NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
604009 | 5ipo | 30033 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: RST # # 15 VAL HN 15 VAL QG2 3.03 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr2= 230, 231, 232, &end # # 15 VAL HA 15 VAL QG2 2.83 &rst ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr2= 230, 231, 232, &end # # 12 PHE HN 15 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 230, 231, 232, &end # # 6 LYS HA 7 ASN HN 3.36 &rst ixpk= 0, nxpk= 0, iat= 88, 108, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 6 LYS HA 6 LYS QD 4.36 &rst ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 96, 97, &end # # 14 ASN HN 35 HIS HA 5.16 &rst ixpk= 0, nxpk= 0, iat= 206, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 13 ALA HN 13 ALA QB 3.07 &rst ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 200, 201, 202, &end # # 13 ALA HN 15 VAL HN 4.84 &rst ixpk= 0, nxpk= 0, iat= 196, 220, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 12 PHE HA 13 ALA HN 2.74 &rst ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 13 ALA HN 13 ALA HA 2.68 &rst ixpk= 0, nxpk= 0, iat= 196, 198, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end # # 12 PHE HD 13 ALA HN 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 184, 192, &end # # 6 LYS HN 6 LYS HB3 3.78 &rst ixpk= 0, nxpk= 0, iat= 86, 91, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 6 LYS HN 7 ASN HA 4.90 &rst ixpk= 0, nxpk= 0, iat= 86, 110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 23 ARG HN 23 ARG HB3 3.74 &rst ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 43 VAL HB 44 PRO HD2 3.30 &rst ixpk= 0, nxpk= 0, iat= 633, 646, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 7 ASN QB 7 ASN HD21 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 112, 113, &end # # 7 ASN HA 7 ASN HD21 4.19 &rst ixpk= 0, nxpk= 0, iat= 110, 117, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 8 GLN HE21 37 THR QG2 4.15 &rst ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 550, 551, 552, &end # # 43 VAL HN 44 PRO HD2 4.87 &rst ixpk= 0, nxpk= 0, iat= 629, 646, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 43 VAL HN 43 VAL HB 3.93 &rst ixpk= 0, nxpk= 0, iat= 629, 633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 42 GLY HA3 43 VAL HN 2.71 &rst ixpk= 0, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end # # 43 VAL HN 43 VAL QG2 2.63 &rst ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, igr2= 639, 640, 641, &end # # 43 VAL HN 43 VAL QG1 2.92 &rst ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 635, 636, 637, &end # # 31 GLU HB3 43 VAL HN 4.22 &rst ixpk= 0, nxpk= 0, iat= 474, 629, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 42 GLY HN 43 VAL HN 3.85 &rst ixpk= 0, nxpk= 0, iat= 622, 629, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 4 MET HA 5 ALA HN 2.46 &rst ixpk= 0, nxpk= 0, iat= 61, 76, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end # # 6 LYS HN 7 ASN HN 2.68 &rst ixpk= 0, nxpk= 0, iat= 86, 108, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end # # 5 ALA HN 5 ALA QB 2.96 &rst ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 80, 81, 82, &end # # 40 LYS HA 40 LYS QD 4.42 &rst ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 600, 601, &end # # 40 LYS HB3 40 LYS QD 3.18 &rst ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2= 600, 601, &end # # 40 LYS HB2 40 LYS QD 3.18 &rst ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2= 600, 601, &end # # 30 LYS QG 41 CYX HB3 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 454, 455, &end # # 30 LYS QG 30 LYS HNZ 4.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 454, 455, igr2= 463, 464, 465, &end # # 30 LYS QG 30 LYS QE 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 454, 455, igr2= 460, 461, &end # # 30 LYS QG 41 CYX HB2 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 454, 455, &end # # 30 LYS HA 30 LYS QG 4.10 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 454, 455, &end # # 35 HIS HA 35 HIS HD2 4.51 &rst ixpk= 0, nxpk= 0, iat= 522, 533, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 35 HIS HD2 40 LYS QD 4.52 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 600, 601, &end # # 33 ILE QD1 35 HIS HD2 3.19 &rst ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr1= 504, 505, 506, &end # # 35 HIS HD2 40 LYS HB3 3.81 &rst ixpk= 0, nxpk= 0, iat= 533, 595, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 35 HIS HD2 40 LYS HN 4.15 &rst ixpk= 0, nxpk= 0, iat= 533, 590, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 35 HIS HD2 40 LYS HB2 3.81 &rst ixpk= 0, nxpk= 0, iat= 533, 594, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 35 HIS HN 35 HIS HD2 3.98 &rst ixpk= 0, nxpk= 0, iat= 520, 533, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 35 HIS HD2 40 LYS QG 4.02 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2= 597, 598, &end # # 28 GLU HB3 28 GLU HG2 2.85 &rst ixpk= 0, nxpk= 0, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 7 ASN HA 7 ASN QB 2.91 &rst ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2= 112, 113, &end # # 7 ASN QB 8 GLN HN 3.43 &rst ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1= 112, 113, &end # # 33 ILE HN 40 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 491, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 GLY HN 33 ILE HN 4.38 &rst ixpk= 0, nxpk= 0, iat= 484, 491, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 30 LYS QB 31 GLU HN 3.13 &rst ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr1= 451, 452, &end # # 31 GLU HN 31 GLU HB2 3.75 &rst ixpk= 0, nxpk= 0, iat= 469, 473, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 31 GLU HN 31 GLU HG3 3.72 &rst ixpk= 0, nxpk= 0, iat= 469, 477, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 30 LYS HA 31 GLU HN 2.90 &rst ixpk= 0, nxpk= 0, iat= 449, 469, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 31 GLU HN 31 GLU HB3 3.75 &rst ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 40 LYS HA 41 CYX HN 2.79 &rst ixpk= 0, nxpk= 0, iat= 592, 612, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end # # 40 LYS HB3 41 CYX HN 4.73 &rst ixpk= 0, nxpk= 0, iat= 595, 612, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 41 CYX HN 41 CYX HB3 3.74 &rst ixpk= 0, nxpk= 0, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 40 LYS HB2 41 CYX HN 4.73 &rst ixpk= 0, nxpk= 0, iat= 594, 612, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 17 VAL HB 18 LYS HN 3.45 &rst ixpk= 0, nxpk= 0, iat= 252, 264, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 18 LYS HN 18 LYS HNZ 5.09 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2= 280, 281, 282, &end # # 18 LYS HN 18 LYS HG3 4.14 &rst ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 18 LYS HN 18 LYS QB 4.14 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 268, 269, &end # # 18 LYS HN 18 LYS QE 5.33 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2= 277, 278, &end # # 18 LYS HN 19 GLY HN 3.58 &rst ixpk= 0, nxpk= 0, iat= 264, 286, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 18 LYS HN 18 LYS HG2 4.14 &rst ixpk= 0, nxpk= 0, iat= 264, 271, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 17 VAL QG2 18 LYS HN 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 258, 259, 260, &end # # 8 GLN HA 9 PHE HD 4.36 &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 147, 155, &end # # 9 PHE HN 9 PHE HD 3.99 &rst ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 147, 155, &end # # 8 GLN HB3 9 PHE HD 4.79 &rst ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 147, 155, &end # # 9 PHE HD 10 GLY HN 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 147, 155, &end # # 44 PRO HA 46 SER HN 4.50 &rst ixpk= 0, nxpk= 0, iat= 655, 678, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 ILE HN 46 SER HN 3.55 &rst ixpk= 0, nxpk= 0, iat= 659, 678, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 15 VAL HB 16 ASP HN 4.78 &rst ixpk= 0, nxpk= 0, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 25 CYX HB3 42 GLY HN 5.21 &rst ixpk= 0, nxpk= 0, iat= 383, 622, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 6 LYS HG2 6 LYS HNZ 4.85 &rst ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2= 102, 103, 104, &end # # 3 LYS HA 3 LYS QD 3.64 &rst ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2= 47, 48, &end # # 31 GLU HN 32 GLY HN 5.46 &rst ixpk= 0, nxpk= 0, iat= 469, 484, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 25 CYX HB3 32 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 383, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 GLU HG2 32 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 476, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 GLU HG3 32 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 477, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 GLU HA 32 GLY HN 2.67 &rst ixpk= 0, nxpk= 0, iat= 471, 484, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end # # 25 CYX HB2 32 GLY HN 4.13 &rst ixpk= 0, nxpk= 0, iat= 382, 484, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 31 GLU HB3 32 GLY HN 3.86 &rst ixpk= 0, nxpk= 0, iat= 474, 484, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 22 LYS HB3 22 LYS HNZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 331, 332, 333, &end # # 22 LYS HB3 22 LYS QD 3.97 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 325, 326, &end # # 17 VAL HN 17 VAL HB 3.83 &rst ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 29 ASP HN 30 LYS HN 3.15 &rst ixpk= 0, nxpk= 0, iat= 435, 447, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 30 LYS HN 30 LYS QB 3.79 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 451, 452, &end # # 29 ASP HA 30 LYS HN 3.10 &rst ixpk= 0, nxpk= 0, iat= 437, 447, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 26 LYS HA 30 LYS HN 3.30 &rst ixpk= 0, nxpk= 0, iat= 390, 447, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 25 CYX HB3 30 LYS HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 383, 447, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 30 LYS HN 45 ILE QG2 4.10 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2= 665, 666, 667, &end # # 28 GLU HN 30 LYS HN 3.65 &rst ixpk= 0, nxpk= 0, iat= 420, 447, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 28 GLU HB2 30 LYS HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 424, 447, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 44 PRO HA 45 ILE HG13 4.32 &rst ixpk= 0, nxpk= 0, iat= 655, 670, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 46 SER HN 46 SER HB3 3.43 &rst ixpk= 0, nxpk= 0, iat= 678, 683, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 46 SER HB3 47 TYR HN 4.48 &rst ixpk= 0, nxpk= 0, iat= 683, 689, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 9 PHE HB3 21 CYX HA 4.25 &rst ixpk= 0, nxpk= 0, iat= 144, 307, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 9 PHE HB3 24 HIS HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 144, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 GLN HG2 11 CYX HN 3.88 &rst ixpk= 0, nxpk= 0, iat= 129, 166, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 11 CYX HN 12 PHE HA 5.09 &rst ixpk= 0, nxpk= 0, iat= 166, 178, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 11 CYX HN 11 CYX HB3 4.05 &rst ixpk= 0, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 9 PHE HD 11 CYX HN 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 147, 155, &end # # 11 CYX HN 34 CYX QB 5.36 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2= 514, 515, &end # # 11 CYX HN 11 CYX HB2 4.05 &rst ixpk= 0, nxpk= 0, iat= 166, 170, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 10 GLY HN 11 CYX HN 3.10 &rst ixpk= 0, nxpk= 0, iat= 159, 166, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 11 CYX HN 12 PHE HN 4.43 &rst ixpk= 0, nxpk= 0, iat= 166, 176, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 29 ASP HN 29 ASP HB3 4.08 &rst ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 28 GLU HG2 29 ASP HN 5.36 &rst ixpk= 0, nxpk= 0, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 27 ALA HN 29 ASP HN 4.17 &rst ixpk= 0, nxpk= 0, iat= 410, 435, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 28 GLU HA 29 ASP HN 3.45 &rst ixpk= 0, nxpk= 0, iat= 422, 435, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 29 ASP HN 29 ASP HA 2.54 &rst ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end # # 27 ALA QB 29 ASP HN 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 414, 415, 416, &end # # 29 ASP HN 45 ILE QG2 4.91 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 665, 666, 667, &end # # 28 GLU HN 29 ASP HN 2.76 &rst ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 9 PHE HE 39 CYX HB2 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 149, 153, &end # # 9 PHE HB3 9 PHE HE 4.65 &rst ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 149, 153, &end # # 9 PHE HE 24 HIS QB 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 149, 153, igr2= 365, 366, &end # # 9 PHE HA 9 PHE HE 5.24 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 149, 153, &end # # 9 PHE HE 39 CYX HB3 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 149, 153, &end # # 9 PHE HN 9 PHE HE 5.12 &rst ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 149, 153, &end # # 22 LYS QD 26 LYS HN 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 325, 326, &end # # 23 ARG HA 23 ARG HE 5.22 &rst ixpk= 0, nxpk= 0, iat= 339, 350, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 23 ARG HA 26 LYS HB3 3.16 &rst ixpk= 0, nxpk= 0, iat= 339, 393, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 23 ARG HA 23 ARG HD3 4.84 &rst ixpk= 0, nxpk= 0, iat= 339, 348, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 23 ARG HA 23 ARG QG 4.13 &rst ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 344, 345, &end # # 9 PHE HB2 11 CYX HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 143, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 HIS HD2 32 GLY HA3 4.86 &rst ixpk= 0, nxpk= 0, iat= 374, 487, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 33 ILE HA 33 ILE QD1 3.80 &rst ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 504, 505, 506, &end # # 33 ILE QG2 33 ILE QD1 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 497, 498, 499, igr2= 504, 505, 506, &end # # 33 ILE HB 33 ILE QD1 3.14 &rst ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 504, 505, 506, &end # # 9 PHE HZ 24 HIS QB 5.27 &rst ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2= 365, 366, &end # # 9 PHE HN 9 PHE HB2 3.79 &rst ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 33 ILE HA 33 ILE QG2 3.60 &rst ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 497, 498, 499, &end # # 33 ILE HA 34 CYX HN 2.53 &rst ixpk= 0, nxpk= 0, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end # # 33 ILE HA 33 ILE HG13 3.56 &rst ixpk= 0, nxpk= 0, iat= 493, 502, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 27 ALA QB 28 GLU HG2 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 414, 415, 416, &end # # 23 ARG HA 27 ALA HN 4.69 &rst ixpk= 0, nxpk= 0, iat= 339, 410, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 26 LYS HB3 27 ALA HN 3.44 &rst ixpk= 0, nxpk= 0, iat= 393, 410, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 27 ALA HN 27 ALA QB 2.46 &rst ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, igr2= 414, 415, 416, &end # # 27 ALA HN 28 GLU HG2 4.92 &rst ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 25 CYX HA 27 ALA HN 4.39 &rst ixpk= 0, nxpk= 0, iat= 380, 410, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 26 LYS HB2 27 ALA HN 4.13 &rst ixpk= 0, nxpk= 0, iat= 392, 410, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 27 ALA HN 27 ALA HA 2.90 &rst ixpk= 0, nxpk= 0, iat= 410, 412, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 25 CYX HN 27 ALA HN 4.92 &rst ixpk= 0, nxpk= 0, iat= 378, 410, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 35 HIS HA 36 GLY HN 3.14 &rst ixpk= 0, nxpk= 0, iat= 522, 537, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 34 CYX QB 36 GLY HN 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 514, 515, &end # # 36 GLY HN 37 THR HN 5.23 &rst ixpk= 0, nxpk= 0, iat= 537, 544, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 14 ASN HA 36 GLY HN 3.76 &rst ixpk= 0, nxpk= 0, iat= 208, 537, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 13 ALA QB 15 VAL HN 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 200, 201, 202, &end # # 30 LYS QB 30 LYS HNZ 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 451, 452, igr2= 463, 464, 465, &end # # 46 SER HA 47 TYR HN 2.76 &rst ixpk= 0, nxpk= 0, iat= 680, 689, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 47 TYR HN 47 TYR HB2 3.34 &rst ixpk= 0, nxpk= 0, iat= 689, 693, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 23 ARG HA 25 CYX HN 4.63 &rst ixpk= 0, nxpk= 0, iat= 339, 378, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 47 TYR HN 48 LEU HN 3.25 &rst ixpk= 0, nxpk= 0, iat= 689, 710, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 3 LYS QD 7 ASN QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 47, 48, igr2= 112, 113, &end # # 28 GLU HA 28 GLU HG2 3.88 &rst ixpk= 0, nxpk= 0, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 3 LYS QB 3 LYS HG2 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1= 41, 42, &end # # 48 LEU HN 48 LEU QQD 4.72 &rst ixpk= 0, nxpk= 0, iat= 710, 716, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 12 PHE HA 12 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 184, 192, &end # # 12 PHE HA 37 THR QG2 3.85 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 550, 551, 552, &end # # 12 PHE HA 14 ASN HN 4.26 &rst ixpk= 0, nxpk= 0, iat= 178, 206, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 12 PHE HA 12 PHE HD 4.09 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 184, 192, &end # # 18 LYS HA 20 ASP HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 266, 293, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 23 ARG HB3 23 ARG HE 4.03 &rst ixpk= 0, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 23 ARG HN 23 ARG HE 5.10 &rst ixpk= 0, nxpk= 0, iat= 337, 350, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 23 ARG HB2 23 ARG HE 3.91 &rst ixpk= 0, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 2 HIS HA 3 LYS HN 3.06 &rst ixpk= 0, nxpk= 0, iat= 22, 37, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 3 LYS HN 3 LYS QD 3.72 &rst ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 47, 48, &end # # 3 LYS HN 3 LYS HG3 4.90 &rst ixpk= 0, nxpk= 0, iat= 37, 45, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 3 LYS HN 3 LYS HG2 4.90 &rst ixpk= 0, nxpk= 0, iat= 37, 44, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 3 LYS HN 3 LYS QE 4.77 &rst ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 50, 51, &end # # 3 LYS HN 3 LYS QB 4.03 &rst ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 41, 42, &end # # 4 MET HA 4 MET HG2 4.00 &rst ixpk= 0, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 4 MET HN 4 MET HG2 3.71 &rst ixpk= 0, nxpk= 0, iat= 59, 66, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 22 LYS HN 22 LYS HB3 3.33 &rst ixpk= 0, nxpk= 0, iat= 315, 320, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 21 CYX HB2 22 LYS HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 309, 315, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 20 ASP HA 22 LYS HN 4.72 &rst ixpk= 0, nxpk= 0, iat= 295, 315, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 22 LYS HN 23 ARG HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 315, 337, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 22 LYS HN 22 LYS HB2 3.33 &rst ixpk= 0, nxpk= 0, iat= 315, 319, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 22 LYS HN 22 LYS QD 4.66 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 325, 326, &end # # 21 CYX HB3 22 LYS HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 310, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 21 CYX HN 22 LYS HN 4.03 &rst ixpk= 0, nxpk= 0, iat= 305, 315, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 22 LYS HN 22 LYS QG 4.33 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 322, 323, &end # # 8 GLN HN 8 GLN HG2 4.06 &rst ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 9 PHE HA 11 CYX HN 4.78 &rst ixpk= 0, nxpk= 0, iat= 141, 166, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 9 PHE HA 9 PHE HD 4.69 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 147, 155, &end # # 30 LYS QB 41 CYX HB3 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1= 451, 452, &end # # 41 CYX HB3 42 GLY HA2 4.74 &rst ixpk= 0, nxpk= 0, iat= 617, 624, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 30 LYS QD 41 CYX HB3 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 457, 458, &end # # 41 CYX HB3 43 VAL HN 4.74 &rst ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 20 ASP QB 22 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 297, 298, &end # # 20 ASP QB 22 LYS QG 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 297, 298, igr2= 322, 323, &end # # 20 ASP QB 21 CYX HA 4.49 &rst ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 297, 298, &end # # 39 CYX HN 39 CYX HB2 3.44 &rst ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 38 LYS HB3 39 CYX HN 3.91 &rst ixpk= 0, nxpk= 0, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 39 CYX HN 39 CYX HB3 3.44 &rst ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 8 GLN HA 39 CYX HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 124, 580, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 38 LYS HA 39 CYX HN 2.63 &rst ixpk= 0, nxpk= 0, iat= 560, 580, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end # # 39 CYX HB2 40 LYS HN 4.62 &rst ixpk= 0, nxpk= 0, iat= 584, 590, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 40 LYS HN 40 LYS QD 5.18 &rst ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2= 600, 601, &end # # 40 LYS HN 41 CYX HN 4.42 &rst ixpk= 0, nxpk= 0, iat= 590, 612, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 33 ILE QD1 40 LYS HN 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 504, 505, 506, &end # # 40 LYS HN 40 LYS HB3 3.89 &rst ixpk= 0, nxpk= 0, iat= 590, 595, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 39 CYX HN 40 LYS HN 4.92 &rst ixpk= 0, nxpk= 0, iat= 580, 590, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 34 CYX HA 40 LYS HN 3.75 &rst ixpk= 0, nxpk= 0, iat= 512, 590, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 34 CYX HN 40 LYS HN 5.08 &rst ixpk= 0, nxpk= 0, iat= 510, 590, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 40 LYS HN 40 LYS HB2 3.89 &rst ixpk= 0, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 39 CYX HA 40 LYS HN 2.67 &rst ixpk= 0, nxpk= 0, iat= 582, 590, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end # # 39 CYX HB3 40 LYS HN 4.62 &rst ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 35 HIS HN 40 LYS HN 5.17 &rst ixpk= 0, nxpk= 0, iat= 520, 590, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 21 CYX HA 23 ARG HB2 5.24 &rst ixpk= 0, nxpk= 0, iat= 307, 341, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 31 GLU HA 42 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= 471, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 ALA HN 37 THR QG2 3.19 &rst ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 550, 551, 552, &end # # 37 THR HN 37 THR QG2 3.16 &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2= 550, 551, 552, &end # # 37 THR HA 37 THR QG2 2.74 &rst ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 550, 551, 552, &end # # 37 THR QG2 38 LYS HN 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 550, 551, 552, &end # # 30 LYS HA 30 LYS HNZ 3.63 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 463, 464, 465, &end # # 17 VAL HA 17 VAL QG1 2.88 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2= 254, 255, 256, &end # # 17 VAL HN 17 VAL QG1 4.13 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 254, 255, 256, &end # # 26 LYS HA 29 ASP HA 3.72 &rst ixpk= 0, nxpk= 0, iat= 390, 437, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 29 ASP HA 45 ILE QG2 3.68 &rst ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 665, 666, 667, &end # # 28 GLU HN 29 ASP HA 4.89 &rst ixpk= 0, nxpk= 0, iat= 420, 437, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 21 CYX HB3 23 ARG HN 5.47 &rst ixpk= 0, nxpk= 0, iat= 310, 337, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 22 LYS HB2 22 LYS QD 3.97 &rst ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 325, 326, &end # # 6 LYS HG3 6 LYS HNZ 4.85 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2= 102, 103, 104, &end # # 6 LYS HG3 6 LYS QD 2.86 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, igr2= 96, 97, &end # # 18 LYS HN 20 ASP HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 264, 293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ILE QG2 33 ILE HG12 2.81 &rst ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1= 497, 498, 499, &end # # 33 ILE HN 33 ILE QG2 4.45 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 497, 498, 499, &end # # 33 ILE QG2 33 ILE HG13 2.75 &rst ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr1= 497, 498, 499, &end # # 43 VAL HA 44 PRO HD2 2.75 &rst ixpk= 0, nxpk= 0, iat= 631, 646, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end # # 43 VAL HA 43 VAL HB 2.91 &rst ixpk= 0, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 31 GLU HN 43 VAL HA 4.51 &rst ixpk= 0, nxpk= 0, iat= 469, 631, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 43 VAL HA 43 VAL QG2 3.26 &rst ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 639, 640, 641, &end # # 43 VAL HA 44 PRO HD3 2.50 &rst ixpk= 0, nxpk= 0, iat= 631, 647, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end # # 43 VAL HA 43 VAL QG1 2.76 &rst ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2= 635, 636, 637, &end # # 22 LYS HB2 22 LYS HNZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 331, 332, 333, &end # # 22 LYS HA 22 LYS HNZ 5.25 &rst ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 331, 332, 333, &end # # 12 PHE HD 15 VAL HB 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 184, 192, &end # # 27 ALA HN 28 GLU HG3 5.48 &rst ixpk= 0, nxpk= 0, iat= 410, 428, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 23 ARG HA 23 ARG HD2 4.84 &rst ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 23 ARG HN 23 ARG HD2 4.78 &rst ixpk= 0, nxpk= 0, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 23 ARG HN 23 ARG HB2 3.38 &rst ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 23 ARG HB2 23 ARG HD2 3.73 &rst ixpk= 0, nxpk= 0, iat= 341, 347, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 23 ARG HB2 23 ARG HD3 3.73 &rst ixpk= 0, nxpk= 0, iat= 341, 348, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 32 GLY HA3 41 CYX HA 4.79 &rst ixpk= 0, nxpk= 0, iat= 487, 614, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 30 LYS QB 41 CYX HA 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 451, 452, &end # # 33 ILE HN 41 CYX HA 4.16 &rst ixpk= 0, nxpk= 0, iat= 491, 614, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 33 ILE HG13 41 CYX HA 4.60 &rst ixpk= 0, nxpk= 0, iat= 502, 614, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 25 CYX HB3 41 CYX HA 4.29 &rst ixpk= 0, nxpk= 0, iat= 383, 614, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 32 GLY HA2 41 CYX HA 3.56 &rst ixpk= 0, nxpk= 0, iat= 486, 614, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 30 LYS QB 30 LYS QE 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 451, 452, igr2= 460, 461, &end # # 45 ILE QD1 46 SER HN 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 672, 673, 674, &end # # 45 ILE QD1 47 TYR HN 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 672, 673, 674, &end # # 45 ILE HA 45 ILE QD1 3.78 &rst ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 672, 673, 674, &end # # 45 ILE HB 45 ILE QD1 2.74 &rst ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 672, 673, 674, &end # # 33 ILE HN 40 LYS HN 3.99 &rst ixpk= 0, nxpk= 0, iat= 491, 590, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 33 ILE HN 33 ILE HG13 4.09 &rst ixpk= 0, nxpk= 0, iat= 491, 502, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 33 ILE HN 35 HIS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 491, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 GLY HA2 33 ILE HN 3.04 &rst ixpk= 0, nxpk= 0, iat= 486, 491, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 33 ILE HN 33 ILE HB 3.82 &rst ixpk= 0, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 45 ILE QD1 46 SER HA 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 672, 673, 674, &end # # 22 LYS HA 22 LYS QE 4.46 &rst ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 328, 329, &end # # 22 LYS HA 32 GLY HN 3.39 &rst ixpk= 0, nxpk= 0, iat= 317, 484, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 22 LYS HA 32 GLY HA3 3.26 &rst ixpk= 0, nxpk= 0, iat= 317, 487, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 22 LYS HA 22 LYS QD 3.51 &rst ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 325, 326, &end # # 22 LYS HA 22 LYS QG 3.87 &rst ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 322, 323, &end # # 22 LYS HA 31 GLU HA 4.11 &rst ixpk= 0, nxpk= 0, iat= 317, 471, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 22 LYS HA 25 CYX HB2 4.08 &rst ixpk= 0, nxpk= 0, iat= 317, 382, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 22 LYS HA 25 CYX HN 4.32 &rst ixpk= 0, nxpk= 0, iat= 317, 378, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 8 GLN HN 8 GLN HE21 4.96 &rst ixpk= 0, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 20 ASP QB 22 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 297, 298, igr2= 325, 326, &end # # 33 ILE QD1 34 CYX HA 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 504, 505, 506, &end # # 33 ILE HA 34 CYX HA 4.54 &rst ixpk= 0, nxpk= 0, iat= 493, 512, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 34 CYX HA 39 CYX HA 3.28 &rst ixpk= 0, nxpk= 0, iat= 512, 582, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 33 ILE QD1 34 CYX HN 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 504, 505, 506, &end # # 33 ILE QD1 41 CYX HN 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 504, 505, 506, &end # # 33 ILE HN 34 CYX HN 4.59 &rst ixpk= 0, nxpk= 0, iat= 491, 510, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 33 ILE HB 34 CYX HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 495, 510, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 43 VAL QG2 44 PRO HD2 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 639, 640, 641, &end # # 31 GLU HN 43 VAL QG2 4.31 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2= 639, 640, 641, &end # # 43 VAL QG2 46 SER HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 639, 640, 641, &end # # 43 VAL QG2 44 PRO HD3 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 639, 640, 641, &end # # 18 LYS HG3 18 LYS HNZ 4.82 &rst ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 280, 281, 282, &end # # 15 VAL QG1 16 ASP HN 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 226, 227, 228, &end # # 15 VAL HN 15 VAL QG1 3.94 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 226, 227, 228, &end # # 15 VAL HA 16 ASP HN 2.78 &rst ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end # # 15 VAL HA 15 VAL QG1 2.88 &rst ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2= 226, 227, 228, &end # # 6 LYS HA 6 LYS HNZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 102, 103, 104, &end # # 5 ALA HN 8 GLN HE21 5.50 &rst ixpk= 0, nxpk= 0, iat= 76, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 GLN HB2 9 PHE HD 4.37 &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 147, 155, &end # # 8 GLN HB2 8 GLN HE21 4.39 &rst ixpk= 0, nxpk= 0, iat= 126, 134, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 8 GLN HB2 8 GLN HE22 4.70 &rst ixpk= 0, nxpk= 0, iat= 126, 135, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 8 GLN HB2 9 PHE HN 4.57 &rst ixpk= 0, nxpk= 0, iat= 126, 139, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 8 GLN HN 8 GLN HB2 3.73 &rst ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 38 LYS HN 38 LYS HB3 3.95 &rst ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 16 ASP HN 17 VAL HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 236, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 VAL HN 18 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 248, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 PRO HA 45 ILE HN 2.59 &rst ixpk= 0, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end # # 45 ILE HN 45 ILE HG12 3.63 &rst ixpk= 0, nxpk= 0, iat= 659, 669, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 44 PRO HB2 45 ILE HN 4.18 &rst ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 44 PRO HB3 45 ILE HN 4.18 &rst ixpk= 0, nxpk= 0, iat= 653, 659, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 45 ILE HN 45 ILE QG2 4.09 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 665, 666, 667, &end # # 45 ILE HN 45 ILE HB 3.64 &rst ixpk= 0, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 47 TYR HA 47 TYR HB3 3.00 &rst ixpk= 0, nxpk= 0, iat= 691, 694, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 47 TYR HN 47 TYR HB3 3.72 &rst ixpk= 0, nxpk= 0, iat= 689, 694, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 48 LEU HA 48 LEU QQD 3.60 &rst ixpk= 0, nxpk= 0, iat= 712, 716, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 48 LEU HA 48 LEU QB 3.00 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 714, 715, &end # # 6 LYS HA 6 LYS QE 4.91 &rst ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 99, 100, &end # # 6 LYS HN 6 LYS QE 5.32 &rst ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2= 99, 100, &end # # 3 LYS QB 3 LYS QE 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 41, 42, igr2= 50, 51, &end # # 9 PHE HD 39 CYX HB2 3.63 &rst ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1= 147, 155, &end # # 9 PHE HB3 9 PHE HD 3.13 &rst ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 147, 155, &end # # 9 PHE HD 24 HIS QB 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 147, 155, igr2= 365, 366, &end # # 7 ASN HA 7 ASN HD22 4.19 &rst ixpk= 0, nxpk= 0, iat= 110, 118, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 9 PHE HA 9 PHE HD 3.51 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 147, 155, &end # # 9 PHE HD 39 CYX HB3 3.63 &rst ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1= 147, 155, &end # # 9 PHE HB2 9 PHE HD 3.71 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 147, 155, &end # # 9 PHE HD 21 CYX HA 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 147, 155, &end # # 9 PHE HD 24 HIS HD2 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 147, 155, &end # # 7 ASN HN 8 GLN HE21 5.50 &rst ixpk= 0, nxpk= 0, iat= 108, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 ASN HN 7 ASN QB 3.04 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2= 112, 113, &end # # 3 LYS QB 7 ASN HN 4.93 &rst ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 41, 42, &end # # 7 ASN HN 9 PHE HN 3.74 &rst ixpk= 0, nxpk= 0, iat= 108, 139, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 7 ASN HN 8 GLN HN 3.41 &rst ixpk= 0, nxpk= 0, iat= 108, 122, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 5 ALA QB 7 ASN HN 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 80, 81, 82, &end # # 18 LYS QB 18 LYS QD 2.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, igr1= 268, 269, igr2= 274, 275, &end # # 18 LYS QB 18 LYS HNZ 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 268, 269, igr2= 280, 281, 282, &end # # 15 VAL HN 34 CYX QB 4.56 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 514, 515, &end # # 11 CYX HB3 34 CYX QB 3.84 &rst ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 514, 515, &end # # 34 CYX HN 34 CYX QB 3.10 &rst ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 514, 515, &end # # 34 CYX QB 35 HIS HN 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 514, 515, &end # # 11 CYX HB2 34 CYX QB 3.84 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 514, 515, &end # # 11 CYX HA 34 CYX QB 4.41 &rst ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 514, 515, &end # # 28 GLU HA 28 GLU HG3 3.87 &rst ixpk= 0, nxpk= 0, iat= 422, 428, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 28 GLU HN 28 GLU HG3 3.59 &rst ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 23 ARG HN 23 ARG HD3 4.78 &rst ixpk= 0, nxpk= 0, iat= 337, 348, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 26 LYS HA 27 ALA QB 5.10 &rst ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2= 414, 415, 416, &end # # 47 TYR HA 47 TYR HD 3.82 &rst ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 697, 706, &end # # 47 TYR HN 47 TYR HD 4.26 &rst ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 697, 706, &end # # 47 TYR HB3 47 TYR HD 3.65 &rst ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 697, 706, &end # # 14 ASN HN 37 THR HN 5.13 &rst ixpk= 0, nxpk= 0, iat= 206, 544, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 31 GLU HA 31 GLU HG2 3.92 &rst ixpk= 0, nxpk= 0, iat= 471, 476, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 45 ILE HA 45 ILE HG13 3.86 &rst ixpk= 0, nxpk= 0, iat= 661, 670, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 7 ASN QB 7 ASN HD22 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 112, 113, &end # # 7 ASN HN 7 ASN HD22 5.06 &rst ixpk= 0, nxpk= 0, iat= 108, 118, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 26 LYS HA 29 ASP HN 3.54 &rst ixpk= 0, nxpk= 0, iat= 390, 435, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 22 LYS QD 26 LYS HA 5.38 &rst ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 325, 326, &end # # 26 LYS HA 45 ILE QG2 3.62 &rst ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2= 665, 666, 667, &end # # 25 CYX HB3 32 GLY HA2 4.54 &rst ixpk= 0, nxpk= 0, iat= 383, 486, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 31 GLU HN 41 CYX HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 469, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 ALA HA 11 CYX HN 4.41 &rst ixpk= 0, nxpk= 0, iat= 78, 166, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 8 GLN HA 8 GLN HE21 4.90 &rst ixpk= 0, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 41 CYX HB3 43 VAL HA 5.45 &rst ixpk= 0, nxpk= 0, iat= 617, 631, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 5 ALA HA 8 GLN HN 3.93 &rst ixpk= 0, nxpk= 0, iat= 78, 122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 5 ALA HA 10 GLY HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 78, 159, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 37 THR HA 37 THR HB 2.74 &rst ixpk= 0, nxpk= 0, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 12 PHE HB3 37 THR HA 3.32 &rst ixpk= 0, nxpk= 0, iat= 181, 546, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 43 VAL HB 44 PRO HD3 3.63 &rst ixpk= 0, nxpk= 0, iat= 633, 647, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 43 VAL QG1 44 PRO HD3 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 635, 636, 637, &end # # 43 VAL QG1 44 PRO HD2 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 635, 636, 637, &end # # 33 ILE QD1 35 HIS HN 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 504, 505, 506, &end # # 35 HIS HN 36 GLY HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 520, 537, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 35 HIS HN 35 HIS HB2 3.87 &rst ixpk= 0, nxpk= 0, iat= 520, 524, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 35 HIS HN 35 HIS HB3 3.87 &rst ixpk= 0, nxpk= 0, iat= 520, 525, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 34 CYX HA 35 HIS HN 2.80 &rst ixpk= 0, nxpk= 0, iat= 512, 520, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 34 CYX HN 35 HIS HN 4.83 &rst ixpk= 0, nxpk= 0, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 35 HIS HN 39 CYX HA 4.19 &rst ixpk= 0, nxpk= 0, iat= 520, 582, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 22 LYS HA 32 GLY HA2 4.19 &rst ixpk= 0, nxpk= 0, iat= 317, 486, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 18 LYS QB 18 LYS QE 5.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 268, 269, igr2= 277, 278, &end # # 18 LYS HA 18 LYS QE 4.14 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 277, 278, &end # # 23 ARG HN 23 ARG QG 4.36 &rst ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 344, 345, &end # # 40 LYS HA 40 LYS QE 4.79 &rst ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 603, 604, &end # # 40 LYS QG 40 LYS QE 3.61 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 597, 598, igr2= 603, 604, &end # # 30 LYS QD 43 VAL HB 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 457, 458, &end # # 30 LYS QG 30 LYS QD 2.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr1= 454, 455, igr2= 457, 458, &end # # 30 LYS QD 31 GLU HN 3.76 &rst ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 457, 458, &end # # 30 LYS QB 30 LYS QD 2.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 451, 452, igr2= 457, 458, &end # # 30 LYS QD 44 PRO HA 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 457, 458, &end # # 25 CYX HB3 30 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 457, 458, &end # # 30 LYS HA 30 LYS QD 3.51 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 457, 458, &end # # 12 PHE HB3 13 ALA HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 181, 196, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 47 TYR HB2 48 LEU HN 4.64 &rst ixpk= 0, nxpk= 0, iat= 693, 710, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 48 LEU HN 48 LEU HG 4.11 &rst ixpk= 0, nxpk= 0, iat= 710, 717, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 48 LEU HN 48 LEU QB 3.24 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 714, 715, &end # # 41 CYX HN 41 CYX HB2 3.19 &rst ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 30 LYS QB 41 CYX HB2 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 451, 452, &end # # 25 CYX HB3 41 CYX HB2 5.02 &rst ixpk= 0, nxpk= 0, iat= 383, 616, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 30 LYS QD 41 CYX HB2 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 457, 458, &end # # 24 HIS HA 24 HIS HD2 5.02 &rst ixpk= 0, nxpk= 0, iat= 363, 374, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 9 PHE HN 9 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 ASN HA 9 PHE HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 110, 139, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 8 GLN HN 9 PHE HN 3.47 &rst ixpk= 0, nxpk= 0, iat= 122, 139, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 33 ILE HB 35 HIS HD2 4.44 &rst ixpk= 0, nxpk= 0, iat= 495, 533, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 33 ILE HB 40 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 495, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 LYS HG2 3 LYS QE 4.22 &rst ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 50, 51, &end # # 31 GLU HA 31 GLU HG3 3.92 &rst ixpk= 0, nxpk= 0, iat= 471, 477, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 22 LYS QG 23 ARG HN 4.62 &rst ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 322, 323, &end # # 22 LYS QG 22 LYS HNZ 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 322, 323, igr2= 331, 332, 333, &end # # 30 LYS HA 42 GLY HN 5.13 &rst ixpk= 0, nxpk= 0, iat= 449, 622, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 30 LYS HA 30 LYS QE 5.12 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 460, 461, &end # # 18 LYS HG2 18 LYS HNZ 4.82 &rst ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 280, 281, 282, &end # # 45 ILE QD1 47 TYR HE 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 672, 673, 674, igr2= 699, 704, &end # # 47 TYR HB2 47 TYR HE 4.91 &rst ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 699, 704, &end # # 17 VAL HA 17 VAL QG2 2.88 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2= 258, 259, 260, &end # # 17 VAL HN 17 VAL QG2 4.13 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 258, 259, 260, &end # # 6 LYS HA 8 GLN HN 4.82 &rst ixpk= 0, nxpk= 0, iat= 88, 122, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 5 ALA HN 8 GLN HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 76, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 GLN HN 8 GLN HE22 5.15 &rst ixpk= 0, nxpk= 0, iat= 122, 135, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 11 CYX HA 15 VAL HN 4.92 &rst ixpk= 0, nxpk= 0, iat= 168, 220, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 11 CYX HA 12 PHE HA 4.51 &rst ixpk= 0, nxpk= 0, iat= 168, 178, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 4 MET HA 4 MET HG3 4.00 &rst ixpk= 0, nxpk= 0, iat= 61, 67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 26 LYS HB3 26 LYS QE 4.71 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2= 401, 402, &end # # 26 LYS HA 26 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 401, 402, &end # # 4 MET HN 7 ASN HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 59, 108, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 3 LYS HA 4 MET HN 2.59 &rst ixpk= 0, nxpk= 0, iat= 39, 59, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end # # 4 MET HN 4 MET HG3 3.71 &rst ixpk= 0, nxpk= 0, iat= 59, 67, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 3 LYS QB 4 MET HN 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 41, 42, &end # # 3 LYS HG3 3 LYS QE 4.22 &rst ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 50, 51, &end # # 3 LYS HA 3 LYS QE 4.89 &rst ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 50, 51, &end # # 48 LEU QB 48 LEU QQD 3.39 &rst ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr1= 714, 715, &end # # 48 LEU QB 48 LEU HG 2.40 &rst ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, igr1= 714, 715, &end # # 23 ARG HB3 24 HIS HN 3.75 &rst ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 23 ARG HN 24 HIS HN 3.50 &rst ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 23 ARG HB2 24 HIS HN 3.52 &rst ixpk= 0, nxpk= 0, iat= 341, 361, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 21 CYX HA 24 HIS HN 3.63 &rst ixpk= 0, nxpk= 0, iat= 307, 361, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 33 ILE HN 33 ILE QD1 3.07 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 504, 505, 506, &end # # 45 ILE QG2 45 ILE HG13 3.12 &rst ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1= 665, 666, 667, &end # # 45 ILE QG2 45 ILE HG12 2.77 &rst ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, igr1= 665, 666, 667, &end # # 45 ILE HA 45 ILE QG2 3.72 &rst ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 665, 666, 667, &end # # 27 ALA QB 28 GLU HN 3.32 &rst ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1= 414, 415, 416, &end # # 26 LYS HA 28 GLU HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 390, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 25 CYX HA 28 GLU HN 4.15 &rst ixpk= 0, nxpk= 0, iat= 380, 420, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 26 LYS HN 28 GLU HN 4.47 &rst ixpk= 0, nxpk= 0, iat= 388, 420, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 28 GLU HN 28 GLU HB2 3.51 &rst ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 12 PHE HB2 13 ALA HN 4.43 &rst ixpk= 0, nxpk= 0, iat= 180, 196, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 13 ALA HN 14 ASN HN 3.06 &rst ixpk= 0, nxpk= 0, iat= 196, 206, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 13 ALA QB 14 ASN HN 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 200, 201, 202, &end # # 14 ASN HN 36 GLY HN 3.79 &rst ixpk= 0, nxpk= 0, iat= 206, 537, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 14 ASN HN 15 VAL HN 3.25 &rst ixpk= 0, nxpk= 0, iat= 206, 220, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 14 ASN HN 34 CYX QB 4.37 &rst ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 514, 515, &end # # 13 ALA HA 14 ASN HN 3.12 &rst ixpk= 0, nxpk= 0, iat= 198, 206, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 14 ASN HN 14 ASN HB2 4.04 &rst ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 14 ASN HN 14 ASN HA 2.72 &rst ixpk= 0, nxpk= 0, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 25 CYX HA 29 ASP HN 5.43 &rst ixpk= 0, nxpk= 0, iat= 380, 435, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 25 CYX HA 28 GLU HG3 4.06 &rst ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 38 LYS HA 38 LYS HD3 4.28 &rst ixpk= 0, nxpk= 0, iat= 560, 569, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 38 LYS HA 38 LYS HD2 4.28 &rst ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 8 GLN HB3 8 GLN HE21 4.45 &rst ixpk= 0, nxpk= 0, iat= 127, 134, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 8 GLN HB3 8 GLN HE22 4.70 &rst ixpk= 0, nxpk= 0, iat= 127, 135, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 8 GLN HB3 9 PHE HN 4.64 &rst ixpk= 0, nxpk= 0, iat= 127, 139, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 22 LYS QD 26 LYS HB2 4.26 &rst ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 325, 326, &end # # 23 ARG HA 26 LYS HB2 3.38 &rst ixpk= 0, nxpk= 0, iat= 339, 392, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 40 LYS HA 40 LYS QG 3.80 &rst ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2= 597, 598, &end # # 35 HIS HN 40 LYS QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 597, 598, &end # # 6 LYS HB3 6 LYS QD 3.06 &rst ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 96, 97, &end # # 6 LYS HG2 6 LYS QD 2.86 &rst ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, igr2= 96, 97, &end # # 6 LYS HB2 6 LYS QD 3.06 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 96, 97, &end # # 6 LYS QD 6 LYS QE 3.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr1= 96, 97, igr2= 99, 100, &end # # 23 ARG HA 26 LYS HN 3.40 &rst ixpk= 0, nxpk= 0, iat= 339, 388, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 26 LYS HN 32 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= 388, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 LYS HN 27 ALA HN 2.98 &rst ixpk= 0, nxpk= 0, iat= 388, 410, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 26 LYS HN 26 LYS HB3 2.88 &rst ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end # # 22 LYS HA 26 LYS HN 4.49 &rst ixpk= 0, nxpk= 0, iat= 317, 388, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 26 LYS HN 27 ALA QB 4.47 &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 414, 415, 416, &end # # 26 LYS HN 26 LYS HA 2.93 &rst ixpk= 0, nxpk= 0, iat= 388, 390, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end # # 25 CYX HB3 26 LYS HN 3.99 &rst ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 24 HIS HA 26 LYS HN 4.49 &rst ixpk= 0, nxpk= 0, iat= 363, 388, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 24 HIS HN 26 LYS HN 4.16 &rst ixpk= 0, nxpk= 0, iat= 361, 388, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 26 LYS HN 26 LYS HB2 2.83 &rst ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 25 CYX HB2 26 LYS HN 3.65 &rst ixpk= 0, nxpk= 0, iat= 382, 388, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 22 LYS QG 26 LYS HN 5.29 &rst ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 322, 323, &end # # 25 CYX HN 26 LYS HN 3.00 &rst ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 2 HIS HA 2 HIS HD2 5.13 &rst ixpk= 0, nxpk= 0, iat= 22, 33, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 18 LYS HA 18 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 274, 275, &end # # 18 LYS HA 20 ASP QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 297, 298, &end # # 18 LYS HA 18 LYS HNZ 4.59 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 280, 281, 282, &end # # 21 CYX HA 24 HIS QB 4.80 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 365, 366, &end # # 31 GLU HA 32 GLY HA3 4.68 &rst ixpk= 0, nxpk= 0, iat= 471, 487, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 32 GLY HA3 33 ILE HA 5.06 &rst ixpk= 0, nxpk= 0, iat= 487, 493, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 12 PHE HA 34 CYX QB 4.56 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 514, 515, &end # # 31 GLU HA 45 ILE QG2 4.24 &rst ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2= 665, 666, 667, &end # # 12 PHE HN 12 PHE HE 5.13 &rst ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2= 186, 190, &end # # 38 LYS HN 38 LYS HG2 4.15 &rst ixpk= 0, nxpk= 0, iat= 558, 565, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 37 THR HN 38 LYS HN 3.02 &rst ixpk= 0, nxpk= 0, iat= 544, 558, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 25 CYX HB2 32 GLY HA3 3.94 &rst ixpk= 0, nxpk= 0, iat= 382, 487, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 25 CYX HB2 32 GLY HA2 4.22 &rst ixpk= 0, nxpk= 0, iat= 382, 486, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 12 PHE HE 13 ALA QB 3.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 186, 190, igr2= 200, 201, 202, &end # # 12 PHE HE 37 THR QG2 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 186, 190, igr2= 550, 551, 552, &end # # 12 PHE HB3 12 PHE HE 4.89 &rst ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 186, 190, &end # # 12 PHE HB2 12 PHE HE 4.69 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 186, 190, &end # # 9 PHE HB3 10 GLY HN 4.64 &rst ixpk= 0, nxpk= 0, iat= 144, 159, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 9 PHE HA 10 GLY HN 3.31 &rst ixpk= 0, nxpk= 0, iat= 141, 159, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 10 GLY HN 19 GLY HA3 5.18 &rst ixpk= 0, nxpk= 0, iat= 159, 289, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 9 PHE HB2 10 GLY HN 4.26 &rst ixpk= 0, nxpk= 0, iat= 143, 159, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 28 GLU HB2 29 ASP HN 4.28 &rst ixpk= 0, nxpk= 0, iat= 424, 435, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 25 CYX HA 28 GLU HB2 4.57 &rst ixpk= 0, nxpk= 0, iat= 380, 424, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 27 ALA HA 29 ASP HN 3.85 &rst ixpk= 0, nxpk= 0, iat= 412, 435, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 12 PHE HD 13 ALA QB 3.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1= 184, 192, igr2= 200, 201, 202, &end # # 12 PHE HD 37 THR QG2 3.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1= 184, 192, igr2= 550, 551, 552, &end # # 12 PHE HB3 12 PHE HD 3.28 &rst ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 184, 192, &end # # 12 PHE HB2 12 PHE HD 3.31 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 184, 192, &end # # 47 TYR HA 47 TYR HE 5.14 &rst ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2= 699, 704, &end # # 47 TYR HN 47 TYR HE 5.04 &rst ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 699, 704, &end # # 47 TYR HB3 47 TYR HE 4.85 &rst ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 699, 704, &end # # 45 ILE HB 46 SER HN 4.27 &rst ixpk= 0, nxpk= 0, iat= 663, 678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 21 CYX HA 23 ARG HN 4.68 &rst ixpk= 0, nxpk= 0, iat= 307, 337, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 25 CYX HN 32 GLY HA3 3.96 &rst ixpk= 0, nxpk= 0, iat= 378, 487, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 24 HIS QB 25 CYX HN 3.52 &rst ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr1= 365, 366, &end # # 25 CYX HN 25 CYX HB3 3.72 &rst ixpk= 0, nxpk= 0, iat= 378, 383, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 24 HIS HN 25 CYX HN 3.10 &rst ixpk= 0, nxpk= 0, iat= 361, 378, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 25 CYX HN 25 CYX HB2 3.26 &rst ixpk= 0, nxpk= 0, iat= 378, 382, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 9 PHE HE 24 HIS HD2 4.45 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1= 149, 153, &end # # 24 HIS QB 24 HIS HD2 3.59 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 365, 366, &end # # 24 HIS HN 24 HIS HD2 5.09 &rst ixpk= 0, nxpk= 0, iat= 361, 374, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 24 HIS HD2 25 CYX HA 4.76 &rst ixpk= 0, nxpk= 0, iat= 374, 380, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 24 HIS HD2 25 CYX HN 3.89 &rst ixpk= 0, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 38 LYS HB3 38 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 571, 572, &end # # 38 LYS HA 38 LYS QE 4.50 &rst ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 571, 572, &end # # 26 LYS HB2 26 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 401, 402, &end # # 14 ASN HA 35 HIS HA 4.21 &rst ixpk= 0, nxpk= 0, iat= 208, 522, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 13 ALA HN 14 ASN HA 5.10 &rst ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 14 ASN HA 34 CYX QB 3.82 &rst ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 514, 515, &end # # 14 ASN HA 14 ASN HD21 4.55 &rst ixpk= 0, nxpk= 0, iat= 208, 215, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 46 SER HN 46 SER HB2 3.43 &rst ixpk= 0, nxpk= 0, iat= 678, 682, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 46 SER HB2 47 TYR HN 4.48 &rst ixpk= 0, nxpk= 0, iat= 682, 689, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 2 HIS HA 3 LYS QB 5.02 &rst ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 41, 42, &end # # 3 LYS QB 3 LYS HG3 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1= 41, 42, &end # # 12 PHE HN 15 VAL HN 3.56 &rst ixpk= 0, nxpk= 0, iat= 176, 220, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 12 PHE HN 15 VAL HB 4.26 &rst ixpk= 0, nxpk= 0, iat= 176, 224, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 40 LYS QG 41 CYX HN 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 597, 598, &end # # 11 CYX HA 12 PHE HN 2.83 &rst ixpk= 0, nxpk= 0, iat= 168, 176, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 31 GLU HN 42 GLY HN 3.71 &rst ixpk= 0, nxpk= 0, iat= 469, 622, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 32 GLY HA3 42 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 487, 622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 LYS QB 42 GLY HN 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 451, 452, &end # # 41 CYX HA 42 GLY HN 2.72 &rst ixpk= 0, nxpk= 0, iat= 614, 622, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 32 GLY HA2 42 GLY HN 4.29 &rst ixpk= 0, nxpk= 0, iat= 486, 622, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 30 LYS QD 42 GLY HN 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 457, 458, &end # # 41 CYX HB2 42 GLY HN 3.93 &rst ixpk= 0, nxpk= 0, iat= 616, 622, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 31 GLU HB3 42 GLY HN 4.47 &rst ixpk= 0, nxpk= 0, iat= 474, 622, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 11 CYX HA 16 ASP HA 5.43 &rst ixpk= 0, nxpk= 0, iat= 168, 238, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 1 VAL HB 2 HIS HN 4.46 &rst ixpk= 0, nxpk= 0, iat= 8, 20, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 17 VAL QG1 18 LYS HN 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 254, 255, 256, &end # # 1 VAL HA 2 HIS HN 3.22 &rst ixpk= 0, nxpk= 0, iat= 6, 20, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 4 MET HA 6 LYS HN 4.23 &rst ixpk= 0, nxpk= 0, iat= 61, 86, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 6 LYS HN 6 LYS HG2 4.62 &rst ixpk= 0, nxpk= 0, iat= 86, 93, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 6 LYS HN 6 LYS HB2 3.78 &rst ixpk= 0, nxpk= 0, iat= 86, 90, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 5 ALA QB 6 LYS HN 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 80, 81, 82, &end # # 6 LYS HN 6 LYS HG3 4.62 &rst ixpk= 0, nxpk= 0, iat= 86, 94, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 4 MET HN 6 LYS HN 2.49 &rst ixpk= 0, nxpk= 0, iat= 59, 86, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, &end # # 6 LYS HN 6 LYS QD 4.79 &rst ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 96, 97, &end # # 31 GLU HB2 43 VAL HN 4.22 &rst ixpk= 0, nxpk= 0, iat= 473, 629, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 5 ALA HN 5 ALA HA 2.40 &rst ixpk= 0, nxpk= 0, iat= 76, 78, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 30 LYS HN 31 GLU HN 4.63 &rst ixpk= 0, nxpk= 0, iat= 447, 469, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 31 GLU HN 44 PRO HA 4.13 &rst ixpk= 0, nxpk= 0, iat= 469, 655, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 31 GLU HN 31 GLU HG2 3.72 &rst ixpk= 0, nxpk= 0, iat= 469, 476, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 31 GLU HN 44 PRO HD3 5.50 &rst ixpk= 0, nxpk= 0, iat= 469, 647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 GLU HN 45 ILE QG2 4.29 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 665, 666, 667, &end # # 18 LYS HN 18 LYS QD 4.00 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 274, 275, &end # # 45 ILE HG12 46 SER HN 4.08 &rst ixpk= 0, nxpk= 0, iat= 669, 678, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 45 ILE HA 46 SER HN 3.57 &rst ixpk= 0, nxpk= 0, iat= 661, 678, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 45 ILE QG2 46 SER HN 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 665, 666, 667, &end # # 16 ASP HN 16 ASP HB2 3.62 &rst ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 16 ASP HN 16 ASP HB3 3.62 &rst ixpk= 0, nxpk= 0, iat= 236, 241, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 31 GLU HB2 32 GLY HN 3.86 &rst ixpk= 0, nxpk= 0, iat= 473, 484, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 30 LYS HN 30 LYS QG 3.73 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2= 454, 455, &end # # 30 LYS HN 30 LYS HNZ 4.23 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 463, 464, 465, &end # # 30 LYS HN 30 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 460, 461, &end # # 27 ALA QB 30 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 414, 415, 416, &end # # 11 CYX HN 12 PHE HB3 4.80 &rst ixpk= 0, nxpk= 0, iat= 166, 181, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 8 GLN HA 11 CYX HN 5.39 &rst ixpk= 0, nxpk= 0, iat= 124, 166, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 8 GLN HG3 11 CYX HN 3.88 &rst ixpk= 0, nxpk= 0, iat= 130, 166, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 28 GLU HB3 29 ASP HN 4.49 &rst ixpk= 0, nxpk= 0, iat= 425, 435, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 29 ASP HN 29 ASP HB2 4.08 &rst ixpk= 0, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 15 VAL HN 15 VAL HB 3.11 &rst ixpk= 0, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 45 ILE HA 47 TYR HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 661, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 LYS HN 22 LYS QE 4.73 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 328, 329, &end # # 22 LYS HN 22 LYS HNZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 331, 332, 333, &end # # 8 GLN HB2 39 CYX HN 4.46 &rst ixpk= 0, nxpk= 0, iat= 126, 580, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 38 LYS HB2 39 CYX HN 4.46 &rst ixpk= 0, nxpk= 0, iat= 562, 580, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 40 LYS HN 40 LYS QE 5.42 &rst ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2= 603, 604, &end # # 40 LYS HN 40 LYS QG 4.20 &rst ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 597, 598, &end # # 33 ILE HN 33 ILE HG12 4.26 &rst ixpk= 0, nxpk= 0, iat= 491, 501, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 31 GLU HB2 33 ILE HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 473, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 GLU HB3 33 ILE HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 CYX HB2 34 CYX HN 4.73 &rst ixpk= 0, nxpk= 0, iat= 309, 510, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 45 ILE HN 45 ILE HG13 3.49 &rst ixpk= 0, nxpk= 0, iat= 659, 670, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 45 ILE HN 45 ILE QD1 4.04 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 672, 673, 674, &end # # 7 ASN HN 7 ASN HD21 5.06 &rst ixpk= 0, nxpk= 0, iat= 108, 117, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 5 ALA HA 7 ASN HN 3.62 &rst ixpk= 0, nxpk= 0, iat= 78, 108, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 37 THR HN 37 THR HB 3.66 &rst ixpk= 0, nxpk= 0, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 5 ALA HA 8 GLN HE22 5.50 &rst ixpk= 0, nxpk= 0, iat= 78, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 GLN HA 8 GLN HE22 5.50 &rst ixpk= 0, nxpk= 0, iat= 124, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 GLN HA 9 PHE HN 3.02 &rst ixpk= 0, nxpk= 0, iat= 124, 139, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 9 PHE HN 9 PHE HB3 3.98 &rst ixpk= 0, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 6 LYS HN 8 GLN HN 3.86 &rst ixpk= 0, nxpk= 0, iat= 86, 122, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 8 GLN HN 8 GLN HG3 4.06 &rst ixpk= 0, nxpk= 0, iat= 122, 130, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 8 GLN HN 8 GLN HB3 3.32 &rst ixpk= 0, nxpk= 0, iat= 122, 127, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 24 HIS HN 24 HIS QB 3.06 &rst ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 365, 366, &end # # 28 GLU HN 28 GLU HG2 3.27 &rst ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 14 ASN HN 14 ASN HB3 4.04 &rst ixpk= 0, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 14 ASN HN 14 ASN HD22 5.50 &rst ixpk= 0, nxpk= 0, iat= 206, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 LYS HN 26 LYS QE 4.95 &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 401, 402, &end # # 26 LYS HN 45 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 665, 666, 667, &end # # 38 LYS HN 38 LYS HG3 4.15 &rst ixpk= 0, nxpk= 0, iat= 558, 566, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 38 LYS HN 38 LYS HB2 3.20 &rst ixpk= 0, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 38 LYS HN 38 LYS QE 5.09 &rst ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2= 571, 572, &end # # 7 ASN HA 10 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 110, 159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 ASN HN 10 GLY HN 4.03 &rst ixpk= 0, nxpk= 0, iat= 108, 159, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 9 PHE HN 10 GLY HN 2.85 &rst ixpk= 0, nxpk= 0, iat= 139, 159, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 8 GLN HN 10 GLY HN 3.27 &rst ixpk= 0, nxpk= 0, iat= 122, 159, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 21 CYX HA 25 CYX HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 307, 378, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 14 ASN HN 14 ASN HD21 5.50 &rst ixpk= 0, nxpk= 0, iat= 206, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 PHE HN 12 PHE HB3 3.97 &rst ixpk= 0, nxpk= 0, iat= 176, 181, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 12 PHE HN 12 PHE HB2 4.08 &rst ixpk= 0, nxpk= 0, iat= 176, 180, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 12 PHE HN 12 PHE HD 2.98 &rst ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2= 184, 192, &end # # 41 CYX HB3 42 GLY HN 3.69 &rst ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 31 GLU HB2 42 GLY HN 4.47 &rst ixpk= 0, nxpk= 0, iat= 473, 622, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 2 HIS HN 2 HIS HD2 4.22 &rst ixpk= 0, nxpk= 0, iat= 20, 33, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 3 LYS HN 3 LYS QG 4.29 &rst ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 44, 45, &end # # 3 LYS HA 3 LYS QG 3.43 &rst ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2= 44, 45, &end # # 3 LYS QB 7 ASN QD2 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 41, 42, igr2= 117, 118, &end # # 3 LYS QG 3 LYS QE 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr1= 44, 45, igr2= 50, 51, &end # # 4 MET HN 4 MET QG 3.11 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 66, 67, &end # # 4 MET HA 4 MET QG 3.45 &rst ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2= 66, 67, &end # # 4 MET QB 4 MET QG 2.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, igr1= 63, 64, igr2= 66, 67, &end # # 4 MET QG 6 LYS QB 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 66, 67, igr2= 90, 91, &end # # 5 ALA HA 8 GLN QG 3.47 &rst ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 129, 130, &end # # 6 LYS HN 6 LYS QB 3.07 &rst ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2= 90, 91, &end # # 6 LYS HN 6 LYS QG 3.92 &rst ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 93, 94, &end # # 6 LYS HN 7 ASN QD2 5.34 &rst ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 117, 118, &end # # 6 LYS HA 6 LYS QG 3.72 &rst ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 93, 94, &end # # 6 LYS QB 6 LYS QG 2.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, igr1= 90, 91, igr2= 93, 94, &end # # 6 LYS QB 6 LYS QD 2.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, igr1= 90, 91, igr2= 96, 97, &end # # 6 LYS QB 6 LYS QE 4.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 90, 91, igr2= 99, 100, &end # # 6 LYS QB 6 LYS HNZ 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 90, 91, igr2= 102, 103, 104, &end # # 6 LYS QB 7 ASN HN 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 90, 91, &end # # 6 LYS QG 6 LYS QD 2.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, igr1= 93, 94, igr2= 96, 97, &end # # 6 LYS QG 6 LYS QE 3.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 93, 94, igr2= 99, 100, &end # # 6 LYS QG 6 LYS HNZ 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 93, 94, igr2= 102, 103, 104, &end # # 7 ASN HN 7 ASN QD2 4.34 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 117, 118, &end # # 7 ASN HA 7 ASN QD2 3.33 &rst ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 117, 118, &end # # 7 ASN QB 7 ASN QD2 2.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr1= 112, 113, igr2= 117, 118, &end # # 8 GLN HN 8 GLN QG 3.52 &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 129, 130, &end # # 8 GLN QG 9 PHE HD 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1= 129, 130, igr2= 147, 155, &end # # 8 GLN QG 10 GLY HN 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1= 129, 130, &end # # 8 GLN QG 10 GLY QA 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 129, 130, igr2= 161, 162, &end # # 9 PHE HE 39 CYX QB 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 149, 153, igr2= 584, 585, &end # # 9 PHE HD 39 CYX QB 3.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 147, 155, igr2= 584, 585, &end # # 10 GLY HN 11 CYX QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 170, 171, &end # # 11 CYX HN 11 CYX QB 3.18 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2= 170, 171, &end # # 11 CYX HA 17 VAL QQG 3.92 &rst ixpk= 0, nxpk= 0, iat= 168, 251, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 11 CYX QB 12 PHE HN 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 170, 171, &end # # 11 CYX QB 17 VAL QQG 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 170, 171, &end # # 11 CYX QB 34 CYX QB 3.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1= 170, 171, igr2= 514, 515, &end # # 12 PHE HN 17 VAL QQG 3.63 &rst ixpk= 0, nxpk= 0, iat= 176, 251, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 13 ALA HN 36 GLY QA 4.19 &rst ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 539, 540, &end # # 14 ASN HN 36 GLY QA 3.44 &rst ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 539, 540, &end # # 14 ASN QB 14 ASN HD21 2.92 &rst ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr1= 210, 211, &end # # 14 ASN QB 14 ASN HD22 3.52 &rst ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr1= 210, 211, &end # # 15 VAL HB 17 VAL QQG 3.48 &rst ixpk= 0, nxpk= 0, iat= 224, 251, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 16 ASP HN 16 ASP QB 2.92 &rst ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 240, 241, &end # # 16 ASP HN 17 VAL QQG 4.54 &rst ixpk= 0, nxpk= 0, iat= 236, 251, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 16 ASP HA 17 VAL QQG 4.06 &rst ixpk= 0, nxpk= 0, iat= 238, 251, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 17 VAL HN 17 VAL QQG 3.21 &rst ixpk= 0, nxpk= 0, iat= 248, 251, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 17 VAL QQG 18 LYS HN 4.11 &rst ixpk= 0, nxpk= 0, iat= 251, 264, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 18 LYS HN 18 LYS QG 3.55 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2= 271, 272, &end # # 18 LYS QG 18 LYS HNZ 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 271, 272, igr2= 280, 281, 282, &end # # 20 ASP QB 22 LYS QB 5.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 297, 298, igr2= 319, 320, &end # # 22 LYS HN 22 LYS QB 2.90 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, igr2= 319, 320, &end # # 22 LYS QB 22 LYS QD 3.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1= 319, 320, igr2= 325, 326, &end # # 22 LYS QB 22 LYS QE 3.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1= 319, 320, igr2= 328, 329, &end # # 22 LYS QB 22 LYS HNZ 4.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 319, 320, igr2= 331, 332, 333, &end # # 22 LYS QB 23 ARG HN 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 319, 320, &end # # 23 ARG HN 23 ARG QD 4.10 &rst ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 347, 348, &end # # 26 LYS HN 26 LYS QG 4.34 &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 395, 396, &end # # 26 LYS HN 26 LYS QD 4.72 &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 398, 399, &end # # 26 LYS HA 26 LYS QG 3.41 &rst ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 395, 396, &end # # 26 LYS HA 26 LYS QD 4.32 &rst ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 398, 399, &end # # 29 ASP HN 29 ASP QB 3.57 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2= 439, 440, &end # # 30 LYS QD 31 GLU QG 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 457, 458, igr2= 476, 477, &end # # 31 GLU HN 31 GLU QB 3.16 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 473, 474, &end # # 31 GLU QB 32 GLY HN 3.37 &rst ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 473, 474, &end # # 31 GLU QB 42 GLY HN 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 473, 474, &end # # 31 GLU QG 32 GLY HN 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 476, 477, &end # # 31 GLU QG 42 GLY HN 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 476, 477, &end # # 35 HIS HN 35 HIS QB 3.40 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 524, 525, &end # # 35 HIS HA 36 GLY QA 4.57 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 539, 540, &end # # 35 HIS QB 35 HIS HD2 3.40 &rst ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr1= 524, 525, &end # # 35 HIS HD2 40 LYS QB 2.93 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 594, 595, &end # # 36 GLY QA 37 THR HN 2.85 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr1= 539, 540, &end # # 36 GLY QA 38 LYS HN 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 539, 540, &end # # 38 LYS HN 38 LYS QD 3.72 &rst ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 568, 569, &end # # 38 LYS HA 38 LYS QD 3.42 &rst ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2= 568, 569, &end # # 38 LYS HB3 38 LYS QD 2.95 &rst ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2= 568, 569, &end # # 38 LYS QG 38 LYS QD 2.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, igr1= 565, 566, igr2= 568, 569, &end # # 38 LYS QG 38 LYS QE 3.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 565, 566, igr2= 571, 572, &end # # 38 LYS QD 39 CYX HN 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 568, 569, &end # # 39 CYX HN 39 CYX QB 2.97 &rst ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, igr2= 584, 585, &end # # 39 CYX QB 40 LYS HN 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 584, 585, &end # # 40 LYS HN 40 LYS QB 3.22 &rst ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 594, 595, &end # # 40 LYS QB 40 LYS QE 4.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 594, 595, igr2= 603, 604, &end # # 40 LYS QB 41 CYX HN 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 594, 595, &end # # 44 PRO QB 45 ILE HN 3.60 &rst ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 652, 653, &end # # 46 SER HN 46 SER QB 2.95 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2= 682, 683, &end
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