 108 SER H &rst iat= -1,1683, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1663,1664, &end # # 107 ARG QB 108 SER HA &rst iat= -1,1685, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1663,1664, &end # # 107 ARG QB 108 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1663,1664, igr2= 1687,1688, &end # # 107 ARG QG 108 SER H &rst iat= -1,1683, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1666,1667, &end # # 107 ARG QD 108 SER H &rst iat= -1,1683, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1669,1670, &end # # 107 ARG QG 109 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1666,1667, igr2= 1698,1699,1700, &end # # 107 ARG QD 109 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1669,1670, igr2= 1698,1699,1700, &end # # 108 SER H 108 SER QB &rst iat= 1683, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 108 SER H 109 ALA QB &rst iat= 1683, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 108 SER HA 109 ALA H &rst iat= 1685,1694, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 108 SER HA 109 ALA HA &rst iat= 1685,1696, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 108 SER HA 109 ALA QB &rst iat= 1685, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 108 SER QB 109 ALA H &rst iat= -1,1694, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1687,1688, &end # # 108 SER QB 109 ALA HA &rst iat= -1,1696, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1687,1688, &end # # 108 SER QB 109 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1687,1688, igr2= 1698,1699,1700, &end # # 108 SER QB 110 PHE H &rst iat= -1,1704, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1687,1688, &end # # 108 SER QB 110 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.02464, r4= 7.65184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1687,1688, igr2= 1714,1718, &end # # 109 ALA H 109 ALA QB &rst iat= 1694, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1698,1699,1700, &end # # 109 ALA H 110 PHE HA &rst iat= 1694,1706, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 109 ALA H 110 PHE QD &rst iat= 1694, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 109 ALA HA 110 PHE H &rst iat= 1696,1704, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 109 ALA HA 110 PHE QB &rst iat= 1696, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1708,1709, &end # # 109 ALA HA 110 PHE QD &rst iat= 1696, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 109 ALA QB 110 PHE H &rst iat= -1,1704, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1698,1699,1700, &end # # 109 ALA QB 110 PHE HA &rst iat= -1,1706, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1698,1699,1700, &end # # 109 ALA QB 110 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1698,1699,1700, igr2= 1712,1720, &end # # 109 ALA HA 111 ILE H &rst iat= 1696,1724, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 109 ALA HA 111 ILE QG2 &rst iat= 1696, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 109 ALA QB 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1698,1699,1700, &end # # 109 ALA QB 111 ILE HA &rst iat= -1,1726, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1698,1699,1700, &end # # 109 ALA QB 111 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.616, r4= 6.336, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1698,1699,1700, igr2= 1730,1731,1732, &end # # 109 ALA QB 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.352, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1698,1699,1700, igr2= 1737,1738,1739, &end # # 110 PHE H 110 PHE QB &rst iat= 1704, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1708,1709, &end # # 110 PHE H 110 PHE QD &rst iat= 1704, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 110 PHE H 110 PHE QE &rst iat= 1704, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1714,1718, &end # # 110 PHE HA 110 PHE QD &rst iat= 1706, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1720, &end # # 110 PHE HA 110 PHE QE &rst iat= 1706, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1714,1718, &end # # 110 PHE H 111 ILE H &rst iat= 1704,1724, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 110 PHE H 111 ILE QG2 &rst iat= 1704, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 110 PHE HA 111 ILE H &rst iat= 1706,1724, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 110 PHE HA 111 ILE QG1 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1734,1735, &end # # 110 PHE HA 111 ILE QG2 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 110 PHE HA 111 ILE QD1 &rst iat= 1706, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 110 PHE QB 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1708,1709, &end # # 110 PHE QD 111 ILE H &rst iat= -1,1724, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1712,1720, &end # # 111 ILE H 111 ILE QG1 &rst iat= 1724, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1734,1735, &end # # 111 ILE H 111 ILE QG2 &rst iat= 1724, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 111 ILE H 111 ILE QD1 &rst iat= 1724, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 111 ILE HA 111 ILE QG2 &rst iat= 1726, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1730,1731,1732, &end # # 111 ILE HA 111 ILE QD1 &rst iat= 1726, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 111 ILE HB 111 ILE QD1 &rst iat= 1728, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1737,1738,1739, &end # # 111 ILE QG2 111 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1730,1731,1732, igr2= 1734,1735, &end # # 111 ILE QG2 111 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.608, r4= 5.328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1730,1731,1732, igr2= 1737,1738,1739, &end # # 111 ILE H 112 GLY H &rst iat= 1724,1743, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 ILE H 112 GLY QA &rst iat= 1724, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 111 ILE HA 112 GLY QA &rst iat= 1726, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 111 ILE HB 112 GLY H &rst iat= 1728,1743, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 ILE HB 112 GLY QA &rst iat= 1728, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 111 ILE QG1 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1734,1735, &end # # 111 ILE QG2 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1730,1731,1732, &end # # 111 ILE QD1 112 GLY H &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1737,1738,1739, &end # # 111 ILE QD1 112 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1737,1738,1739, igr2= 1745,1746, &end # # 111 ILE HB 113 ILE H &rst iat= 1728,1750, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 ILE HB 113 ILE HA &rst iat= 1728,1752, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 ILE HB 113 ILE QG1 &rst iat= 1728, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1760,1761, &end # # 111 ILE QG1 113 ILE H &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1734,1735, &end # # 111 ILE QG1 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1734,1735, igr2= 1760,1761, &end # # 111 ILE QG1 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7952, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1734,1735, igr2= 1756,1757,1758, &end # # 111 ILE QG1 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1734,1735, igr2= 1763,1764,1765, &end # # 111 ILE QD1 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1737,1738,1739, igr2= 1760,1761, &end # # 111 ILE QD1 113 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1737,1738,1739, igr2= 1756,1757,1758, &end # # 111 ILE QD1 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1737,1738,1739, igr2= 1763,1764,1765, &end # # 112 GLY H 113 ILE H &rst iat= 1743,1750, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 113 ILE H 113 ILE QG1 &rst iat= 1750, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1760,1761, &end # # 113 ILE H 113 ILE QG2 &rst iat= 1750, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 113 ILE H 113 ILE QD1 &rst iat= 1750, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 113 ILE HA 113 ILE QG2 &rst iat= 1752, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1756,1757,1758, &end # # 113 ILE HA 113 ILE QD1 &rst iat= 1752, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 113 ILE HB 113 ILE QD1 &rst iat= 1754, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764,1765, &end # # 113 ILE QG2 113 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, igr2= 1760,1761, &end # # 113 ILE QG2 113 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, igr2= 1763,1764,1765, &end # # 113 ILE H 114 GLY H &rst iat= 1750,1769, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 113 ILE H 114 GLY QA &rst iat= 1750, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1771,1772, &end # # 113 ILE HB 114 GLY H &rst iat= 1754,1769, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 113 ILE QG2 114 GLY H &rst iat= -1,1769, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, &end # # 113 ILE QD1 114 GLY H &rst iat= -1,1769, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1763,1764,1765, &end # # 113 ILE HB 115 PHE H &rst iat= 1754,1776, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 113 ILE HB 115 PHE QD &rst iat= 1754, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1784,1792, &end # # 113 ILE HB 115 PHE QE &rst iat= 1754, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1786,1790, &end # # 113 ILE QG2 115 PHE HA &rst iat= -1,1778, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, &end # # 113 ILE QG2 115 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, igr2= 1784,1792, &end # # 113 ILE QG2 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, igr2= 1786,1790, &end # # 113 ILE QD1 115 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1763,1764,1765, igr2= 1784,1792, &end # # 113 ILE QD1 115 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1763,1764,1765, igr2= 1786,1790, &end # # 113 ILE QD1 115 PHE HZ &rst iat= -1,1788, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1763,1764,1765, &end # # 113 ILE HB 124 PHE QD &rst iat= 1754, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1915,1923, &end # # 113 ILE HB 124 PHE QE &rst iat= 1754, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1917,1921, &end # # 113 ILE QG2 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, igr2= 1915,1923, &end # # 113 ILE QG2 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1756,1757,1758, igr2= 1917,1921, &end # # 113 ILE QD1 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1763,1764,1765, igr2= 1915,1923, &end # # 113 ILE QD1 124 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1763,1764,1765, igr2= 1917,1921, &end # # 114 GLY H 115 PHE H &rst iat= 1769,1776, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 114 GLY H 115 PHE QE &rst iat= 1769, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1786,1790, &end # # 114 GLY QA 115 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1771,1772, igr2= 1784,1792, &end # # 115 PHE H 115 PHE QD &rst iat= 1776, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1784,1792, &end # # 115 PHE H 115 PHE QE &rst iat= 1776, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1786,1790, &end # # 115 PHE HA 115 PHE QD &rst iat= 1778, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1784,1792, &end # # 115 PHE HA 115 PHE QE &rst iat= 1778, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1786,1790, &end # # 115 PHE H 116 THR H &rst iat= 1776,1796, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 115 PHE HA 116 THR HA &rst iat= 1778,1798, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 115 PHE HA 116 THR HB &rst iat= 1778,1800, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 115 PHE HA 116 THR QG2 &rst iat= 1778, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1802,1803,1804, &end # # 115 PHE QB 116 THR H &rst iat= -1,1796, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1780,1781, &end # # 115 PHE QB 116 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1780,1781, igr2= 1802,1803,1804, &end # # 115 PHE QD 116 THR H &rst iat= -1,1796, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1784,1792, &end # # 115 PHE QD 116 THR HB &rst iat= -1,1800, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1784,1792, &end # # 115 PHE H 117 ASP H &rst iat= 1776,1810, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 115 PHE QB 117 ASP H &rst iat= -1,1810, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1780,1781, &end # # 115 PHE QD 117 ASP H &rst iat= -1,1810, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1784,1792, &end # # 115 PHE QB 120 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1780,1781, igr2= 1857,1858, &end # # 115 PHE QD 120 ASP HA &rst iat= -1,1855, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1784,1792, &end # # 115 PHE QD 120 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1784,1792, igr2= 1857,1858, &end # # 115 PHE QE 120 ASP HA &rst iat= -1,1855, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1786,1790, &end # # 115 PHE H 121 ALA QB &rst iat= 1776, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 115 PHE HA 121 ALA QB &rst iat= 1778, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 115 PHE QB 121 ALA H &rst iat= -1,1865, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1780,1781, &end # # 115 PHE QB 121 ALA HA &rst iat= -1,1867, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1780,1781, &end # # 115 PHE QB 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1780,1781, igr2= 1869,1870,1871, &end # # 115 PHE QD 121 ALA HA &rst iat= -1,1867, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1784,1792, &end # # 115 PHE QD 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1784,1792, igr2= 1869,1870,1871, &end # # 115 PHE QE 121 ALA HA &rst iat= -1,1867, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1786,1790, &end # # 115 PHE QE 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1786,1790, igr2= 1869,1870,1871, &end # # 115 PHE HZ 121 ALA HA &rst iat= 1788,1867, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 115 PHE QE 124 PHE HA &rst iat= -1,1909, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1786,1790, &end # # 115 PHE QE 124 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1786,1790, igr2= 1911,1912, &end # # 115 PHE HZ 124 PHE QB &rst iat= 1788, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1911,1912, &end # # 115 PHE HZ 124 PHE QD &rst iat= 1788, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1915,1923, &end # # 115 PHE HZ 124 PHE QE &rst iat= 1788, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1917,1921, &end # # 116 THR H 116 THR HB &rst iat= 1796,1800, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 116 THR H 116 THR QG2 &rst iat= 1796, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1802,1803,1804, &end # # 116 THR HA 116 THR QG2 &rst iat= 1798, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1802,1803,1804, &end # # 116 THR H 117 ASP H &rst iat= 1796,1810, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 116 THR H 117 ASP HA &rst iat= 1796,1812, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 116 THR H 117 ASP QB &rst iat= 1796, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1814,1815, &end # # 116 THR HB 117 ASP H &rst iat= 1800,1810, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 116 THR HB 117 ASP QB &rst iat= 1800, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1814,1815, &end # # 116 THR QG2 117 ASP H &rst iat= -1,1810, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1802,1803,1804, &end # # 116 THR QG2 117 ASP HA &rst iat= -1,1812, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1802,1803,1804, &end # # 116 THR QG2 117 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1802,1803,1804, igr2= 1814,1815, &end # # 116 THR QG2 120 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1984, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1802,1803,1804, igr2= 1857,1858, &end # # 117 ASP H 117 ASP QB &rst iat= 1810, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1814,1815, &end # # 117 ASP HA 118 ARG HA &rst iat= 1812,1824, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 117 ASP HA 118 ARG QB &rst iat= 1812, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1826,1827, &end # # 117 ASP HA 119 GLY H &rst iat= 1812,1846, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 117 ASP QB 119 GLY H &rst iat= -1,1846, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1814,1815, &end # # 117 ASP H 120 ASP H &rst iat= 1810,1853, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 117 ASP H 120 ASP QB &rst iat= 1810, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1857,1858, &end # # 117 ASP HA 120 ASP QB &rst iat= 1812, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1857,1858, &end # # 117 ASP QB 120 ASP H &rst iat= -1,1853, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1814,1815, &end # # 117 ASP QB 120 ASP HA &rst iat= -1,1855, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1814,1815, &end # # 117 ASP QB 120 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1814,1815, igr2= 1857,1858, &end # # 117 ASP H 121 ALA H &rst iat= 1810,1865, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 117 ASP HA 121 ALA H &rst iat= 1812,1865, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 117 ASP QB 121 ALA H &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1814,1815, &end # # 118 ARG H 119 GLY H &rst iat= 1822,1846, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 118 ARG QB 119 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1826,1827, igr2= 1848,1849, &end # # 118 ARG QD 119 GLY H &rst iat= -1,1846, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1832,1833, &end # # 118 ARG H 120 ASP QB &rst iat= 1822, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1857,1858, &end # # 118 ARG HA 121 ALA H &rst iat= 1824,1865, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 118 ARG HA 121 ALA QB &rst iat= 1824, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 118 ARG QB 121 ALA H &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1826,1827, &end # # 118 ARG QG 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1829,1830, igr2= 1869,1870,1871, &end # # 118 ARG QD 121 ALA H &rst iat= -1,1865, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1832,1833, &end # # 118 ARG QD 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1832,1833, igr2= 1869,1870,1871, &end # # 118 ARG QD 122 PHE H &rst iat= -1,1875, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1832,1833, &end # # 119 GLY H 120 ASP H &rst iat= 1846,1853, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 119 GLY H 120 ASP HA &rst iat= 1846,1855, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 119 GLY H 121 ALA H &rst iat= 1846,1865, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 119 GLY H 121 ALA QB &rst iat= 1846, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 119 GLY H 122 PHE H &rst iat= 1846,1875, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 119 GLY H 122 PHE QB &rst iat= 1846, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1879,1880, &end # # 119 GLY QA 122 PHE H &rst iat= -1,1875, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1848,1849, &end # # 119 GLY QA 122 PHE HA &rst iat= -1,1877, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1848,1849, &end # # 119 GLY QA 122 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1848,1849, igr2= 1879,1880, &end # # 119 GLY QA 123 ASP H &rst iat= -1,1895, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1848,1849, &end # # 120 ASP H 121 ALA H &rst iat= 1853,1865, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 120 ASP H 121 ALA HA &rst iat= 1853,1867, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 120 ASP H 121 ALA QB &rst iat= 1853, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 120 ASP HA 121 ALA QB &rst iat= 1855, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 120 ASP QB 121 ALA H &rst iat= -1,1865, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1857,1858, &end # # 120 ASP QB 121 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1857,1858, igr2= 1869,1870,1871, &end # # 120 ASP H 122 PHE H &rst iat= 1853,1875, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 120 ASP H 122 PHE QB &rst iat= 1853, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1879,1880, &end # # 120 ASP HA 122 PHE H &rst iat= 1855,1875, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 120 ASP H 123 ASP H &rst iat= 1853,1895, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 120 ASP HA 123 ASP H &rst iat= 1855,1895, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 120 ASP HA 123 ASP QB &rst iat= 1855, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1899,1900, &end # # 121 ALA H 121 ALA QB &rst iat= 1865, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1869,1870,1871, &end # # 121 ALA H 122 PHE H &rst iat= 1865,1875, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 121 ALA QB 122 PHE H &rst iat= -1,1875, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, &end # # 121 ALA QB 122 PHE HA &rst iat= -1,1877, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, &end # # 121 ALA QB 122 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.064, r4= 8.736, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, igr2= 1883,1891, &end # # 121 ALA H 123 ASP QB &rst iat= 1865, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1899,1900, &end # # 121 ALA HA 123 ASP H &rst iat= 1867,1895, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 121 ALA HA 123 ASP QB &rst iat= 1867, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1899,1900, &end # # 121 ALA H 124 PHE H &rst iat= 1865,1907, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 121 ALA HA 124 PHE H &rst iat= 1867,1907, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 121 ALA HA 124 PHE QB &rst iat= 1867, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1911,1912, &end # # 121 ALA HA 124 PHE QD &rst iat= 1867, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1915,1923, &end # # 121 ALA QB 124 PHE H &rst iat= -1,1907, r1= 0, r2= 0, r3= 6.84, r4= 7.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, &end # # 121 ALA QB 124 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.6608, r4= 8.3328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, igr2= 1911,1912, &end # # 121 ALA QB 124 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, igr2= 1915,1923, &end # # 121 ALA HA 125 ASN H &rst iat= 1867,1927, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 121 ALA QB 125 ASN H &rst iat= -1,1927, r1= 0, r2= 0, r3= 7.08, r4= 7.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, &end # # 121 ALA QB 125 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1869,1870,1871, igr2= 1931,1932, &end # # 122 PHE QR 122 PHE HA &rst iat= -1,1877, r1= 0, r2= 0, r3= 5.24, r4= 5.895, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891,1885,1889,1887, &end # # 122 PHE H 122 PHE QB &rst iat= 1875, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1879,1880, &end # # 122 PHE H 122 PHE QD &rst iat= 1875, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1883,1891, &end # # 122 PHE HA 122 PHE QD &rst iat= 1877, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1883,1891, &end # # 122 PHE HA 122 PHE QE &rst iat= 1877, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1885,1889, &end # # 122 PHE QR 123 ASP HA &rst iat= -1,1897, r1= 0, r2= 0, r3= 5.371, r4= 6.026, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891,1885,1889,1887, &end # # 122 PHE HA 123 ASP HA &rst iat= 1877,1897, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 122 PHE QB 123 ASP H &rst iat= -1,1895, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1879,1880, &end # # 122 PHE QD 123 ASP H &rst iat= -1,1895, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891, &end # # 122 PHE QD 123 ASP HA &rst iat= -1,1897, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891, &end # # 122 PHE HA 124 PHE H &rst iat= 1877,1907, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 122 PHE H 125 ASN H &rst iat= 1875,1927, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 122 PHE H 125 ASN QB &rst iat= 1875, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1931,1932, &end # # 122 PHE HA 125 ASN H &rst iat= 1877,1927, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 122 PHE HA 125 ASN QB &rst iat= 1877, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1931,1932, &end # # 122 PHE HA 125 ASN QD &rst iat= 1877, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1936,1937, &end # # 122 PHE QE 125 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, igr2= 1936,1937, &end # # 122 PHE QR 126 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.54345, r4= 7.4277, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891,1885,1889,1887, igr2= 1947,1948,1949,1951,1952,1953, &end # # 122 PHE HA 126 VAL H &rst iat= 1877,1941, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 122 PHE QB 126 VAL H &rst iat= -1,1941, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1879,1880, &end # # 122 PHE QD 126 VAL HB &rst iat= -1,1945, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891, &end # # 122 PHE QE 126 VAL HA &rst iat= -1,1943, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, &end # # 122 PHE QE 126 VAL HB &rst iat= -1,1945, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, &end # # 122 PHE QE 126 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, igr2= 1947,1948,1949,1951,1952,1953, &end # # 123 ASP H 123 ASP QB &rst iat= 1895, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1899,1900, &end # # 123 ASP H 124 PHE H &rst iat= 1895,1907, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP H 124 PHE HA &rst iat= 1895,1909, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP HA 124 PHE QB &rst iat= 1897, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1911,1912, &end # # 123 ASP QB 124 PHE H &rst iat= -1,1907, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1899,1900, &end # # 123 ASP QB 124 PHE HA &rst iat= -1,1909, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1899,1900, &end # # 123 ASP QB 124 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1899,1900, igr2= 1911,1912, &end # # 123 ASP H 125 ASN H &rst iat= 1895,1927, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP H 125 ASN QB &rst iat= 1895, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1931,1932, &end # # 123 ASP H 126 VAL H &rst iat= 1895,1941, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP H 126 VAL QG &rst iat= 1895, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1947,1948,1949,1951,1952,1953, &end # # 123 ASP HA 126 VAL H &rst iat= 1897,1941, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP HA 126 VAL HA &rst iat= 1897,1943, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP HA 126 VAL HB &rst iat= 1897,1945, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP HA 126 VAL QG &rst iat= 1897, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1947,1948,1949,1951,1952,1953, &end # # 123 ASP QB 126 VAL H &rst iat= -1,1941, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1899,1900, &end # # 123 ASP QB 126 VAL HB &rst iat= -1,1945, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1899,1900, &end # # 123 ASP QB 126 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1899,1900, igr2= 1947,1948,1949,1951,1952,1953, &end # # 123 ASP HA 127 SER H &rst iat= 1897,1957, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 123 ASP QB 127 SER H &rst iat= -1,1957, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1899,1900, &end # # 124 PHE H 124 PHE QB &rst iat= 1907, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1911,1912, &end # # 124 PHE H 124 PHE QD &rst iat= 1907, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1915,1923, &end # # 124 PHE HA 124 PHE QD &rst iat= 1909, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1915,1923, &end # # 124 PHE HA 124 PHE QE &rst iat= 1909, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1917,1921, &end # # 124 PHE H 125 ASN QB &rst iat= 1907, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1931,1932, &end # # 124 PHE HA 125 ASN QB &rst iat= 1909, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1931,1932, &end # # 124 PHE QB 125 ASN H &rst iat= -1,1927, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1911,1912, &end # # 124 PHE QD 125 ASN H &rst iat= -1,1927, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1915,1923, &end # # 124 PHE QD 125 ASN HA &rst iat= -1,1929, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1915,1923, &end # # 124 PHE QD 125 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1915,1923, igr2= 1931,1932, &end # # 124 PHE QE 125 ASN HA &rst iat= -1,1929, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1917,1921, &end # # 124 PHE QE 125 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1917,1921, igr2= 1931,1932, &end # # 124 PHE H 126 VAL H &rst iat= 1907,1941, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 124 PHE H 126 VAL HB &rst iat= 1907,1945, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 124 PHE H 126 VAL QG &rst iat= 1907, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.235, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1947,1948,1949,1951,1952,1953, &end # # 124 PHE QB 126 VAL H &rst iat= -1,1941, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1911,1912, &end # # 124 PHE H 127 SER H &rst iat= 1907,1957, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 124 PHE HA 128 LEU H &rst iat= 1909,1968, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 124 PHE QB 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1911,1912, igr2= 1977,1978,1979,1981,1982,1983, &end # # 124 PHE QD 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1915,1923, &end # # 124 PHE QD 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1915,1923, igr2= 1977,1978,1979,1981,1982,1983, &end # # 124 PHE QE 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1917,1921, igr2= 1977,1978,1979,1981,1982,1983, &end # # 125 ASN H 125 ASN QB &rst iat= 1927, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1931,1932, &end # # 125 ASN H 125 ASN QD &rst iat= 1927, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1936,1937, &end # # 125 ASN HA 125 ASN QD &rst iat= 1929, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1936,1937, &end # # 125 ASN QB 125 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, igr2= 1936,1937, &end # # 125 ASN H 126 VAL H &rst iat= 1927,1941, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN H 126 VAL HA &rst iat= 1927,1943, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN H 126 VAL HB &rst iat= 1927,1945, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN H 126 VAL QG &rst iat= 1927, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1947,1948,1949,1951,1952,1953, &end # # 125 ASN HA 126 VAL HA &rst iat= 1929,1943, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN HA 126 VAL QG &rst iat= 1929, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1947,1948,1949,1951,1952,1953, &end # # 125 ASN QB 126 VAL H &rst iat= -1,1941, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, &end # # 125 ASN QB 126 VAL HA &rst iat= -1,1943, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, &end # # 125 ASN QB 126 VAL HB &rst iat= -1,1945, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, &end # # 125 ASN QB 126 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, igr2= 1947,1948,1949,1951,1952,1953, &end # # 125 ASN QD 126 VAL H &rst iat= -1,1941, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1936,1937, &end # # 125 ASN QD 126 VAL HA &rst iat= -1,1943, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1936,1937, &end # # 125 ASN QD 126 VAL HB &rst iat= -1,1945, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1936,1937, &end # # 125 ASN QD 126 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1936,1937, igr2= 1947,1948,1949,1951,1952,1953, &end # # 125 ASN H 127 SER H &rst iat= 1927,1957, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN H 127 SER QB &rst iat= 1927, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1961,1962, &end # # 125 ASN HA 127 SER H &rst iat= 1929,1957, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN H 128 LEU QD &rst iat= 1927, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 125 ASN HA 128 LEU H &rst iat= 1929,1968, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN HA 128 LEU QB &rst iat= 1929, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1972,1973, &end # # 125 ASN HA 128 LEU HG &rst iat= 1929,1975, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN HA 128 LEU QD &rst iat= 1929, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 125 ASN QB 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, &end # # 125 ASN QB 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, igr2= 1977,1978,1979,1981,1982,1983, &end # # 125 ASN QD 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1936,1937, &end # # 125 ASN HA 129 GLN H &rst iat= 1929,1987, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 125 ASN HA 129 GLN QG &rst iat= 1929, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1994,1995, &end # # 125 ASN HA 129 GLN QE &rst iat= 1929, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1999,2000, &end # # 125 ASN QB 129 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1931,1932, igr2= 1999,2000, &end # # 125 ASN QD 129 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1936,1937, igr2= 1994,1995, &end # # 125 ASN QD 129 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1936,1937, igr2= 1999,2000, &end # # 126 VAL H 126 VAL HB &rst iat= 1941,1945, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL H 126 VAL QG &rst iat= 1941, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL HA 126 VAL QG &rst iat= 1943, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL H 127 SER H &rst iat= 1941,1957, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL H 127 SER HA &rst iat= 1941,1959, r1= 0, r2= 0, r3= 5.9, r4= 6.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL H 127 SER QB &rst iat= 1941, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1961,1962, &end # # 126 VAL HA 127 SER HA &rst iat= 1943,1959, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HB 127 SER H &rst iat= 1945,1957, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HB 127 SER QB &rst iat= 1945, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1961,1962, &end # # 126 VAL QG 127 SER H &rst iat= -1,1957, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL QG 127 SER HA &rst iat= -1,1959, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL QG 127 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, igr2= 1961,1962, &end # # 126 VAL H 128 LEU H &rst iat= 1941,1968, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HA 128 LEU H &rst iat= 1943,1968, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HA 128 LEU QB &rst iat= 1943, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1972,1973, &end # # 126 VAL QG 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL H 129 GLN H &rst iat= 1941,1987, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL H 129 GLN QB &rst iat= 1941, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1991,1992, &end # # 126 VAL H 129 GLN QG &rst iat= 1941, -1, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1994,1995, &end # # 126 VAL HA 129 GLN H &rst iat= 1943,1987, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HA 129 GLN HA &rst iat= 1943,1989, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HA 129 GLN QB &rst iat= 1943, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1991,1992, &end # # 126 VAL HA 129 GLN QG &rst iat= 1943, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1994,1995, &end # # 126 VAL HA 129 GLN QE &rst iat= 1943, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1999,2000, &end # # 126 VAL HB 129 GLN H &rst iat= 1945,1987, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HB 129 GLN QG &rst iat= 1945, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1994,1995, &end # # 126 VAL QG 129 GLN H &rst iat= -1,1987, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL QG 129 GLN HA &rst iat= -1,1989, r1= 0, r2= 0, r3= 7.695, r4= 8.37, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL QG 129 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, igr2= 1991,1992, &end # # 126 VAL QG 129 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, igr2= 1994,1995, &end # # 126 VAL QG 129 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, igr2= 1999,2000, &end # # 126 VAL H 130 ASP H &rst iat= 1941,2004, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HA 130 ASP H &rst iat= 1943,2004, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL HB 130 ASP H &rst iat= 1945,2004, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL QG 130 ASP H &rst iat= -1,2004, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL QG 130 ASP HA &rst iat= -1,2006, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 126 VAL QG 130 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, igr2= 2008,2009, &end # # 126 VAL HA 131 HIS H &rst iat= 1943,2016, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 126 VAL QG 131 HIS H &rst iat= -1,2016, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1947,1948,1949,1951,1952,1953, &end # # 127 SER H 127 SER QB &rst iat= 1957, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1961,1962, &end # # 127 SER H 128 LEU H &rst iat= 1957,1968, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 127 SER H 128 LEU QB &rst iat= 1957, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1972,1973, &end # # 127 SER H 128 LEU QD &rst iat= 1957, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 127 SER QB 128 LEU H &rst iat= -1,1968, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1961,1962, &end # # 127 SER QB 128 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1961,1962, igr2= 1972,1973, &end # # 127 SER QB 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1961,1962, igr2= 1977,1978,1979,1981,1982,1983, &end # # 127 SER H 129 GLN H &rst iat= 1957,1987, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 127 SER HA 129 GLN H &rst iat= 1959,1987, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 127 SER H 130 ASP H &rst iat= 1957,2004, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 127 SER HA 130 ASP H &rst iat= 1959,2004, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 127 SER HA 130 ASP QB &rst iat= 1959, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2008,2009, &end # # 127 SER HA 131 HIS H &rst iat= 1959,2016, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU H 128 LEU QB &rst iat= 1968, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1972,1973, &end # # 128 LEU H 128 LEU HG &rst iat= 1968,1975, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU H 128 LEU QD &rst iat= 1968, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 128 LEU HA 128 LEU QD &rst iat= 1970, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1977,1978,1979,1981,1982,1983, &end # # 128 LEU QB 128 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, igr2= 1977,1978,1979,1981,1982,1983, &end # # 128 LEU H 129 GLN H &rst iat= 1968,1987, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU H 129 GLN QB &rst iat= 1968, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1991,1992, &end # # 128 LEU H 129 GLN QG &rst iat= 1968, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1994,1995, &end # # 128 LEU HA 129 GLN HA &rst iat= 1970,1989, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU QB 129 GLN H &rst iat= -1,1987, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, &end # # 128 LEU QB 129 GLN HA &rst iat= -1,1989, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, &end # # 128 LEU QB 129 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, igr2= 1994,1995, &end # # 128 LEU HG 129 GLN H &rst iat= 1975,1987, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU QD 129 GLN H &rst iat= -1,1987, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, &end # # 128 LEU QD 129 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, igr2= 1991,1992, &end # # 128 LEU QD 129 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, igr2= 1994,1995, &end # # 128 LEU H 130 ASP H &rst iat= 1968,2004, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU HA 130 ASP H &rst iat= 1970,2004, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU QB 130 ASP H &rst iat= -1,2004, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, &end # # 128 LEU H 131 HIS H &rst iat= 1968,2016, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU HA 131 HIS H &rst iat= 1970,2016, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU HA 131 HIS HA &rst iat= 1970,2018, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU HA 131 HIS QB &rst iat= 1970, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2020,2021, &end # # 128 LEU QB 131 HIS H &rst iat= -1,2016, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, &end # # 128 LEU QB 131 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, igr2= 2020,2021, &end # # 128 LEU QD 131 HIS H &rst iat= -1,2016, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, &end # # 128 LEU QD 131 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, igr2= 2020,2021, &end # # 128 LEU HA 132 PHE H &rst iat= 1970,2033, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 128 LEU HA 132 PHE QD &rst iat= 1970, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 128 LEU HA 132 PHE QE &rst iat= 1970, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 128 LEU QB 132 PHE H &rst iat= -1,2033, r1= 0, r2= 0, r3= 6.608, r4= 7.168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, &end # # 128 LEU QB 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, igr2= 2041,2049, &end # # 128 LEU QB 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1972,1973, igr2= 2043,2047, &end # # 128 LEU HG 132 PHE QE &rst iat= 1975, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 128 LEU QD 132 PHE H &rst iat= -1,2033, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, &end # # 128 LEU QD 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, igr2= 2041,2049, &end # # 128 LEU QD 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, igr2= 2043,2047, &end # # 128 LEU QD 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 7.83, r4= 8.505, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1977,1978,1979,1981,1982,1983, &end # # 129 GLN H 129 GLN QB &rst iat= 1987, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1991,1992, &end # # 129 GLN H 129 GLN QG &rst iat= 1987, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1994,1995, &end # # 129 GLN H 129 GLN QE &rst iat= 1987, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1999,2000, &end # # 129 GLN HA 129 GLN QG &rst iat= 1989, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1994,1995, &end # # 129 GLN HA 129 GLN QE &rst iat= 1989, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1999,2000, &end # # 129 GLN QB 129 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.27552, r4= 7.90272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1991,1992, igr2= 1999,2000, &end # # 129 GLN H 130 ASP H &rst iat= 1987,2004, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 129 GLN H 130 ASP HA &rst iat= 1987,2006, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 129 GLN H 130 ASP QB &rst iat= 1987, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2008,2009, &end # # 129 GLN HA 130 ASP QB &rst iat= 1989, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2008,2009, &end # # 129 GLN QB 130 ASP H &rst iat= -1,2004, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1991,1992, &end # # 129 GLN QB 130 ASP HA &rst iat= -1,2006, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1991,1992, &end # # 129 GLN QB 130 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1991,1992, igr2= 2008,2009, &end # # 129 GLN QG 130 ASP H &rst iat= -1,2004, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1994,1995, &end # # 129 GLN H 131 HIS H &rst iat= 1987,2016, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 129 GLN HA 131 HIS H &rst iat= 1989,2016, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 129 GLN H 132 PHE H &rst iat= 1987,2033, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 129 GLN H 132 PHE QD &rst iat= 1987, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 129 GLN HA 132 PHE H &rst iat= 1989,2033, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 129 GLN HA 132 PHE QB &rst iat= 1989, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2037,2038, &end # # 129 GLN HA 132 PHE QD &rst iat= 1989, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 129 GLN HA 133 LYS H &rst iat= 1989,2053, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP H 130 ASP QB &rst iat= 2004, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2008,2009, &end # # 130 ASP H 131 HIS H &rst iat= 2004,2016, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP H 131 HIS HA &rst iat= 2004,2018, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP H 131 HIS QB &rst iat= 2004, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2020,2021, &end # # 130 ASP HA 131 HIS HA &rst iat= 2006,2018, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP QB 131 HIS H &rst iat= -1,2016, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, &end # # 130 ASP QB 131 HIS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, igr2= 2020,2021, &end # # 130 ASP H 132 PHE H &rst iat= 2004,2033, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP HA 132 PHE H &rst iat= 2006,2033, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP QB 132 PHE H &rst iat= -1,2033, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, &end # # 130 ASP H 133 LYS H &rst iat= 2004,2053, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP H 133 LYS QG &rst iat= 2004, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2060,2061, &end # # 130 ASP HA 133 LYS H &rst iat= 2006,2053, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP HA 133 LYS HA &rst iat= 2006,2055, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP HA 133 LYS QB &rst iat= 2006, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2057,2058, &end # # 130 ASP HA 133 LYS QG &rst iat= 2006, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2060,2061, &end # # 130 ASP HA 133 LYS QD &rst iat= 2006, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2063,2064, &end # # 130 ASP HA 133 LYS QE &rst iat= 2006, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2066,2067, &end # # 130 ASP QB 133 LYS H &rst iat= -1,2053, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, &end # # 130 ASP QB 133 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, igr2= 2057,2058, &end # # 130 ASP QB 133 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, igr2= 2060,2061, &end # # 130 ASP QB 133 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, igr2= 2063,2064, &end # # 130 ASP HA 134 TRP H &rst iat= 2006,2075, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP HA 134 TRP HD1 &rst iat= 2006,2083, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP HA 134 TRP HE1 &rst iat= 2006,2085, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 130 ASP QB 134 TRP HD1 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2008,2009, &end # # 131 HIS H 131 HIS QB &rst iat= 2016, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2020,2021, &end # # 131 HIS H 132 PHE H &rst iat= 2016,2033, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS H 132 PHE HA &rst iat= 2016,2035, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS H 132 PHE QB &rst iat= 2016, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2037,2038, &end # # 131 HIS HA 132 PHE QD &rst iat= 2018, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 131 HIS QB 132 PHE H &rst iat= -1,2033, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2020,2021, &end # # 131 HIS QB 132 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2020,2021, igr2= 2041,2049, &end # # 131 HIS QB 132 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2020,2021, igr2= 2043,2047, &end # # 131 HIS HE1 132 PHE QE &rst iat= 2025, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 131 HIS H 133 LYS H &rst iat= 2016,2053, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS H 133 LYS QG &rst iat= 2016, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2060,2061, &end # # 131 HIS HA 133 LYS H &rst iat= 2018,2053, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS H 134 TRP H &rst iat= 2016,2075, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS HA 134 TRP H &rst iat= 2018,2075, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS HA 134 TRP HD1 &rst iat= 2018,2083, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS HA 134 TRP HE1 &rst iat= 2018,2085, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS HA 134 TRP HZ2 &rst iat= 2018,2088, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 131 HIS HA 135 VAL QG &rst iat= 2018, -1, r1= 0, r2= 0, r3= 7.965, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 131 HIS HE1 135 VAL QG &rst iat= 2025, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 132 PHE H 132 PHE QB &rst iat= 2033, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2037,2038, &end # # 132 PHE HA 132 PHE QD &rst iat= 2035, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2041,2049, &end # # 132 PHE HA 132 PHE QE &rst iat= 2035, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2043,2047, &end # # 132 PHE QD 132 PHE HZ &rst iat= -1,2045, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2041,2049, &end # # 132 PHE H 133 LYS H &rst iat= 2033,2053, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE H 133 LYS HA &rst iat= 2033,2055, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE H 133 LYS QB &rst iat= 2033, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2057,2058, &end # # 132 PHE H 133 LYS QG &rst iat= 2033, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2060,2061, &end # # 132 PHE QB 133 LYS H &rst iat= -1,2053, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2037,2038, &end # # 132 PHE QB 133 LYS HA &rst iat= -1,2055, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2037,2038, &end # # 132 PHE H 134 TRP HD1 &rst iat= 2033,2083, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE H 134 TRP HE1 &rst iat= 2033,2085, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE HA 134 TRP H &rst iat= 2035,2075, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE HA 134 TRP HD1 &rst iat= 2035,2083, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE HA 134 TRP HE1 &rst iat= 2035,2085, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE H 135 VAL QG &rst iat= 2033, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 132 PHE HA 135 VAL H &rst iat= 2035,2099, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE HA 135 VAL HA &rst iat= 2035,2101, r1= 0, r2= 0, r3= 5.6, r4= 6.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE HA 135 VAL HB &rst iat= 2035,2103, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 132 PHE HA 135 VAL QG &rst iat= 2035, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 132 PHE QB 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2037,2038, igr2= 2105,2106,2107,2109,2110,2111, &end # # 132 PHE QD 135 VAL HB &rst iat= -1,2103, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2041,2049, &end # # 132 PHE QD 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2041,2049, igr2= 2105,2106,2107,2109,2110,2111, &end # # 132 PHE QE 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2043,2047, igr2= 2105,2106,2107,2109,2110,2111, &end # # 132 PHE HA 136 LYS QB &rst iat= 2035, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2119,2120, &end # # 132 PHE HA 136 LYS QD &rst iat= 2035, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2125,2126, &end # # 132 PHE QB 136 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2037,2038, igr2= 2119,2120, &end # # 132 PHE QB 136 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2037,2038, igr2= 2122,2123, &end # # 132 PHE QB 136 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2037,2038, igr2= 2125,2126, &end # # 132 PHE QD 136 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2041,2049, igr2= 2128,2129, &end # # 133 LYS H 133 LYS QB &rst iat= 2053, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2057,2058, &end # # 133 LYS H 133 LYS QG &rst iat= 2053, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2060,2061, &end # # 133 LYS H 133 LYS QD &rst iat= 2053, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2063,2064, &end # # 133 LYS H 133 LYS QE &rst iat= 2053, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2066,2067, &end # # 133 LYS HA 133 LYS QG &rst iat= 2055, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2060,2061, &end # # 133 LYS HA 133 LYS QD &rst iat= 2055, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2063,2064, &end # # 133 LYS HA 133 LYS QE &rst iat= 2055, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2066,2067, &end # # 133 LYS QB 133 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2057,2058, igr2= 2063,2064, &end # # 133 LYS QB 133 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2057,2058, igr2= 2066,2067, &end # # 133 LYS QG 133 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2060,2061, igr2= 2066,2067, &end # # 133 LYS QD 133 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2063,2064, igr2= 2066,2067, &end # # 133 LYS H 134 TRP QB &rst iat= 2053, -1, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2079,2080, &end # # 133 LYS H 134 TRP HD1 &rst iat= 2053,2083, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 133 LYS HA 134 TRP HA &rst iat= 2055,2077, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 133 LYS HA 134 TRP HD1 &rst iat= 2055,2083, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 133 LYS QB 134 TRP H &rst iat= -1,2075, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2057,2058, &end # # 133 LYS QB 134 TRP HA &rst iat= -1,2077, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2057,2058, &end # # 133 LYS QB 134 TRP HD1 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2057,2058, &end # # 133 LYS QB 134 TRP HE1 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2057,2058, &end # # 133 LYS QG 134 TRP H &rst iat= -1,2075, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2060,2061, &end # # 133 LYS QG 134 TRP HD1 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2060,2061, &end # # 133 LYS QG 134 TRP HE1 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2060,2061, &end # # 133 LYS QD 134 TRP H &rst iat= -1,2075, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2063,2064, &end # # 133 LYS QD 134 TRP HA &rst iat= -1,2077, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2063,2064, &end # # 133 LYS QD 134 TRP HD1 &rst iat= -1,2083, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2063,2064, &end # # 133 LYS QD 134 TRP HE1 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2063,2064, &end # # 133 LYS QE 134 TRP H &rst iat= -1,2075, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2066,2067, &end # # 133 LYS QE 134 TRP HA &rst iat= -1,2077, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2066,2067, &end # # 133 LYS QE 134 TRP HD1 &rst iat= -1,2083, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2066,2067, &end # # 133 LYS QE 134 TRP HE1 &rst iat= -1,2085, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2066,2067, &end # # 133 LYS H 135 VAL QG &rst iat= 2053, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 133 LYS HA 135 VAL H &rst iat= 2055,2099, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 133 LYS HA 135 VAL QG &rst iat= 2055, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 133 LYS QB 135 VAL H &rst iat= -1,2099, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2057,2058, &end # # 133 LYS QG 135 VAL H &rst iat= -1,2099, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2060,2061, &end # # 133 LYS QG 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.072, r4= 9.828, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2060,2061, igr2= 2105,2106,2107,2109,2110,2111, &end # # 133 LYS QD 135 VAL H &rst iat= -1,2099, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2063,2064, &end # # 133 LYS QD 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.7696, r4= 9.5256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2063,2064, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP H 134 TRP QB &rst iat= 2075, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2079,2080, &end # # 134 TRP H 134 TRP HD1 &rst iat= 2075,2083, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP H 134 TRP HE1 &rst iat= 2075,2085, r1= 0, r2= 0, r3= 5.7, r4= 6.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP H 134 TRP HE3 &rst iat= 2075,2094, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP HA 134 TRP HE3 &rst iat= 2077,2094, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP QB 134 TRP HD1 &rst iat= -1,2083, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2079,2080, &end # # 134 TRP QB 134 TRP HE1 &rst iat= -1,2085, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2079,2080, &end # # 134 TRP QB 134 TRP HE3 &rst iat= -1,2094, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2079,2080, &end # # 134 TRP QB 134 TRP HZ3 &rst iat= -1,2092, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2079,2080, &end # # 134 TRP H 135 VAL H &rst iat= 2075,2099, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP H 135 VAL HA &rst iat= 2075,2101, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP H 135 VAL QG &rst iat= 2075, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP HA 135 VAL HA &rst iat= 2077,2101, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP HA 135 VAL QG &rst iat= 2077, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP QB 135 VAL H &rst iat= -1,2099, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2079,2080, &end # # 134 TRP QB 135 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2079,2080, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP HD1 135 VAL H &rst iat= 2083,2099, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP HD1 135 VAL QG &rst iat= 2083, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP HE1 135 VAL H &rst iat= 2085,2099, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP HE3 135 VAL HA &rst iat= 2094,2101, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP HE3 135 VAL HB &rst iat= 2094,2103, r1= 0, r2= 0, r3= 5.8, r4= 6.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP HE1 135 VAL QG &rst iat= 2085, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP HE3 135 VAL QG &rst iat= 2094, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP HZ3 135 VAL HA &rst iat= 2092,2101, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 134 TRP HZ2 135 VAL QG &rst iat= 2088, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP HZ3 135 VAL QG &rst iat= 2092, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 134 TRP HH2 135 VAL QG &rst iat= 2090, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 135 VAL H 135 VAL HB &rst iat= 2099,2103, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL H 135 VAL QG &rst iat= 2099, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 135 VAL HA 135 VAL QG &rst iat= 2101, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2105,2106,2107,2109,2110,2111, &end # # 135 VAL H 136 LYS H &rst iat= 2099,2115, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL H 136 LYS QB &rst iat= 2099, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2119,2120, &end # # 135 VAL HA 136 LYS H &rst iat= 2101,2115, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL HA 136 LYS QB &rst iat= 2101, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2119,2120, &end # # 135 VAL HB 136 LYS H &rst iat= 2103,2115, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL HB 136 LYS HA &rst iat= 2103,2117, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL HB 136 LYS QD &rst iat= 2103, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2125,2126, &end # # 135 VAL QG 136 LYS H &rst iat= -1,2115, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2105,2106,2107,2109,2110,2111, &end # # 135 VAL QG 136 LYS HA &rst iat= -1,2117, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2105,2106,2107,2109,2110,2111, &end # # 135 VAL QG 136 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2105,2106,2107,2109,2110,2111, igr2= 2119,2120, &end # # 135 VAL QG 136 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.4672, r4= 9.2232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2105,2106,2107,2109,2110,2111, igr2= 2125,2126, &end # # 135 VAL H 137 GLN H &rst iat= 2099,2137, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL HA 137 GLN H &rst iat= 2101,2137, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL HB 137 GLN H &rst iat= 2103,2137, r1= 0, r2= 0, r3= 6, r4= 6.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL HB 137 GLN QE &rst iat= 2103, -1, r1= 0, r2= 0, r3= 6.384, r4= 6.944, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2149,2150, &end # # 135 VAL QG 137 GLN H &rst iat= -1,2137, r1= 0, r2= 0, r3= 7.695, r4= 8.37, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2105,2106,2107,2109,2110,2111, &end # # 135 VAL QG 137 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2105,2106,2107,2109,2110,2111, igr2= 2144,2145, &end # # 135 VAL H 138 GLU H &rst iat= 2099,2154, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 135 VAL QG 138 GLU H &rst iat= -1,2154, r1= 0, r2= 0, r3= 8.1, r4= 8.775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2105,2106,2107,2109,2110,2111, &end # # 136 LYS H 136 LYS QB &rst iat= 2115, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2119,2120, &end # # 136 LYS H 136 LYS QG &rst iat= 2115, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2122,2123, &end # # 136 LYS H 136 LYS QE &rst iat= 2115, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2128,2129, &end # # 136 LYS HA 136 LYS QG &rst iat= 2117, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2122,2123, &end # # 136 LYS HA 136 LYS QD &rst iat= 2117, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2125,2126, &end # # 136 LYS QB 136 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2119,2120, igr2= 2125,2126, &end # # 136 LYS QB 136 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2119,2120, igr2= 2128,2129, &end # # 136 LYS QG 136 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2122,2123, igr2= 2128,2129, &end # # 136 LYS H 137 GLN H &rst iat= 2115,2137, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 136 LYS H 137 GLN QG &rst iat= 2115, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2144,2145, &end # # 136 LYS HA 137 GLN H &rst iat= 2117,2137, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 136 LYS HA 137 GLN QG &rst iat= 2117, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2144,2145, &end # # 136 LYS QB 137 GLN H &rst iat= -1,2137, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2119,2120, &end # # 136 LYS QB 137 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2119,2120, igr2= 2149,2150, &end # # 136 LYS QD 137 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.5264, r4= 8.1536, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2125,2126, igr2= 2149,2150, &end # # 136 LYS QB 138 GLU HA &rst iat= -1,2156, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2119,2120, &end # # 136 LYS QB 138 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2119,2120, igr2= 2161,2162, &end # # 136 LYS QG 138 GLU H &rst iat= -1,2154, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2122,2123, &end # # 136 LYS QD 138 GLU H &rst iat= -1,2154, r1= 0, r2= 0, r3= 6.496, r4= 7.056, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2125,2126, &end # # 136 LYS QD 138 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2125,2126, igr2= 2161,2162, &end # # 136 LYS QE 138 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2128,2129, igr2= 2161,2162, &end # # 137 GLN H 137 GLN QB &rst iat= 2137, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2141,2142, &end # # 137 GLN H 137 GLN QG &rst iat= 2137, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2144,2145, &end # # 137 GLN H 137 GLN QE &rst iat= 2137, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2149,2150, &end # # 137 GLN HA 137 GLN QB &rst iat= 2139, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2141,2142, &end # # 137 GLN HA 137 GLN QG &rst iat= 2139, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2144,2145, &end # # 137 GLN QB 137 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2141,2142, igr2= 2144,2145, &end # # 137 GLN QB 137 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2141,2142, igr2= 2149,2150, &end # # 137 GLN H 138 GLU H &rst iat= 2137,2154, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 137 GLN HA 138 GLU H &rst iat= 2139,2154, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 137 GLN HA 138 GLU HA &rst iat= 2139,2156, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 137 GLN HA 138 GLU QG &rst iat= 2139, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2161,2162, &end # # 137 GLN QB 138 GLU H &rst iat= -1,2154, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2141,2142, &end # # 137 GLN QG 138 GLU H &rst iat= -1,2154, r1= 0, r2= 0, r3= 6.272, r4= 6.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2144,2145, &end # # 138 GLU H 138 GLU QB &rst iat= 2154, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2158,2159, &end # # 138 GLU H 138 GLU QG &rst iat= 2154, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2161,2162, &end # # 138 GLU HA 138 GLU QG &rst iat= 2156, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2161,2162, &end # # 138 GLU QB 138 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.26144, r4= 3.88864, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2158,2159, igr2= 2161,2162, &end # # 141 ILE H 141 ILE HA &rst iat= 2200,2202, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 141 ILE H 141 ILE QG1 &rst iat= 2200, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2210,2211, &end # # 141 ILE H 141 ILE QG2 &rst iat= 2200, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2206,2207,2208, &end # # 141 ILE H 141 ILE QD1 &rst iat= 2200, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2213,2214,2215, &end # # 141 ILE HA 142 THR H &rst iat= 2202,2219, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 141 ILE QG1 142 THR H &rst iat= -1,2219, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2210,2211, &end # # 141 ILE QG2 142 THR H &rst iat= -1,2219, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2206,2207,2208, &end # # 141 ILE QG2 143 SER H &rst iat= -1,2233, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2206,2207,2208, &end # # 142 THR H 142 THR HA &rst iat= 2219,2221, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 142 THR H 142 THR QG2 &rst iat= 2219, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2225,2226,2227, &end # # 142 THR HA 143 SER H &rst iat= 2221,2233, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 142 THR HB 143 SER H &rst iat= 2223,2233, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 142 THR QG2 143 SER H &rst iat= -1,2233, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2225,2226,2227, &end # # 143 SER H 143 SER HA &rst iat= 2233,2235, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 143 SER H 143 SER QB &rst iat= 2233, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2237,2238, &end # # 143 SER H 144 GLN H &rst iat= 2233,2244, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 143 SER HA 144 GLN H &rst iat= 2235,2244, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 143 SER QB 144 GLN H &rst iat= -1,2244, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2237,2238, &end # # 144 GLN H 144 GLN HA &rst iat= 2244,2246, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 144 GLN H 144 GLN QB &rst iat= 2244, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2248,2249, &end # # 144 GLN H 144 GLN QG &rst iat= 2244, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2251,2252, &end # # 144 GLN QB 144 GLN QE2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2248,2249, igr2= 2256,2257, &end # # 144 GLN QG 144 GLN QE2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2251,2252, igr2= 2256,2257, &end # # 144 GLN H 145 VAL H &rst iat= 2244,2261, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 144 GLN HA 145 VAL H &rst iat= 2246,2261, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 144 GLN QB 145 VAL H &rst iat= -1,2261, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2248,2249, &end # # 144 GLN QG 145 VAL H &rst iat= -1,2261, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2251,2252, &end # # 145 VAL H 145 VAL HA &rst iat= 2261,2263, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 145 VAL H 145 VAL HB &rst iat= 2261,2265, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 145 VAL H 145 VAL QG &rst iat= 2261, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 145 VAL H 146 T2P H &rst iat= 2261,2277, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 145 VAL HA 146 T2P H &rst iat= 2263,2277, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 145 VAL HB 146 T2P H &rst iat= 2265,2277, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 145 VAL QG 146 T2P H &rst iat= -1,2277, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2267,2268,2269,2271,2272,2273, &end # # 146 T2P H 146 T2P HA &rst iat= 2277,2279, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 146 T2P H 146 T2P HB &rst iat= 2277,2281, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 146 T2P H 146 T2P QG2 &rst iat= 2277, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2283,2284,2285, &end # # 146 T2P HA 147 GLY H &rst iat= 2279,2294, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 146 T2P HB 147 GLY H &rst iat= 2281,2294, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 146 T2P QG2 147 GLY H &rst iat= -1,2294, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, &end # # 146 T2P QG2 148 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, igr2= 2308,2309, &end # # 146 T2P QG2 148 GLN QE2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, igr2= 2313,2314, &end # # 146 T2P HA 149 ILE H &rst iat= 2279,2318, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 146 T2P QG2 149 ILE H &rst iat= -1,2318, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, &end # # 146 T2P QG2 149 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, igr2= 2324,2325,2326, &end # # 146 T2P QG2 150 GLY H &rst iat= -1,2337, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, &end # # 146 T2P QG2 151 TRP H &rst iat= -1,2344, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, &end # # 146 T2P QG2 151 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, igr2= 2348,2349, &end # # 146 T2P QG2 151 TRP HD1 &rst iat= -1,2352, r1= 0, r2= 0, r3= 3.48, r4= 4.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, &end # # 146 T2P QG2 151 TRP HZ2 &rst iat= -1,2357, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2283,2284,2285, &end # # 147 GLY H 147 GLY QA &rst iat= 2294, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2296,2297, &end # # 147 GLY H 148 GLN H &rst iat= 2294,2301, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 147 GLY H 149 ILE H &rst iat= 2294,2318, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 148 GLN H 148 GLN QB &rst iat= 2301, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2305,2306, &end # # 148 GLN H 148 GLN QG &rst iat= 2301, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2308,2309, &end # # 148 GLN QG 148 GLN QE2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2308,2309, igr2= 2313,2314, &end # # 148 GLN H 149 ILE H &rst iat= 2301,2318, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 148 GLN HA 149 ILE H &rst iat= 2303,2318, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 148 GLN QB 149 ILE H &rst iat= -1,2318, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2305,2306, &end # # 148 GLN QG 149 ILE H &rst iat= -1,2318, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2308,2309, &end # # 148 GLN QE2 149 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2313,2314, igr2= 2324,2325,2326, &end # # 149 ILE H 149 ILE HA &rst iat= 2318,2320, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 149 ILE H 149 ILE QG1 &rst iat= 2318, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2328,2329, &end # # 149 ILE H 150 GLY H &rst iat= 2318,2337, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 149 ILE HA 150 GLY H &rst iat= 2320,2337, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 149 ILE HB 150 GLY H &rst iat= 2322,2337, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 149 ILE QG1 150 GLY H &rst iat= -1,2337, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2328,2329, &end # # 149 ILE QG2 150 GLY H &rst iat= -1,2337, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2324,2325,2326, &end # # 149 ILE H 151 TRP H &rst iat= 2318,2344, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 149 ILE QG2 151 TRP H &rst iat= -1,2344, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2324,2325,2326, &end # # 149 ILE QG2 151 TRP HD1 &rst iat= -1,2352, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2324,2325,2326, &end # # 149 ILE QG2 151 TRP HZ2 &rst iat= -1,2357, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2324,2325,2326, &end # # 150 GLY H 150 GLY QA &rst iat= 2337, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2339,2340, &end # # 150 GLY H 151 TRP H &rst iat= 2337,2344, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 150 GLY H 151 TRP QB &rst iat= 2337, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2348,2349, &end # # 150 GLY QA 151 TRP H &rst iat= -1,2344, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2339,2340, &end # # 150 GLY QA 151 TRP HD1 &rst iat= -1,2352, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2339,2340, &end # # 151 TRP H 151 TRP HA &rst iat= 2344,2346, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP HA 151 TRP HD1 &rst iat= 2346,2352, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP HA 151 TRP HE3 &rst iat= 2346,2363, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP QB 151 TRP HD1 &rst iat= -1,2352, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2348,2349, &end # # 151 TRP QB 151 TRP HE3 &rst iat= -1,2363, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2348,2349, &end # # 151 TRP HE1 151 TRP HZ2 &rst iat= 2354,2357, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP HZ2 151 TRP HH2 &rst iat= 2357,2359, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP HZ3 151 TRP HH2 &rst iat= 2361,2359, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP H 152 ARG HA &rst iat= 2344,2370, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP H 152 ARG QG &rst iat= 2344, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2375,2376, &end # # 151 TRP HA 152 ARG H &rst iat= 2346,2368, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP QB 152 ARG H &rst iat= -1,2368, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 2348,2349, &end # # 151 TRP HD1 152 ARG HA &rst iat= 2352,2370, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP HD1 152 ARG QB &rst iat= 2352, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2372,2373, &end # # 151 TRP HD1 152 ARG QG &rst iat= 2352, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2375,2376, &end # # 151 TRP HE3 152 ARG H &rst iat= 2363,2368, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 151 TRP HE3 152 ARG QB &rst iat= 2363, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2372,2373, &end # # 151 TRP HE3 152 ARG QG &rst iat= 2363, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2375,2376, &end # # 152 ARG HA 153 ARG H &rst iat= 2370,2392, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 153 ARG H 153 ARG HA &rst iat= 2392,2394, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 ALA QB 144 GLN HA &rst iat= -1,2246, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, &end # # 38 ALA HA 145 VAL QG &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 38 ALA QB 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583,584, igr2= 2267,2268,2269,2271,2272,2273, &end # # 39 SER HA 145 VAL QG &rst iat= 590, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 39 SER QB 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3848, r4= 5.1408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 592,593, igr2= 2267,2268,2269,2271,2272,2273, &end # # 43 LEU QD 142 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.698, r4= 5.508, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, igr2= 2225,2226,2227, &end # # 43 LEU QD 143 SER HA &rst iat= -1,2235, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, &end # # 43 LEU QD 143 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, igr2= 2237,2238, &end # # 43 LEU QD 144 GLN HA &rst iat= -1,2246, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, &end # # 43 LEU QD 144 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, igr2= 2248,2249, &end # # 43 LEU QD 144 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, igr2= 2251,2252, &end # # 43 LEU QD 145 VAL HA &rst iat= -1,2263, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, &end # # 43 LEU QD 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667,668,670,671,672, igr2= 2267,2268,2269,2271,2272,2273, &end # # 89 THR HA 145 VAL QG &rst iat= 1383, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 89 THR HB 145 VAL QG &rst iat= 1385, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 89 THR QG2 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1387,1388,1389, igr2= 2267,2268,2269,2271,2272,2273, &end # # 90 VAL QG 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402,1403,1405,1406,1407, igr2= 2267,2268,2269,2271,2272,2273, &end # # 91 THR HA 145 VAL QG &rst iat= 1413, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 91 THR HB 145 VAL QG &rst iat= 1415, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 91 THR QG2 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.698, r4= 5.508, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1417,1418,1419, igr2= 2267,2268,2269,2271,2272,2273, &end # # 92 ASP HA 145 VAL QG &rst iat= 1427, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 92 ASP QB 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3848, r4= 5.1408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1429,1430, igr2= 2267,2268,2269,2271,2272,2273, &end # # 93 SER H 145 VAL HB &rst iat= 1437,2265, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 SER H 145 VAL QG &rst iat= 1437, -1, r1= 0, r2= 0, r3= 3.375, r4= 4.05, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 93 SER HA 145 VAL QG &rst iat= 1439, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 93 SER QB 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3848, r4= 5.1408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1441,1442, igr2= 2267,2268,2269,2271,2272,2273, &end # # 93 SER H 146 T2P HA &rst iat= 1437,2279, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 SER H 146 T2P HB &rst iat= 1437,2281, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 SER H 146 T2P QG2 &rst iat= 1437, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2283,2284,2285, &end # # 94 SER HA 145 VAL QG &rst iat= 1450, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 2267,2268,2269,2271,2272,2273, &end # # 94 SER QB 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1452,1453, igr2= 2267,2268,2269,2271,2272,2273, &end # # 96 TYR QE 145 VAL HA &rst iat= -1,2263, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1493,1498, &end # # 96 TYR QE 145 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1493,1498, igr2= 2267,2268,2269,2271,2272,2273, &end # # 122 PHE QD 152 ARG HA &rst iat= -1,2370, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891, &end # # 122 PHE QD 152 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891, igr2= 2372,2373, &end # # 122 PHE QD 152 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891, igr2= 2378,2379, &end # # 122 PHE QE 152 ARG HA &rst iat= -1,2370, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, &end # # 122 PHE QE 152 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, igr2= 2372,2373, &end # # 122 PHE QE 152 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, igr2= 2375,2376, &end # # 122 PHE QE 152 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, igr2= 2378,2379, &end # # 122 PHE QD 153 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1883,1891, igr2= 2399,2400, &end # # 122 PHE QE 153 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, igr2= 2399,2400, &end # # 122 PHE QE 153 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1885,1889, igr2= 2402,2403, &end #
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