NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
9903 | 1ozo | 5103 | cing | 1-original | 3 | AMBER | distance | NOE | ambi |
# # 31 GLY HN 32 GLU HN 6.00 (# 10:10 Preassigned 2.66, 2.75 A) &rst ixpk= 10, nxpk= 10, iat= 449, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2=40.0, rk3=40.0, ir6=1, ialtd=0, &end # # 31 GLY HN 30 LYS HN 4.50 (# 11:10 Preassigned 2.93, 3.11 A) &rst ixpk= 11, nxpk= 10, iat= 449, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 VAL HN 28 LEU HN 4.50 (# 16:10 Unique 2.99, 3.49 A) &rst ixpk= 16, nxpk= 10, iat=1031, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 VAL HN 70 ASP HN 6.00 (# 19:10 Preassigned 4.08, 4.25 A) &rst ixpk= 19, nxpk= 10, iat=1031,1047, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 79 ALA HN 80 ALA HN 4.50 (# 62:10 Preassigned 2.82, 2.90 A) &rst ixpk= 62, nxpk= 10, iat=1196,1206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA HN 78 VAL HN 4.50 (# 69:10 Preassigned 2.76, 2.92 A) &rst ixpk= 69, nxpk= 10, iat=1196,1180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 16 SER HN 17 ARG HN 6.00 (# 84:10 Preassigned 1.89, 3.24 A) &rst ixpk= 84, nxpk= 10, iat= 231, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 16 SER HN 15 PHE HN 4.50 (# 87:10 Preassigned 2.50, 2.98 A) &rst ixpk= 87, nxpk= 10, iat= 231, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LEU HN 34 LYS HN 6.00 (# 94:10 Preassigned 2.52, 2.89 A) &rst ixpk= 94, nxpk= 10, iat= 471, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 6 ALA HN 5 GLU HN 4.50 (# 101:10 Single Ambig) &rst ixpk= 101, nxpk= 10, iat= 84, 69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 PHE HN 73 GLU HN 3.50 (# 103:10 Preassigned 2.21, 2.34 A) &rst ixpk= 103, nxpk= 10, iat=1105,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HN 75 ILE HN 4.50 (# 109:10 Unique 2.69, 2.88 A) &rst ixpk= 109, nxpk= 10, iat=1105,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LEU HN 32 GLU HN 4.50 (# 123:10 Preassigned 2.12, 2.27 A) &rst ixpk= 123, nxpk= 10, iat= 471, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 ASP HN 71 PHE HN 4.50 (# 139:10 Preassigned 4.54, 4.63 A) &rst ixpk= 139, nxpk= 10, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 40 GLU HN 39 LYS HN 4.50 (# 156:10 Preassigned 2.34, 3.22 A) &rst ixpk= 156, nxpk= 10, iat= 601, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE HN 72 SER HN 4.50 (# 163:10 Preassigned 2.70, 2.85 A) &rst ixpk= 163, nxpk= 10, iat=1059,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET HN 38 GLU HN 4.50 (# 175:10 Preassigned 2.34, 3.76 A) &rst ixpk= 175, nxpk= 10, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 GLN HN 27 THR HN 4.50 (# 192:10 Preassigned 1.97, 3.44 A) &rst ixpk= 192, nxpk= 10, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS HN 31 GLY HN 4.50 (# 198:10 Preassigned 2.93, 3.11 A) &rst ixpk= 198, nxpk= 10, iat= 427, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 VAL HN 77 PHE HN 4.50 (# 290:10 Preassigned 2.88, 3.03 A) &rst ixpk= 290, nxpk= 10, iat=1180,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN HN 67 ALA HN 3.50 (# 300:10 Preassigned 1.74, 1.90 A) &rst ixpk= 300, nxpk= 10, iat=1014,1004, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HN 54 VAL HN 4.50 (# 346:10 Preassigned 2.65, 3.36 A) &rst ixpk= 346, nxpk= 10, iat= 824, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 36 LEU HN 37 MET HN 4.50 (# 378:10 Preassigned 2.23, 3.11 A) &rst ixpk= 378, nxpk= 10, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 THR HN 83 SER HN 4.50 (# 391:10 Preassigned 2.75, 2.89 A) &rst ixpk= 391, nxpk= 10, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HN 70 ASP HN 4.50 (# 401:10 Preassigned 3.63, 3.97 A) &rst ixpk= 401, nxpk= 10, iat=1090,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HN 74 PHE HN 4.50 (# 403:10 Preassigned 2.21, 2.34 A) &rst ixpk= 403, nxpk= 10, iat=1090,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 GLU HN 37 MET HN 4.50 (# 456:10 Preassigned 2.34, 3.76 A) &rst ixpk= 456, nxpk= 10, iat= 564, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 72 SER HN 71 PHE HN 4.50 (# 461:10 Preassigned 2.70, 2.85 A) &rst ixpk= 461, nxpk= 10, iat=1079,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HN 6 ALA HN 4.50 (# 484:10 Preassigned 2.13, 2.42 A) &rst ixpk= 484, nxpk= 10, iat= 69, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 THR HN 26 GLN HN 6.00 (# 486:10 Preassigned 1.97, 3.44 A) &rst ixpk= 486, nxpk= 10, iat= 380, 363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HN 6 ALA HN 4.50 (# 499:10 Preassigned 2.13, 2.42 A) &rst ixpk= 499, nxpk= 10, iat= 69, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HN 74 PHE HN 4.50 (# 501:10 Preassigned 2.69, 2.88 A) &rst ixpk= 501, nxpk= 10, iat=1125,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HN 4 LEU HN 6.00 (# 503:10 Preassigned 2.21, 2.46 A) &rst ixpk= 503, nxpk= 10, iat= 69, 50, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HN 4 LEU HN 6.00 (# 504:10 Preassigned 2.21, 2.46 A) &rst ixpk= 504, nxpk= 10, iat= 69, 50, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 49 LYS HN 50 ASP HN 3.50 (# 507:10 Preassigned 3.04, 3.46 A) &rst ixpk= 507, nxpk= 10, iat= 730, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 PHE HN 78 VAL HN 3.50 (# 509:10 Preassigned 2.88, 3.03 A) &rst ixpk= 509, nxpk= 10, iat=1160,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 89 PHE HN 90 GLU HN 4.50 (# 536:10 Preassigned 2.59, 3.70 A) &rst ixpk= 536, nxpk= 10, iat=1341,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 SER HN 82 THR HN 4.50 (# 545:10 Preassigned 2.75, 2.89 A) &rst ixpk= 545, nxpk= 10, iat=1249,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HN 16 SER HN 4.50 (# 548:10 Preassigned 2.50, 2.98 A) &rst ixpk= 548, nxpk= 10, iat= 211, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 41 LEU HN 39 LYS HN 4.50 (# 572:10 Preassigned 3.01, 4.11 A) &rst ixpk= 572, nxpk= 10, iat= 616, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 41 LEU HN 40 GLU HN 4.50 (# 577:10 Preassigned 2.13, 3.01 A) &rst ixpk= 577, nxpk= 10, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 20 GLY HN 19 SER HN 3.50 (# 591:10 Preassigned 2.57, 2.82 A) &rst ixpk= 591, nxpk= 10, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 MET HN 8 MET HN 6.00 (# 621:10 Preassigned 3.12, 3.73 A) &rst ixpk= 621, nxpk= 10, iat= 128, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 ARG HN 16 SER HN 4.50 (# 623:10 Preassigned 1.89, 3.24 A) &rst ixpk= 623, nxpk= 10, iat= 242, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 ALA HN 62 ASP HN 3.50 (# 649:10 Preassigned 3.07, 3.31 A) &rst ixpk= 649, nxpk= 10, iat= 961, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 GLU HN 29 THR HN 6.00 (# 653:10 Preassigned 3.75, 4.05 A) &rst ixpk= 653, nxpk= 10, iat= 456, 413, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 44 PHE HN 43 GLY HN 4.50 (# 665:10 Preassigned 2.73, 3.30 A) &rst ixpk= 665, nxpk= 10, iat= 656, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 GLN HN 47 SER HN 3.50 (# 677:10 Preassigned 1.76, 3.22 A) &rst ixpk= 677, nxpk= 10, iat= 695, 712, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HN 62 ASP HN 3.50 (# 691:10 Preassigned 1.97, 2.44 A) &rst ixpk= 691, nxpk= 10, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 66 ASP HN 65 GLY HN 4.50 (# 700:10 Preassigned 1.80, 2.71 A) &rst ixpk= 700, nxpk= 10, iat= 992, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 ASP HN 61 LEU HN 3.50 (# 761:10 Preassigned 1.97, 2.44 A) &rst ixpk= 761, nxpk= 10, iat= 949, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 TYR HN 17 ARG HN 3.50 (# 766:10 Double Ambig) &rst ixpk= 766, nxpk= 10, iat= 266, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ASP HN 63 ALA HN 3.50 (# 767:10 Preassigned 3.07, 3.31 A) &rst ixpk= 767, nxpk= 10, iat= 949, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HN 58 LEU HN 4.50 (# 781:10 Preassigned 2.13, 2.65 A) &rst ixpk= 781, nxpk= 10, iat= 858, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 76 VAL HN 77 PHE HN 4.50 (# 788:10 Preassigned 2.46, 2.57 A) &rst ixpk= 788, nxpk= 10, iat=1144,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 PHE HE1 44 PHE HN 6.00 (# 790:10 Preassigned 4.31, 4.99 A) &rst ixpk= 790, nxpk= 10, iat= 666, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 VAL HN 78 VAL HN 6.00 (# 794:10 Preassigned 4.06, 4.31 A) &rst ixpk= 794, nxpk= 10, iat=1144,1180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 15 PHE HN 6.00 (# 813:10 Preassigned 3.47, 4.07 A) &rst ixpk= 813, nxpk= 10, iat=1115, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 78 VAL HN 6.00 (# 816:10 Unique 4.85, 5.86 A) &rst ixpk= 816, nxpk= 10, iat=1115,1180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 74 PHE HN 6.00 (# 817:10 Preassigned 6.45, 6.77 A) &rst ixpk= 817, nxpk= 10, iat=1115,1105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 39 LYS HN 38 GLU HN 4.50 (# 826:10 Preassigned 1.99, 3.05 A) &rst ixpk= 826, nxpk= 10, iat= 579, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS HN 40 GLU HN 4.50 (# 829:10 Preassigned 2.34, 3.22 A) &rst ixpk= 829, nxpk= 10, iat= 579, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 LEU HN 56 LYS HN 4.50 (# 895:10 Preassigned 2.15, 2.39 A) &rst ixpk= 895, nxpk= 10, iat= 858, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 ASP HA 70 ASP HN 4.50 (# 1068:10 Preassigned 2.91, 2.93 A) &rst ixpk= 1068, nxpk= 10, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 THR HA 28 LEU HN 3.50 (# 1069:10 Preassigned 2.44, 2.65 A) &rst ixpk= 1069, nxpk= 10, iat= 382, 394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 THR HA 69 VAL HN 4.50 (# 1070:10 Preassigned 3.37, 3.82 A) &rst ixpk= 1070, nxpk= 10, iat= 415,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 ASP HA 71 PHE HN 3.50 (# 1071:10 Preassigned 2.23, 2.45 A) &rst ixpk= 1071, nxpk= 10, iat=1049,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 THR HA 30 LYS HN 4.50 (# 1075:10 Preassigned 2.24, 2.39 A) &rst ixpk= 1075, nxpk= 10, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 2 THR HB 3 GLU HN 3.50 (# 1076:10 Preassigned 2.17, 3.37 A) &rst ixpk= 1076, nxpk= 10, iat= 25, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 THR HB 30 LYS HN 4.50 (# 1079:10 Preassigned 3.72, 3.83 A) &rst ixpk= 1079, nxpk= 10, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 THR HA 27 THR HN 4.50 (# 1199:10 Double Ambig) &rst ixpk= 1199, nxpk= 10, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 ASN HA 64 ASN HN 4.50 (# 1202:10 Preassigned 2.78, 2.84 A) &rst ixpk= 1202, nxpk= 10, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 40 GLU HA 40 GLU HN 4.50 (# 1204:10 Preassigned 2.41, 2.75 A) &rst ixpk= 1204, nxpk= 10, iat= 603, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 ASN HA 65 GLY HN 4.50 (# 1342:10 Preassigned 3.49, 3.63 A) &rst ixpk= 1342, nxpk= 10, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 94 LEU HA 95 LYS HN 3.50 (# 1367:10 Preassigned 3.17, 3.32 A) &rst ixpk= 1367, nxpk= 10, iat=1421,1438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 VAL HA 69 VAL HN 3.50 (# 1382:10 Preassigned 2.47, 2.77 A) &rst ixpk= 1382, nxpk= 10, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN HA 30 LYS HN 4.50 (# 1388:10 Unique 4.13, 4.44 A) &rst ixpk= 1388, nxpk= 10, iat=1016, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 2 THR HA 3 GLU HN 3.50 (# 1399:10 Preassigned 2.27, 2.60 A) &rst ixpk= 1399, nxpk= 10, iat= 23, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 VAL HA 68 GLN HN 6.00 (# 1402:10 Preassigned 5.01, 5.18 A) &rst ixpk= 1402, nxpk= 10, iat=1033,1014, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 69 VAL HA 69 VAL HN 3.50 (# 1427:10 Preassigned 2.47, 2.77 A) &rst ixpk= 1427, nxpk= 10, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ASP HA 60 ASP HN 3.50 (# 1431:10 Preassigned 2.79, 2.83 A) &rst ixpk= 1431, nxpk= 10, iat= 920, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ALA HA 7 ALA HN 3.50 (# 1434:10 Preassigned 2.94, 2.97 A) &rst ixpk= 1434, nxpk= 10, iat= 96, 94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 86 HIS HA 89 PHE HN 3.50 (# 1445:10 Preassigned 3.10, 3.93 A) &rst ixpk= 1445, nxpk= 10, iat=1283,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ASP HA 61 LEU HN 4.50 (# 1460:10 Preassigned 3.31, 3.37 A) &rst ixpk= 1460, nxpk= 10, iat= 920, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASP HA 60 ASP HN 3.50 (# 1463:10 Preassigned 2.79, 2.83 A) &rst ixpk= 1463, nxpk= 10, iat= 920, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 MET HA 11 ILE HN 4.50 (# 1468:10 Preassigned 3.28, 3.57 A) &rst ixpk= 1468, nxpk= 10, iat= 130, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET HA 10 MET HN 3.50 (# 1472:10 Preassigned 2.82, 2.87 A) &rst ixpk= 1472, nxpk= 10, iat= 130, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 63 ALA HA 63 ALA HN 3.50 (# 1480:10 Preassigned 2.65, 2.78 A) &rst ixpk= 1480, nxpk= 10, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 ALA HA 7 ALA HN 3.50 (# 1487:10 Preassigned 2.05, 3.04 A) &rst ixpk= 1487, nxpk= 10, iat= 86, 94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 67 ALA HA 67 ALA HN 4.50 (# 1496:10 Preassigned 2.73, 2.86 A) &rst ixpk= 1496, nxpk= 10, iat=1006,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ALA HA 84 ALA HN 4.50 (# 1521:10 Preassigned 2.83, 2.91 A) &rst ixpk= 1521, nxpk= 10, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 LEU HA 58 LEU HN 3.50 (# 1527:10 Preassigned 3.20, 3.42 A) &rst ixpk= 1527, nxpk= 10, iat= 860, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HA 57 LEU HN 3.50 (# 1536:10 Preassigned 2.89, 2.94 A) &rst ixpk= 1536, nxpk= 10, iat= 860, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 THR HB 69 VAL HN 6.00 (# 1543:10 Preassigned 3.29, 3.74 A) &rst ixpk= 1543, nxpk= 10, iat= 384,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 LYS HA 57 LEU HN 3.50 (# 1544:10 Preassigned 3.19, 3.44 A) &rst ixpk= 1544, nxpk= 10, iat= 838, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HA 59 LYS HN 4.50 (# 1549:10 Preassigned 4.06, 4.79 A) &rst ixpk= 1549, nxpk= 10, iat= 860, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HA 45 LEU HN 3.50 (# 1550:10 Preassigned 4.12, 4.76 A) &rst ixpk= 1550, nxpk= 10, iat= 645, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 ALA HA 6 ALA HN 3.50 (# 1552:10 Preassigned 2.33, 2.79 A) &rst ixpk= 1552, nxpk= 10, iat= 86, 84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 49 LYS HA 49 LYS HN 4.50 (# 1564:10 Preassigned 2.20, 2.51 A) &rst ixpk= 1564, nxpk= 10, iat= 732, 730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 PHE HA 74 PHE HN 4.50 (# 1571:10 Preassigned 2.70, 2.82 A) &rst ixpk= 1571, nxpk= 10, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 GLU HA 4 LEU HN 4.50 (# 1577:10 Preassigned 3.43, 3.54 A) &rst ixpk= 1577, nxpk= 10, iat= 37, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 THR HB 83 SER HN 4.50 (# 1581:10 Preassigned 2.55, 3.53 A) &rst ixpk= 1581, nxpk= 10, iat=1239,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 GLU HA 90 GLU HN 3.50 (# 1583:10 Preassigned 2.88, 2.93 A) &rst ixpk= 1583, nxpk= 10, iat=1363,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 35 VAL HA 36 LEU HN 3.50 (# 1605:10 Preassigned 3.32, 3.40 A) &rst ixpk= 1605, nxpk= 10, iat= 514, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS HA 60 ASP HN 3.50 (# 1609:10 Preassigned 3.52, 3.56 A) &rst ixpk= 1609, nxpk= 10, iat= 898, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 THR HB 28 LEU HN 3.50 (# 1611:10 Preassigned 2.18, 2.32 A) &rst ixpk= 1611, nxpk= 10, iat= 384, 394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 ALA HA 57 LEU HN 3.50 (# 1614:10 Preassigned 2.48, 3.40 A) &rst ixpk= 1614, nxpk= 10, iat= 800, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 49 LYS HA 50 ASP HN 3.50 (# 1618:10 Preassigned 2.02, 2.09 A) &rst ixpk= 1618, nxpk= 10, iat= 732, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS HA 59 LYS HN 3.50 (# 1631:10 Preassigned 2.52, 2.75 A) &rst ixpk= 1631, nxpk= 10, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 LEU HA 45 LEU HN 3.50 (# 1632:10 Preassigned 2.75, 2.93 A) &rst ixpk= 1632, nxpk= 10, iat= 678, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 93 GLY QA 90 GLU HN 3.50 (# 1648:10 Double Ambig) &rst ixpk= 1648, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1414,1415, &end # # 80 ALA HA 80 ALA HN 3.50 (# 1649:10 Preassigned 2.93, 2.96 A) &rst ixpk= 1649, nxpk= 10, iat=1208,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 GLY QA 22 GLU HN 4.50 (# 1652:10 Preassigned 3.00, 4.96 A) &rst ixpk= 1652, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 300, 301, &end # # 58 LEU HA 61 LEU HN 3.50 (# 1660:10 Preassigned 3.68, 4.00 A) &rst ixpk= 1660, nxpk= 10, iat= 879, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 GLN HA 25 THR HN 3.50 (# 1687:10 Preassigned 2.13, 4.11 A) &rst ixpk= 1687, nxpk= 10, iat= 365, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 SER HA 21 SER HN 3.50 (# 1693:10 Preassigned 2.26, 2.65 A) &rst ixpk= 1693, nxpk= 10, iat= 307, 305, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ASP HA 62 ASP HN 3.50 (# 1694:10 Preassigned 2.48, 2.67 A) &rst ixpk= 1694, nxpk= 10, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 1 MET HA 2 THR HN 4.50 (# 1697:10 Preassigned 2.28, 2.60 A) &rst ixpk= 1697, nxpk= 10, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 ASP HA 56 LYS HN 4.50 (# 1714:10 Preassigned 3.47, 3.50 A) &rst ixpk= 1714, nxpk= 10, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 ALA HA 64 ASN HN 3.50 (# 1716:10 Preassigned 3.45, 3.48 A) &rst ixpk= 1716, nxpk= 10, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HA 38 GLU HN 4.50 (# 1719:10 Preassigned 2.24, 4.22 A) &rst ixpk= 1719, nxpk= 10, iat= 581, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS HA 39 LYS HN 3.50 (# 1723:10 Preassigned 2.29, 2.71 A) &rst ixpk= 1723, nxpk= 10, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 84 ALA HA 85 SER HN 4.50 (# 1731:10 Preassigned 3.29, 3.49 A) &rst ixpk= 1731, nxpk= 10, iat=1262,1270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 THR HB 68 GLN HE22 6.00 (# 1737:10 Preassigned 5.67, 6.10 A) &rst ixpk= 1737, nxpk= 10, iat= 353,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 57 LEU HA 56 LYS HN 4.50 (# 1739:10 Preassigned 4.75, 5.03 A) &rst ixpk= 1739, nxpk= 10, iat= 860, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 GLN HA 46 GLN HN 3.50 (# 1748:10 Preassigned 2.19, 2.36 A) &rst ixpk= 1748, nxpk= 10, iat= 697, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 82 THR HB 82 THR HN 4.50 (# 1752:10 Preassigned 2.09, 2.81 A) &rst ixpk= 1752, nxpk= 10, iat=1239,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 SER HA 19 SER HN 3.50 (# 1755:10 Preassigned 2.74, 2.86 A) &rst ixpk= 1755, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 ALA HA 8 MET HN 6.00 (# 1756:10 Preassigned 3.81, 4.86 A) &rst ixpk= 1756, nxpk= 10, iat= 86, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 ARG HA 18 TYR HN 3.50 (# 1775:10 Preassigned 3.27, 3.48 A) &rst ixpk= 1775, nxpk= 10, iat= 244, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 47 SER QB 47 SER HN 3.50 (# 1778:10 Preassigned 2.38, 2.86 A) &rst ixpk= 1778, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 716, 717, &end # # 48 GLY QA 47 SER HN 3.50 (# 1779:10 Preassigned 2.15, 3.34 A) &rst ixpk= 1779, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 725, 726, &end # # 19 SER HA 19 SER HN 3.50 (# 1785:10 Preassigned 2.74, 2.86 A) &rst ixpk= 1785, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 GLY QA 16 SER HN 4.50 (# 1787:10 Unique 1.85, 4.40 A) &rst ixpk= 1787, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 300, 301, &end # # 53 ALA HA 56 LYS HN 4.50 (# 1793:10 Unique 2.84, 3.13 A) &rst ixpk= 1793, nxpk= 10, iat= 800, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 80 ALA HA 82 THR HN 4.50 (# 1794:10 Preassigned 4.15, 4.43 A) &rst ixpk= 1794, nxpk= 10, iat=1208,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HA 46 GLN HN 3.50 (# 1802:10 Double Ambig) &rst ixpk= 1802, nxpk= 10, iat= 678, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 SER HB2 24 SER HN 3.50 (# 1805:10 Preassigned 2.51, 3.08 A) &rst ixpk= 1805, nxpk= 10, iat= 342, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 SER QB 21 SER HN 3.50 (# 1806:10 Preassigned 3.06, 3.64 A) &rst ixpk= 1806, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 309, 310, &end # # 24 SER HA 23 GLY HN 3.50 (# 1832:10 Preassigned 3.63, 3.76 A) &rst ixpk= 1832, nxpk= 10, iat= 340, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 GLY QA 20 GLY HN 3.50 (# 1836:10 Preassigned 2.26, 2.57 A) &rst ixpk= 1836, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 300, 301, &end # # 23 GLY HA2 23 GLY HN 3.50 (# 1839:10 Preassigned 2.57, 2.78 A) &rst ixpk= 1839, nxpk= 10, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 43 GLY QA 44 PHE HN 3.50 (# 1847:10 Preassigned 2.35, 3.39 A) &rst ixpk= 1847, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 651, 652, &end # # 9 GLY HA2 11 ILE HN 4.50 (# 1850:10 Preassigned 3.16, 4.30 A) &rst ixpk= 1850, nxpk= 10, iat= 123, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 LEU HA 59 LYS HN 3.50 (# 1851:10 Preassigned 3.53, 3.59 A) &rst ixpk= 1851, nxpk= 10, iat= 879, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 VAL HA 57 LEU HN 4.50 (# 1855:10 Preassigned 3.11, 3.66 A) &rst ixpk= 1855, nxpk= 10, iat= 810, 858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 LYS HA 60 ASP HN 3.50 (# 1857:10 Preassigned 3.52, 3.56 A) &rst ixpk= 1857, nxpk= 10, iat= 898, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 LEU HA 36 LEU HN 4.50 (# 1858:10 Preassigned 3.56, 3.87 A) &rst ixpk= 1858, nxpk= 10, iat= 473, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HA 77 PHE HN 4.50 (# 1859:10 Preassigned 3.88, 4.19 A) &rst ixpk= 1859, nxpk= 10, iat=1092,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 LEU HA 58 LEU HN 3.50 (# 1861:10 Preassigned 2.40, 2.73 A) &rst ixpk= 1861, nxpk= 10, iat= 879, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HA 61 LEU HN 3.50 (# 1862:10 Preassigned 2.09, 2.79 A) &rst ixpk= 1862, nxpk= 10, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 93 GLY QA 90 GLU HN 3.50 (# 1866:10 Double Ambig) &rst ixpk= 1866, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1414,1415, &end # # 65 GLY QA 67 ALA HN 4.50 (# 1867:10 Preassigned 5.03, 6.37 A) &rst ixpk= 1867, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 987, 988, &end # # 33 LEU HA 33 LEU HN 4.50 (# 1870:10 Preassigned 2.74, 2.81 A) &rst ixpk= 1870, nxpk= 10, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HA 73 GLU HN 3.50 (# 1871:10 Preassigned 2.91, 2.96 A) &rst ixpk= 1871, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HA 74 PHE HN 4.50 (# 1883:10 Preassigned 3.49, 3.51 A) &rst ixpk= 1883, nxpk= 10, iat=1092,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 43 GLY QA 46 GLN HN 3.50 (# 1894:10 Preassigned 2.51, 4.39 A) &rst ixpk= 1894, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 651, 652, &end # # 9 GLY HA3 11 ILE HN 4.50 (# 1916:10 Preassigned 3.16, 4.50 A) &rst ixpk= 1916, nxpk= 10, iat= 124, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 80 ALA HA 81 ILE HN 3.50 (# 1920:10 Preassigned 3.50, 3.59 A) &rst ixpk= 1920, nxpk= 10, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 SER QB 22 GLU HN 3.50 (# 1924:10 Double Ambig) &rst ixpk= 1924, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 309, 310, &end # # 9 GLY HA3 10 MET HN 3.50 (# 1929:10 Preassigned 2.87, 3.25 A) &rst ixpk= 1929, nxpk= 10, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 GLY HA3 13 ASP HN 6.00 (# 1947:10 Preassigned 3.84, 4.60 A) &rst ixpk= 1947, nxpk= 10, iat= 124, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 81 ILE HA 84 ALA HN 4.50 (# 1948:10 Preassigned 2.65, 2.92 A) &rst ixpk= 1948, nxpk= 10, iat=1218,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HA 81 ILE HN 4.50 (# 1953:10 Preassigned 2.86, 2.88 A) &rst ixpk= 1953, nxpk= 10, iat=1218,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 ILE HA 11 ILE HN 4.50 (# 1962:10 Preassigned 2.72, 2.90 A) &rst ixpk= 1962, nxpk= 10, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET HA 37 MET HN 4.50 (# 1964:10 Preassigned 2.09, 2.59 A) &rst ixpk= 1964, nxpk= 10, iat= 549, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 VAL HA 15 PHE HN 3.50 (# 1972:10 Preassigned 2.84, 3.34 A) &rst ixpk= 1972, nxpk= 10, iat= 197, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 LYS HA 37 MET HN 4.50 (# 1987:10 Preassigned 3.16, 4.07 A) &rst ixpk= 1987, nxpk= 10, iat= 492, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 ILE HA 11 ILE HN 4.50 (# 1991:10 Preassigned 2.72, 2.90 A) &rst ixpk= 1991, nxpk= 10, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HA 5 GLU HN 4.50 (# 1997:10 Preassigned 2.89, 2.94 A) &rst ixpk= 1997, nxpk= 10, iat= 71, 69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HD2 41 LEU HN 4.50 (# 2003:10 Preassigned 3.28, 3.90 A) &rst ixpk= 2003, nxpk= 10, iat= 636, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 ASP HB2 70 ASP HN 4.50 (# 2006:10 Preassigned 2.27, 2.52 A) &rst ixpk= 2006, nxpk= 10, iat=1051,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE HA 71 PHE HN 3.50 (# 2007:10 Preassigned 2.75, 2.83 A) &rst ixpk= 2007, nxpk= 10, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HB2 74 PHE HN 3.50 (# 2012:10 Preassigned 2.22, 2.53 A) &rst ixpk= 2012, nxpk= 10, iat=1109,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HA 62 ASP HN 3.50 (# 2021:10 Preassigned 2.31, 3.34 A) &rst ixpk= 2021, nxpk= 10, iat= 932, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 LYS HA 56 LYS HN 3.50 (# 2028:10 Preassigned 2.88, 2.95 A) &rst ixpk= 2028, nxpk= 10, iat= 838, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 GLY QA 66 ASP HN 3.50 (# 2029:10 Preassigned 2.36, 3.13 A) &rst ixpk= 2029, nxpk= 10, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 987, 988, &end # # 24 SER HB2 25 THR HN 3.50 (# 2039:10 Preassigned 1.83, 3.16 A) &rst ixpk= 2039, nxpk= 10, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 SER HB2 68 GLN HE22 6.00 (# 2041:10 Preassigned 4.35, 4.92 A) &rst ixpk= 2041, nxpk= 10, iat= 342,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 LEU HA 64 ASN HN 3.50 (# 2043:10 Preassigned 4.05, 4.25 A) &rst ixpk= 2043, nxpk= 10, iat= 932, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 23 GLY HA3 27 THR HN 6.00 (# 2052:10 Unique 4.69, 6.27 A) &rst ixpk= 2052, nxpk= 10, iat= 334, 380, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 24 SER HB3 24 SER HN 3.50 (# 2054:10 Preassigned 2.45, 3.07 A) &rst ixpk= 2054, nxpk= 10, iat= 343, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 GLU HA 38 GLU HN 3.50 (# 2057:10 Preassigned 2.14, 2.73 A) &rst ixpk= 2057, nxpk= 10, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 GLU HA 39 LYS HN 4.50 (# 2064:10 Preassigned 3.07, 3.36 A) &rst ixpk= 2064, nxpk= 10, iat= 566, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 20 GLY QA 21 SER HN 3.50 (# 2066:10 Preassigned 2.94, 3.26 A) &rst ixpk= 2066, nxpk= 10, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 300, 301, &end # # 81 ILE HA 85 SER HN 4.50 (# 2073:10 Preassigned 3.20, 3.88 A) &rst ixpk= 2073, nxpk= 10, iat=1218,1270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET HA 38 GLU HN 3.50 (# 2074:10 Preassigned 3.23, 3.44 A) &rst ixpk= 2074, nxpk= 10, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HA 82 THR HN 3.50 (# 2083:10 Preassigned 3.49, 3.52 A) &rst ixpk= 2083, nxpk= 10, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 PHE HA 16 SER HN 4.50 (# 2094:10 Preassigned 2.23, 2.98 A) &rst ixpk= 2094, nxpk= 10, iat= 213, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 SER HB2 19 SER HN 4.50 (# 2095:10 Preassigned 2.35, 3.07 A) &rst ixpk= 2095, nxpk= 10, iat= 291, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE HA 72 SER HN 4.50 (# 2100:10 Preassigned 3.49, 3.54 A) &rst ixpk= 2100, nxpk= 10, iat=1061,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 48 GLY QA 48 GLY HN 3.50 (# 2101:10 Preassigned 2.20, 2.60 A) &rst ixpk= 2101, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 725, 726, &end # # 65 GLY QA 65 GLY HN 3.50 (# 2102:10 Preassigned 2.44, 2.81 A) &rst ixpk= 2102, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 987, 988, &end # # 23 GLY HA3 23 GLY HN 3.50 (# 2105:10 Preassigned 2.69, 2.85 A) &rst ixpk= 2105, nxpk= 10, iat= 334, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 LYS HA 31 GLY HN 3.50 (# 2110:10 Preassigned 3.51, 3.57 A) &rst ixpk= 2110, nxpk= 10, iat= 429, 449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE HA 75 ILE HN 3.50 (# 2135:10 Preassigned 2.81, 2.88 A) &rst ixpk= 2135, nxpk= 10, iat=1127,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE HA 76 VAL HN 3.50 (# 2139:10 Preassigned 3.47, 3.52 A) &rst ixpk= 2139, nxpk= 10, iat=1127,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 PHE HB2 15 PHE HN 4.50 (# 2140:10 Preassigned 2.55, 3.08 A) &rst ixpk= 2140, nxpk= 10, iat= 215, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 77 PHE HB2 74 PHE HN 4.50 (# 2154:10 Preassigned 4.73, 5.37 A) &rst ixpk= 2154, nxpk= 10, iat=1164,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 PHE QB 44 PHE HN 3.50 (# 2155:10 Preassigned 2.13, 2.93 A) &rst ixpk= 2155, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 660, 661, &end # # 44 PHE QB 45 LEU HN 4.50 (# 2159:10 Preassigned 2.23, 3.51 A) &rst ixpk= 2159, nxpk= 10, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 660, 661, &end # # 74 PHE HB3 75 ILE HN 3.50 (# 2167:10 Preassigned 2.41, 2.80 A) &rst ixpk= 2167, nxpk= 10, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 PHE HB3 78 VAL HN 3.50 (# 2168:10 Preassigned 2.25, 2.96 A) &rst ixpk= 2168, nxpk= 10, iat=1165,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HB3 74 PHE HN 3.50 (# 2173:10 Preassigned 2.17, 2.35 A) &rst ixpk= 2173, nxpk= 10, iat=1110,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 PHE HB2 77 PHE HN 3.50 (# 2174:10 Preassigned 2.15, 2.61 A) &rst ixpk= 2174, nxpk= 10, iat=1164,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 ASP HB2 13 ASP HN 3.50 (# 2193:10 Preassigned 2.34, 2.74 A) &rst ixpk= 2193, nxpk= 10, iat= 187, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 50 ASP HB2 51 LYS HN 4.50 (# 2195:10 Preassigned 3.24, 3.92 A) &rst ixpk= 2195, nxpk= 10, iat= 756, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASP HB2 60 ASP HN 3.50 (# 2198:10 Preassigned 2.20, 2.41 A) &rst ixpk= 2198, nxpk= 10, iat= 922, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ASP HB3 60 ASP HN 3.50 (# 2205:10 Preassigned 2.27, 3.31 A) &rst ixpk= 2205, nxpk= 10, iat= 923, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 ASP HB3 11 ILE HN 4.50 (# 2207:10 Preassigned 3.91, 4.83 A) &rst ixpk= 2207, nxpk= 10, iat= 188, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 50 ASP HB2 50 ASP HN 3.50 (# 2209:10 Preassigned 2.11, 2.98 A) &rst ixpk= 2209, nxpk= 10, iat= 756, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ASP HB2 61 LEU HN 4.50 (# 2210:10 Preassigned 2.11, 3.13 A) &rst ixpk= 2210, nxpk= 10, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET QB 11 ILE HN 3.50 (# 2214:10 Preassigned 3.25, 3.90 A) &rst ixpk= 2214, nxpk= 10, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 132, 133, &end # # 15 PHE HB3 15 PHE HN 3.50 (# 2216:10 Preassigned 2.23, 2.45 A) &rst ixpk= 2216, nxpk= 10, iat= 216, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 MET QB 10 MET HN 3.50 (# 2219:10 Preassigned 1.99, 2.62 A) &rst ixpk= 2219, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 132, 133, &end # # 55 ASP HB2 51 LYS HN 4.50 (# 2234:10 Preassigned 4.28, 4.83 A) &rst ixpk= 2234, nxpk= 10, iat= 828, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HG2 6 ALA HN 4.50 (# 2240:10 Preassigned 2.37, 4.18 A) &rst ixpk= 2240, nxpk= 10, iat= 76, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 ASP HB2 55 ASP HN 3.50 (# 2246:10 Preassigned 2.24, 3.01 A) &rst ixpk= 2246, nxpk= 10, iat= 828, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 66 ASP HB3 67 ALA HN 4.50 (# 2253:10 Preassigned 1.88, 2.20 A) &rst ixpk= 2253, nxpk= 10, iat= 997,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE QB 71 PHE HN 3.50 (# 2257:10 Preassigned 2.43, 3.14 A) &rst ixpk= 2257, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1063,1064, &end # # 50 ASP HB3 50 ASP HN 3.50 (# 2259:10 Preassigned 2.48, 2.69 A) &rst ixpk= 2259, nxpk= 10, iat= 757, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 5 GLU HG2 5 GLU HN 4.50 (# 2260:10 Preassigned 2.46, 3.12 A) &rst ixpk= 2260, nxpk= 10, iat= 76, 69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HG2 6 ALA HN 4.50 (# 2271:10 Preassigned 2.37, 4.18 A) &rst ixpk= 2271, nxpk= 10, iat= 76, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HG2 5 GLU HN 4.50 (# 2275:10 Preassigned 2.46, 3.12 A) &rst ixpk= 2275, nxpk= 10, iat= 76, 69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 50 ASP HB3 51 LYS HN 4.50 (# 2276:10 Preassigned 3.62, 3.95 A) &rst ixpk= 2276, nxpk= 10, iat= 757, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET HG2 10 MET HN 3.50 (# 2279:10 Preassigned 3.79, 4.09 A) &rst ixpk= 2279, nxpk= 10, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HG2 73 GLU HN 3.50 (# 2282:10 Preassigned 2.95, 3.30 A) &rst ixpk= 2282, nxpk= 10, iat=1097,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 MET HG3 11 ILE HN 4.50 (# 2284:10 Preassigned 4.02, 4.95 A) &rst ixpk= 2284, nxpk= 10, iat= 112, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HD3 16 SER HN 4.50 (# 2285:10 Preassigned 5.13, 6.88 A) &rst ixpk= 2285, nxpk= 10, iat= 253, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 ASN HB2 64 ASN HN 3.50 (# 2294:10 Preassigned 2.03, 3.18 A) &rst ixpk= 2294, nxpk= 10, iat= 975, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 19 SER HB3 19 SER HN 4.50 (# 2301:10 Preassigned 2.09, 2.60 A) &rst ixpk= 2301, nxpk= 10, iat= 292, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HB3 16 SER HN 4.50 (# 2302:10 Preassigned 2.41, 3.36 A) &rst ixpk= 2302, nxpk= 10, iat= 216, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 18 TYR HB2 18 TYR HN 3.50 (# 2304:10 Preassigned 2.05, 2.98 A) &rst ixpk= 2304, nxpk= 10, iat= 270, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HB2 56 LYS HN 4.50 (# 2305:10 Preassigned 2.11, 2.71 A) &rst ixpk= 2305, nxpk= 10, iat= 828, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 66 ASP HB3 66 ASP HN 3.50 (# 2309:10 Preassigned 2.75, 2.95 A) &rst ixpk= 2309, nxpk= 10, iat= 997, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ASP QB 62 ASP HN 3.50 (# 2315:10 Preassigned 1.98, 2.74 A) &rst ixpk= 2315, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 953, 954, &end # # 8 MET HG2 8 MET HN 4.50 (# 2317:10 Preassigned 4.31, 4.42 A) &rst ixpk= 2317, nxpk= 10, iat= 111, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE QB 72 SER HN 4.50 (# 2323:10 Preassigned 3.29, 3.99 A) &rst ixpk= 2323, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1063,1064, &end # # 64 ASN HB3 64 ASN HN 3.50 (# 2329:10 Preassigned 1.96, 2.32 A) &rst ixpk= 2329, nxpk= 10, iat= 976, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 GLU QG 39 LYS HN 4.50 (# 2335:10 Preassigned 4.75, 5.25 A) &rst ixpk= 2335, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 571, 572, &end # # 17 ARG HB3 19 SER HN 6.00 (# 2337:10 Preassigned 5.49, 6.17 A) &rst ixpk= 2337, nxpk= 10, iat= 247, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 18 TYR HB3 18 TYR HN 3.50 (# 2338:10 Preassigned 2.15, 2.70 A) &rst ixpk= 2338, nxpk= 10, iat= 271, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 GLU QG 38 GLU HN 3.50 (# 2340:10 Preassigned 2.10, 3.27 A) &rst ixpk= 2340, nxpk= 10, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 571, 572, &end # # 40 GLU QG 39 LYS HN 4.50 (# 2342:10 Preassigned 4.16, 5.51 A) &rst ixpk= 2342, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 608, 609, &end # # 8 MET HG2 9 GLY HN 6.00 (# 2347:10 Preassigned 1.65, 3.62 A) &rst ixpk= 2347, nxpk= 10, iat= 111, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 MET HG3 9 GLY HN 6.00 (# 2348:10 Preassigned 2.51, 3.60 A) &rst ixpk= 2348, nxpk= 10, iat= 112, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 64 ASN HB3 65 GLY HN 6.00 (# 2349:10 Preassigned 3.70, 4.29 A) &rst ixpk= 2349, nxpk= 10, iat= 976, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 10 MET HG2 9 GLY HN 6.00 (# 2350:10 Preassigned 5.24, 6.36 A) &rst ixpk= 2350, nxpk= 10, iat= 135, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 3 GLU HG3 3 GLU HN 4.50 (# 2367:10 Preassigned 3.24, 3.50 A) &rst ixpk= 2367, nxpk= 10, iat= 43, 35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 VAL HB 14 VAL HN 3.50 (# 2371:10 Preassigned 2.14, 2.33 A) &rst ixpk= 2371, nxpk= 10, iat= 199, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN HG2 68 GLN HN 3.50 (# 2373:10 Preassigned 3.60, 3.92 A) &rst ixpk= 2373, nxpk= 10, iat=1021,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 GLU QG 32 GLU HN 3.50 (# 2374:10 Preassigned 2.33, 4.00 A) &rst ixpk= 2374, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 463, 464, &end # # 68 GLN HG3 67 ALA HN 4.50 (# 2375:10 Preassigned 4.47, 4.90 A) &rst ixpk= 2375, nxpk= 10, iat=1022,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET HG3 36 LEU HN 4.50 (# 2380:10 Preassigned 3.85, 4.87 A) &rst ixpk= 2380, nxpk= 10, iat= 555, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 VAL HB 15 PHE HN 3.50 (# 2383:10 Preassigned 2.86, 3.61 A) &rst ixpk= 2383, nxpk= 10, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 MET HG3 37 MET HN 3.50 (# 2389:10 Preassigned 2.87, 3.59 A) &rst ixpk= 2389, nxpk= 10, iat= 555, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 90 GLU HG3 90 GLU HN 4.50 (# 2393:10 Preassigned 3.58, 4.40 A) &rst ixpk= 2393, nxpk= 10, iat=1369,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 VAL HB 55 ASP HN 3.50 (# 2399:10 Preassigned 1.90, 3.07 A) &rst ixpk= 2399, nxpk= 10, iat= 812, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 90 GLU HG2 91 LYS HN 3.50 (# 2407:10 Preassigned 3.45, 3.67 A) &rst ixpk= 2407, nxpk= 10, iat=1368,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 VAL HB 54 VAL HN 4.50 (# 2414:10 Preassigned 2.35, 2.47 A) &rst ixpk= 2414, nxpk= 10, iat= 812, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HG3 73 GLU HN 3.50 (# 2418:10 Preassigned 1.95, 2.22 A) &rst ixpk= 2418, nxpk= 10, iat=1098,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 VAL HB 69 VAL HN 3.50 (# 2419:10 Preassigned 2.17, 2.49 A) &rst ixpk= 2419, nxpk= 10, iat=1035,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 GLU QG 22 GLU HN 3.50 (# 2420:10 Preassigned 2.13, 3.40 A) &rst ixpk= 2420, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 323, 324, &end # # 69 VAL HB 28 LEU HN 4.50 (# 2424:10 Preassigned 2.10, 2.68 A) &rst ixpk= 2424, nxpk= 10, iat=1035, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET HG3 11 ILE HN 3.50 (# 2425:10 Preassigned 2.55, 3.30 A) &rst ixpk= 2425, nxpk= 10, iat= 136, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 MET HG3 7 ALA HN 4.50 (# 2429:10 Preassigned 5.36, 5.93 A) &rst ixpk= 2429, nxpk= 10, iat= 136, 94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 ILE HB 11 ILE HN 3.50 (# 2433:10 Preassigned 2.75, 3.24 A) &rst ixpk= 2433, nxpk= 10, iat= 149, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 GLU QB 5 GLU HN 4.50 (# 2434:10 Preassigned 3.83, 4.82 A) &rst ixpk= 2434, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 39, 40, &end # # 5 GLU HB2 6 ALA HN 3.50 (# 2435:10 Preassigned 1.88, 2.90 A) &rst ixpk= 2435, nxpk= 10, iat= 73, 84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 LEU HB2 33 LEU HN 3.50 (# 2436:10 Preassigned 2.10, 2.60 A) &rst ixpk= 2436, nxpk= 10, iat= 475, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HB2 74 PHE HN 3.50 (# 2437:10 Preassigned 2.37, 2.51 A) &rst ixpk= 2437, nxpk= 10, iat=1094,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 GLU HG2 3 GLU HN 4.50 (# 2440:10 Preassigned 2.23, 2.54 A) &rst ixpk= 2440, nxpk= 10, iat= 42, 35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 GLU QB 4 LEU HN 3.50 (# 2451:10 Preassigned 3.03, 3.70 A) &rst ixpk= 2451, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 10 MET HG3 10 MET HN 3.50 (# 2457:10 Preassigned 3.57, 3.98 A) &rst ixpk= 2457, nxpk= 10, iat= 136, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 GLU HB2 22 GLU HN 3.50 (# 2468:10 Preassigned 2.79, 3.56 A) &rst ixpk= 2468, nxpk= 10, iat= 320, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HB3 63 ALA HN 3.50 (# 2478:10 Preassigned 4.58, 5.00 A) &rst ixpk= 2478, nxpk= 10, iat=1095, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 LYS HB2 34 LYS HN 3.50 (# 2481:10 Preassigned 2.44, 2.99 A) &rst ixpk= 2481, nxpk= 10, iat= 494, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 GLU QB 32 GLU HN 4.50 (# 2482:10 Preassigned 2.12, 2.72 A) &rst ixpk= 2482, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 460, 461, &end # # 73 GLU HB3 73 GLU HN 3.50 (# 2483:10 Preassigned 3.53, 3.61 A) &rst ixpk= 2483, nxpk= 10, iat=1095,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 76 VAL HB 76 VAL HN 3.50 (# 2485:10 Preassigned 2.33, 2.72 A) &rst ixpk= 2485, nxpk= 10, iat=1148,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HB3 74 PHE HN 4.50 (# 2488:10 Preassigned 3.58, 3.71 A) &rst ixpk= 2488, nxpk= 10, iat=1095,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 GLU HB2 90 GLU HN 3.50 (# 2496:10 Preassigned 2.09, 2.86 A) &rst ixpk= 2496, nxpk= 10, iat=1365,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 76 VAL HB 77 PHE HN 3.50 (# 2506:10 Preassigned 2.69, 2.84 A) &rst ixpk= 2506, nxpk= 10, iat=1148,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN QB 68 GLN HN 3.50 (# 2509:10 Preassigned 2.26, 2.95 A) &rst ixpk= 2509, nxpk= 10, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1018,1019, &end # # 30 LYS HB2 30 LYS HN 4.50 (# 2513:10 Preassigned 2.35, 2.49 A) &rst ixpk= 2513, nxpk= 10, iat= 431, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 LYS QB 51 LYS HN 3.50 (# 2521:10 Preassigned 3.15, 4.44 A) &rst ixpk= 2521, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 734, 735, &end # # 73 GLU HB3 63 ALA HN 3.50 (# 2522:10 Preassigned 4.95, 5.46 A) &rst ixpk= 2522, nxpk= 10, iat=1095, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS QB 59 LYS HN 3.50 (# 2526:10 Preassigned 2.27, 3.05 A) &rst ixpk= 2526, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 900, 901, &end # # 58 LEU HB2 58 LEU HN 3.50 (# 2528:10 Preassigned 2.29, 2.61 A) &rst ixpk= 2528, nxpk= 10, iat= 881, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 GLU HB3 22 GLU HN 3.50 (# 2532:10 Preassigned 2.09, 2.79 A) &rst ixpk= 2532, nxpk= 10, iat= 321, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 ARG HB3 17 ARG HN 3.50 (# 2536:10 Preassigned 3.19, 3.50 A) &rst ixpk= 2536, nxpk= 10, iat= 247, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS QB 60 ASP HN 3.50 (# 2541:10 Preassigned 2.44, 3.01 A) &rst ixpk= 2541, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 900, 901, &end # # 37 MET QB 41 LEU HN 3.50 (# 2561:10 Preassigned 4.31, 5.31 A) &rst ixpk= 2561, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 551, 552, &end # # 56 LYS QB 57 LEU HN 3.50 (# 2565:10 Preassigned 2.79, 3.59 A) &rst ixpk= 2565, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 840, 841, &end # # 5 GLU HB3 5 GLU HN 3.50 (# 2575:10 Preassigned 4.29, 5.58 A) &rst ixpk= 2575, nxpk= 10, iat= 74, 69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 LYS QB 54 VAL HN 4.50 (# 2576:10 Preassigned 3.68, 5.40 A) &rst ixpk= 2576, nxpk= 10, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 840, 841, &end # # 12 ILE HB 13 ASP HN 3.50 (# 2580:10 Preassigned 2.92, 3.22 A) &rst ixpk= 2580, nxpk= 10, iat= 168, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 LEU HB2 37 MET HN 3.50 (# 2585:10 Preassigned 2.21, 3.36 A) &rst ixpk= 2585, nxpk= 10, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HG 57 LEU HN 3.50 (# 2592:10 Preassigned 2.40, 3.49 A) &rst ixpk= 2592, nxpk= 10, iat= 865, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 LYS HB3 34 LYS HN 3.50 (# 2594:10 Preassigned 2.14, 2.23 A) &rst ixpk= 2594, nxpk= 10, iat= 495, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ALA QB 7 ALA HN 3.50 (# 2605:10 Preassigned 2.47, 3.14 A) &rst ixpk= 2605, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 98, 99, 100, &end # # 91 LYS HB3 89 PHE HN 3.50 (# 2607:10 Preassigned 2.70, 3.89 A) &rst ixpk= 2607, nxpk= 10, iat=1381,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HG 58 LEU HN 4.50 (# 2623:10 Preassigned 4.14, 4.47 A) &rst ixpk= 2623, nxpk= 10, iat= 865, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HB2 45 LEU HN 3.50 (# 2624:10 Preassigned 2.33, 2.47 A) &rst ixpk= 2624, nxpk= 10, iat= 680, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 46 GLN QG 46 GLN HN 3.50 (# 2627:10 Preassigned 2.05, 3.22 A) &rst ixpk= 2627, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 702, 703, &end # # 38 GLU QG 38 GLU HN 3.50 (# 2632:10 Preassigned 2.10, 3.27 A) &rst ixpk= 2632, nxpk= 10, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 571, 572, &end # # 18 TYR HB3 19 SER HN 4.50 (# 2639:10 Preassigned 2.60, 3.07 A) &rst ixpk= 2639, nxpk= 10, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU QG 29 THR HN 4.50 (# 2646:10 Preassigned 2.13, 4.11 A) &rst ixpk= 2646, nxpk= 10, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 463, 464, &end # # 26 GLN QG 27 THR HN 4.50 (# 2654:10 Preassigned 3.12, 4.73 A) &rst ixpk= 2654, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 370, 371, &end # # 1 MET QB 2 THR HN 4.50 (# 2661:10 Preassigned 3.74, 4.51 A) &rst ixpk= 2661, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 8, 9, &end # # 68 GLN HG3 29 THR HN 4.50 (# 2664:10 Preassigned 4.54, 5.25 A) &rst ixpk= 2664, nxpk= 10, iat=1022, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 GLN HB2 27 THR HN 4.50 (# 2668:10 Preassigned 3.78, 4.15 A) &rst ixpk= 2668, nxpk= 10, iat= 367, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HB2 43 GLY HN 4.50 (# 2672:10 Preassigned 3.46, 4.05 A) &rst ixpk= 2672, nxpk= 10, iat= 642, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 8 MET HB2 8 MET HN 3.50 (# 2674:10 Preassigned 2.27, 2.37 A) &rst ixpk= 2674, nxpk= 10, iat= 108, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 46 GLN QB 47 SER HN 3.50 (# 2675:10 Preassigned 3.10, 3.65 A) &rst ixpk= 2675, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 699, 700, &end # # 46 GLN QB 46 GLN HN 3.50 (# 2678:10 Preassigned 2.91, 3.54 A) &rst ixpk= 2678, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 699, 700, &end # # 38 GLU HB2 40 GLU HN 4.50 (# 2680:10 Preassigned 4.36, 5.64 A) &rst ixpk= 2680, nxpk= 10, iat= 568, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO QG 43 GLY HN 4.50 (# 2685:10 Preassigned 4.20, 5.00 A) &rst ixpk= 2685, nxpk= 10, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 639, 640, &end # # 26 GLN HB3 27 THR HN 4.50 (# 2686:10 Preassigned 3.45, 4.20 A) &rst ixpk= 2686, nxpk= 10, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 GLU HB2 38 GLU HN 3.50 (# 2689:10 Preassigned 2.23, 2.63 A) &rst ixpk= 2689, nxpk= 10, iat= 568, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 MET HB3 8 MET HN 3.50 (# 2694:10 Preassigned 2.36, 2.58 A) &rst ixpk= 2694, nxpk= 10, iat= 109, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS QB 40 GLU HN 3.50 (# 2697:10 Preassigned 2.01, 3.70 A) &rst ixpk= 2697, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 583, 584, &end # # 39 LYS QB 39 LYS HN 3.50 (# 2702:10 Preassigned 2.52, 3.50 A) &rst ixpk= 2702, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 583, 584, &end # # 32 GLU QB 29 THR HN 6.00 (# 2706:10 Preassigned 2.39, 3.66 A) &rst ixpk= 2706, nxpk= 10, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 460, 461, &end # # 38 GLU HB3 39 LYS HN 3.50 (# 2712:10 Preassigned 3.83, 4.24 A) &rst ixpk= 2712, nxpk= 10, iat= 569, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HB 82 THR HN 3.50 (# 2721:10 Preassigned 2.45, 2.85 A) &rst ixpk= 2721, nxpk= 10, iat=1220,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HB2 62 ASP HN 3.50 (# 2733:10 Preassigned 3.05, 3.53 A) &rst ixpk= 2733, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 LYS QB 56 LYS HN 3.50 (# 2735:10 Preassigned 2.15, 3.04 A) &rst ixpk= 2735, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 840, 841, &end # # 42 PRO HB3 43 GLY HN 4.50 (# 2739:10 Preassigned 2.62, 3.39 A) &rst ixpk= 2739, nxpk= 10, iat= 643, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 LEU HB2 62 ASP HN 3.50 (# 2742:10 Preassigned 3.05, 3.53 A) &rst ixpk= 2742, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 LEU HB2 46 GLN HN 3.50 (# 2745:10 Preassigned 1.89, 2.42 A) &rst ixpk= 2745, nxpk= 10, iat= 680, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ALA QB 8 MET HN 3.50 (# 2749:10 Preassigned 2.23, 3.37 A) &rst ixpk= 2749, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 98, 99, 100, &end # # 38 GLU HB2 39 LYS HN 3.50 (# 2751:10 Preassigned 2.89, 4.89 A) &rst ixpk= 2751, nxpk= 10, iat= 568, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 MET HB2 9 GLY HN 6.00 (# 2756:10 Preassigned 2.73, 3.66 A) &rst ixpk= 2756, nxpk= 10, iat= 108, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HB2 9 GLY HN 4.50 (# 2757:10 Preassigned 4.36, 5.18 A) &rst ixpk= 2757, nxpk= 10, iat= 73, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 GLU QG 23 GLY HN 4.50 (# 2759:10 Preassigned 3.63, 4.48 A) &rst ixpk= 2759, nxpk= 10, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 323, 324, &end # # 22 GLU HB2 23 GLY HN 4.50 (# 2765:10 Preassigned 2.81, 4.08 A) &rst ixpk= 2765, nxpk= 10, iat= 320, 331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 GLU HB3 23 GLY HN 6.00 (# 2766:10 Preassigned 3.87, 5.00 A) &rst ixpk= 2766, nxpk= 10, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 ALA QB 9 GLY HN 6.00 (# 2768:10 Preassigned 5.02, 6.26 A) &rst ixpk= 2768, nxpk= 10, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 98, 99, 100, &end # # 95 LYS HB2 95 LYS HN 4.50 (# 2771:10 Preassigned 2.84, 3.37 A) &rst ixpk= 2771, nxpk= 10, iat=1442,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 95 LYS HG3 95 LYS HN 4.50 (# 2775:10 Preassigned 2.12, 3.87 A) &rst ixpk= 2775, nxpk= 10, iat=1446,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 LYS QD 34 LYS HN 3.50 (# 2789:10 Preassigned 2.95, 4.09 A) &rst ixpk= 2789, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 500, 501, &end # # 78 VAL HB 78 VAL HN 3.50 (# 2793:10 Preassigned 1.97, 2.12 A) &rst ixpk= 2793, nxpk= 10, iat=1184,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HB2 58 LEU HN 3.50 (# 2801:10 Preassigned 1.93, 3.08 A) &rst ixpk= 2801, nxpk= 10, iat= 862, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS QB 59 LYS HN 3.50 (# 2815:10 Unique 2.27, 3.05 A) &rst ixpk= 2815, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 900, 901, &end # # 94 LEU QB 94 LEU HN 3.50 (# 2819:10 Preassigned 2.23, 3.13 A) &rst ixpk= 2819, nxpk= 10, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1423,1424, &end # # 59 LYS HG2 60 ASP HN 4.50 (# 2823:10 Preassigned 4.62, 4.78 A) &rst ixpk= 2823, nxpk= 10, iat= 903, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 ALA QB 6 ALA HN 3.50 (# 2838:10 Preassigned 2.40, 2.95 A) &rst ixpk= 2838, nxpk= 10, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 88, 89, 90, &end # # 56 LYS QD 57 LEU HN 4.50 (# 2844:10 Preassigned 4.29, 4.69 A) &rst ixpk= 2844, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 846, 847, &end # # 91 LYS QG 90 GLU HN 6.00 (# 2848:10 Preassigned 4.39, 6.40 A) &rst ixpk= 2848, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1383,1384, &end # # 6 ALA QB 7 ALA HN 3.50 (# 2849:10 Preassigned 3.46, 4.18 A) &rst ixpk= 2849, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 88, 89, 90, &end # # 30 LYS QG 30 LYS HN 4.50 (# 2854:10 Preassigned 4.31, 4.48 A) &rst ixpk= 2854, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 434, 435, &end # # 45 LEU HB3 45 LEU HN 3.50 (# 2863:10 Preassigned 3.49, 3.55 A) &rst ixpk= 2863, nxpk= 10, iat= 681, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 LEU HB2 30 LYS HN 4.50 (# 2869:10 Preassigned 5.74, 6.03 A) &rst ixpk= 2869, nxpk= 10, iat= 398, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS HG3 37 MET HN 4.50 (# 2878:10 Preassigned 2.66, 3.76 A) &rst ixpk= 2878, nxpk= 10, iat= 587, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 LEU HB3 59 LYS HN 3.50 (# 2879:10 Preassigned 2.20, 2.54 A) &rst ixpk= 2879, nxpk= 10, iat= 882, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 67 ALA QB 67 ALA HN 3.50 (# 2885:10 Preassigned 2.62, 3.52 A) &rst ixpk= 2885, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1008,1009,1010, &end # # 30 LYS QG 30 LYS HN 4.50 (# 2889:10 Preassigned 4.31, 4.48 A) &rst ixpk= 2889, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 434, 435, &end # # 67 ALA QB 68 GLN HN 3.50 (# 2897:10 Preassigned 2.53, 3.71 A) &rst ixpk= 2897, nxpk= 10, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1008,1009,1010, &end # # 49 LYS QG 51 LYS HN 3.50 (# 2906:10 Preassigned 2.34, 3.86 A) &rst ixpk= 2906, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 737, 738, &end # # 17 ARG HG3 17 ARG HN 3.50 (# 2908:10 Preassigned 2.12, 2.62 A) &rst ixpk= 2908, nxpk= 10, iat= 250, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 LEU HG 44 PHE HN 3.50 (# 2909:10 Preassigned 2.78, 4.23 A) &rst ixpk= 2909, nxpk= 10, iat= 683, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS HG3 60 ASP HN 4.50 (# 2912:10 Preassigned 4.52, 4.67 A) &rst ixpk= 2912, nxpk= 10, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 28 LEU HB3 28 LEU HN 4.50 (# 2915:10 Preassigned 3.72, 3.83 A) &rst ixpk= 2915, nxpk= 10, iat= 399, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 LEU HB3 61 LEU HN 3.50 (# 2919:10 Preassigned 3.18, 3.42 A) &rst ixpk= 2919, nxpk= 10, iat= 935, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 ALA QB 80 ALA HN 3.50 (# 2925:10 Preassigned 2.52, 2.97 A) &rst ixpk= 2925, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1210,1211,1212, &end # # 91 LYS QG 89 PHE HN 3.50 (# 2927:10 Preassigned 3.06, 4.76 A) &rst ixpk= 2927, nxpk= 10, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1383,1384, &end # # 91 LYS QG 91 LYS HN 3.50 (# 2930:10 Preassigned 2.50, 4.11 A) &rst ixpk= 2930, nxpk= 10, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1383,1384, &end # # 45 LEU HG 41 LEU HN 6.00 (# 2933:10 Preassigned 5.83, 6.26 A) &rst ixpk= 2933, nxpk= 10, iat= 683, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 LEU HB3 58 LEU HN 3.50 (# 2937:10 Preassigned 2.19, 2.83 A) &rst ixpk= 2937, nxpk= 10, iat= 882, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE HB 75 ILE HN 3.50 (# 2952:10 Preassigned 2.15, 2.33 A) &rst ixpk= 2952, nxpk= 10, iat=1129,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 LEU HB3 33 LEU HN 3.50 (# 2959:10 Preassigned 2.05, 2.32 A) &rst ixpk= 2959, nxpk= 10, iat= 476, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 THR QG 3 GLU HN 4.50 (# 2966:10 Preassigned 2.82, 4.41 A) &rst ixpk= 2966, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 27, 28, 29, &end # # 80 ALA QB 81 ILE HN 3.50 (# 2970:10 Preassigned 2.47, 3.50 A) &rst ixpk= 2970, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1210,1211,1212, &end # # 63 ALA QB 63 ALA HN 3.50 (# 3015:10 Preassigned 2.33, 3.05 A) &rst ixpk= 3015, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 965, 966, 967, &end # # 29 THR QG 30 LYS HN 4.50 (# 3025:10 Preassigned 3.22, 4.21 A) &rst ixpk= 3025, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 419, 420, 421, &end # # 25 THR QG 26 GLN HN 4.50 (# 3026:10 Preassigned 2.02, 3.92 A) &rst ixpk= 3026, nxpk= 10, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 355, 356, 357, &end # # 14 VAL QQG 17 ARG HN 4.50 (# 3027:10 Preassigned 4.02, 5.77 A) &rst ixpk= 3027, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 201, 202, 203, 205, 206, 207, &end # # 14 VAL QQG 13 ASP HN 4.50 (# 3036:10 Preassigned 4.25, 6.52 A) &rst ixpk= 3036, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 201, 202, 203, 205, 206, 207, &end # # 14 VAL QQG 15 PHE HN 3.50 (# 3042:10 Preassigned 2.51, 4.67 A) &rst ixpk= 3042, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 201, 202, 203, 205, 206, 207, &end # # 11 ILE QG1 11 ILE HN 3.50 (# 3063:10 Preassigned 2.04, 2.95 A) &rst ixpk= 3063, nxpk= 10, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 155, 156, &end # # 36 LEU HB3 37 MET HN 4.50 (# 3064:10 Preassigned 2.22, 2.67 A) &rst ixpk= 3064, nxpk= 10, iat= 533, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LEU QD1 30 LYS HN 4.50 (# 3069:10 Double Ambig) &rst ixpk= 3069, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 480, 481, 482, &end # # 27 THR QG 26 GLN HN 4.50 (# 3070:10 Preassigned 2.80, 5.76 A) &rst ixpk= 3070, nxpk= 10, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 69 VAL QG1 28 LEU HN 4.50 (# 3094:10 Preassigned 3.45, 4.41 A) &rst ixpk= 3094, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1037,1038,1039, &end # # 92 THR QG 89 PHE HN 3.50 (# 3100:10 Preassigned 3.65, 5.04 A) &rst ixpk= 3100, nxpk= 10, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1404,1405,1406, &end # # 69 VAL QG1 69 VAL HN 4.50 (# 3101:10 Preassigned 4.20, 4.46 A) &rst ixpk= 3101, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1037,1038,1039, &end # # 27 THR QG 28 LEU HN 3.50 (# 3104:10 Preassigned 4.03, 4.65 A) &rst ixpk= 3104, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 386, 387, 388, &end # # 69 VAL QG1 71 PHE HN 4.50 (# 3109:10 Preassigned 4.57, 6.12 A) &rst ixpk= 3109, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1037,1038,1039, &end # # 27 THR QG 68 GLN HN 4.50 (# 3117:10 Double Ambig) &rst ixpk= 3117, nxpk= 10, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 69 VAL QG1 73 GLU HN 4.50 (# 3135:10 Preassigned 3.90, 4.64 A) &rst ixpk= 3135, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1037,1038,1039, &end # # 45 LEU HB3 46 GLN HN 3.50 (# 3146:10 Preassigned 1.96, 3.01 A) &rst ixpk= 3146, nxpk= 10, iat= 681, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HG2 38 GLU HN 4.50 (# 3149:10 Double Ambig) &rst ixpk= 3149, nxpk= 10, iat= 586, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LYS QD 56 LYS HN 3.50 (# 3152:10 Preassigned 3.53, 4.53 A) &rst ixpk= 3152, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 846, 847, &end # # 40 GLU QB 40 GLU HN 4.50 (# 3155:10 Preassigned 2.60, 3.37 A) &rst ixpk= 3155, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 605, 606, &end # # 28 LEU HB3 29 THR HN 4.50 (# 3170:10 Preassigned 3.46, 3.53 A) &rst ixpk= 3170, nxpk= 10, iat= 399, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LYS HG2 56 LYS HN 3.50 (# 3173:10 Preassigned 2.40, 2.95 A) &rst ixpk= 3173, nxpk= 10, iat= 843, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HG3 38 GLU HN 4.50 (# 3176:10 Preassigned 2.68, 4.20 A) &rst ixpk= 3176, nxpk= 10, iat= 587, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 LEU HB3 62 ASP HN 4.50 (# 3180:10 Preassigned 3.95, 4.21 A) &rst ixpk= 3180, nxpk= 10, iat= 935, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 ALA QB 64 ASN HN 3.50 (# 3191:10 Preassigned 2.51, 3.71 A) &rst ixpk= 3191, nxpk= 10, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 965, 966, 967, &end # # 53 ALA QB 54 VAL HN 4.50 (# 3202:10 Preassigned 3.28, 4.14 A) &rst ixpk= 3202, nxpk= 10, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 802, 803, 804, &end # # 2 THR QG 2 THR HN 6.00 (# 3203:10 Preassigned 2.08, 3.53 A) &rst ixpk= 3203, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 27, 28, 29, &end # # 84 ALA QB 85 SER HN 4.50 (# 3215:10 Preassigned 2.21, 3.64 A) &rst ixpk= 3215, nxpk= 10, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1264,1265,1266, &end # # 81 ILE HG2 82 THR HN 4.50 (# 3216:10 Preassigned 3.96, 4.36 A) &rst ixpk= 3216, nxpk= 10, iat=1226,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HG3 82 THR HN 6.00 (# 3222:10 Preassigned 4.71, 5.01 A) &rst ixpk= 3222, nxpk= 10, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 25 THR QG 25 THR HN 3.50 (# 3236:10 Preassigned 2.97, 4.40 A) &rst ixpk= 3236, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 355, 356, 357, &end # # 29 THR QG 29 THR HN 3.50 (# 3238:10 Preassigned 2.21, 3.13 A) &rst ixpk= 3238, nxpk= 10, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 419, 420, 421, &end # # 27 THR QG 25 THR HN 4.50 (# 3247:10 Preassigned 4.15, 5.85 A) &rst ixpk= 3247, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 27 THR QG 27 THR HN 4.50 (# 3256:10 Preassigned 2.22, 3.21 A) &rst ixpk= 3256, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 27 THR QG 29 THR HN 4.50 (# 3262:10 Double Ambig) &rst ixpk= 3262, nxpk= 10, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 5 GLU HB3 9 GLY HN 6.00 (# 3265:10 Preassigned 3.13, 4.50 A) &rst ixpk= 3265, nxpk= 10, iat= 74, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 63 ALA QB 65 GLY HN 6.00 (# 3266:10 Preassigned 5.13, 5.81 A) &rst ixpk= 3266, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 965, 966, 967, &end # # 58 LEU QD1 30 LYS HN 4.50 (# 3287:10 Preassigned 4.90, 6.55 A) &rst ixpk= 3287, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 886, 887, 888, &end # # 45 LEU QQD 45 LEU HN 3.50 (# 3316:10 Preassigned 3.16, 4.49 A) &rst ixpk= 3316, nxpk= 10, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 54 VAL QG2 54 VAL HN 3.50 (# 3320:10 Preassigned 2.27, 3.34 A) &rst ixpk= 3320, nxpk= 10, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 818, 819, 820, &end # # 58 LEU QD1 58 LEU HN 3.50 (# 3332:10 Preassigned 3.76, 4.78 A) &rst ixpk= 3332, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 886, 887, 888, &end # # 69 VAL QG2 28 LEU HN 4.50 (# 3339:10 Preassigned 4.28, 5.09 A) &rst ixpk= 3339, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 11 ILE QD 11 ILE HN 3.50 (# 3340:10 Preassigned 1.66, 3.16 A) &rst ixpk= 3340, nxpk= 10, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 158, 159, 160, &end # # 58 LEU QD2 59 LYS HN 3.50 (# 3343:10 Preassigned 3.03, 4.72 A) &rst ixpk= 3343, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 890, 891, 892, &end # # 58 LEU QD1 59 LYS HN 4.50 (# 3344:10 Preassigned 5.15, 5.79 A) &rst ixpk= 3344, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 886, 887, 888, &end # # 58 LEU QD2 30 LYS HN 4.50 (# 3351:10 Preassigned 4.90, 6.55 A) &rst ixpk= 3351, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 890, 891, 892, &end # # 69 VAL QG2 69 VAL HN 3.50 (# 3354:10 Preassigned 1.98, 3.07 A) &rst ixpk= 3354, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1041,1042,1043, &end # # 11 ILE QD 10 MET HN 4.50 (# 3371:10 Preassigned 2.36, 4.83 A) &rst ixpk= 3371, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 158, 159, 160, &end # # 75 ILE QG1 75 ILE HN 4.50 (# 3384:10 Preassigned 4.09, 4.51 A) &rst ixpk= 3384, nxpk= 10, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1135,1136, &end # # 69 VAL QG2 73 GLU HN 6.00 (# 3390:10 Preassigned 5.62, 6.73 A) &rst ixpk= 3390, nxpk= 10, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1041,1042,1043, &end # # 45 LEU QQD 37 MET HN 4.50 (# 3397:10 Double Ambig) &rst ixpk= 3397, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 685, 686, 687, 689, 690, 691, &end # # 57 LEU QQD 58 LEU HN 3.50 (# 3404:10 Preassigned 1.92, 5.12 A) &rst ixpk= 3404, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 867, 868, 869, 871, 872, 873, &end # # 78 VAL QG1 78 VAL HN 3.50 (# 3406:10 Preassigned 3.75, 4.35 A) &rst ixpk= 3406, nxpk= 10, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1186,1187,1188, &end # # 82 THR QG 83 SER HN 4.50 (# 3408:10 Preassigned 2.54, 4.13 A) &rst ixpk= 3408, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1241,1242,1243, &end # # 82 THR QG 81 ILE HN 3.50 (# 3409:10 Double Ambig) &rst ixpk= 3409, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1241,1242,1243, &end # # 82 THR QG 80 ALA HN 3.50 (# 3414:10 Double Ambig) &rst ixpk= 3414, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1241,1242,1243, &end # # 45 LEU QQD 44 PHE HN 3.50 (# 3418:10 Preassigned 4.13, 6.58 A) &rst ixpk= 3418, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 57 LEU QQD 60 ASP HN 4.50 (# 3419:10 Preassigned 4.97, 6.85 A) &rst ixpk= 3419, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 867, 868, 869, 871, 872, 873, &end # # 57 LEU QQD 57 LEU HN 3.50 (# 3437:10 Preassigned 2.19, 4.53 A) &rst ixpk= 3437, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 867, 868, 869, 871, 872, 873, &end # # 54 VAL QG1 57 LEU HN 4.50 (# 3438:10 Double Ambig) &rst ixpk= 3438, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 814, 815, 816, &end # # 76 VAL QG2 77 PHE HN 3.50 (# 3439:10 Preassigned 3.75, 4.69 A) &rst ixpk= 3439, nxpk= 10, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1154,1155,1156, &end # # 12 ILE QG2 13 ASP HN 3.50 (# 3461:10 Preassigned 3.12, 4.27 A) &rst ixpk= 3461, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 170, 171, 172, &end # # 76 VAL QG2 77 PHE HN 3.50 (# 3480:10 Preassigned 3.75, 4.69 A) &rst ixpk= 3480, nxpk= 10, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1154,1155,1156, &end # # 69 VAL QG2 61 LEU HN 4.50 (# 3499:10 Double Ambig) &rst ixpk= 3499, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 61 LEU QD1 61 LEU HN 3.50 (# 3514:10 Preassigned 4.19, 4.82 A) &rst ixpk= 3514, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 939, 940, 941, &end # # 36 LEU QD1 37 MET HN 4.50 (# 3537:10 Double Ambig) &rst ixpk= 3537, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 537, 538, 539, &end # # 28 LEU QQD 28 LEU HN 4.50 (# 3554:10 Preassigned 2.42, 4.33 A) &rst ixpk= 3554, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 61 LEU QD2 61 LEU HN 3.50 (# 3579:10 Preassigned 2.05, 3.14 A) &rst ixpk= 3579, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 943, 944, 945, &end # # 75 ILE QG2 75 ILE HN 3.50 (# 3595:10 Preassigned 2.17, 3.44 A) &rst ixpk= 3595, nxpk= 10, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1131,1132,1133, &end # # 78 VAL QG2 78 VAL HN 3.50 (# 3649:10 Preassigned 2.13, 3.42 A) &rst ixpk= 3649, nxpk= 10, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1190,1191,1192, &end # # 45 LEU QQD 38 GLU HN 4.50 (# 3720:10 Double Ambig) &rst ixpk= 3720, nxpk= 10, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 685, 686, 687, 689, 690, 691, &end # # 57 LEU QQD 56 LYS HN 4.50 (# 3722:10 Double Ambig) &rst ixpk= 3722, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 867, 868, 869, 871, 872, 873, &end # # 45 LEU QQD 38 GLU HN 4.50 (# 3730:10 Double Ambig) &rst ixpk= 3730, nxpk= 10, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 685, 686, 687, 689, 690, 691, &end # # 82 THR QG 82 THR HN 3.50 (# 3733:10 Preassigned 1.99, 3.06 A) &rst ixpk= 3733, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1241,1242,1243, &end # # 61 LEU QD1 62 ASP HN 4.50 (# 3743:10 Preassigned 3.02, 4.88 A) &rst ixpk= 3743, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 939, 940, 941, &end # # 36 LEU HG 40 GLU HN 4.50 (# 3747:10 Preassigned 3.73, 4.66 A) &rst ixpk= 3747, nxpk= 10, iat= 535, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 36 LEU QD1 16 SER HN 6.00 (# 3750:10 Preassigned 3.73, 6.32 A) &rst ixpk= 3750, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 537, 538, 539, &end # # 28 LEU QQD 19 SER HN 4.50 (# 3765:10 Preassigned 2.28, 5.03 A) &rst ixpk= 3765, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 28 LEU QQD 29 THR HN 4.50 (# 3781:10 Preassigned 3.90, 5.74 A) &rst ixpk= 3781, nxpk= 10, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 36 LEU QD2 19 SER HN 4.50 (# 3783:10 Preassigned 4.90, 6.33 A) &rst ixpk= 3783, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 541, 542, 543, &end # # 28 LEU QQD 29 THR HN 4.50 (# 3792:10 Preassigned 3.90, 5.74 A) &rst ixpk= 3792, nxpk= 10, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 29 THR HB 30 LYS HN 3.50 (# 3894:10 Preassigned 3.72, 3.83 A) &rst ixpk= 3894, nxpk= 10, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 LYS HA 30 LYS HN 4.50 (# 3895:10 Preassigned 2.74, 2.77 A) &rst ixpk= 3895, nxpk= 10, iat= 429, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 92 THR HA 95 LYS HN 3.50 (# 3896:10 Preassigned 3.33, 3.84 A) &rst ixpk= 3896, nxpk= 10, iat=1400,1438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 GLU HA 32 GLU HN 4.50 (# 3897:10 Preassigned 2.90, 2.95 A) &rst ixpk= 3897, nxpk= 10, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LEU HA 32 GLU HN 4.50 (# 3898:10 Preassigned 4.87, 4.99 A) &rst ixpk= 3898, nxpk= 10, iat= 473, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 GLY QA 32 GLU HN 3.50 (# 3899:10 Preassigned 2.92, 3.27 A) &rst ixpk= 3899, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 451, 452, &end # # 66 ASP HB2 67 ALA HN 4.50 (# 3901:10 Preassigned 3.33, 3.46 A) &rst ixpk= 3901, nxpk= 10, iat= 996,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET HN 9 GLY HN 4.50 (# 3903:10 Preassigned 2.20, 2.87 A) &rst ixpk= 3903, nxpk= 10, iat= 128, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 GLY HA3 9 GLY HN 3.50 (# 3904:10 Preassigned 2.08, 2.40 A) &rst ixpk= 3904, nxpk= 10, iat= 124, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 GLY HA2 9 GLY HN 3.50 (# 3905:10 Preassigned 2.33, 2.74 A) &rst ixpk= 3905, nxpk= 10, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 MET HB3 9 GLY HN 4.50 (# 3906:10 Preassigned 2.07, 2.88 A) &rst ixpk= 3906, nxpk= 10, iat= 109, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 43 GLY QA 43 GLY HN 3.50 (# 3909:10 Preassigned 2.24, 2.59 A) &rst ixpk= 3909, nxpk= 10, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 651, 652, &end # # 80 ALA HN 79 ALA HN 4.50 (# 3919:10 Preassigned 2.82, 2.90 A) &rst ixpk= 3919, nxpk= 10, iat=1206,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 VAL HN 79 ALA HN 4.50 (# 3920:10 Preassigned 2.76, 2.92 A) &rst ixpk= 3920, nxpk= 10, iat=1180,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 VAL QG1 79 ALA HN 3.50 (# 3921:10 Preassigned 2.69, 3.89 A) &rst ixpk= 3921, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1186,1187,1188, &end # # 78 VAL QG2 79 ALA HN 3.50 (# 3924:10 Preassigned 4.48, 5.05 A) &rst ixpk= 3924, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1190,1191,1192, &end # # 79 ALA QB 79 ALA HN 3.50 (# 3925:10 Preassigned 2.31, 2.83 A) &rst ixpk= 3925, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1200,1201,1202, &end # # 75 ILE HA 79 ALA HN 4.50 (# 3926:10 Preassigned 3.67, 3.87 A) &rst ixpk= 3926, nxpk= 10, iat=1127,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA HA 79 ALA HN 4.50 (# 3928:10 Preassigned 2.79, 2.84 A) &rst ixpk= 3928, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 VAL HB 79 ALA HN 3.50 (# 3929:10 Preassigned 2.69, 2.98 A) &rst ixpk= 3929, nxpk= 10, iat=1184,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 70 ASP HA 70 ASP HN 4.50 (# 3933:10 Preassigned 2.91, 2.93 A) &rst ixpk= 3933, nxpk= 10, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 VAL HA 70 ASP HN 3.50 (# 3934:10 Preassigned 2.24, 2.29 A) &rst ixpk= 3934, nxpk= 10, iat=1033,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HG3 70 ASP HN 3.50 (# 3935:10 Preassigned 2.28, 2.69 A) &rst ixpk= 3935, nxpk= 10, iat=1098,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 VAL QG1 70 ASP HN 3.50 (# 3936:10 Preassigned 3.88, 4.51 A) &rst ixpk= 3936, nxpk= 10, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1037,1038,1039, &end # # 70 ASP HB2 70 ASP HN 4.50 (# 3937:10 Preassigned 2.27, 2.52 A) &rst ixpk= 3937, nxpk= 10, iat=1051,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 VAL QG2 70 ASP HN 4.50 (# 3939:10 Preassigned 4.56, 5.29 A) &rst ixpk= 3939, nxpk= 10, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 28 LEU HN 69 VAL HN 4.50 (# 3943:10 Preassigned 2.99, 3.49 A) &rst ixpk= 3943, nxpk= 10, iat= 394,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN HN 69 VAL HN 6.00 (# 3944:10 Preassigned 3.24, 3.85 A) &rst ixpk= 3944, nxpk= 10, iat=1014,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 GLN HA 69 VAL HN 3.50 (# 3945:10 Preassigned 2.01, 2.19 A) &rst ixpk= 3945, nxpk= 10, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 LEU HB3 69 VAL HN 6.00 (# 3946:10 Preassigned 4.87, 5.67 A) &rst ixpk= 3946, nxpk= 10, iat= 399,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 70 ASP HN 69 VAL HN 6.00 (# 3947:10 Preassigned 4.08, 4.25 A) &rst ixpk= 3947, nxpk= 10, iat=1047,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 GLN HG3 69 VAL HN 4.50 (# 3948:10 Preassigned 4.99, 5.15 A) &rst ixpk= 3948, nxpk= 10, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 ASN HB2 65 GLY HN 6.00 (# 3950:10 Preassigned 3.03, 4.18 A) &rst ixpk= 3950, nxpk= 10, iat= 975, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 VAL QG1 76 VAL HN 3.50 (# 3955:10 Preassigned 4.19, 4.57 A) &rst ixpk= 3955, nxpk= 10, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1150,1151,1152, &end # # 76 VAL QG2 76 VAL HN 3.50 (# 3956:10 Preassigned 2.12, 3.07 A) &rst ixpk= 3956, nxpk= 10, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1154,1155,1156, &end # # 75 ILE HB 76 VAL HN 4.50 (# 3958:10 Preassigned 3.77, 3.93 A) &rst ixpk= 3958, nxpk= 10, iat=1129,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ALA QB 84 ALA HN 3.50 (# 3959:10 Preassigned 2.40, 2.93 A) &rst ixpk= 3959, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1264,1265,1266, &end # # 90 GLU HN 89 PHE HN 4.50 (# 3960:10 Preassigned 2.59, 3.70 A) &rst ixpk= 3960, nxpk= 10, iat=1361,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 92 THR HN 89 PHE HN 4.50 (# 3961:10 Preassigned 3.48, 4.54 A) &rst ixpk= 3961, nxpk= 10, iat=1398,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 ALA HA 11 ILE HN 4.50 (# 3963:10 Preassigned 3.88, 4.47 A) &rst ixpk= 3963, nxpk= 10, iat= 96, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 GLU QB 3 GLU HN 3.50 (# 3966:10 Preassigned 2.38, 3.06 A) &rst ixpk= 3966, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 58 LEU HN 57 LEU HN 3.50 (# 3967:10 Preassigned 2.13, 2.65 A) &rst ixpk= 3967, nxpk= 10, iat= 877, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HA 40 GLU HN 6.00 (# 3970:10 Preassigned 1.87, 2.93 A) &rst ixpk= 3970, nxpk= 10, iat= 581, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 VAL QG2 54 VAL HN 3.50 (# 3971:10 Preassigned 2.27, 3.34 A) &rst ixpk= 3971, nxpk= 10, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 818, 819, 820, &end # # 54 VAL HA 54 VAL HN 4.50 (# 3972:10 Preassigned 2.82, 2.92 A) &rst ixpk= 3972, nxpk= 10, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ALA HN 83 SER HN 4.50 (# 3974:10 Preassigned 2.29, 2.56 A) &rst ixpk= 3974, nxpk= 10, iat=1260,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HA 83 SER HN 4.50 (# 3975:10 Preassigned 3.82, 4.02 A) &rst ixpk= 3975, nxpk= 10, iat=1218,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 VAL QG1 74 PHE HN 3.50 (# 3976:10 Preassigned 2.06, 2.98 A) &rst ixpk= 3976, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1037,1038,1039, &end # # 75 ILE QG2 74 PHE HN 4.50 (# 3977:10 Preassigned 4.76, 5.95 A) &rst ixpk= 3977, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1131,1132,1133, &end # # 78 VAL QG2 74 PHE HN 4.50 (# 3978:10 Preassigned 4.15, 6.57 A) &rst ixpk= 3978, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1190,1191,1192, &end # # 69 VAL QG2 74 PHE HN 4.50 (# 3979:10 Preassigned 4.23, 5.39 A) &rst ixpk= 3979, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 34 LYS HN 33 LEU HN 6.00 (# 3980:10 Preassigned 2.52, 2.89 A) &rst ixpk= 3980, nxpk= 10, iat= 490, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 LEU QD2 33 LEU HN 4.50 (# 3981:10 Preassigned 3.93, 4.85 A) &rst ixpk= 3981, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 484, 485, 486, &end # # 8 MET HN 7 ALA HN 4.50 (# 3982:10 Preassigned 2.15, 2.35 A) &rst ixpk= 3982, nxpk= 10, iat= 104, 94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 ILE QD 7 ALA HN 4.50 (# 3983:10 Preassigned 5.06, 6.06 A) &rst ixpk= 3983, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 158, 159, 160, &end # # 37 MET HG2 37 MET HN 4.50 (# 3985:10 Preassigned 1.88, 2.61 A) &rst ixpk= 3985, nxpk= 10, iat= 554, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET QB 37 MET HN 3.50 (# 3986:10 Preassigned 2.44, 3.52 A) &rst ixpk= 3986, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 551, 552, &end # # 39 LYS QB 37 MET HN 3.50 (# 3987:10) &rst ixpk= 3987, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 583, 584, &end # # 36 LEU QD2 37 MET HN 4.50 (# 3988:10 Preassigned 3.66, 5.11 A) &rst ixpk= 3988, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 541, 542, 543, &end # # 12 ILE HB 12 ILE HN 3.50 (# 3991:10 Preassigned 2.08, 2.17 A) &rst ixpk= 3991, nxpk= 10, iat= 168, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 19 SER HN 18 TYR HN 3.50 (# 3994:10 Preassigned 2.27, 3.40 A) &rst ixpk= 3994, nxpk= 10, iat= 287, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 TYR HA 18 TYR HN 3.50 (# 3996:10 Preassigned 2.48, 2.70 A) &rst ixpk= 3996, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 ARG HB2 18 TYR HN 3.50 (# 3997:10 Preassigned 2.07, 2.91 A) &rst ixpk= 3997, nxpk= 10, iat= 246, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 ARG HG3 18 TYR HN 3.50 (# 3998:10 Preassigned 3.69, 4.36 A) &rst ixpk= 3998, nxpk= 10, iat= 250, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 LEU QD2 34 LYS HN 3.50 (# 4001:10 Preassigned 2.42, 3.81 A) &rst ixpk= 4001, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 484, 485, 486, &end # # 33 LEU HB3 34 LYS HN 3.50 (# 4002:10 Preassigned 2.36, 2.91 A) &rst ixpk= 4002, nxpk= 10, iat= 476, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HA 75 ILE HN 3.50 (# 4005:10 Preassigned 3.49, 3.58 A) &rst ixpk= 4005, nxpk= 10, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS HA 62 ASP HN 3.50 (# 4010:10 Preassigned 2.80, 3.45 A) &rst ixpk= 4010, nxpk= 10, iat= 898, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HB2 62 ASP HN 3.50 (# 4011:10 Preassigned 3.05, 3.53 A) &rst ixpk= 4011, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HG3 39 LYS HN 3.50 (# 4014:10 Preassigned 2.53, 3.72 A) &rst ixpk= 4014, nxpk= 10, iat= 587, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE HN 11 ILE HN 4.50 (# 4018:10 Preassigned 2.11, 2.60 A) &rst ixpk= 4018, nxpk= 10, iat= 164, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE QG1 11 ILE HN 4.50 (# 4019:10 Double Ambig) &rst ixpk= 4019, nxpk= 10, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 174, 175, &end # # 21 SER HN 22 GLU HN 4.50 (# 4020:10 Preassigned 2.28, 2.96 A) &rst ixpk= 4020, nxpk= 10, iat= 305, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HN 44 PHE HN 4.50 (# 4023:10 Preassigned 2.38, 2.69 A) &rst ixpk= 4023, nxpk= 10, iat= 676, 656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 ASP HN 56 LYS HN 3.50 (# 4024:10 Preassigned 2.39, 2.80 A) &rst ixpk= 4024, nxpk= 10, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HB3 56 LYS HN 3.50 (# 4025:10 Preassigned 3.17, 3.75 A) &rst ixpk= 4025, nxpk= 10, iat= 829, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 79 ALA HA 82 THR HN 3.50 (# 4026:10 Preassigned 3.41, 3.57 A) &rst ixpk= 4026, nxpk= 10, iat=1198,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 GLY HN 66 ASP HN 3.50 (# 4028:10 Preassigned 1.80, 2.71 A) &rst ixpk= 4028, nxpk= 10, iat= 985, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 49 LYS QB 50 ASP HN 3.50 (# 4032:10 Preassigned 3.81, 4.23 A) &rst ixpk= 4032, nxpk= 10, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 734, 735, &end # # 58 LEU HB3 58 LEU HN 3.50 (# 4033:10 Preassigned 2.19, 2.83 A) &rst ixpk= 4033, nxpk= 10, iat= 882, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN QB 69 VAL HN 3.50 (# 4034:10 Preassigned 3.67, 4.29 A) &rst ixpk= 4034, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1018,1019, &end # # 28 LEU QQD 69 VAL HN 6.00 (# 4036:10 Preassigned 3.63, 6.56 A) &rst ixpk= 4036, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 403, 404, 405, 407, 408, 409, &end # # 26 GLN HA 27 THR HN 3.50 (# 4037:10 Preassigned 1.86, 2.66 A) &rst ixpk= 4037, nxpk= 10, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 ALA HN 81 ILE HN 3.50 (# 4040:10 Preassigned 2.23, 2.35 A) &rst ixpk= 4040, nxpk= 10, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HB3 77 PHE HN 3.50 (# 4042:10 Preassigned 4.85, 6.23 A) &rst ixpk= 4042, nxpk= 10, iat= 935,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 GLU HN 21 SER HN 4.50 (# 4043:10 Preassigned 2.28, 2.96 A) &rst ixpk= 4043, nxpk= 10, iat= 316, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 THR HN 26 GLN HN 6.00 (# 4044:10 Preassigned 2.72, 3.73 A) &rst ixpk= 4044, nxpk= 10, iat= 349, 363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 26 GLN QG 26 GLN HN 3.50 (# 4045:10 Preassigned 2.06, 3.14 A) &rst ixpk= 4045, nxpk= 10, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 370, 371, &end # # 77 PHE HA 78 VAL HN 3.50 (# 4046:10 Preassigned 3.50, 3.55 A) &rst ixpk= 4046, nxpk= 10, iat=1162,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 51 LYS HN 50 ASP HN 3.50 (# 4047:10 Preassigned 2.20, 2.82 A) &rst ixpk= 4047, nxpk= 10, iat= 764, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 92 THR HA 93 GLY HN 4.50 (# 4048:10 Preassigned 2.19, 3.41 A) &rst ixpk= 4048, nxpk= 10, iat=1400,1412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 93 GLY QA 93 GLY HN 4.50 (# 4049:10 Preassigned 2.31, 2.69 A) &rst ixpk= 4049, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1414,1415, &end # # 22 GLU HA 23 GLY HN 3.50 (# 4050:10 Preassigned 2.10, 3.44 A) &rst ixpk= 4050, nxpk= 10, iat= 318, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HB3 54 VAL HN 4.50 (# 4052:10 Preassigned 6.30, 6.97 A) &rst ixpk= 4052, nxpk= 10, iat= 829, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASP HA 61 LEU HN 4.50 (# 4055:10 Preassigned 3.31, 3.37 A) &rst ixpk= 4055, nxpk= 10, iat= 920, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASP HB3 61 LEU HN 3.50 (# 4056:10 Preassigned 3.53, 4.03 A) &rst ixpk= 4056, nxpk= 10, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HB2 61 LEU HN 3.50 (# 4057:10 Preassigned 3.64, 3.74 A) &rst ixpk= 4057, nxpk= 10, iat= 934, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HG 61 LEU HN 3.50 (# 4058:10 Preassigned 2.09, 2.69 A) &rst ixpk= 4058, nxpk= 10, iat= 937, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU QD2 62 ASP HN 4.50 (# 4059:10 Preassigned 3.92, 6.73 A) &rst ixpk= 4059, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 943, 944, 945, &end # # 9 GLY HN 10 MET HN 4.50 (# 4060:10 Preassigned 2.20, 2.87 A) &rst ixpk= 4060, nxpk= 10, iat= 121, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 ALA QB 63 ALA HN 3.50 (# 4061:10 Preassigned 2.33, 3.05 A) &rst ixpk= 4061, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 965, 966, 967, &end # # 62 ASP HA 63 ALA HN 3.50 (# 4062:10 Preassigned 3.33, 3.49 A) &rst ixpk= 4062, nxpk= 10, iat= 951, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN HG3 68 GLN HN 3.50 (# 4064:10 Preassigned 2.97, 3.25 A) &rst ixpk= 4064, nxpk= 10, iat=1022,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 67 ALA HN 68 GLN HN 4.50 (# 4065:10 Preassigned 1.74, 1.90 A) &rst ixpk= 4065, nxpk= 10, iat=1004,1014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HB2 73 GLU HN 3.50 (# 4066:10 Preassigned 2.48, 2.73 A) &rst ixpk= 4066, nxpk= 10, iat=1094,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 PHE HN 76 VAL HN 4.50 (# 4067:10 Preassigned 2.46, 2.57 A) &rst ixpk= 4067, nxpk= 10, iat=1160,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HN 76 VAL HN 4.50 (# 4068:10 Preassigned 2.48, 2.66 A) &rst ixpk= 4068, nxpk= 10, iat=1125,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE QG2 76 VAL HN 3.50 (# 4069:10 Preassigned 2.39, 3.31 A) &rst ixpk= 4069, nxpk= 10, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1131,1132,1133, &end # # 73 GLU HA 76 VAL HN 4.50 (# 4071:10 Preassigned 3.12, 3.43 A) &rst ixpk= 4071, nxpk= 10, iat=1092,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE QG2 81 ILE HN 3.50 (# 4073:10 Preassigned 4.24, 4.57 A) &rst ixpk= 4073, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1222,1223,1224, &end # # 95 LYS HA 95 LYS HN 4.50 (# 4075:10 Preassigned 2.30, 2.76 A) &rst ixpk= 4075, nxpk= 10, iat=1440,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 94 LEU HG 95 LYS HN 4.50 (# 4076:10 Preassigned 3.10, 4.00 A) &rst ixpk= 4076, nxpk= 10, iat=1426,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 95 LYS HB3 95 LYS HN 4.50 (# 4079:10 Preassigned 2.57, 3.01 A) &rst ixpk= 4079, nxpk= 10, iat=1443,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 92 THR HB 92 THR HN 4.50 (# 4081:10 Preassigned 2.93, 3.48 A) &rst ixpk= 4081, nxpk= 10, iat=1402,1398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ASP HA 13 ASP HN 3.50 (# 4082:10 Preassigned 2.80, 2.87 A) &rst ixpk= 4082, nxpk= 10, iat= 185, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU QQD 57 LEU HN 3.50 (# 4085:10 Preassigned 2.19, 4.53 A) &rst ixpk= 4085, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 867, 868, 869, 871, 872, 873, &end # # 81 ILE HN 82 THR HN 4.50 (# 4086:10 Preassigned 2.51, 2.69 A) &rst ixpk= 4086, nxpk= 10, iat=1216,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 THR HA 82 THR HN 4.50 (# 4087:10 Preassigned 2.80, 2.83 A) &rst ixpk= 4087, nxpk= 10, iat=1237,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA QB 80 ALA HN 3.50 (# 4088:10 Preassigned 3.24, 4.03 A) &rst ixpk= 4088, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1200,1201,1202, &end # # 76 VAL HN 75 ILE HN 4.50 (# 4090:10 Preassigned 2.48, 2.66 A) &rst ixpk= 4090, nxpk= 10, iat=1144,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE QD 75 ILE HN 3.50 (# 4091:10 Preassigned 4.00, 4.98 A) &rst ixpk= 4091, nxpk= 10, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1138,1139,1140, &end # # 73 GLU HG3 71 PHE HN 4.50 (# 4092:10 Preassigned 4.53, 5.03 A) &rst ixpk= 4092, nxpk= 10, iat=1098,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HN 72 SER HN 3.50 (# 4093:10 Preassigned 4.32, 4.54 A) &rst ixpk= 4093, nxpk= 10, iat=1090,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HB3 70 ASP HN 3.50 (# 4098:10 Preassigned 3.97, 4.35 A) &rst ixpk= 4098, nxpk= 10, iat=1095,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ASP QB 63 ALA HN 3.50 (# 4102:10 Double Ambig) &rst ixpk= 4102, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 953, 954, &end # # 59 LYS QB 60 ASP HN 3.50 (# 4103:10 Preassigned 2.44, 3.01 A) &rst ixpk= 4103, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 900, 901, &end # # 58 LEU HB2 58 LEU HN 3.50 (# 4104:10 Preassigned 2.29, 2.61 A) &rst ixpk= 4104, nxpk= 10, iat= 881, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HA 55 ASP HN 3.50 (# 4106:10 Preassigned 2.14, 2.62 A) &rst ixpk= 4106, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 VAL HA 55 ASP HN 3.50 (# 4107:10 Preassigned 3.40, 3.56 A) &rst ixpk= 4107, nxpk= 10, iat= 810, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HB3 55 ASP HN 3.50 (# 4108:10 Preassigned 2.09, 2.92 A) &rst ixpk= 4108, nxpk= 10, iat= 829, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 VAL QG1 55 ASP HN 3.50 (# 4109:10 Preassigned 3.86, 6.79 A) &rst ixpk= 4109, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 814, 815, 816, &end # # 57 LEU HB3 58 LEU HN 3.50 (# 4110:10 Preassigned 2.35, 3.52 A) &rst ixpk= 4110, nxpk= 10, iat= 863, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 47 SER HA 47 SER HN 4.50 (# 4111:10 Preassigned 2.68, 2.85 A) &rst ixpk= 4111, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 40 GLU QB 40 GLU HN 4.50 (# 4117:10 Preassigned 2.60, 3.37 A) &rst ixpk= 4117, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 605, 606, &end # # 36 LEU QD1 40 GLU HN 4.50 (# 4118:10 Preassigned 2.44, 5.30 A) &rst ixpk= 4118, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 537, 538, 539, &end # # 40 GLU QG 40 GLU HN 4.50 (# 4120:10 Preassigned 1.79, 2.89 A) &rst ixpk= 4120, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 608, 609, &end # # 36 LEU HB3 40 GLU HN 4.50 (# 4121:10 Preassigned 4.05, 4.82 A) &rst ixpk= 4121, nxpk= 10, iat= 533, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HD2 40 GLU HN 6.00 (# 4123:10 Preassigned 4.00, 4.69 A) &rst ixpk= 4123, nxpk= 10, iat= 636, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 45 LEU HB3 43 GLY HN 6.00 (# 4124:10 Preassigned 5.57, 6.40 A) &rst ixpk= 4124, nxpk= 10, iat= 681, 649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 PRO HD3 43 GLY HN 4.50 (# 4126:10 Preassigned 4.15, 4.71 A) &rst ixpk= 4126, nxpk= 10, iat= 637, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LEU QD1 33 LEU HN 4.50 (# 4128:10 Preassigned 4.50, 5.20 A) &rst ixpk= 4128, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 480, 481, 482, &end # # 28 LEU HG 33 LEU HN 3.50 (# 4129:10 Preassigned 3.44, 3.97 A) &rst ixpk= 4129, nxpk= 10, iat= 401, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 LEU HB2 33 LEU HN 4.50 (# 4130:10 Preassigned 2.38, 3.58 A) &rst ixpk= 4130, nxpk= 10, iat= 398, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 LYS QD 31 GLY HN 4.50 (# 4132:10 Preassigned 5.10, 5.65 A) &rst ixpk= 4132, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 500, 501, &end # # 19 SER HN 20 GLY HN 3.50 (# 4137:10 Preassigned 2.57, 2.82 A) &rst ixpk= 4137, nxpk= 10, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 TYR HN 20 GLY HN 6.00 (# 4138:10 Preassigned 3.12, 3.96 A) &rst ixpk= 4138, nxpk= 10, iat= 266, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 19 SER HB2 20 GLY HN 4.50 (# 4139:10 Preassigned 3.77, 4.05 A) &rst ixpk= 4139, nxpk= 10, iat= 291, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 SER HB3 20 GLY HN 4.50 (# 4140:10 Preassigned 2.62, 3.37 A) &rst ixpk= 4140, nxpk= 10, iat= 292, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 GLN HN 25 THR HN 4.50 (# 4141:10 Preassigned 2.72, 3.73 A) &rst ixpk= 4141, nxpk= 10, iat= 363, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE HN 13 ASP HN 4.50 (# 4142:10 Preassigned 2.31, 2.60 A) &rst ixpk= 4142, nxpk= 10, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 ILE HN 12 ILE HN 4.50 (# 4143:10 Preassigned 2.11, 2.60 A) &rst ixpk= 4143, nxpk= 10, iat= 145, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 LEU HN 3 GLU HN 4.50 (# 4145:10 Preassigned 2.69, 3.07 A) &rst ixpk= 4145, nxpk= 10, iat= 50, 35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ASP HN 12 ILE HN 3.50 (# 4147:10 Preassigned 2.31, 2.60 A) &rst ixpk= 4147, nxpk= 10, iat= 183, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 ILE QG1 12 ILE HN 3.50 (# 4148:10 Preassigned 2.18, 3.71 A) &rst ixpk= 4148, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 155, 156, &end # # 7 ALA HN 8 MET HN 4.50 (# 4149:10 Preassigned 2.15, 2.35 A) &rst ixpk= 4149, nxpk= 10, iat= 94, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 24 SER HA 24 SER HN 4.50 (# 4150:10 Preassigned 2.16, 2.53 A) &rst ixpk= 4150, nxpk= 10, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 SER HN 21 SER HN 4.50 (# 4153:10 Preassigned 4.15, 4.59 A) &rst ixpk= 4153, nxpk= 10, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 THR HB 27 THR HN 4.50 (# 4154:10 Preassigned 3.49, 3.62 A) &rst ixpk= 4154, nxpk= 10, iat= 384, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU HN 34 LYS HN 4.50 (# 4155:10 Preassigned 3.23, 3.77 A) &rst ixpk= 4155, nxpk= 10, iat= 456, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 GLU HB3 38 GLU HN 3.50 (# 4156:10 Preassigned 3.48, 3.70 A) &rst ixpk= 4156, nxpk= 10, iat= 569, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HG3 40 GLU HN 4.50 (# 4157:10 Preassigned 2.93, 3.96 A) &rst ixpk= 4157, nxpk= 10, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 GLU HA 5 GLU HN 4.50 (# 4163:10 Preassigned 3.13, 3.93 A) &rst ixpk= 4163, nxpk= 10, iat= 37, 69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASP HN 59 LYS HN 3.50 (# 4167:10 Preassigned 2.77, 3.15 A) &rst ixpk= 4167, nxpk= 10, iat= 918, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 67 ALA HN 66 ASP HN 3.50 (# 4171:10 Preassigned 2.88, 3.64 A) &rst ixpk= 4171, nxpk= 10, iat=1004, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 70 ASP HB2 72 SER HN 4.50 (# 4173:10 Preassigned 2.82, 3.65 A) &rst ixpk= 4173, nxpk= 10, iat=1051,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU QQD 47 SER HN 4.50 (# 4174:10 Preassigned 5.44, 6.57 A) &rst ixpk= 4174, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 685, 686, 687, 689, 690, 691, &end # # 45 LEU HN 46 GLN HN 3.50 (# 4175:10 Preassigned 2.42, 2.68 A) &rst ixpk= 4175, nxpk= 10, iat= 676, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 SER HB3 26 GLN HN 4.50 (# 4176:10 Preassigned 3.34, 5.29 A) &rst ixpk= 4176, nxpk= 10, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HA 17 ARG HN 3.50 (# 4177:10 Preassigned 2.25, 2.75 A) &rst ixpk= 4177, nxpk= 10, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 92 THR HA 92 THR HN 4.50 (# 4179:10 Preassigned 2.14, 2.73 A) &rst ixpk= 4179, nxpk= 10, iat=1400,1398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 93 GLY QA 92 THR HN 4.50 (# 4185:10 Preassigned 1.82, 4.38 A) &rst ixpk= 4185, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1414,1415, &end # # 54 VAL HN 55 ASP HN 3.50 (# 4187:10 Preassigned 2.65, 3.36 A) &rst ixpk= 4187, nxpk= 10, iat= 808, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 LYS HA 34 LYS HN 3.50 (# 4189:10 Preassigned 2.82, 2.86 A) &rst ixpk= 4189, nxpk= 10, iat= 492, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 LEU QD2 36 LEU HN 4.50 (# 4191:10 Preassigned 3.64, 4.98 A) &rst ixpk= 4191, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 541, 542, 543, &end # # 36 LEU QD1 36 LEU HN 3.50 (# 4192:10 Preassigned 2.43, 4.73 A) &rst ixpk= 4192, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 537, 538, 539, &end # # 36 LEU HB3 36 LEU HN 3.50 (# 4193:10 Preassigned 2.24, 2.62 A) &rst ixpk= 4193, nxpk= 10, iat= 533, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 VAL HN 55 ASP HN 4.50 (# 4195:10 Preassigned 2.65, 3.36 A) &rst ixpk= 4195, nxpk= 10, iat= 808, 824, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 53 ALA QB 55 ASP HN 3.50 (# 4196:10 Preassigned 2.77, 4.68 A) &rst ixpk= 4196, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 802, 803, 804, &end # # 45 LEU QQD 46 GLN HN 3.50 (# 4197:10 Preassigned 3.96, 5.29 A) &rst ixpk= 4197, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 81 ILE QD 81 ILE HN 3.50 (# 4198:10 Double Ambig) &rst ixpk= 4198, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1229,1230,1231, &end # # 81 ILE HG3 81 ILE HN 3.50 (# 4199:10 Preassigned 3.54, 3.68 A) &rst ixpk= 4199, nxpk= 10, iat=1227,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 ASP HB3 13 ASP HN 3.50 (# 4202:10 Preassigned 2.14, 2.52 A) &rst ixpk= 4202, nxpk= 10, iat= 188, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 5 GLU HB3 2 THR HN 6.00 (# 4203:10 Preassigned 3.30, 4.11 A) &rst ixpk= 4203, nxpk= 10, iat= 74, 21, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HB3 4 LEU HN 4.50 (# 4207:10 Preassigned 4.96, 5.96 A) &rst ixpk= 4207, nxpk= 10, iat= 74, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HG3 4 LEU HN 4.50 (# 4208:10 Preassigned 4.11, 6.87 A) &rst ixpk= 4208, nxpk= 10, iat= 77, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HB3 6 ALA HN 3.50 (# 4209:10 Preassigned 3.11, 3.59 A) &rst ixpk= 4209, nxpk= 10, iat= 74, 84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 5 GLU HN 7 ALA HN 6.00 (# 4210:10 Preassigned 2.72, 3.24 A) &rst ixpk= 4210, nxpk= 10, iat= 69, 94, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 MET HG3 8 MET HN 3.50 (# 4211:10 Preassigned 4.00, 4.31 A) &rst ixpk= 4211, nxpk= 10, iat= 112, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE QG2 12 ILE HN 3.50 (# 4214:10 Preassigned 3.85, 4.38 A) &rst ixpk= 4214, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 170, 171, 172, &end # # 78 VAL QG1 12 ILE HN 4.50 (# 4215:10 Preassigned 4.01, 4.20 A) &rst ixpk= 4215, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1186,1187,1188, &end # # 11 ILE HB 12 ILE HN 3.50 (# 4216:10 Preassigned 2.98, 3.52 A) &rst ixpk= 4216, nxpk= 10, iat= 149, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 ILE HB 12 ILE HN 3.50 (# 4217:10 Preassigned 2.98, 3.52 A) &rst ixpk= 4217, nxpk= 10, iat= 149, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 PHE HB3 12 ILE HN 4.50 (# 4219:10 Double Ambig) &rst ixpk= 4219, nxpk= 10, iat= 216, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET HA 12 ILE HN 4.50 (# 4220:10 Preassigned 3.51, 4.10 A) &rst ixpk= 4220, nxpk= 10, iat= 130, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 GLY HA2 12 ILE HN 4.50 (# 4222:10 Preassigned 2.33, 3.56 A) &rst ixpk= 4222, nxpk= 10, iat= 123, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HN 14 VAL HN 4.50 (# 4224:10 Preassigned 2.56, 2.87 A) &rst ixpk= 4224, nxpk= 10, iat= 211, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ASP HB2 14 VAL HN 3.50 (# 4225:10 Preassigned 2.19, 3.48 A) &rst ixpk= 4225, nxpk= 10, iat= 187, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 ASP HB3 14 VAL HN 3.50 (# 4226:10 Preassigned 2.18, 2.63 A) &rst ixpk= 4226, nxpk= 10, iat= 188, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 VAL QQG 14 VAL HN 3.50 (# 4227:10 Preassigned 2.18, 3.94 A) &rst ixpk= 4227, nxpk= 10, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 201, 202, 203, 205, 206, 207, &end # # 14 VAL HN 15 PHE HN 3.50 (# 4228:10 Preassigned 2.56, 2.87 A) &rst ixpk= 4228, nxpk= 10, iat= 195, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 ARG HN 15 PHE HN 4.50 (# 4229:10 Preassigned 3.88, 4.70 A) &rst ixpk= 4229, nxpk= 10, iat= 242, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 VAL HN 16 SER HN 4.50 (# 4232:10 Preassigned 3.92, 4.60 A) &rst ixpk= 4232, nxpk= 10, iat= 195, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HB2 16 SER HN 4.50 (# 4233:10 Preassigned 3.42, 3.93 A) &rst ixpk= 4233, nxpk= 10, iat= 215, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HB3 16 SER HN 4.50 (# 4234:10 Preassigned 2.41, 3.36 A) &rst ixpk= 4234, nxpk= 10, iat= 216, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HN 18 TYR HN 3.50 (# 4235:10 Preassigned 2.55, 2.98 A) &rst ixpk= 4235, nxpk= 10, iat= 242, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 TYR HB2 19 SER HN 4.50 (# 4237:10 Preassigned 2.13, 2.67 A) &rst ixpk= 4237, nxpk= 10, iat= 270, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 28 LEU HG 19 SER HN 4.50 (# 4238:10 Preassigned 3.75, 5.16 A) &rst ixpk= 4238, nxpk= 10, iat= 401, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 18 TYR HN 19 SER HN 4.50 (# 4239:10 Preassigned 2.27, 3.40 A) &rst ixpk= 4239, nxpk= 10, iat= 266, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HB2 17 ARG HN 3.50 (# 4240:10 Preassigned 4.11, 4.51 A) &rst ixpk= 4240, nxpk= 10, iat= 246, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 GLU HN 39 LYS HN 3.50 (# 4241:10 Preassigned 1.99, 3.05 A) &rst ixpk= 4241, nxpk= 10, iat= 564, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 41 LEU QD1 40 GLU HN 4.50 (# 4242:10 Preassigned 3.51, 5.03 A) &rst ixpk= 4242, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 625, 626, 627, &end # # 78 VAL HA 79 ALA HN 4.50 (# 4244:10 Preassigned 3.55, 3.58 A) &rst ixpk= 4244, nxpk= 10, iat=1182,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 ALA HN 4 LEU HN 4.50 (# 4245:10 Preassigned 3.17, 4.08 A) &rst ixpk= 4245, nxpk= 10, iat= 84, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 28 LEU HB2 28 LEU HN 4.50 (# 4252:10 Preassigned 2.67, 3.25 A) &rst ixpk= 4252, nxpk= 10, iat= 398, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 72 SER HA 74 PHE HN 4.50 (# 4253:10 Preassigned 4.33, 4.76 A) &rst ixpk= 4253, nxpk= 10, iat=1081,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 GLN HB2 26 GLN HN 3.50 (# 4255:10 Preassigned 2.25, 2.93 A) &rst ixpk= 4255, nxpk= 10, iat= 367, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 GLN HB3 26 GLN HN 3.50 (# 4256:10 Preassigned 2.23, 2.98 A) &rst ixpk= 4256, nxpk= 10, iat= 368, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HB3 58 LEU HN 3.50 (# 4258:10 Preassigned 2.35, 3.52 A) &rst ixpk= 4258, nxpk= 10, iat= 863, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 91 LYS HB3 91 LYS HN 3.50 (# 4260:10 Preassigned 2.28, 3.30 A) &rst ixpk= 4260, nxpk= 10, iat=1381,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 91 LYS HB2 91 LYS HN 3.50 (# 4261:10 Preassigned 2.63, 3.32 A) &rst ixpk= 4261, nxpk= 10, iat=1380,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 PHE HB3 77 PHE HN 3.50 (# 4263:10 Preassigned 2.07, 2.32 A) &rst ixpk= 4263, nxpk= 10, iat=1165,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 LEU HB3 34 LYS HN 4.50 (# 4272:10 Preassigned 5.19, 5.45 A) &rst ixpk= 4272, nxpk= 10, iat= 533, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HG 46 GLN HN 4.50 (# 4275:10 Preassigned 4.13, 4.28 A) &rst ixpk= 4275, nxpk= 10, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 LYS QD 89 PHE HN 3.50 (# 4279:10 Preassigned 3.92, 4.82 A) &rst ixpk= 4279, nxpk= 10, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1386,1387, &end # # 37 MET HA 39 LYS HN 4.50 (# 4280:10 Preassigned 2.01, 3.85 A) &rst ixpk= 4280, nxpk= 10, iat= 549, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 LEU HN 57 LEU HN 3.50 (# 4287:10 Preassigned 2.13, 2.65 A) &rst ixpk= 4287, nxpk= 10, iat= 877, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 76 VAL HA 76 VAL HN 4.50 (# 4289:10 Preassigned 2.86, 2.91 A) &rst ixpk= 4289, nxpk= 10, iat=1146,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 1 MET HA 2 THR HN 4.50 (# 4290:10 Preassigned 2.28, 2.60 A) &rst ixpk= 4290, nxpk= 10, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS QD 40 GLU HN 4.50 (# 4292:10 Preassigned 4.80, 5.55 A) &rst ixpk= 4292, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 589, 590, &end # # 3 GLU HG2 4 LEU HN 4.50 (# 4293:10 Preassigned 3.16, 5.21 A) &rst ixpk= 4293, nxpk= 10, iat= 42, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE QG1 79 ALA HN 4.50 (# 4295:10 Preassigned 4.20, 5.43 A) &rst ixpk= 4295, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1135,1136, &end # # 3 GLU HN 4 LEU HN 4.50 (# 4298:10 Preassigned 2.69, 3.07 A) &rst ixpk= 4298, nxpk= 10, iat= 35, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 GLU HG2 4 LEU HN 4.50 (# 4300:10 Preassigned 3.46, 4.66 A) &rst ixpk= 4300, nxpk= 10, iat= 76, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS HB3 30 LYS HN 4.50 (# 4304:10 Preassigned 2.28, 2.59 A) &rst ixpk= 4304, nxpk= 10, iat= 432, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE HA 71 PHE HN 3.50 (# 4305:10 Preassigned 2.75, 2.83 A) &rst ixpk= 4305, nxpk= 10, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 71 PHE QB 71 PHE HN 3.50 (# 4306:10 Preassigned 2.43, 3.14 A) &rst ixpk= 4306, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1063,1064, &end # # 27 THR HA 28 LEU HN 3.50 (# 4317:10 Preassigned 2.44, 2.65 A) &rst ixpk= 4317, nxpk= 10, iat= 382, 394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 LEU HA 28 LEU HN 4.50 (# 4318:10 Preassigned 2.88, 2.94 A) &rst ixpk= 4318, nxpk= 10, iat= 396, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 VAL HA 28 LEU HN 6.00 (# 4319:10 Preassigned 4.15, 4.39 A) &rst ixpk= 4319, nxpk= 10, iat=1033, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 1 MET QG 7 ALA HN 4.50 (# 4320:10 Preassigned 4.70, 5.50 A) &rst ixpk= 4320, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 11, 12, &end # # 8 MET HG3 7 ALA HN 4.50 (# 4321:10 Preassigned 4.70, 5.50 A) &rst ixpk= 4321, nxpk= 10, iat= 112, 94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 28 LEU HA 29 THR HN 3.50 (# 4322:10 Preassigned 2.07, 2.15 A) &rst ixpk= 4322, nxpk= 10, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 LEU HA 29 THR HN 3.50 (# 4323:10 Preassigned 2.07, 2.15 A) &rst ixpk= 4323, nxpk= 10, iat= 415, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 GLN HA 26 GLN HN 3.50 (# 4327:10 Preassigned 2.39, 2.62 A) &rst ixpk= 4327, nxpk= 10, iat= 365, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 PHE HB2 78 VAL HN 3.50 (# 4335:10 Preassigned 1.96, 3.15 A) &rst ixpk= 4335, nxpk= 10, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 VAL HA 78 VAL HN 3.50 (# 4337:10 Preassigned 2.78, 2.81 A) &rst ixpk= 4337, nxpk= 10, iat=1182,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 ARG HB2 14 VAL HN 4.50 (# 4339:10 Preassigned 5.24, 5.42 A) &rst ixpk= 4339, nxpk= 10, iat= 246, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HG2 14 VAL HN 4.50 (# 4340:10 Preassigned 4.11, 4.67 A) &rst ixpk= 4340, nxpk= 10, iat= 249, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 35 VAL HN 34 LYS HN 4.50 (# 4341:10 Preassigned 2.61, 2.80 A) &rst ixpk= 4341, nxpk= 10, iat= 512, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 ILE QG1 13 ASP HN 4.50 (# 4343:10 Preassigned 4.70, 5.80 A) &rst ixpk= 4343, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 155, 156, &end # # 78 VAL QG2 77 PHE HN 4.50 (# 4348:10 Preassigned 4.88, 6.24 A) &rst ixpk= 4348, nxpk= 10, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1190,1191,1192, &end # # 5 GLU HB2 5 GLU HN 4.50 (# 4350:10 Preassigned 2.47, 2.79 A) &rst ixpk= 4350, nxpk= 10, iat= 73, 69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HB2 46 GLN HN 3.50 (# 4353:10 Preassigned 1.89, 2.42 A) &rst ixpk= 4353, nxpk= 10, iat= 680, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN HG3 67 ALA HN 4.50 (# 4354:10 Preassigned 4.47, 4.90 A) &rst ixpk= 4354, nxpk= 10, iat=1022,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 LYS HA 89 PHE HN 3.50 (# 4360:10 Preassigned 2.12, 2.29 A) &rst ixpk= 4360, nxpk= 10, iat=1378,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 LYS HN 57 LEU HN 3.50 (# 4366:10 Preassigned 2.15, 2.39 A) &rst ixpk= 4366, nxpk= 10, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 95 LYS HZ 95 LYS HN 4.50 (# 4376:10 Preassigned 2.77, 5.17 A) &rst ixpk= 4376, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1454,1455,1456, &end # # 68 GLN HA 70 ASP HN 6.00 (# 4377:10 Preassigned 5.05, 5.41 A) &rst ixpk= 4377, nxpk= 10, iat=1016,1047, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 73 GLU HB2 70 ASP HN 3.50 (# 4378:10 Preassigned 2.62, 3.30 A) &rst ixpk= 4378, nxpk= 10, iat=1094,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 THR HN 32 GLU HN 4.50 (# 4379:10 Preassigned 3.75, 4.05 A) &rst ixpk= 4379, nxpk= 10, iat= 413, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS HA 32 GLU HN 4.50 (# 4380:10 Preassigned 3.99, 4.25 A) &rst ixpk= 4380, nxpk= 10, iat= 429, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 66 ASP HN 67 ALA HN 4.50 (# 4383:10 Preassigned 2.88, 3.64 A) &rst ixpk= 4383, nxpk= 10, iat= 992,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 GLU HG3 90 GLU HN 4.50 (# 4387:10 Preassigned 3.58, 4.40 A) &rst ixpk= 4387, nxpk= 10, iat=1369,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 GLU HB3 90 GLU HN 3.50 (# 4388:10 Preassigned 2.39, 2.89 A) &rst ixpk= 4388, nxpk= 10, iat=1366,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE QD 80 ALA HN 3.50 (# 4392:10 Double Ambig) &rst ixpk= 4392, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1229,1230,1231, &end # # 78 VAL HA 80 ALA HN 6.00 (# 4393:10 Preassigned 3.78, 3.86 A) &rst ixpk= 4393, nxpk= 10, iat=1182,1206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 72 SER HA 73 GLU HN 3.50 (# 4394:10 Preassigned 3.37, 3.49 A) &rst ixpk= 4394, nxpk= 10, iat=1081,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE HA 13 ASP HN 4.50 (# 4395:10 Preassigned 3.37, 3.52 A) &rst ixpk= 4395, nxpk= 10, iat= 166, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ASP HB3 13 ASP HN 3.50 (# 4396:10 Preassigned 2.14, 2.52 A) &rst ixpk= 4396, nxpk= 10, iat= 188, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 GLU HN 33 LEU HN 6.00 (# 4398:10 Preassigned 2.12, 2.27 A) &rst ixpk= 4398, nxpk= 10, iat= 456, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLU QG 33 LEU HN 4.50 (# 4399:10 Preassigned 2.60, 4.06 A) &rst ixpk= 4399, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 463, 464, &end # # 32 GLU QB 33 LEU HN 4.50 (# 4400:10 Preassigned 2.17, 3.39 A) &rst ixpk= 4400, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 460, 461, &end # # 28 LEU QQD 33 LEU HN 3.50 (# 4401:10 Preassigned 3.18, 5.23 A) &rst ixpk= 4401, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 403, 404, 405, 407, 408, 409, &end # # 68 GLN HG2 30 LYS HN 4.50 (# 4403:10 Preassigned 4.09, 4.42 A) &rst ixpk= 4403, nxpk= 10, iat=1021, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 28 LEU HG 28 LEU HN 4.50 (# 4405:10 Preassigned 3.48, 4.47 A) &rst ixpk= 4405, nxpk= 10, iat= 401, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 VAL HA 14 VAL HN 3.50 (# 4406:10 Preassigned 2.74, 2.85 A) &rst ixpk= 4406, nxpk= 10, iat= 197, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 VAL HA 14 VAL HN 3.50 (# 4407:10 Preassigned 2.74, 2.85 A) &rst ixpk= 4407, nxpk= 10, iat= 197, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 MET HG2 12 ILE HN 4.50 (# 4408:10 Preassigned 4.20, 4.77 A) &rst ixpk= 4408, nxpk= 10, iat= 111, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS HN 69 VAL HN 4.50 (# 4410:10 Preassigned 5.05, 5.44 A) &rst ixpk= 4410, nxpk= 10, iat= 427,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 ALA HA 65 GLY HN 6.00 (# 4413:10 Preassigned 6.08, 6.88 A) &rst ixpk= 4413, nxpk= 10, iat=1006, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 63 ALA QB 65 GLY HN 4.50 (# 4414:10 Preassigned 5.13, 5.81 A) &rst ixpk= 4414, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 965, 966, 967, &end # # 19 SER HN 20 GLY HN 4.50 (# 4416:10 Preassigned 2.60, 2.78 A) &rst ixpk= 4416, nxpk= 10, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 47 SER HA 48 GLY HN 4.50 (# 4417:10 Preassigned 4.02, 4.05 A) &rst ixpk= 4417, nxpk= 10, iat= 714, 723, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 SER HA 20 GLY HN 3.50 (# 4418:10 Preassigned 2.90, 3.43 A) &rst ixpk= 4418, nxpk= 10, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 LEU QQD 48 GLY HN 6.00 (# 4420:10 Preassigned 3.34, 5.91 A) &rst ixpk= 4420, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 685, 686, 687, 689, 690, 691, &end # # 70 ASP HA 27 THR HN 4.50 (# 4421:10 Unique 4.47, 4.93 A) &rst ixpk= 4421, nxpk= 10, iat=1049, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN QB 27 THR HN 4.50 (# 4422:10 Preassigned 4.63, 5.93 A) &rst ixpk= 4422, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1018,1019, &end # # 84 ALA HA 85 SER HN 4.50 (# 4423:10 Preassigned 3.29, 3.49 A) &rst ixpk= 4423, nxpk= 10, iat=1262,1270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 THR HB 29 THR HN 4.50 (# 4425:10 Preassigned 3.36, 4.63 A) &rst ixpk= 4425, nxpk= 10, iat= 384, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 LYS HA 92 THR HN 3.50 (# 4426:10 Preassigned 2.53, 3.27 A) &rst ixpk= 4426, nxpk= 10, iat=1378,1398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HB3 72 SER HN 6.00 (# 4428:10 Preassigned 4.76, 5.00 A) &rst ixpk= 4428, nxpk= 10, iat=1110,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 72 SER HA 72 SER HN 3.50 (# 4429:10 Preassigned 2.86, 2.89 A) &rst ixpk= 4429, nxpk= 10, iat=1081,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE QG2 72 SER HN 4.50 (# 4430:10 Preassigned 4.77, 5.71 A) &rst ixpk= 4430, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1131,1132,1133, &end # # 12 ILE HA 16 SER HN 4.50 (# 4432:10 Unique 3.73, 4.85 A) &rst ixpk= 4432, nxpk= 10, iat= 166, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 THR HA 25 THR HN 3.50 (# 4434:10 Preassigned 2.63, 2.80 A) &rst ixpk= 4434, nxpk= 10, iat= 351, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 THR HB 25 THR HN 3.50 (# 4435:10 Preassigned 2.17, 2.98 A) &rst ixpk= 4435, nxpk= 10, iat= 353, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 GLY HA3 8 MET HN 6.00 (# 4436:10 Preassigned 4.29, 5.24 A) &rst ixpk= 4436, nxpk= 10, iat= 124, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 41 LEU HN 38 GLU HN 4.50 (# 4440:10 Preassigned 3.48, 5.34 A) &rst ixpk= 4440, nxpk= 10, iat= 616, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 GLY HA2 24 SER HN 4.50 (# 4441:10 Preassigned 3.46, 3.70 A) &rst ixpk= 4441, nxpk= 10, iat= 333, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE QG2 84 ALA HN 4.50 (# 4442:10 Double Ambig) &rst ixpk= 4442, nxpk= 10, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1222,1223,1224, &end # # 2 THR HB 4 LEU HN 4.50 (# 4443:10 Preassigned 3.36, 4.73 A) &rst ixpk= 4443, nxpk= 10, iat= 25, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HN 74 PHE HN 4.50 (# 4444:10 Preassigned 2.69, 2.88 A) &rst ixpk= 4444, nxpk= 10, iat=1125,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 52 ASP HA 55 ASP HN 6.00 (# 4446:10 Preassigned 3.90, 4.99 A) &rst ixpk= 4446, nxpk= 10, iat= 788, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ASP HA 55 ASP HN 3.50 (# 4447:10 Double Ambig) &rst ixpk= 4447, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HN 59 LYS HN 4.50 (# 4451:10 Preassigned 3.99, 4.49 A) &rst ixpk= 4451, nxpk= 10, iat= 858, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA HN 75 ILE HN 6.00 (# 4452:10 Preassigned 5.80, 6.03 A) &rst ixpk= 4452, nxpk= 10, iat=1196,1125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 12 ILE HA 75 ILE HN 4.50 (# 4454:10 Preassigned 5.23, 5.76 A) &rst ixpk= 4454, nxpk= 10, iat= 166,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 93 GLY QA 89 PHE HN 3.50 (# 4458:10 Double Ambig) &rst ixpk= 4458, nxpk= 10, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1414,1415, &end # # 81 ILE QG2 82 THR HN 3.50 (# 4462:10 Preassigned 3.37, 4.56 A) &rst ixpk= 4462, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1222,1223,1224, &end # # 78 VAL QG1 82 THR HN 4.50 (# 4463:10 Preassigned 4.23, 5.28 A) &rst ixpk= 4463, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1186,1187,1188, &end # # 63 ALA HA 66 ASP HN 4.50 (# 4465:10 Preassigned 4.52, 5.07 A) &rst ixpk= 4465, nxpk= 10, iat= 963, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 GLN HE21 46 GLN HN 4.50 (# 4466:10 Preassigned 3.53, 4.16 A) &rst ixpk= 4466, nxpk= 10, iat= 707, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA HN 78 VAL HN 4.50 (# 4468:10 Preassigned 2.76, 2.92 A) &rst ixpk= 4468, nxpk= 10, iat=1196,1180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HG2 78 VAL HN 3.50 (# 4470:10) &rst ixpk= 4470, nxpk= 10, iat=1226,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 TYR HN 17 ARG HN 4.50 (# 4471:10 Double Ambig) &rst ixpk= 4471, nxpk= 10, iat= 266, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 LYS HA 51 LYS HN 3.50 (# 4472:10 Preassigned 2.76, 3.55 A) &rst ixpk= 4472, nxpk= 10, iat= 732, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 PHE HA 15 PHE HN 3.50 (# 4475:10 Preassigned 2.18, 2.63 A) &rst ixpk= 4475, nxpk= 10, iat= 213, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 ARG HG2 15 PHE HN 4.50 (# 4476:10 Preassigned 4.38, 5.61 A) &rst ixpk= 4476, nxpk= 10, iat= 249, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE HA 75 ILE HN 4.50 (# 4477:10 Preassigned 5.23, 5.76 A) &rst ixpk= 4477, nxpk= 10, iat= 166,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 PHE HB2 75 ILE HN 4.50 (# 4478:10 Preassigned 3.78, 4.04 A) &rst ixpk= 4478, nxpk= 10, iat=1109,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE QB 75 ILE HN 6.00 (# 4480:10 Unique 5.06, 5.90 A) &rst ixpk= 4480, nxpk= 10, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1063,1064, &end # # 77 PHE HB2 78 VAL HN 3.50 (# 4484:10 Preassigned 1.96, 3.15 A) &rst ixpk= 4484, nxpk= 10, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 85 SER HN 81 ILE HN 6.00 (# 4485:10 Preassigned 5.78, 6.07 A) &rst ixpk= 4485, nxpk= 10, iat=1270,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 78 VAL HN 81 ILE HN 6.00 (# 4487:10 Preassigned 4.79, 4.89 A) &rst ixpk= 4487, nxpk= 10, iat=1180,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 79 ALA HN 81 ILE HN 6.00 (# 4488:10 Preassigned 4.16, 4.42 A) &rst ixpk= 4488, nxpk= 10, iat=1196,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 78 VAL HA 81 ILE HN 6.00 (# 4490:10 Preassigned 3.07, 3.23 A) &rst ixpk= 4490, nxpk= 10, iat=1182,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 PHE HB2 81 ILE HN 6.00 (# 4491:10 Preassigned 5.81, 6.20 A) &rst ixpk= 4491, nxpk= 10, iat=1164,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 LYS HN 55 ASP HN 3.50 (# 4493:10 Preassigned 2.39, 2.80 A) &rst ixpk= 4493, nxpk= 10, iat= 836, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 MET HN 36 LEU HN 4.50 (# 4494:10 Preassigned 2.23, 3.11 A) &rst ixpk= 4494, nxpk= 10, iat= 547, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 35 VAL HN 36 LEU HN 4.50 (# 4495:10 Preassigned 1.97, 2.30 A) &rst ixpk= 4495, nxpk= 10, iat= 512, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS HG3 36 LEU HN 4.50 (# 4497:10 Preassigned 4.54, 5.00 A) &rst ixpk= 4497, nxpk= 10, iat= 587, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS HG2 36 LEU HN 4.50 (# 4498:10 Preassigned 4.62, 4.99 A) &rst ixpk= 4498, nxpk= 10, iat= 586, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 GLU HA 22 GLU HN 3.50 (# 4499:10 Preassigned 2.55, 2.88 A) &rst ixpk= 4499, nxpk= 10, iat= 318, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 SER HA 22 GLU HN 3.50 (# 4500:10 Preassigned 2.15, 3.22 A) &rst ixpk= 4500, nxpk= 10, iat= 307, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 50 ASP HN 51 LYS HN 3.50 (# 4501:10 Preassigned 2.20, 2.82 A) &rst ixpk= 4501, nxpk= 10, iat= 752, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 41 LEU HA 41 LEU HN 6.00 (# 4502:10 Preassigned 2.05, 2.73 A) &rst ixpk= 4502, nxpk= 10, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 12 ILE HA 12 ILE HN 4.50 (# 4503:10 Preassigned 2.87, 2.91 A) &rst ixpk= 4503, nxpk= 10, iat= 166, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE HA 12 ILE HN 4.50 (# 4504:10 Preassigned 2.87, 2.91 A) &rst ixpk= 4504, nxpk= 10, iat= 166, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HB2 12 ILE HN 6.00 (# 4505:10 Preassigned 5.37, 6.08 A) &rst ixpk= 4505, nxpk= 10, iat= 215, 164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 89 PHE QB 91 LYS HN 3.50 (# 4506:10 Preassigned 2.79, 4.36 A) &rst ixpk= 4506, nxpk= 10, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1345,1346, &end # # 59 LYS HN 60 ASP HN 3.50 (# 4507:10 Preassigned 2.77, 3.15 A) &rst ixpk= 4507, nxpk= 10, iat= 896, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ASP HN 60 ASP HN 4.50 (# 4508:10 Preassigned 4.27, 4.44 A) &rst ixpk= 4508, nxpk= 10, iat= 949, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 ALA HA 68 GLN HN 3.50 (# 4509:10 Preassigned 3.44, 3.54 A) &rst ixpk= 4509, nxpk= 10, iat=1006,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 MET HG2 36 LEU HN 3.50 (# 4511:10 Preassigned 3.17, 4.08 A) &rst ixpk= 4511, nxpk= 10, iat= 554, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 THR QG 5 GLU HN 3.50 (# 4512:10 Preassigned 3.34, 4.75 A) &rst ixpk= 4512, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 27, 28, 29, &end # # 70 ASP HB3 70 ASP HN 4.50 (# 4513:10 Preassigned 2.27, 2.93 A) &rst ixpk= 4513, nxpk= 10, iat=1052,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 THR HN 81 ILE HN 4.50 (# 4514:10 Preassigned 2.51, 2.69 A) &rst ixpk= 4514, nxpk= 10, iat=1235,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 GLY HN 25 THR HN 4.50 (# 4515:10 Preassigned 4.81, 6.77 A) &rst ixpk= 4515, nxpk= 10, iat= 331, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 VAL QG2 68 GLN HN 4.50 (# 4516:10 Preassigned 4.64, 5.93 A) &rst ixpk= 4516, nxpk= 10, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 5 GLU HG3 6 ALA HN 4.50 (# 4518:10 Preassigned 3.35, 4.49 A) &rst ixpk= 4518, nxpk= 10, iat= 77, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN HG3 30 LYS HN 4.50 (# 4519:10 Preassigned 4.32, 4.97 A) &rst ixpk= 4519, nxpk= 10, iat=1022, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HG3 75 ILE HN 6.00 (# 4520:10 Preassigned 4.89, 5.53 A) &rst ixpk= 4520, nxpk= 10, iat=1098,1125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 LEU QD1 55 ASP HN 4.50 (# 4525:10 Preassigned 5.33, 6.64 A) &rst ixpk= 4525, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 480, 481, 482, &end # # 28 LEU QQD 29 THR HN 4.50 (# 4526:10 Preassigned 3.90, 5.74 A) &rst ixpk= 4526, nxpk= 10, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 28 LEU HB2 29 THR HN 4.50 (# 4527:10 Preassigned 2.73, 3.80 A) &rst ixpk= 4527, nxpk= 10, iat= 398, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 72 SER HA 76 VAL HN 4.50 (# 4529:10 Preassigned 4.06, 4.40 A) &rst ixpk= 4529, nxpk= 10, iat=1081,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU QG 32 GLU HN 3.50 (# 4530:10 Preassigned 2.33, 4.00 A) &rst ixpk= 4530, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 463, 464, &end # # 32 GLU QB 32 GLU HN 4.50 (# 4531:10 Preassigned 2.12, 2.72 A) &rst ixpk= 4531, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 460, 461, &end # # 11 ILE QD 8 MET HN 4.50 (# 4535:10 Preassigned 3.82, 5.15 A) &rst ixpk= 4535, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 158, 159, 160, &end # # 84 ALA HA 83 SER HN 6.00 (# 4539:10 Preassigned 4.99, 5.24 A) &rst ixpk= 4539, nxpk= 10, iat=1262,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 67 ALA HA 67 ALA HN 4.50 (# 4542:10 Preassigned 2.73, 2.86 A) &rst ixpk= 4542, nxpk= 10, iat=1006,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 GLY QA 33 LEU HN 4.50 (# 4543:10 Preassigned 4.57, 4.88 A) &rst ixpk= 4543, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 451, 452, &end # # 55 ASP HA 55 ASP HN 4.50 (# 4546:10 Preassigned 2.14, 2.62 A) &rst ixpk= 4546, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 21 SER QB 22 GLU HN 3.50 (# 4547:10 Preassigned 2.32, 3.54 A) &rst ixpk= 4547, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 309, 310, &end # # 28 LEU HG 19 SER HN 4.50 (# 4557:10 Preassigned 3.75, 5.16 A) &rst ixpk= 4557, nxpk= 10, iat= 401, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE QG2 13 ASP HN 4.50 (# 4564:10 Preassigned 3.12, 4.27 A) &rst ixpk= 4564, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 170, 171, 172, &end # # 58 LEU QD1 69 VAL HN 3.50 (# 4565:10 Unique 2.57, 4.62 A) &rst ixpk= 4565, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 886, 887, 888, &end # # 83 SER HA 83 SER HN 4.50 (# 4569:10 Preassigned 2.86, 2.90 A) &rst ixpk= 4569, nxpk= 10, iat=1251,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE QD 12 ILE HN 4.50 (# 4570:10 Preassigned 3.44, 4.55 A) &rst ixpk= 4570, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1138,1139,1140, &end # # 75 ILE QD 12 ILE HN 4.50 (# 4571:10 Preassigned 3.44, 4.55 A) &rst ixpk= 4571, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1138,1139,1140, &end # # 92 THR HA 93 GLY HN 4.50 (# 4575:10 Preassigned 2.19, 3.41 A) &rst ixpk= 4575, nxpk= 10, iat=1400,1412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 93 GLY QA 93 GLY HN 4.50 (# 4576:10 Preassigned 2.31, 2.69 A) &rst ixpk= 4576, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1414,1415, &end # # 94 LEU HN 89 PHE HN 4.50 (# 4577:10 Double Ambig) &rst ixpk= 4577, nxpk= 10, iat=1419,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 GLY HN 10 MET HN 4.50 (# 4578:10 Preassigned 2.20, 2.87 A) &rst ixpk= 4578, nxpk= 10, iat= 121, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU HA 32 GLU HN 4.50 (# 4581:10 Preassigned 2.90, 2.95 A) &rst ixpk= 4581, nxpk= 10, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 THR HB 25 THR HN 3.50 (# 4585:10 Preassigned 2.17, 2.98 A) &rst ixpk= 4585, nxpk= 10, iat= 353, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 79 ALA HA 83 SER HN 4.50 (# 4589:10 Preassigned 4.64, 4.83 A) &rst ixpk= 4589, nxpk= 10, iat=1198,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 77 PHE HA 78 VAL HN 3.50 (# 4590:10 Preassigned 3.50, 3.55 A) &rst ixpk= 4590, nxpk= 10, iat=1162,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 ALA QB 54 VAL HN 4.50 (# 4593:10 Preassigned 3.28, 4.14 A) &rst ixpk= 4593, nxpk= 10, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 802, 803, 804, &end # # 59 LYS HG2 59 LYS HN 3.50 (# 4594:10 Preassigned 2.37, 2.63 A) &rst ixpk= 4594, nxpk= 10, iat= 903, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 LEU HG 32 GLU HN 4.50 (# 4595:10 Preassigned 5.25, 5.75 A) &rst ixpk= 4595, nxpk= 10, iat= 401, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 GLU HA 26 GLN HN 4.50 (# 4602:10 Double Ambig) &rst ixpk= 4602, nxpk= 10, iat= 318, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 126 GLY HN 127 GLU HN 6.00 (# 5112:10 Preassigned 2.66, 2.75 A) &rst ixpk= 5112, nxpk= 10, iat=1908,1915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 126 GLY HN 125 LYS HN 4.50 (# 5113:10 Preassigned 2.93, 3.11 A) &rst ixpk= 5113, nxpk= 10, iat=1908,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 164 VAL HN 123 LEU HN 4.50 (# 5118:10 Unique 2.99, 3.49 A) &rst ixpk= 5118, nxpk= 10, iat=2490,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 164 VAL HN 165 ASP HN 6.00 (# 5121:10 Preassigned 4.08, 4.25 A) &rst ixpk= 5121, nxpk= 10, iat=2490,2506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 174 ALA HN 175 ALA HN 4.50 (# 5164:10 Preassigned 2.82, 2.90 A) &rst ixpk= 5164, nxpk= 10, iat=2655,2665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 174 ALA HN 173 VAL HN 4.50 (# 5171:10 Preassigned 2.76, 2.92 A) &rst ixpk= 5171, nxpk= 10, iat=2655,2639, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 111 SER HN 112 ARG HN 6.00 (# 5186:10 Preassigned 1.89, 3.24 A) &rst ixpk= 5186, nxpk= 10, iat=1690,1701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 111 SER HN 110 PHE HN 4.50 (# 5189:10 Preassigned 2.50, 2.98 A) &rst ixpk= 5189, nxpk= 10, iat=1690,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 128 LEU HN 129 LYS HN 6.00 (# 5196:10 Preassigned 2.52, 2.89 A) &rst ixpk= 5196, nxpk= 10, iat=1930,1949, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 101 ALA HN 100 GLU HN 4.50 (# 5203:10 Single 0.00, 0.00) &rst ixpk= 5203, nxpk= 10, iat=1543,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 169 PHE HN 168 GLU HN 3.50 (# 5205:10 Preassigned 2.21, 2.34 A) &rst ixpk= 5205, nxpk= 10, iat=2564,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HN 170 ILE HN 4.50 (# 5211:10 Unique 2.69, 2.88 A) &rst ixpk= 5211, nxpk= 10, iat=2564,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 128 LEU HN 127 GLU HN 4.50 (# 5225:10 Preassigned 2.12, 2.27 A) &rst ixpk= 5225, nxpk= 10, iat=1930,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 165 ASP HN 166 PHE HN 4.50 (# 5241:10 Preassigned 4.54, 4.63 A) &rst ixpk= 5241, nxpk= 10, iat=2506,2518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 GLU HN 134 LYS HN 4.50 (# 5258:10 Preassigned 2.34, 3.22 A) &rst ixpk= 5258, nxpk= 10, iat=2060,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE HN 167 SER HN 4.50 (# 5265:10 Preassigned 2.70, 2.85 A) &rst ixpk= 5265, nxpk= 10, iat=2518,2538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET HN 133 GLU HN 4.50 (# 5277:10 Preassigned 2.34, 3.76 A) &rst ixpk= 5277, nxpk= 10, iat=2006,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 GLN HN 122 THR HN 4.50 (# 5294:10 Preassigned 1.97, 3.44 A) &rst ixpk= 5294, nxpk= 10, iat=1822,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS HN 126 GLY HN 4.50 (# 5300:10 Preassigned 2.93, 3.11 A) &rst ixpk= 5300, nxpk= 10, iat=1886,1908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 173 VAL HN 172 PHE HN 4.50 (# 5392:10 Preassigned 2.88, 3.03 A) &rst ixpk= 5392, nxpk= 10, iat=2639,2619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN HN 162 ALA HN 3.50 (# 5402:10 Preassigned 1.74, 1.90 A) &rst ixpk= 5402, nxpk= 10, iat=2473,2463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HN 149 VAL HN 4.50 (# 5448:10 Preassigned 2.65, 3.36 A) &rst ixpk= 5448, nxpk= 10, iat=2283,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 131 LEU HN 132 MET HN 4.50 (# 5480:10 Preassigned 2.23, 3.11 A) &rst ixpk= 5480, nxpk= 10, iat=1987,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 177 THR HN 178 SER HN 4.50 (# 5493:10 Preassigned 2.75, 2.89 A) &rst ixpk= 5493, nxpk= 10, iat=2694,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HN 165 ASP HN 4.50 (# 5503:10 Preassigned 3.63, 3.97 A) &rst ixpk= 5503, nxpk= 10, iat=2549,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HN 169 PHE HN 4.50 (# 5505:10 Preassigned 2.21, 2.34 A) &rst ixpk= 5505, nxpk= 10, iat=2549,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 133 GLU HN 132 MET HN 4.50 (# 5558:10 Preassigned 2.34, 3.76 A) &rst ixpk= 5558, nxpk= 10, iat=2023,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 167 SER HN 166 PHE HN 4.50 (# 5563:10 Preassigned 2.70, 2.85 A) &rst ixpk= 5563, nxpk= 10, iat=2538,2518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HN 101 ALA HN 4.50 (# 5586:10 Preassigned 2.13, 2.42 A) &rst ixpk= 5586, nxpk= 10, iat=1528,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 122 THR HN 121 GLN HN 6.00 (# 5588:10 Preassigned 1.97, 3.44 A) &rst ixpk= 5588, nxpk= 10, iat=1839,1822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HN 101 ALA HN 4.50 (# 5601:10 Preassigned 2.13, 2.42 A) &rst ixpk= 5601, nxpk= 10, iat=1528,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE HN 169 PHE HN 4.50 (# 5603:10 Preassigned 2.69, 2.88 A) &rst ixpk= 5603, nxpk= 10, iat=2584,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HN 99 LEU HN 6.00 (# 5605:10 Preassigned 2.21, 2.46 A) &rst ixpk= 5605, nxpk= 10, iat=1528,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HN 99 LEU HN 6.00 (# 5606:10 Preassigned 2.21, 2.46 A) &rst ixpk= 5606, nxpk= 10, iat=1528,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 144 LYS HN 145 ASP HN 3.50 (# 5609:10 Preassigned 3.04, 3.46 A) &rst ixpk= 5609, nxpk= 10, iat=2189,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 172 PHE HN 173 VAL HN 3.50 (# 5611:10 Preassigned 2.88, 3.03 A) &rst ixpk= 5611, nxpk= 10, iat=2619,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 184 PHE HN 185 GLU HN 4.50 (# 5638:10 Preassigned 2.59, 3.70 A) &rst ixpk= 5638, nxpk= 10, iat=2800,2820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 178 SER HN 177 THR HN 4.50 (# 5647:10 Preassigned 2.75, 2.89 A) &rst ixpk= 5647, nxpk= 10, iat=2708,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HN 111 SER HN 4.50 (# 5650:10 Preassigned 2.50, 2.98 A) &rst ixpk= 5650, nxpk= 10, iat=1670,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 136 LEU HN 134 LYS HN 4.50 (# 5674:10 Preassigned 3.01, 4.11 A) &rst ixpk= 5674, nxpk= 10, iat=2075,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 136 LEU HN 135 GLU HN 4.50 (# 5679:10 Preassigned 2.13, 3.01 A) &rst ixpk= 5679, nxpk= 10, iat=2075,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 115 GLY HN 114 SER HN 3.50 (# 5693:10 Preassigned 2.57, 2.82 A) &rst ixpk= 5693, nxpk= 10, iat=1757,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 MET HN 103 MET HN 6.00 (# 5723:10 Preassigned 3.12, 3.73 A) &rst ixpk= 5723, nxpk= 10, iat=1587,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 112 ARG HN 111 SER HN 4.50 (# 5725:10 Preassigned 1.89, 3.24 A) &rst ixpk= 5725, nxpk= 10, iat=1701,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 158 ALA HN 157 ASP HN 3.50 (# 5751:10 Preassigned 3.07, 3.31 A) &rst ixpk= 5751, nxpk= 10, iat=2420,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 127 GLU HN 124 THR HN 6.00 (# 5755:10 Preassigned 3.75, 4.05 A) &rst ixpk= 5755, nxpk= 10, iat=1915,1872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 139 PHE HN 138 GLY HN 4.50 (# 5767:10 Preassigned 2.73, 3.30 A) &rst ixpk= 5767, nxpk= 10, iat=2115,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 141 GLN HN 142 SER HN 3.50 (# 5779:10 Preassigned 1.76, 3.22 A) &rst ixpk= 5779, nxpk= 10, iat=2154,2171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HN 157 ASP HN 3.50 (# 5793:10 Preassigned 1.97, 2.44 A) &rst ixpk= 5793, nxpk= 10, iat=2389,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 161 ASP HN 160 GLY HN 4.50 (# 5802:10 Preassigned 1.80, 2.71 A) &rst ixpk= 5802, nxpk= 10, iat=2451,2444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 157 ASP HN 156 LEU HN 3.50 (# 5863:10 Preassigned 1.97, 2.44 A) &rst ixpk= 5863, nxpk= 10, iat=2408,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 TYR HN 112 ARG HN 3.50 (# 5868:10 Double 0.00, 0.00) &rst ixpk= 5868, nxpk= 10, iat=1725,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 157 ASP HN 158 ALA HN 3.50 (# 5869:10 Preassigned 3.07, 3.31 A) &rst ixpk= 5869, nxpk= 10, iat=2408,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HN 153 LEU HN 4.50 (# 5883:10 Preassigned 2.13, 2.65 A) &rst ixpk= 5883, nxpk= 10, iat=2317,2336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 171 VAL HN 172 PHE HN 4.50 (# 5890:10 Preassigned 2.46, 2.57 A) &rst ixpk= 5890, nxpk= 10, iat=2603,2619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 139 PHE HE1 139 PHE HN 6.00 (# 5892:10 Preassigned 4.31, 4.99 A) &rst ixpk= 5892, nxpk= 10, iat=2125,2115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 171 VAL HN 173 VAL HN 6.00 (# 5896:10 Preassigned 4.06, 4.31 A) &rst ixpk= 5896, nxpk= 10, iat=2603,2639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 110 PHE HN 6.00 (# 5915:10 Preassigned 3.47, 4.07 A) &rst ixpk= 5915, nxpk= 10, iat=2574,1670, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 173 VAL HN 6.00 (# 5918:10 Unique 4.85, 5.86 A) &rst ixpk= 5918, nxpk= 10, iat=2574,2639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 169 PHE HN 6.00 (# 5919:10 Preassigned 6.45, 6.77 A) &rst ixpk= 5919, nxpk= 10, iat=2574,2564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 134 LYS HN 133 GLU HN 4.50 (# 5928:10 Preassigned 1.99, 3.05 A) &rst ixpk= 5928, nxpk= 10, iat=2038,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS HN 135 GLU HN 4.50 (# 5931:10 Preassigned 2.34, 3.22 A) &rst ixpk= 5931, nxpk= 10, iat=2038,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 152 LEU HN 151 LYS HN 4.50 (# 5997:10 Preassigned 2.15, 2.39 A) &rst ixpk= 5997, nxpk= 10, iat=2317,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 165 ASP HA 165 ASP HN 4.50 (# 6170:10 Preassigned 2.91, 2.93 A) &rst ixpk= 6170, nxpk= 10, iat=2508,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 122 THR HA 123 LEU HN 3.50 (# 6171:10 Preassigned 2.44, 2.65 A) &rst ixpk= 6171, nxpk= 10, iat=1841,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 124 THR HA 164 VAL HN 4.50 (# 6172:10 Preassigned 3.37, 3.82 A) &rst ixpk= 6172, nxpk= 10, iat=1874,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 165 ASP HA 166 PHE HN 3.50 (# 6173:10 Preassigned 2.23, 2.45 A) &rst ixpk= 6173, nxpk= 10, iat=2508,2518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 124 THR HA 125 LYS HN 4.50 (# 6177:10 Preassigned 2.24, 2.39 A) &rst ixpk= 6177, nxpk= 10, iat=1874,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 THR HB 98 GLU HN 3.50 (# 6178:10 Preassigned 2.17, 3.37 A) &rst ixpk= 6178, nxpk= 10, iat=1484,1494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 124 THR HB 125 LYS HN 4.50 (# 6181:10 Preassigned 3.72, 3.83 A) &rst ixpk= 6181, nxpk= 10, iat=1876,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 122 THR HA 122 THR HN 4.50 (# 6301:10 Double 0.00, 0.00) &rst ixpk= 6301, nxpk= 10, iat=1841,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 159 ASN HA 159 ASN HN 4.50 (# 6304:10 Preassigned 2.78, 2.84 A) &rst ixpk= 6304, nxpk= 10, iat=2432,2430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 GLU HA 135 GLU HN 4.50 (# 6306:10 Preassigned 2.41, 2.75 A) &rst ixpk= 6306, nxpk= 10, iat=2062,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 159 ASN HA 160 GLY HN 4.50 (# 6444:10 Preassigned 3.49, 3.63 A) &rst ixpk= 6444, nxpk= 10, iat=2432,2444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 189 LEU HA 190 LYS HN 3.50 (# 6469:10 Preassigned 3.17, 3.32 A) &rst ixpk= 6469, nxpk= 10, iat=2880,2897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 164 VAL HA 164 VAL HN 3.50 (# 6484:10 Preassigned 2.47, 2.77 A) &rst ixpk= 6484, nxpk= 10, iat=2492,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN HA 125 LYS HN 4.50 (# 6490:10 Unique 4.13, 4.44 A) &rst ixpk= 6490, nxpk= 10, iat=2475,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 THR HA 98 GLU HN 3.50 (# 6501:10 Preassigned 2.27, 2.60 A) &rst ixpk= 6501, nxpk= 10, iat=1482,1494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 164 VAL HA 163 GLN HN 6.00 (# 6504:10 Preassigned 5.01, 5.18 A) &rst ixpk= 6504, nxpk= 10, iat=2492,2473, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 164 VAL HA 164 VAL HN 3.50 (# 6529:10 Preassigned 2.47, 2.77 A) &rst ixpk= 6529, nxpk= 10, iat=2492,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 155 ASP HA 155 ASP HN 3.50 (# 6533:10 Preassigned 2.79, 2.83 A) &rst ixpk= 6533, nxpk= 10, iat=2379,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 102 ALA HA 102 ALA HN 3.50 (# 6536:10 Preassigned 2.94, 2.97 A) &rst ixpk= 6536, nxpk= 10, iat=1555,1553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 181 HIS HA 184 PHE HN 3.50 (# 6547:10 Preassigned 3.10, 3.93 A) &rst ixpk= 6547, nxpk= 10, iat=2742,2800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 155 ASP HA 156 LEU HN 4.50 (# 6562:10 Preassigned 3.31, 3.37 A) &rst ixpk= 6562, nxpk= 10, iat=2379,2389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 ASP HA 155 ASP HN 3.50 (# 6565:10 Preassigned 2.79, 2.83 A) &rst ixpk= 6565, nxpk= 10, iat=2379,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 MET HA 106 ILE HN 4.50 (# 6570:10 Preassigned 3.28, 3.57 A) &rst ixpk= 6570, nxpk= 10, iat=1589,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET HA 105 MET HN 3.50 (# 6574:10 Preassigned 2.82, 2.87 A) &rst ixpk= 6574, nxpk= 10, iat=1589,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 158 ALA HA 158 ALA HN 3.50 (# 6582:10 Preassigned 2.65, 2.78 A) &rst ixpk= 6582, nxpk= 10, iat=2422,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 101 ALA HA 102 ALA HN 3.50 (# 6589:10 Preassigned 2.05, 3.04 A) &rst ixpk= 6589, nxpk= 10, iat=1545,1553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 162 ALA HA 162 ALA HN 4.50 (# 6598:10 Preassigned 2.73, 2.86 A) &rst ixpk= 6598, nxpk= 10, iat=2465,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 179 ALA HA 179 ALA HN 4.50 (# 6623:10 Preassigned 2.83, 2.91 A) &rst ixpk= 6623, nxpk= 10, iat=2721,2719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 152 LEU HA 153 LEU HN 3.50 (# 6629:10 Preassigned 3.20, 3.42 A) &rst ixpk= 6629, nxpk= 10, iat=2319,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HA 152 LEU HN 3.50 (# 6638:10 Preassigned 2.89, 2.94 A) &rst ixpk= 6638, nxpk= 10, iat=2319,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 122 THR HB 164 VAL HN 6.00 (# 6645:10 Preassigned 3.29, 3.74 A) &rst ixpk= 6645, nxpk= 10, iat=1843,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 151 LYS HA 152 LEU HN 3.50 (# 6646:10 Preassigned 3.19, 3.44 A) &rst ixpk= 6646, nxpk= 10, iat=2297,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HA 154 LYS HN 4.50 (# 6651:10 Preassigned 4.06, 4.79 A) &rst ixpk= 6651, nxpk= 10, iat=2319,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HA 140 LEU HN 3.50 (# 6652:10 Preassigned 4.12, 4.76 A) &rst ixpk= 6652, nxpk= 10, iat=2104,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 101 ALA HA 101 ALA HN 3.50 (# 6654:10 Preassigned 2.33, 2.79 A) &rst ixpk= 6654, nxpk= 10, iat=1545,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 144 LYS HA 144 LYS HN 4.50 (# 6666:10 Preassigned 2.20, 2.51 A) &rst ixpk= 6666, nxpk= 10, iat=2191,2189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 169 PHE HA 169 PHE HN 4.50 (# 6673:10 Preassigned 2.70, 2.82 A) &rst ixpk= 6673, nxpk= 10, iat=2566,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 GLU HA 99 LEU HN 4.50 (# 6679:10 Preassigned 3.43, 3.54 A) &rst ixpk= 6679, nxpk= 10, iat=1496,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 177 THR HB 178 SER HN 4.50 (# 6683:10 Preassigned 2.55, 3.53 A) &rst ixpk= 6683, nxpk= 10, iat=2698,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 185 GLU HA 185 GLU HN 3.50 (# 6685:10 Preassigned 2.88, 2.93 A) &rst ixpk= 6685, nxpk= 10, iat=2822,2820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 130 VAL HA 131 LEU HN 3.50 (# 6707:10 Preassigned 3.32, 3.40 A) &rst ixpk= 6707, nxpk= 10, iat=1973,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS HA 155 ASP HN 3.50 (# 6711:10 Preassigned 3.52, 3.56 A) &rst ixpk= 6711, nxpk= 10, iat=2357,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 122 THR HB 123 LEU HN 3.50 (# 6713:10 Preassigned 2.18, 2.32 A) &rst ixpk= 6713, nxpk= 10, iat=1843,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 148 ALA HA 152 LEU HN 3.50 (# 6716:10 Preassigned 2.48, 3.40 A) &rst ixpk= 6716, nxpk= 10, iat=2259,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 144 LYS HA 145 ASP HN 3.50 (# 6720:10 Preassigned 2.02, 2.09 A) &rst ixpk= 6720, nxpk= 10, iat=2191,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS HA 154 LYS HN 3.50 (# 6733:10 Preassigned 2.52, 2.75 A) &rst ixpk= 6733, nxpk= 10, iat=2357,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 140 LEU HA 140 LEU HN 3.50 (# 6734:10 Preassigned 2.75, 2.93 A) &rst ixpk= 6734, nxpk= 10, iat=2137,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 188 GLY QA 185 GLU HN 3.50 (# 6750:10 Double 0.00, 0.00) &rst ixpk= 6750, nxpk= 10, iat= -1,2820, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2873,2874, &end # # 175 ALA HA 175 ALA HN 3.50 (# 6751:10 Preassigned 2.93, 2.96 A) &rst ixpk= 6751, nxpk= 10, iat=2667,2665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 115 GLY QA 117 GLU HN 4.50 (# 6754:10 Preassigned 3.00, 4.96 A) &rst ixpk= 6754, nxpk= 10, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1759,1760, &end # # 153 LEU HA 156 LEU HN 3.50 (# 6762:10 Preassigned 3.68, 4.00 A) &rst ixpk= 6762, nxpk= 10, iat=2338,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 121 GLN HA 120 THR HN 3.50 (# 6789:10 Preassigned 2.13, 4.11 A) &rst ixpk= 6789, nxpk= 10, iat=1824,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 SER HA 116 SER HN 3.50 (# 6795:10 Preassigned 2.26, 2.65 A) &rst ixpk= 6795, nxpk= 10, iat=1766,1764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 157 ASP HA 157 ASP HN 3.50 (# 6796:10 Preassigned 2.48, 2.67 A) &rst ixpk= 6796, nxpk= 10, iat=2410,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 96 MET HA 97 THR HN 4.50 (# 6799:10 Preassigned 2.28, 2.60 A) &rst ixpk= 6799, nxpk= 10, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 ASP HA 151 LYS HN 4.50 (# 6816:10 Preassigned 3.47, 3.50 A) &rst ixpk= 6816, nxpk= 10, iat=2285,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 158 ALA HA 159 ASN HN 3.50 (# 6818:10 Preassigned 3.45, 3.48 A) &rst ixpk= 6818, nxpk= 10, iat=2422,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS HA 133 GLU HN 4.50 (# 6821:10 Preassigned 2.24, 4.22 A) &rst ixpk= 6821, nxpk= 10, iat=2040,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS HA 134 LYS HN 3.50 (# 6825:10 Preassigned 2.29, 2.71 A) &rst ixpk= 6825, nxpk= 10, iat=2040,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 179 ALA HA 180 SER HN 4.50 (# 6833:10 Preassigned 3.29, 3.49 A) &rst ixpk= 6833, nxpk= 10, iat=2721,2729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 120 THR HB 163 GLN HE22 6.00 (# 6839:10 Preassigned 5.67, 6.10 A) &rst ixpk= 6839, nxpk= 10, iat=1812,2486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 152 LEU HA 151 LYS HN 4.50 (# 6841:10 Preassigned 4.75, 5.03 A) &rst ixpk= 6841, nxpk= 10, iat=2319,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 141 GLN HA 141 GLN HN 3.50 (# 6850:10 Preassigned 2.19, 2.36 A) &rst ixpk= 6850, nxpk= 10, iat=2156,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 177 THR HB 177 THR HN 4.50 (# 6854:10 Preassigned 2.09, 2.81 A) &rst ixpk= 6854, nxpk= 10, iat=2698,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 SER HA 114 SER HN 3.50 (# 6857:10 Preassigned 2.74, 2.86 A) &rst ixpk= 6857, nxpk= 10, iat=1748,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 101 ALA HA 103 MET HN 6.00 (# 6858:10 Preassigned 3.81, 4.86 A) &rst ixpk= 6858, nxpk= 10, iat=1545,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 112 ARG HA 113 TYR HN 3.50 (# 6877:10 Preassigned 3.27, 3.48 A) &rst ixpk= 6877, nxpk= 10, iat=1703,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 142 SER QB 142 SER HN 3.50 (# 6880:10 Preassigned 2.38, 2.86 A) &rst ixpk= 6880, nxpk= 10, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2175,2176, &end # # 143 GLY QA 142 SER HN 3.50 (# 6881:10 Preassigned 2.15, 3.34 A) &rst ixpk= 6881, nxpk= 10, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2184,2185, &end # # 114 SER HA 114 SER HN 3.50 (# 6887:10 Preassigned 2.74, 2.86 A) &rst ixpk= 6887, nxpk= 10, iat=1748,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 115 GLY QA 111 SER HN 4.50 (# 6889:10 Unique 1.85, 4.40 A) &rst ixpk= 6889, nxpk= 10, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1759,1760, &end # # 148 ALA HA 151 LYS HN 4.50 (# 6895:10 Unique 2.84, 3.13 A) &rst ixpk= 6895, nxpk= 10, iat=2259,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 175 ALA HA 177 THR HN 4.50 (# 6896:10 Preassigned 4.15, 4.43 A) &rst ixpk= 6896, nxpk= 10, iat=2667,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HA 141 GLN HN 3.50 (# 6904:10 Double 0.00, 0.00) &rst ixpk= 6904, nxpk= 10, iat=2137,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 119 SER HB2 119 SER HN 3.50 (# 6907:10 Preassigned 2.51, 3.08 A) &rst ixpk= 6907, nxpk= 10, iat=1801,1797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 SER QB 116 SER HN 3.50 (# 6908:10 Preassigned 3.06, 3.64 A) &rst ixpk= 6908, nxpk= 10, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1768,1769, &end # # 119 SER HA 118 GLY HN 3.50 (# 6934:10 Preassigned 3.63, 3.76 A) &rst ixpk= 6934, nxpk= 10, iat=1799,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 115 GLY QA 115 GLY HN 3.50 (# 6938:10 Preassigned 2.26, 2.57 A) &rst ixpk= 6938, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1759,1760, &end # # 118 GLY HA2 118 GLY HN 3.50 (# 6941:10 Preassigned 2.57, 2.78 A) &rst ixpk= 6941, nxpk= 10, iat=1792,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 138 GLY QA 139 PHE HN 3.50 (# 6949:10 Preassigned 2.35, 3.39 A) &rst ixpk= 6949, nxpk= 10, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2110,2111, &end # # 104 GLY HA2 106 ILE HN 4.50 (# 6952:10 Preassigned 3.16, 4.30 A) &rst ixpk= 6952, nxpk= 10, iat=1582,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 153 LEU HA 154 LYS HN 3.50 (# 6953:10 Preassigned 3.53, 3.59 A) &rst ixpk= 6953, nxpk= 10, iat=2338,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 149 VAL HA 152 LEU HN 4.50 (# 6957:10 Preassigned 3.11, 3.66 A) &rst ixpk= 6957, nxpk= 10, iat=2269,2317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 154 LYS HA 155 ASP HN 3.50 (# 6959:10 Preassigned 3.52, 3.56 A) &rst ixpk= 6959, nxpk= 10, iat=2357,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 LEU HA 131 LEU HN 4.50 (# 6960:10 Preassigned 3.56, 3.87 A) &rst ixpk= 6960, nxpk= 10, iat=1932,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HA 172 PHE HN 4.50 (# 6961:10 Preassigned 3.88, 4.19 A) &rst ixpk= 6961, nxpk= 10, iat=2551,2619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 153 LEU HA 153 LEU HN 3.50 (# 6963:10 Preassigned 2.40, 2.73 A) &rst ixpk= 6963, nxpk= 10, iat=2338,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HA 156 LEU HN 3.50 (# 6964:10 Preassigned 2.09, 2.79 A) &rst ixpk= 6964, nxpk= 10, iat=2391,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 188 GLY QA 185 GLU HN 3.50 (# 6968:10 Double 0.00, 0.00) &rst ixpk= 6968, nxpk= 10, iat= -1,2820, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2873,2874, &end # # 160 GLY QA 162 ALA HN 4.50 (# 6969:10 Preassigned 5.03, 6.37 A) &rst ixpk= 6969, nxpk= 10, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2446,2447, &end # # 128 LEU HA 128 LEU HN 4.50 (# 6972:10 Preassigned 2.74, 2.81 A) &rst ixpk= 6972, nxpk= 10, iat=1932,1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HA 168 GLU HN 3.50 (# 6973:10 Preassigned 2.91, 2.96 A) &rst ixpk= 6973, nxpk= 10, iat=2551,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HA 169 PHE HN 4.50 (# 6985:10 Preassigned 3.49, 3.51 A) &rst ixpk= 6985, nxpk= 10, iat=2551,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 138 GLY QA 141 GLN HN 3.50 (# 6996:10 Preassigned 2.51, 4.39 A) &rst ixpk= 6996, nxpk= 10, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2110,2111, &end # # 104 GLY HA3 106 ILE HN 4.50 (# 7018:10 Preassigned 3.16, 4.50 A) &rst ixpk= 7018, nxpk= 10, iat=1583,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 175 ALA HA 176 ILE HN 3.50 (# 7022:10 Preassigned 3.50, 3.59 A) &rst ixpk= 7022, nxpk= 10, iat=2667,2675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 SER QB 117 GLU HN 3.50 (# 7026:10 Double 0.00, 0.00) &rst ixpk= 7026, nxpk= 10, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1768,1769, &end # # 104 GLY HA3 105 MET HN 3.50 (# 7031:10 Preassigned 2.87, 3.25 A) &rst ixpk= 7031, nxpk= 10, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 104 GLY HA3 108 ASP HN 6.00 (# 7049:10 Preassigned 3.84, 4.60 A) &rst ixpk= 7049, nxpk= 10, iat=1583,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 176 ILE HA 179 ALA HN 4.50 (# 7050:10 Preassigned 2.65, 2.92 A) &rst ixpk= 7050, nxpk= 10, iat=2677,2719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE HA 176 ILE HN 4.50 (# 7055:10 Preassigned 2.86, 2.88 A) &rst ixpk= 7055, nxpk= 10, iat=2677,2675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ILE HA 106 ILE HN 4.50 (# 7064:10 Preassigned 2.72, 2.90 A) &rst ixpk= 7064, nxpk= 10, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET HA 132 MET HN 4.50 (# 7066:10 Preassigned 2.09, 2.59 A) &rst ixpk= 7066, nxpk= 10, iat=2008,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 VAL HA 110 PHE HN 3.50 (# 7074:10 Preassigned 2.84, 3.34 A) &rst ixpk= 7074, nxpk= 10, iat=1656,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 129 LYS HA 132 MET HN 4.50 (# 7089:10 Preassigned 3.16, 4.07 A) &rst ixpk= 7089, nxpk= 10, iat=1951,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ILE HA 106 ILE HN 4.50 (# 7093:10 Preassigned 2.72, 2.90 A) &rst ixpk= 7093, nxpk= 10, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HA 100 GLU HN 4.50 (# 7099:10 Preassigned 2.89, 2.94 A) &rst ixpk= 7099, nxpk= 10, iat=1530,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HD2 136 LEU HN 4.50 (# 7105:10 Preassigned 3.28, 3.90 A) &rst ixpk= 7105, nxpk= 10, iat=2095,2075, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 165 ASP HB2 165 ASP HN 4.50 (# 7108:10 Preassigned 2.27, 2.52 A) &rst ixpk= 7108, nxpk= 10, iat=2510,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE HA 166 PHE HN 3.50 (# 7109:10 Preassigned 2.75, 2.83 A) &rst ixpk= 7109, nxpk= 10, iat=2520,2518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HB2 169 PHE HN 3.50 (# 7114:10 Preassigned 2.22, 2.53 A) &rst ixpk= 7114, nxpk= 10, iat=2568,2564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HA 157 ASP HN 3.50 (# 7123:10 Preassigned 2.31, 3.34 A) &rst ixpk= 7123, nxpk= 10, iat=2391,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 151 LYS HA 151 LYS HN 3.50 (# 7130:10 Preassigned 2.88, 2.95 A) &rst ixpk= 7130, nxpk= 10, iat=2297,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 160 GLY QA 161 ASP HN 3.50 (# 7131:10 Preassigned 2.36, 3.13 A) &rst ixpk= 7131, nxpk= 10, iat= -1,2451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2446,2447, &end # # 119 SER HB2 120 THR HN 3.50 (# 7141:10 Preassigned 1.83, 3.16 A) &rst ixpk= 7141, nxpk= 10, iat=1801,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 119 SER HB2 163 GLN HE22 6.00 (# 7143:10 Preassigned 4.35, 4.92 A) &rst ixpk= 7143, nxpk= 10, iat=1801,2486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 156 LEU HA 159 ASN HN 3.50 (# 7145:10 Preassigned 4.05, 4.25 A) &rst ixpk= 7145, nxpk= 10, iat=2391,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 118 GLY HA3 122 THR HN 6.00 (# 7154:10 Unique 4.69, 6.27 A) &rst ixpk= 7154, nxpk= 10, iat=1793,1839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 119 SER HB3 119 SER HN 3.50 (# 7156:10 Preassigned 2.45, 3.07 A) &rst ixpk= 7156, nxpk= 10, iat=1802,1797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HA 133 GLU HN 3.50 (# 7159:10 Preassigned 2.14, 2.73 A) &rst ixpk= 7159, nxpk= 10, iat=2025,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HA 134 LYS HN 4.50 (# 7166:10 Preassigned 3.07, 3.36 A) &rst ixpk= 7166, nxpk= 10, iat=2025,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 115 GLY QA 116 SER HN 3.50 (# 7168:10 Preassigned 2.94, 3.26 A) &rst ixpk= 7168, nxpk= 10, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1759,1760, &end # # 176 ILE HA 180 SER HN 4.50 (# 7175:10 Preassigned 3.20, 3.88 A) &rst ixpk= 7175, nxpk= 10, iat=2677,2729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET HA 133 GLU HN 3.50 (# 7176:10 Preassigned 3.23, 3.44 A) &rst ixpk= 7176, nxpk= 10, iat=2008,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 176 ILE HA 177 THR HN 3.50 (# 7185:10 Preassigned 3.49, 3.52 A) &rst ixpk= 7185, nxpk= 10, iat=2677,2694, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 110 PHE HA 111 SER HN 4.50 (# 7196:10 Preassigned 2.23, 2.98 A) &rst ixpk= 7196, nxpk= 10, iat=1672,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 SER HB2 114 SER HN 4.50 (# 7197:10 Preassigned 2.35, 3.07 A) &rst ixpk= 7197, nxpk= 10, iat=1750,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE HA 167 SER HN 4.50 (# 7202:10 Preassigned 3.49, 3.54 A) &rst ixpk= 7202, nxpk= 10, iat=2520,2538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 143 GLY QA 143 GLY HN 3.50 (# 7203:10 Preassigned 2.20, 2.60 A) &rst ixpk= 7203, nxpk= 10, iat= -1,2182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2184,2185, &end # # 160 GLY QA 160 GLY HN 3.50 (# 7204:10 Preassigned 2.44, 2.81 A) &rst ixpk= 7204, nxpk= 10, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2446,2447, &end # # 118 GLY HA3 118 GLY HN 3.50 (# 7207:10 Preassigned 2.69, 2.85 A) &rst ixpk= 7207, nxpk= 10, iat=1793,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 125 LYS HA 126 GLY HN 3.50 (# 7212:10 Preassigned 3.51, 3.57 A) &rst ixpk= 7212, nxpk= 10, iat=1888,1908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 170 ILE HA 170 ILE HN 3.50 (# 7237:10 Preassigned 2.81, 2.88 A) &rst ixpk= 7237, nxpk= 10, iat=2586,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 170 ILE HA 171 VAL HN 3.50 (# 7241:10 Preassigned 3.47, 3.52 A) &rst ixpk= 7241, nxpk= 10, iat=2586,2603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 110 PHE HB2 110 PHE HN 4.50 (# 7242:10 Preassigned 2.55, 3.08 A) &rst ixpk= 7242, nxpk= 10, iat=1674,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 172 PHE HB2 169 PHE HN 4.50 (# 7256:10 Preassigned 4.73, 5.37 A) &rst ixpk= 7256, nxpk= 10, iat=2623,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 139 PHE QB 139 PHE HN 3.50 (# 7257:10 Preassigned 2.13, 2.93 A) &rst ixpk= 7257, nxpk= 10, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2119,2120, &end # # 139 PHE QB 140 LEU HN 4.50 (# 7261:10 Preassigned 2.23, 3.51 A) &rst ixpk= 7261, nxpk= 10, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2119,2120, &end # # 169 PHE HB3 170 ILE HN 3.50 (# 7269:10 Preassigned 2.41, 2.80 A) &rst ixpk= 7269, nxpk= 10, iat=2569,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 172 PHE HB3 173 VAL HN 3.50 (# 7270:10 Preassigned 2.25, 2.96 A) &rst ixpk= 7270, nxpk= 10, iat=2624,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HB3 169 PHE HN 3.50 (# 7275:10 Preassigned 2.17, 2.35 A) &rst ixpk= 7275, nxpk= 10, iat=2569,2564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 172 PHE HB2 172 PHE HN 3.50 (# 7276:10 Preassigned 2.15, 2.61 A) &rst ixpk= 7276, nxpk= 10, iat=2623,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 108 ASP HB2 108 ASP HN 3.50 (# 7295:10 Preassigned 2.34, 2.74 A) &rst ixpk= 7295, nxpk= 10, iat=1646,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 145 ASP HB2 146 LYS HN 4.50 (# 7297:10 Preassigned 3.24, 3.92 A) &rst ixpk= 7297, nxpk= 10, iat=2215,2223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 ASP HB2 155 ASP HN 3.50 (# 7300:10 Preassigned 2.20, 2.41 A) &rst ixpk= 7300, nxpk= 10, iat=2381,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 155 ASP HB3 155 ASP HN 3.50 (# 7307:10 Preassigned 2.27, 3.31 A) &rst ixpk= 7307, nxpk= 10, iat=2382,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 108 ASP HB3 106 ILE HN 4.50 (# 7309:10 Preassigned 3.91, 4.83 A) &rst ixpk= 7309, nxpk= 10, iat=1647,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 145 ASP HB2 145 ASP HN 3.50 (# 7311:10 Preassigned 2.11, 2.98 A) &rst ixpk= 7311, nxpk= 10, iat=2215,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 155 ASP HB2 156 LEU HN 4.50 (# 7312:10 Preassigned 2.11, 3.13 A) &rst ixpk= 7312, nxpk= 10, iat=2381,2389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET QB 106 ILE HN 3.50 (# 7316:10 Preassigned 3.25, 3.90 A) &rst ixpk= 7316, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1591,1592, &end # # 110 PHE HB3 110 PHE HN 3.50 (# 7318:10 Preassigned 2.23, 2.45 A) &rst ixpk= 7318, nxpk= 10, iat=1675,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 MET QB 105 MET HN 3.50 (# 7321:10 Preassigned 1.99, 2.62 A) &rst ixpk= 7321, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1591,1592, &end # # 150 ASP HB2 146 LYS HN 4.50 (# 7336:10 Preassigned 4.28, 4.83 A) &rst ixpk= 7336, nxpk= 10, iat=2287,2223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HG2 101 ALA HN 4.50 (# 7342:10 Preassigned 2.37, 4.18 A) &rst ixpk= 7342, nxpk= 10, iat=1535,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 ASP HB2 150 ASP HN 3.50 (# 7348:10 Preassigned 2.24, 3.01 A) &rst ixpk= 7348, nxpk= 10, iat=2287,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 161 ASP HB3 162 ALA HN 4.50 (# 7355:10 Preassigned 1.88, 2.20 A) &rst ixpk= 7355, nxpk= 10, iat=2456,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE QB 166 PHE HN 3.50 (# 7359:10 Preassigned 2.43, 3.14 A) &rst ixpk= 7359, nxpk= 10, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2522,2523, &end # # 145 ASP HB3 145 ASP HN 3.50 (# 7361:10 Preassigned 2.48, 2.69 A) &rst ixpk= 7361, nxpk= 10, iat=2216,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 100 GLU HG2 100 GLU HN 4.50 (# 7362:10 Preassigned 2.46, 3.12 A) &rst ixpk= 7362, nxpk= 10, iat=1535,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HG2 101 ALA HN 4.50 (# 7373:10 Preassigned 2.37, 4.18 A) &rst ixpk= 7373, nxpk= 10, iat=1535,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HG2 100 GLU HN 4.50 (# 7377:10 Preassigned 2.46, 3.12 A) &rst ixpk= 7377, nxpk= 10, iat=1535,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 145 ASP HB3 146 LYS HN 4.50 (# 7378:10 Preassigned 3.62, 3.95 A) &rst ixpk= 7378, nxpk= 10, iat=2216,2223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET HG2 105 MET HN 3.50 (# 7381:10 Preassigned 3.79, 4.09 A) &rst ixpk= 7381, nxpk= 10, iat=1594,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HG2 168 GLU HN 3.50 (# 7384:10 Preassigned 2.95, 3.30 A) &rst ixpk= 7384, nxpk= 10, iat=2556,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 MET HG3 106 ILE HN 4.50 (# 7386:10 Preassigned 4.02, 4.95 A) &rst ixpk= 7386, nxpk= 10, iat=1571,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HD3 111 SER HN 4.50 (# 7387:10 Preassigned 5.13, 6.88 A) &rst ixpk= 7387, nxpk= 10, iat=1712,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 159 ASN HB2 159 ASN HN 3.50 (# 7396:10 Preassigned 2.03, 3.18 A) &rst ixpk= 7396, nxpk= 10, iat=2434,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 114 SER HB3 114 SER HN 4.50 (# 7403:10 Preassigned 2.09, 2.60 A) &rst ixpk= 7403, nxpk= 10, iat=1751,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB3 111 SER HN 4.50 (# 7404:10 Preassigned 2.41, 3.36 A) &rst ixpk= 7404, nxpk= 10, iat=1675,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 TYR HB2 113 TYR HN 3.50 (# 7406:10 Preassigned 2.05, 2.98 A) &rst ixpk= 7406, nxpk= 10, iat=1729,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HB2 151 LYS HN 4.50 (# 7407:10 Preassigned 2.11, 2.71 A) &rst ixpk= 7407, nxpk= 10, iat=2287,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 161 ASP HB3 161 ASP HN 3.50 (# 7411:10 Preassigned 2.75, 2.95 A) &rst ixpk= 7411, nxpk= 10, iat=2456,2451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 157 ASP QB 157 ASP HN 3.50 (# 7417:10 Preassigned 1.98, 2.74 A) &rst ixpk= 7417, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2412,2413, &end # # 103 MET HG2 103 MET HN 4.50 (# 7419:10 Preassigned 4.31, 4.42 A) &rst ixpk= 7419, nxpk= 10, iat=1570,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE QB 167 SER HN 4.50 (# 7425:10 Preassigned 3.29, 3.99 A) &rst ixpk= 7425, nxpk= 10, iat= -1,2538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2522,2523, &end # # 159 ASN HB3 159 ASN HN 3.50 (# 7431:10 Preassigned 1.96, 2.32 A) &rst ixpk= 7431, nxpk= 10, iat=2435,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU QG 134 LYS HN 4.50 (# 7437:10 Preassigned 4.75, 5.25 A) &rst ixpk= 7437, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2030,2031, &end # # 112 ARG HB3 114 SER HN 6.00 (# 7439:10 Preassigned 5.49, 6.17 A) &rst ixpk= 7439, nxpk= 10, iat=1706,1746, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 113 TYR HB3 113 TYR HN 3.50 (# 7440:10 Preassigned 2.15, 2.70 A) &rst ixpk= 7440, nxpk= 10, iat=1730,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU QG 133 GLU HN 3.50 (# 7442:10 Preassigned 2.10, 3.27 A) &rst ixpk= 7442, nxpk= 10, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2030,2031, &end # # 135 GLU QG 134 LYS HN 4.50 (# 7444:10 Preassigned 4.16, 5.51 A) &rst ixpk= 7444, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2067,2068, &end # # 103 MET HG2 104 GLY HN 6.00 (# 7449:10 Preassigned 1.65, 3.62 A) &rst ixpk= 7449, nxpk= 10, iat=1570,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 MET HG3 104 GLY HN 6.00 (# 7450:10 Preassigned 2.51, 3.60 A) &rst ixpk= 7450, nxpk= 10, iat=1571,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 159 ASN HB3 160 GLY HN 6.00 (# 7451:10 Preassigned 3.70, 4.29 A) &rst ixpk= 7451, nxpk= 10, iat=2435,2444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 105 MET HG2 104 GLY HN 6.00 (# 7452:10 Preassigned 5.24, 6.36 A) &rst ixpk= 7452, nxpk= 10, iat=1594,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 98 GLU HG3 98 GLU HN 4.50 (# 7469:10 Preassigned 3.24, 3.50 A) &rst ixpk= 7469, nxpk= 10, iat=1502,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 VAL HB 109 VAL HN 3.50 (# 7473:10 Preassigned 2.14, 2.33 A) &rst ixpk= 7473, nxpk= 10, iat=1658,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN HG2 163 GLN HN 3.50 (# 7475:10 Preassigned 3.60, 3.92 A) &rst ixpk= 7475, nxpk= 10, iat=2480,2473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 127 GLU QG 127 GLU HN 3.50 (# 7476:10 Preassigned 2.33, 4.00 A) &rst ixpk= 7476, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1922,1923, &end # # 163 GLN HG3 162 ALA HN 4.50 (# 7477:10 Preassigned 4.47, 4.90 A) &rst ixpk= 7477, nxpk= 10, iat=2481,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET HG3 131 LEU HN 4.50 (# 7482:10 Preassigned 3.85, 4.87 A) &rst ixpk= 7482, nxpk= 10, iat=2014,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 VAL HB 110 PHE HN 3.50 (# 7485:10 Preassigned 2.86, 3.61 A) &rst ixpk= 7485, nxpk= 10, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 MET HG3 132 MET HN 3.50 (# 7491:10 Preassigned 2.87, 3.59 A) &rst ixpk= 7491, nxpk= 10, iat=2014,2006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 185 GLU HG3 185 GLU HN 4.50 (# 7495:10 Preassigned 3.58, 4.40 A) &rst ixpk= 7495, nxpk= 10, iat=2828,2820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 149 VAL HB 150 ASP HN 3.50 (# 7501:10 Preassigned 1.90, 3.07 A) &rst ixpk= 7501, nxpk= 10, iat=2271,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 185 GLU HG2 186 LYS HN 3.50 (# 7509:10 Preassigned 3.45, 3.67 A) &rst ixpk= 7509, nxpk= 10, iat=2827,2835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 149 VAL HB 149 VAL HN 4.50 (# 7516:10 Preassigned 2.35, 2.47 A) &rst ixpk= 7516, nxpk= 10, iat=2271,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HG3 168 GLU HN 3.50 (# 7520:10 Preassigned 1.95, 2.22 A) &rst ixpk= 7520, nxpk= 10, iat=2557,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 164 VAL HB 164 VAL HN 3.50 (# 7521:10 Preassigned 2.17, 2.49 A) &rst ixpk= 7521, nxpk= 10, iat=2494,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 GLU QG 117 GLU HN 3.50 (# 7522:10 Preassigned 2.13, 3.40 A) &rst ixpk= 7522, nxpk= 10, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1782,1783, &end # # 164 VAL HB 123 LEU HN 4.50 (# 7526:10 Preassigned 2.10, 2.68 A) &rst ixpk= 7526, nxpk= 10, iat=2494,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET HG3 106 ILE HN 3.50 (# 7527:10 Preassigned 2.55, 3.30 A) &rst ixpk= 7527, nxpk= 10, iat=1595,1604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 MET HG3 102 ALA HN 4.50 (# 7531:10 Preassigned 5.36, 5.93 A) &rst ixpk= 7531, nxpk= 10, iat=1595,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ILE HB 106 ILE HN 3.50 (# 7535:10 Preassigned 2.75, 3.24 A) &rst ixpk= 7535, nxpk= 10, iat=1608,1604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 98 GLU QB 100 GLU HN 4.50 (# 7536:10 Preassigned 3.83, 4.82 A) &rst ixpk= 7536, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1498,1499, &end # # 100 GLU HB2 101 ALA HN 3.50 (# 7537:10 Preassigned 1.88, 2.90 A) &rst ixpk= 7537, nxpk= 10, iat=1532,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 LEU HB2 128 LEU HN 3.50 (# 7538:10 Preassigned 2.10, 2.60 A) &rst ixpk= 7538, nxpk= 10, iat=1934,1930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HB2 169 PHE HN 3.50 (# 7539:10 Preassigned 2.37, 2.51 A) &rst ixpk= 7539, nxpk= 10, iat=2553,2564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 98 GLU HG2 98 GLU HN 4.50 (# 7542:10 Preassigned 2.23, 2.54 A) &rst ixpk= 7542, nxpk= 10, iat=1501,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 GLU QB 99 LEU HN 3.50 (# 7553:10 Preassigned 3.03, 3.70 A) &rst ixpk= 7553, nxpk= 10, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1498,1499, &end # # 105 MET HG3 105 MET HN 3.50 (# 7559:10 Preassigned 3.57, 3.98 A) &rst ixpk= 7559, nxpk= 10, iat=1595,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 GLU HB2 117 GLU HN 3.50 (# 7570:10 Preassigned 2.79, 3.56 A) &rst ixpk= 7570, nxpk= 10, iat=1779,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HB3 158 ALA HN 3.50 (# 7580:10 Preassigned 4.58, 5.00 A) &rst ixpk= 7580, nxpk= 10, iat=2554,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 129 LYS HB2 129 LYS HN 3.50 (# 7583:10 Preassigned 2.44, 2.99 A) &rst ixpk= 7583, nxpk= 10, iat=1953,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 127 GLU QB 127 GLU HN 4.50 (# 7584:10 Preassigned 2.12, 2.72 A) &rst ixpk= 7584, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1919,1920, &end # # 168 GLU HB3 168 GLU HN 3.50 (# 7585:10 Preassigned 3.53, 3.61 A) &rst ixpk= 7585, nxpk= 10, iat=2554,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 171 VAL HB 171 VAL HN 3.50 (# 7587:10 Preassigned 2.33, 2.72 A) &rst ixpk= 7587, nxpk= 10, iat=2607,2603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HB3 169 PHE HN 4.50 (# 7590:10 Preassigned 3.58, 3.71 A) &rst ixpk= 7590, nxpk= 10, iat=2554,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 185 GLU HB2 185 GLU HN 3.50 (# 7598:10 Preassigned 2.09, 2.86 A) &rst ixpk= 7598, nxpk= 10, iat=2824,2820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 171 VAL HB 172 PHE HN 3.50 (# 7608:10 Preassigned 2.69, 2.84 A) &rst ixpk= 7608, nxpk= 10, iat=2607,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN QB 163 GLN HN 3.50 (# 7611:10 Preassigned 2.26, 2.95 A) &rst ixpk= 7611, nxpk= 10, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2477,2478, &end # # 125 LYS HB2 125 LYS HN 4.50 (# 7615:10 Preassigned 2.35, 2.49 A) &rst ixpk= 7615, nxpk= 10, iat=1890,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 144 LYS QB 146 LYS HN 3.50 (# 7623:10 Preassigned 3.15, 4.44 A) &rst ixpk= 7623, nxpk= 10, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2193,2194, &end # # 168 GLU HB3 158 ALA HN 3.50 (# 7624:10 Preassigned 4.95, 5.46 A) &rst ixpk= 7624, nxpk= 10, iat=2554,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS QB 154 LYS HN 3.50 (# 7628:10 Preassigned 2.27, 3.05 A) &rst ixpk= 7628, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2359,2360, &end # # 153 LEU HB2 153 LEU HN 3.50 (# 7630:10 Preassigned 2.29, 2.61 A) &rst ixpk= 7630, nxpk= 10, iat=2340,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 GLU HB3 117 GLU HN 3.50 (# 7634:10 Preassigned 2.09, 2.79 A) &rst ixpk= 7634, nxpk= 10, iat=1780,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 112 ARG HB3 112 ARG HN 3.50 (# 7638:10 Preassigned 3.19, 3.50 A) &rst ixpk= 7638, nxpk= 10, iat=1706,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS QB 155 ASP HN 3.50 (# 7643:10 Preassigned 2.44, 3.01 A) &rst ixpk= 7643, nxpk= 10, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2359,2360, &end # # 132 MET QB 136 LEU HN 3.50 (# 7663:10 Preassigned 4.31, 5.31 A) &rst ixpk= 7663, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2010,2011, &end # # 151 LYS QB 152 LEU HN 3.50 (# 7667:10 Preassigned 2.79, 3.59 A) &rst ixpk= 7667, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2299,2300, &end # # 100 GLU HB3 100 GLU HN 3.50 (# 7677:10 Preassigned 4.29, 5.58 A) &rst ixpk= 7677, nxpk= 10, iat=1533,1528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 151 LYS QB 149 VAL HN 4.50 (# 7678:10 Preassigned 3.68, 5.40 A) &rst ixpk= 7678, nxpk= 10, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2299,2300, &end # # 107 ILE HB 108 ASP HN 3.50 (# 7682:10 Preassigned 2.92, 3.22 A) &rst ixpk= 7682, nxpk= 10, iat=1627,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 131 LEU HB2 132 MET HN 3.50 (# 7687:10 Preassigned 2.21, 3.36 A) &rst ixpk= 7687, nxpk= 10, iat=1991,2006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HG 152 LEU HN 3.50 (# 7694:10 Preassigned 2.40, 3.49 A) &rst ixpk= 7694, nxpk= 10, iat=2324,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 129 LYS HB3 129 LYS HN 3.50 (# 7696:10 Preassigned 2.14, 2.23 A) &rst ixpk= 7696, nxpk= 10, iat=1954,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 102 ALA QB 102 ALA HN 3.50 (# 7707:10 Preassigned 2.47, 3.14 A) &rst ixpk= 7707, nxpk= 10, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1557,1558,1559, &end # # 186 LYS HB3 184 PHE HN 3.50 (# 7709:10 Preassigned 2.70, 3.89 A) &rst ixpk= 7709, nxpk= 10, iat=2840,2800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HG 153 LEU HN 4.50 (# 7725:10 Preassigned 4.14, 4.47 A) &rst ixpk= 7725, nxpk= 10, iat=2324,2336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HB2 140 LEU HN 3.50 (# 7726:10 Preassigned 2.33, 2.47 A) &rst ixpk= 7726, nxpk= 10, iat=2139,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 141 GLN QG 141 GLN HN 3.50 (# 7729:10 Preassigned 2.05, 3.22 A) &rst ixpk= 7729, nxpk= 10, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2161,2162, &end # # 133 GLU QG 133 GLU HN 3.50 (# 7734:10 Preassigned 2.10, 3.27 A) &rst ixpk= 7734, nxpk= 10, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2030,2031, &end # # 113 TYR HB3 114 SER HN 4.50 (# 7741:10 Preassigned 2.60, 3.07 A) &rst ixpk= 7741, nxpk= 10, iat=1730,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU QG 124 THR HN 4.50 (# 7748:10 Preassigned 2.13, 4.11 A) &rst ixpk= 7748, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1922,1923, &end # # 121 GLN QG 122 THR HN 4.50 (# 7756:10 Preassigned 3.12, 4.73 A) &rst ixpk= 7756, nxpk= 10, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1829,1830, &end # # 96 MET QB 97 THR HN 4.50 (# 7763:10 Preassigned 3.74, 4.51 A) &rst ixpk= 7763, nxpk= 10, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1467,1468, &end # # 163 GLN HG3 124 THR HN 4.50 (# 7766:10 Preassigned 4.54, 5.25 A) &rst ixpk= 7766, nxpk= 10, iat=2481,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 GLN HB2 122 THR HN 4.50 (# 7770:10 Preassigned 3.78, 4.15 A) &rst ixpk= 7770, nxpk= 10, iat=1826,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HB2 138 GLY HN 4.50 (# 7774:10 Preassigned 3.46, 4.05 A) &rst ixpk= 7774, nxpk= 10, iat=2101,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 103 MET HB2 103 MET HN 3.50 (# 7776:10 Preassigned 2.27, 2.37 A) &rst ixpk= 7776, nxpk= 10, iat=1567,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 141 GLN QB 142 SER HN 3.50 (# 7777:10 Preassigned 3.10, 3.65 A) &rst ixpk= 7777, nxpk= 10, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2158,2159, &end # # 141 GLN QB 141 GLN HN 3.50 (# 7780:10 Preassigned 2.91, 3.54 A) &rst ixpk= 7780, nxpk= 10, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2158,2159, &end # # 133 GLU HB2 135 GLU HN 4.50 (# 7782:10 Preassigned 4.36, 5.64 A) &rst ixpk= 7782, nxpk= 10, iat=2027,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO QG 138 GLY HN 4.50 (# 7787:10 Preassigned 4.20, 5.00 A) &rst ixpk= 7787, nxpk= 10, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2098,2099, &end # # 121 GLN HB3 122 THR HN 4.50 (# 7788:10 Preassigned 3.45, 4.20 A) &rst ixpk= 7788, nxpk= 10, iat=1827,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 133 GLU HB2 133 GLU HN 3.50 (# 7791:10 Preassigned 2.23, 2.63 A) &rst ixpk= 7791, nxpk= 10, iat=2027,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 MET HB3 103 MET HN 3.50 (# 7796:10 Preassigned 2.36, 2.58 A) &rst ixpk= 7796, nxpk= 10, iat=1568,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS QB 135 GLU HN 3.50 (# 7799:10 Preassigned 2.01, 3.70 A) &rst ixpk= 7799, nxpk= 10, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2042,2043, &end # # 134 LYS QB 134 LYS HN 3.50 (# 7804:10 Preassigned 2.52, 3.50 A) &rst ixpk= 7804, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2042,2043, &end # # 127 GLU QB 124 THR HN 6.00 (# 7808:10 Preassigned 2.39, 3.66 A) &rst ixpk= 7808, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1919,1920, &end # # 133 GLU HB3 134 LYS HN 3.50 (# 7814:10 Preassigned 3.83, 4.24 A) &rst ixpk= 7814, nxpk= 10, iat=2028,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 176 ILE HB 177 THR HN 3.50 (# 7823:10 Preassigned 2.45, 2.85 A) &rst ixpk= 7823, nxpk= 10, iat=2679,2694, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HB2 157 ASP HN 3.50 (# 7835:10 Preassigned 3.05, 3.53 A) &rst ixpk= 7835, nxpk= 10, iat=2393,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 151 LYS QB 151 LYS HN 3.50 (# 7837:10 Preassigned 2.15, 3.04 A) &rst ixpk= 7837, nxpk= 10, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2299,2300, &end # # 137 PRO HB3 138 GLY HN 4.50 (# 7841:10 Preassigned 2.62, 3.39 A) &rst ixpk= 7841, nxpk= 10, iat=2102,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 156 LEU HB2 157 ASP HN 3.50 (# 7844:10 Preassigned 3.05, 3.53 A) &rst ixpk= 7844, nxpk= 10, iat=2393,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 140 LEU HB2 141 GLN HN 3.50 (# 7847:10 Preassigned 1.89, 2.42 A) &rst ixpk= 7847, nxpk= 10, iat=2139,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 102 ALA QB 103 MET HN 3.50 (# 7851:10 Preassigned 2.23, 3.37 A) &rst ixpk= 7851, nxpk= 10, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1557,1558,1559, &end # # 133 GLU HB2 134 LYS HN 3.50 (# 7853:10 Preassigned 2.89, 4.89 A) &rst ixpk= 7853, nxpk= 10, iat=2027,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 MET HB2 104 GLY HN 6.00 (# 7858:10 Preassigned 2.73, 3.66 A) &rst ixpk= 7858, nxpk= 10, iat=1567,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HB2 104 GLY HN 4.50 (# 7859:10 Preassigned 4.36, 5.18 A) &rst ixpk= 7859, nxpk= 10, iat=1532,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 GLU QG 118 GLY HN 4.50 (# 7861:10 Preassigned 3.63, 4.48 A) &rst ixpk= 7861, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1782,1783, &end # # 117 GLU HB2 118 GLY HN 4.50 (# 7867:10 Preassigned 2.81, 4.08 A) &rst ixpk= 7867, nxpk= 10, iat=1779,1790, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 GLU HB3 118 GLY HN 6.00 (# 7868:10 Preassigned 3.87, 5.00 A) &rst ixpk= 7868, nxpk= 10, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 102 ALA QB 104 GLY HN 6.00 (# 7870:10 Preassigned 5.02, 6.26 A) &rst ixpk= 7870, nxpk= 10, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1557,1558,1559, &end # # 190 LYS HB2 190 LYS HN 4.50 (# 7873:10 Preassigned 2.84, 3.37 A) &rst ixpk= 7873, nxpk= 10, iat=2901,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 190 LYS HG3 190 LYS HN 4.50 (# 7877:10 Preassigned 2.12, 3.87 A) &rst ixpk= 7877, nxpk= 10, iat=2905,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 129 LYS QD 129 LYS HN 3.50 (# 7891:10 Preassigned 2.95, 4.09 A) &rst ixpk= 7891, nxpk= 10, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1959,1960, &end # # 173 VAL HB 173 VAL HN 3.50 (# 7895:10 Preassigned 1.97, 2.12 A) &rst ixpk= 7895, nxpk= 10, iat=2643,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HB2 153 LEU HN 3.50 (# 7903:10 Preassigned 1.93, 3.08 A) &rst ixpk= 7903, nxpk= 10, iat=2321,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS QB 154 LYS HN 3.50 (# 7917:10 Unique 2.27, 3.05 A) &rst ixpk= 7917, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2359,2360, &end # # 189 LEU QB 189 LEU HN 3.50 (# 7921:10 Preassigned 2.23, 3.13 A) &rst ixpk= 7921, nxpk= 10, iat= -1,2878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2882,2883, &end # # 154 LYS HG2 155 ASP HN 4.50 (# 7925:10 Preassigned 4.62, 4.78 A) &rst ixpk= 7925, nxpk= 10, iat=2362,2377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 ALA QB 101 ALA HN 3.50 (# 7940:10 Preassigned 2.40, 2.95 A) &rst ixpk= 7940, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1547,1548,1549, &end # # 151 LYS QD 152 LEU HN 4.50 (# 7946:10 Preassigned 4.29, 4.69 A) &rst ixpk= 7946, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2305,2306, &end # # 186 LYS QG 185 GLU HN 6.00 (# 7950:10 Preassigned 4.39, 6.40 A) &rst ixpk= 7950, nxpk= 10, iat= -1,2820, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2842,2843, &end # # 101 ALA QB 102 ALA HN 3.50 (# 7951:10 Preassigned 3.46, 4.18 A) &rst ixpk= 7951, nxpk= 10, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1547,1548,1549, &end # # 125 LYS QG 125 LYS HN 4.50 (# 7956:10 Preassigned 4.31, 4.48 A) &rst ixpk= 7956, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1893,1894, &end # # 140 LEU HB3 140 LEU HN 3.50 (# 7965:10 Preassigned 3.49, 3.55 A) &rst ixpk= 7965, nxpk= 10, iat=2140,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 123 LEU HB2 125 LYS HN 4.50 (# 7971:10 Preassigned 5.74, 6.03 A) &rst ixpk= 7971, nxpk= 10, iat=1857,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS HG3 132 MET HN 4.50 (# 7980:10 Preassigned 2.66, 3.76 A) &rst ixpk= 7980, nxpk= 10, iat=2046,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 153 LEU HB3 154 LYS HN 3.50 (# 7981:10 Preassigned 2.20, 2.54 A) &rst ixpk= 7981, nxpk= 10, iat=2341,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 162 ALA QB 162 ALA HN 3.50 (# 7987:10 Preassigned 2.62, 3.52 A) &rst ixpk= 7987, nxpk= 10, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2467,2468,2469, &end # # 125 LYS QG 125 LYS HN 4.50 (# 7991:10 Preassigned 4.31, 4.48 A) &rst ixpk= 7991, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1893,1894, &end # # 162 ALA QB 163 GLN HN 3.50 (# 7999:10 Preassigned 2.53, 3.71 A) &rst ixpk= 7999, nxpk= 10, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2467,2468,2469, &end # # 144 LYS QG 146 LYS HN 3.50 (# 8008:10 Preassigned 2.34, 3.86 A) &rst ixpk= 8008, nxpk= 10, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2196,2197, &end # # 112 ARG HG3 112 ARG HN 3.50 (# 8010:10 Preassigned 2.12, 2.62 A) &rst ixpk= 8010, nxpk= 10, iat=1709,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 140 LEU HG 139 PHE HN 3.50 (# 8011:10 Preassigned 2.78, 4.23 A) &rst ixpk= 8011, nxpk= 10, iat=2142,2115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS HG3 155 ASP HN 4.50 (# 8014:10 Preassigned 4.52, 4.67 A) &rst ixpk= 8014, nxpk= 10, iat=2363,2377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 123 LEU HB3 123 LEU HN 4.50 (# 8017:10 Preassigned 3.72, 3.83 A) &rst ixpk= 8017, nxpk= 10, iat=1858,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 156 LEU HB3 156 LEU HN 3.50 (# 8021:10 Preassigned 3.18, 3.42 A) &rst ixpk= 8021, nxpk= 10, iat=2394,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 175 ALA QB 175 ALA HN 3.50 (# 8027:10 Preassigned 2.52, 2.97 A) &rst ixpk= 8027, nxpk= 10, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2669,2670,2671, &end # # 186 LYS QG 184 PHE HN 3.50 (# 8029:10 Preassigned 3.06, 4.76 A) &rst ixpk= 8029, nxpk= 10, iat= -1,2800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2842,2843, &end # # 186 LYS QG 186 LYS HN 3.50 (# 8032:10 Preassigned 2.50, 4.11 A) &rst ixpk= 8032, nxpk= 10, iat= -1,2835, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2842,2843, &end # # 140 LEU HG 136 LEU HN 6.00 (# 8035:10 Preassigned 5.83, 6.26 A) &rst ixpk= 8035, nxpk= 10, iat=2142,2075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 153 LEU HB3 153 LEU HN 3.50 (# 8039:10 Preassigned 2.19, 2.83 A) &rst ixpk= 8039, nxpk= 10, iat=2341,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 170 ILE HB 170 ILE HN 3.50 (# 8054:10 Preassigned 2.15, 2.33 A) &rst ixpk= 8054, nxpk= 10, iat=2588,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 LEU HB3 128 LEU HN 3.50 (# 8061:10 Preassigned 2.05, 2.32 A) &rst ixpk= 8061, nxpk= 10, iat=1935,1930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 97 THR QG 98 GLU HN 4.50 (# 8068:10 Preassigned 2.82, 4.41 A) &rst ixpk= 8068, nxpk= 10, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1486,1487,1488, &end # # 175 ALA QB 176 ILE HN 3.50 (# 8072:10 Preassigned 2.47, 3.50 A) &rst ixpk= 8072, nxpk= 10, iat= -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2669,2670,2671, &end # # 158 ALA QB 158 ALA HN 3.50 (# 8117:10 Preassigned 2.33, 3.05 A) &rst ixpk= 8117, nxpk= 10, iat= -1,2420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2424,2425,2426, &end # # 124 THR QG 125 LYS HN 4.50 (# 8127:10 Preassigned 3.22, 4.21 A) &rst ixpk= 8127, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1878,1879,1880, &end # # 120 THR QG 121 GLN HN 4.50 (# 8128:10 Preassigned 2.02, 3.92 A) &rst ixpk= 8128, nxpk= 10, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1814,1815,1816, &end # # 109 VAL QQG 112 ARG HN 4.50 (# 8129:10 Preassigned 4.02, 5.77 A) &rst ixpk= 8129, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1660,1661,1662,1664,1665,1666, &end # # 109 VAL QQG 108 ASP HN 4.50 (# 8138:10 Preassigned 4.25, 6.52 A) &rst ixpk= 8138, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1660,1661,1662,1664,1665,1666, &end # # 109 VAL QQG 110 PHE HN 3.50 (# 8144:10 Preassigned 2.51, 4.67 A) &rst ixpk= 8144, nxpk= 10, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1660,1661,1662,1664,1665,1666, &end # # 106 ILE QG1 106 ILE HN 3.50 (# 8165:10 Preassigned 2.04, 2.95 A) &rst ixpk= 8165, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1614,1615, &end # # 131 LEU HB3 132 MET HN 4.50 (# 8166:10 Preassigned 2.22, 2.67 A) &rst ixpk= 8166, nxpk= 10, iat=1992,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 128 LEU QD1 125 LYS HN 4.50 (# 8171:10 Double 0.00, 0.00) &rst ixpk= 8171, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1939,1940,1941, &end # # 122 THR QG 121 GLN HN 4.50 (# 8172:10 Preassigned 2.80, 5.76 A) &rst ixpk= 8172, nxpk= 10, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 164 VAL QG1 123 LEU HN 4.50 (# 8196:10 Preassigned 3.45, 4.41 A) &rst ixpk= 8196, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2496,2497,2498, &end # # 187 THR QG 184 PHE HN 3.50 (# 8202:10 Preassigned 3.65, 5.04 A) &rst ixpk= 8202, nxpk= 10, iat= -1,2800, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2863,2864,2865, &end # # 164 VAL QG1 164 VAL HN 4.50 (# 8203:10 Preassigned 4.20, 4.46 A) &rst ixpk= 8203, nxpk= 10, iat= -1,2490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2496,2497,2498, &end # # 122 THR QG 123 LEU HN 3.50 (# 8206:10 Preassigned 4.03, 4.65 A) &rst ixpk= 8206, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1845,1846,1847, &end # # 164 VAL QG1 166 PHE HN 4.50 (# 8211:10 Preassigned 4.57, 6.12 A) &rst ixpk= 8211, nxpk= 10, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2496,2497,2498, &end # # 122 THR QG 163 GLN HN 4.50 (# 8219:10 Double 0.00, 0.00) &rst ixpk= 8219, nxpk= 10, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 164 VAL QG1 168 GLU HN 4.50 (# 8237:10 Preassigned 3.90, 4.64 A) &rst ixpk= 8237, nxpk= 10, iat= -1,2549, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2496,2497,2498, &end # # 140 LEU HB3 141 GLN HN 3.50 (# 8248:10 Preassigned 1.96, 3.01 A) &rst ixpk= 8248, nxpk= 10, iat=2140,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS HG2 133 GLU HN 4.50 (# 8251:10 Double 0.00, 0.00) &rst ixpk= 8251, nxpk= 10, iat=2045,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LYS QD 151 LYS HN 3.50 (# 8254:10 Preassigned 3.53, 4.53 A) &rst ixpk= 8254, nxpk= 10, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2305,2306, &end # # 135 GLU QB 135 GLU HN 4.50 (# 8257:10 Preassigned 2.60, 3.37 A) &rst ixpk= 8257, nxpk= 10, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2064,2065, &end # # 123 LEU HB3 124 THR HN 4.50 (# 8272:10 Preassigned 3.46, 3.53 A) &rst ixpk= 8272, nxpk= 10, iat=1858,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LYS HG2 151 LYS HN 3.50 (# 8275:10 Preassigned 2.40, 2.95 A) &rst ixpk= 8275, nxpk= 10, iat=2302,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS HG3 133 GLU HN 4.50 (# 8278:10 Preassigned 2.68, 4.20 A) &rst ixpk= 8278, nxpk= 10, iat=2046,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 156 LEU HB3 157 ASP HN 4.50 (# 8282:10 Preassigned 3.95, 4.21 A) &rst ixpk= 8282, nxpk= 10, iat=2394,2408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 158 ALA QB 159 ASN HN 3.50 (# 8293:10 Preassigned 2.51, 3.71 A) &rst ixpk= 8293, nxpk= 10, iat= -1,2430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2424,2425,2426, &end # # 148 ALA QB 149 VAL HN 4.50 (# 8304:10 Preassigned 3.28, 4.14 A) &rst ixpk= 8304, nxpk= 10, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2261,2262,2263, &end # # 97 THR QG 97 THR HN 6.00 (# 8305:10 Preassigned 2.08, 3.53 A) &rst ixpk= 8305, nxpk= 10, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1486,1487,1488, &end # # 179 ALA QB 180 SER HN 4.50 (# 8317:10 Preassigned 2.21, 3.64 A) &rst ixpk= 8317, nxpk= 10, iat= -1,2729, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2723,2724,2725, &end # # 176 ILE HG2 177 THR HN 4.50 (# 8318:10 Preassigned 3.96, 4.36 A) &rst ixpk= 8318, nxpk= 10, iat=2685,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE HG3 177 THR HN 6.00 (# 8324:10 Preassigned 4.71, 5.01 A) &rst ixpk= 8324, nxpk= 10, iat=2686,2694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 120 THR QG 120 THR HN 3.50 (# 8338:10 Preassigned 2.97, 4.40 A) &rst ixpk= 8338, nxpk= 10, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1814,1815,1816, &end # # 124 THR QG 124 THR HN 3.50 (# 8340:10 Preassigned 2.21, 3.13 A) &rst ixpk= 8340, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1878,1879,1880, &end # # 122 THR QG 120 THR HN 4.50 (# 8349:10 Preassigned 4.15, 5.85 A) &rst ixpk= 8349, nxpk= 10, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 122 THR QG 122 THR HN 4.50 (# 8358:10 Preassigned 2.22, 3.21 A) &rst ixpk= 8358, nxpk= 10, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 122 THR QG 124 THR HN 4.50 (# 8364:10 Double 0.00, 0.00) &rst ixpk= 8364, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 100 GLU HB3 104 GLY HN 6.00 (# 8367:10 Preassigned 3.13, 4.50 A) &rst ixpk= 8367, nxpk= 10, iat=1533,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 158 ALA QB 160 GLY HN 6.00 (# 8368:10 Preassigned 5.13, 5.81 A) &rst ixpk= 8368, nxpk= 10, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2424,2425,2426, &end # # 153 LEU QD1 125 LYS HN 4.50 (# 8389:10 Preassigned 4.90, 6.55 A) &rst ixpk= 8389, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2345,2346,2347, &end # # 140 LEU QQD 140 LEU HN 3.50 (# 8418:10 Preassigned 3.16, 4.49 A) &rst ixpk= 8418, nxpk= 10, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 149 VAL QG2 149 VAL HN 3.50 (# 8422:10 Preassigned 2.27, 3.34 A) &rst ixpk= 8422, nxpk= 10, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2277,2278,2279, &end # # 153 LEU QD1 153 LEU HN 3.50 (# 8434:10 Preassigned 3.76, 4.78 A) &rst ixpk= 8434, nxpk= 10, iat= -1,2336, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2345,2346,2347, &end # # 164 VAL QG2 123 LEU HN 4.50 (# 8441:10 Preassigned 4.28, 5.09 A) &rst ixpk= 8441, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2500,2501,2502, &end # # 106 ILE QD 106 ILE HN 3.50 (# 8442:10 Preassigned 1.66, 3.16 A) &rst ixpk= 8442, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1617,1618,1619, &end # # 153 LEU QD2 154 LYS HN 3.50 (# 8445:10 Preassigned 3.03, 4.72 A) &rst ixpk= 8445, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2349,2350,2351, &end # # 153 LEU QD1 154 LYS HN 4.50 (# 8446:10 Preassigned 5.15, 5.79 A) &rst ixpk= 8446, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2345,2346,2347, &end # # 153 LEU QD2 125 LYS HN 4.50 (# 8453:10 Preassigned 4.90, 6.55 A) &rst ixpk= 8453, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2349,2350,2351, &end # # 164 VAL QG2 164 VAL HN 3.50 (# 8456:10 Preassigned 1.98, 3.07 A) &rst ixpk= 8456, nxpk= 10, iat= -1,2490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2500,2501,2502, &end # # 106 ILE QD 105 MET HN 4.50 (# 8473:10 Preassigned 2.36, 4.83 A) &rst ixpk= 8473, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1617,1618,1619, &end # # 170 ILE QG1 170 ILE HN 4.50 (# 8486:10 Preassigned 4.09, 4.51 A) &rst ixpk= 8486, nxpk= 10, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2594,2595, &end # # 164 VAL QG2 168 GLU HN 6.00 (# 8492:10 Preassigned 5.62, 6.73 A) &rst ixpk= 8492, nxpk= 10, iat= -1,2549, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2500,2501,2502, &end # # 140 LEU QQD 132 MET HN 4.50 (# 8499:10 Double 0.00, 0.00) &rst ixpk= 8499, nxpk= 10, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2144,2145,2146,2148,2149,2150, &end # # 152 LEU QQD 153 LEU HN 3.50 (# 8506:10 Preassigned 1.92, 5.12 A) &rst ixpk= 8506, nxpk= 10, iat= -1,2336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2326,2327,2328,2330,2331,2332, &end # # 173 VAL QG1 173 VAL HN 3.50 (# 8508:10 Preassigned 3.75, 4.35 A) &rst ixpk= 8508, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2645,2646,2647, &end # # 177 THR QG 178 SER HN 4.50 (# 8510:10 Preassigned 2.54, 4.13 A) &rst ixpk= 8510, nxpk= 10, iat= -1,2708, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2700,2701,2702, &end # # 177 THR QG 176 ILE HN 3.50 (# 8511:10 Double 0.00, 0.00) &rst ixpk= 8511, nxpk= 10, iat= -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2700,2701,2702, &end # # 177 THR QG 175 ALA HN 3.50 (# 8516:10 Double 0.00, 0.00) &rst ixpk= 8516, nxpk= 10, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2700,2701,2702, &end # # 140 LEU QQD 139 PHE HN 3.50 (# 8520:10 Preassigned 4.13, 6.58 A) &rst ixpk= 8520, nxpk= 10, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 152 LEU QQD 155 ASP HN 4.50 (# 8521:10 Preassigned 4.97, 6.85 A) &rst ixpk= 8521, nxpk= 10, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2326,2327,2328,2330,2331,2332, &end # # 152 LEU QQD 152 LEU HN 3.50 (# 8539:10 Preassigned 2.19, 4.53 A) &rst ixpk= 8539, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2326,2327,2328,2330,2331,2332, &end # # 149 VAL QG1 152 LEU HN 4.50 (# 8540:10 Double 0.00, 0.00) &rst ixpk= 8540, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2273,2274,2275, &end # # 171 VAL QG2 172 PHE HN 3.50 (# 8541:10 Preassigned 3.75, 4.69 A) &rst ixpk= 8541, nxpk= 10, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2613,2614,2615, &end # # 107 ILE QG2 108 ASP HN 3.50 (# 8563:10 Preassigned 3.12, 4.27 A) &rst ixpk= 8563, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1629,1630,1631, &end # # 171 VAL QG2 172 PHE HN 3.50 (# 8582:10 Preassigned 3.75, 4.69 A) &rst ixpk= 8582, nxpk= 10, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2613,2614,2615, &end # # 164 VAL QG2 156 LEU HN 4.50 (# 8601:10 Double 0.00, 0.00) &rst ixpk= 8601, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2500,2501,2502, &end # # 156 LEU QD1 156 LEU HN 3.50 (# 8616:10 Preassigned 4.19, 4.82 A) &rst ixpk= 8616, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2398,2399,2400, &end # # 131 LEU QD1 132 MET HN 4.50 (# 8639:10 Double 0.00, 0.00) &rst ixpk= 8639, nxpk= 10, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1996,1997,1998, &end # # 123 LEU QQD 123 LEU HN 4.50 (# 8656:10 Preassigned 2.42, 4.33 A) &rst ixpk= 8656, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 156 LEU QD2 156 LEU HN 3.50 (# 8681:10 Preassigned 2.05, 3.14 A) &rst ixpk= 8681, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2402,2403,2404, &end # # 170 ILE QG2 170 ILE HN 3.50 (# 8697:10 Preassigned 2.17, 3.44 A) &rst ixpk= 8697, nxpk= 10, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2590,2591,2592, &end # # 173 VAL QG2 173 VAL HN 3.50 (# 8751:10 Preassigned 2.13, 3.42 A) &rst ixpk= 8751, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2649,2650,2651, &end # # 140 LEU QQD 133 GLU HN 4.50 (# 8822:10 Double 0.00, 0.00) &rst ixpk= 8822, nxpk= 10, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2144,2145,2146,2148,2149,2150, &end # # 152 LEU QQD 151 LYS HN 4.50 (# 8824:10 Double 0.00, 0.00) &rst ixpk= 8824, nxpk= 10, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2326,2327,2328,2330,2331,2332, &end # # 140 LEU QQD 133 GLU HN 4.50 (# 8832:10 Double 0.00, 0.00) &rst ixpk= 8832, nxpk= 10, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2144,2145,2146,2148,2149,2150, &end # # 177 THR QG 177 THR HN 3.50 (# 8835:10 Preassigned 1.99, 3.06 A) &rst ixpk= 8835, nxpk= 10, iat= -1,2694, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2700,2701,2702, &end # # 156 LEU QD1 157 ASP HN 4.50 (# 8845:10 Preassigned 3.02, 4.88 A) &rst ixpk= 8845, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2398,2399,2400, &end # # 131 LEU HG 135 GLU HN 4.50 (# 8849:10 Preassigned 3.73, 4.66 A) &rst ixpk= 8849, nxpk= 10, iat=1994,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 131 LEU QD1 111 SER HN 6.00 (# 8852:10 Preassigned 3.73, 6.32 A) &rst ixpk= 8852, nxpk= 10, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1996,1997,1998, &end # # 123 LEU QQD 114 SER HN 4.50 (# 8867:10 Preassigned 2.28, 5.03 A) &rst ixpk= 8867, nxpk= 10, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 123 LEU QQD 124 THR HN 4.50 (# 8883:10 Preassigned 3.90, 5.74 A) &rst ixpk= 8883, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 131 LEU QD2 114 SER HN 4.50 (# 8885:10 Preassigned 4.90, 6.33 A) &rst ixpk= 8885, nxpk= 10, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2000,2001,2002, &end # # 123 LEU QQD 124 THR HN 4.50 (# 8894:10 Preassigned 3.90, 5.74 A) &rst ixpk= 8894, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 124 THR HB 125 LYS HN 3.50 (# 8996:10 Preassigned 3.72, 3.83 A) &rst ixpk= 8996, nxpk= 10, iat=1876,1886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 125 LYS HA 125 LYS HN 4.50 (# 8997:10 Preassigned 2.74, 2.77 A) &rst ixpk= 8997, nxpk= 10, iat=1888,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 187 THR HA 190 LYS HN 3.50 (# 8998:10 Preassigned 3.33, 3.84 A) &rst ixpk= 8998, nxpk= 10, iat=2859,2897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 127 GLU HA 127 GLU HN 4.50 (# 8999:10 Preassigned 2.90, 2.95 A) &rst ixpk= 8999, nxpk= 10, iat=1917,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 128 LEU HA 127 GLU HN 4.50 (# 9000:10 Preassigned 4.87, 4.99 A) &rst ixpk= 9000, nxpk= 10, iat=1932,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 126 GLY QA 127 GLU HN 3.50 (# 9001:10 Preassigned 2.92, 3.27 A) &rst ixpk= 9001, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1910,1911, &end # # 161 ASP HB2 162 ALA HN 4.50 (# 9003:10 Preassigned 3.33, 3.46 A) &rst ixpk= 9003, nxpk= 10, iat=2455,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET HN 104 GLY HN 4.50 (# 9005:10 Preassigned 2.20, 2.87 A) &rst ixpk= 9005, nxpk= 10, iat=1587,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 GLY HA3 104 GLY HN 3.50 (# 9006:10 Preassigned 2.08, 2.40 A) &rst ixpk= 9006, nxpk= 10, iat=1583,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 104 GLY HA2 104 GLY HN 3.50 (# 9007:10 Preassigned 2.33, 2.74 A) &rst ixpk= 9007, nxpk= 10, iat=1582,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 MET HB3 104 GLY HN 4.50 (# 9008:10 Preassigned 2.07, 2.88 A) &rst ixpk= 9008, nxpk= 10, iat=1568,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 138 GLY QA 138 GLY HN 3.50 (# 9011:10 Preassigned 2.24, 2.59 A) &rst ixpk= 9011, nxpk= 10, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2110,2111, &end # # 175 ALA HN 174 ALA HN 4.50 (# 9021:10 Preassigned 2.82, 2.90 A) &rst ixpk= 9021, nxpk= 10, iat=2665,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 173 VAL HN 174 ALA HN 4.50 (# 9022:10 Preassigned 2.76, 2.92 A) &rst ixpk= 9022, nxpk= 10, iat=2639,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 173 VAL QG1 174 ALA HN 3.50 (# 9023:10 Preassigned 2.69, 3.89 A) &rst ixpk= 9023, nxpk= 10, iat= -1,2655, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2645,2646,2647, &end # # 173 VAL QG2 174 ALA HN 3.50 (# 9026:10 Preassigned 4.48, 5.05 A) &rst ixpk= 9026, nxpk= 10, iat= -1,2655, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2649,2650,2651, &end # # 174 ALA QB 174 ALA HN 3.50 (# 9027:10 Preassigned 2.31, 2.83 A) &rst ixpk= 9027, nxpk= 10, iat= -1,2655, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2659,2660,2661, &end # # 170 ILE HA 174 ALA HN 4.50 (# 9028:10 Preassigned 3.67, 3.87 A) &rst ixpk= 9028, nxpk= 10, iat=2586,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 174 ALA HA 174 ALA HN 4.50 (# 9030:10 Preassigned 2.79, 2.84 A) &rst ixpk= 9030, nxpk= 10, iat=2657,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 173 VAL HB 174 ALA HN 3.50 (# 9031:10 Preassigned 2.69, 2.98 A) &rst ixpk= 9031, nxpk= 10, iat=2643,2655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 165 ASP HA 165 ASP HN 4.50 (# 9035:10 Preassigned 2.91, 2.93 A) &rst ixpk= 9035, nxpk= 10, iat=2508,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 164 VAL HA 165 ASP HN 3.50 (# 9036:10 Preassigned 2.24, 2.29 A) &rst ixpk= 9036, nxpk= 10, iat=2492,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HG3 165 ASP HN 3.50 (# 9037:10 Preassigned 2.28, 2.69 A) &rst ixpk= 9037, nxpk= 10, iat=2557,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 164 VAL QG1 165 ASP HN 3.50 (# 9038:10 Preassigned 3.88, 4.51 A) &rst ixpk= 9038, nxpk= 10, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2496,2497,2498, &end # # 165 ASP HB2 165 ASP HN 4.50 (# 9039:10 Preassigned 2.27, 2.52 A) &rst ixpk= 9039, nxpk= 10, iat=2510,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 164 VAL QG2 165 ASP HN 4.50 (# 9041:10 Preassigned 4.56, 5.29 A) &rst ixpk= 9041, nxpk= 10, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2500,2501,2502, &end # # 123 LEU HN 164 VAL HN 4.50 (# 9045:10 Preassigned 2.99, 3.49 A) &rst ixpk= 9045, nxpk= 10, iat=1853,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN HN 164 VAL HN 6.00 (# 9046:10 Preassigned 3.24, 3.85 A) &rst ixpk= 9046, nxpk= 10, iat=2473,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 163 GLN HA 164 VAL HN 3.50 (# 9047:10 Preassigned 2.01, 2.19 A) &rst ixpk= 9047, nxpk= 10, iat=2475,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 123 LEU HB3 164 VAL HN 6.00 (# 9048:10 Preassigned 4.87, 5.67 A) &rst ixpk= 9048, nxpk= 10, iat=1858,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 165 ASP HN 164 VAL HN 6.00 (# 9049:10 Preassigned 4.08, 4.25 A) &rst ixpk= 9049, nxpk= 10, iat=2506,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 163 GLN HG3 164 VAL HN 4.50 (# 9050:10 Preassigned 4.99, 5.15 A) &rst ixpk= 9050, nxpk= 10, iat=2481,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 159 ASN HB2 160 GLY HN 6.00 (# 9052:10 Preassigned 3.03, 4.18 A) &rst ixpk= 9052, nxpk= 10, iat=2434,2444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 171 VAL QG1 171 VAL HN 3.50 (# 9057:10 Preassigned 4.19, 4.57 A) &rst ixpk= 9057, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2609,2610,2611, &end # # 171 VAL QG2 171 VAL HN 3.50 (# 9058:10 Preassigned 2.12, 3.07 A) &rst ixpk= 9058, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2613,2614,2615, &end # # 170 ILE HB 171 VAL HN 4.50 (# 9060:10 Preassigned 3.77, 3.93 A) &rst ixpk= 9060, nxpk= 10, iat=2588,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 179 ALA QB 179 ALA HN 3.50 (# 9061:10 Preassigned 2.40, 2.93 A) &rst ixpk= 9061, nxpk= 10, iat= -1,2719, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2723,2724,2725, &end # # 185 GLU HN 184 PHE HN 4.50 (# 9062:10 Preassigned 2.59, 3.70 A) &rst ixpk= 9062, nxpk= 10, iat=2820,2800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 187 THR HN 184 PHE HN 4.50 (# 9063:10 Preassigned 3.48, 4.54 A) &rst ixpk= 9063, nxpk= 10, iat=2857,2800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 102 ALA HA 106 ILE HN 4.50 (# 9065:10 Preassigned 3.88, 4.47 A) &rst ixpk= 9065, nxpk= 10, iat=1555,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 GLU QB 98 GLU HN 3.50 (# 9068:10 Preassigned 2.38, 3.06 A) &rst ixpk= 9068, nxpk= 10, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1498,1499, &end # # 153 LEU HN 152 LEU HN 3.50 (# 9069:10 Preassigned 2.13, 2.65 A) &rst ixpk= 9069, nxpk= 10, iat=2336,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS HA 135 GLU HN 6.00 (# 9072:10 Preassigned 1.87, 2.93 A) &rst ixpk= 9072, nxpk= 10, iat=2040,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 149 VAL QG2 149 VAL HN 3.50 (# 9073:10 Preassigned 2.27, 3.34 A) &rst ixpk= 9073, nxpk= 10, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2277,2278,2279, &end # # 149 VAL HA 149 VAL HN 4.50 (# 9074:10 Preassigned 2.82, 2.92 A) &rst ixpk= 9074, nxpk= 10, iat=2269,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 179 ALA HN 178 SER HN 4.50 (# 9076:10 Preassigned 2.29, 2.56 A) &rst ixpk= 9076, nxpk= 10, iat=2719,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE HA 178 SER HN 4.50 (# 9077:10 Preassigned 3.82, 4.02 A) &rst ixpk= 9077, nxpk= 10, iat=2677,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 164 VAL QG1 169 PHE HN 3.50 (# 9078:10 Preassigned 2.06, 2.98 A) &rst ixpk= 9078, nxpk= 10, iat= -1,2564, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2496,2497,2498, &end # # 170 ILE QG2 169 PHE HN 4.50 (# 9079:10 Preassigned 4.76, 5.95 A) &rst ixpk= 9079, nxpk= 10, iat= -1,2564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2590,2591,2592, &end # # 173 VAL QG2 169 PHE HN 4.50 (# 9080:10 Preassigned 4.15, 6.57 A) &rst ixpk= 9080, nxpk= 10, iat= -1,2564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2649,2650,2651, &end # # 164 VAL QG2 169 PHE HN 4.50 (# 9081:10 Preassigned 4.23, 5.39 A) &rst ixpk= 9081, nxpk= 10, iat= -1,2564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2500,2501,2502, &end # # 129 LYS HN 128 LEU HN 6.00 (# 9082:10 Preassigned 2.52, 2.89 A) &rst ixpk= 9082, nxpk= 10, iat=1949,1930, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 128 LEU QD2 128 LEU HN 4.50 (# 9083:10 Preassigned 3.93, 4.85 A) &rst ixpk= 9083, nxpk= 10, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1943,1944,1945, &end # # 103 MET HN 102 ALA HN 4.50 (# 9084:10 Preassigned 2.15, 2.35 A) &rst ixpk= 9084, nxpk= 10, iat=1563,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ILE QD 102 ALA HN 4.50 (# 9085:10 Preassigned 5.06, 6.06 A) &rst ixpk= 9085, nxpk= 10, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1617,1618,1619, &end # # 132 MET HG2 132 MET HN 4.50 (# 9087:10 Preassigned 1.88, 2.61 A) &rst ixpk= 9087, nxpk= 10, iat=2013,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET QB 132 MET HN 3.50 (# 9088:10 Preassigned 2.44, 3.52 A) &rst ixpk= 9088, nxpk= 10, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2010,2011, &end # # 134 LYS QB 132 MET HN 3.50 (# 9089:10 0.00, 0.00) &rst ixpk= 9089, nxpk= 10, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2042,2043, &end # # 131 LEU QD2 132 MET HN 4.50 (# 9090:10 Preassigned 3.66, 5.11 A) &rst ixpk= 9090, nxpk= 10, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2000,2001,2002, &end # # 107 ILE HB 107 ILE HN 3.50 (# 9093:10 Preassigned 2.08, 2.17 A) &rst ixpk= 9093, nxpk= 10, iat=1627,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 114 SER HN 113 TYR HN 3.50 (# 9096:10 Preassigned 2.27, 3.40 A) &rst ixpk= 9096, nxpk= 10, iat=1746,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 TYR HA 113 TYR HN 3.50 (# 9098:10 Preassigned 2.48, 2.70 A) &rst ixpk= 9098, nxpk= 10, iat=1727,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 112 ARG HB2 113 TYR HN 3.50 (# 9099:10 Preassigned 2.07, 2.91 A) &rst ixpk= 9099, nxpk= 10, iat=1705,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 112 ARG HG3 113 TYR HN 3.50 (# 9100:10 Preassigned 3.69, 4.36 A) &rst ixpk= 9100, nxpk= 10, iat=1709,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 LEU QD2 129 LYS HN 3.50 (# 9103:10 Preassigned 2.42, 3.81 A) &rst ixpk= 9103, nxpk= 10, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1943,1944,1945, &end # # 128 LEU HB3 129 LYS HN 3.50 (# 9104:10 Preassigned 2.36, 2.91 A) &rst ixpk= 9104, nxpk= 10, iat=1935,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HA 170 ILE HN 3.50 (# 9107:10 Preassigned 3.49, 3.58 A) &rst ixpk= 9107, nxpk= 10, iat=2566,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS HA 157 ASP HN 3.50 (# 9112:10 Preassigned 2.80, 3.45 A) &rst ixpk= 9112, nxpk= 10, iat=2357,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HB2 157 ASP HN 3.50 (# 9113:10 Preassigned 3.05, 3.53 A) &rst ixpk= 9113, nxpk= 10, iat=2393,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS HG3 134 LYS HN 3.50 (# 9116:10 Preassigned 2.53, 3.72 A) &rst ixpk= 9116, nxpk= 10, iat=2046,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 107 ILE HN 106 ILE HN 4.50 (# 9120:10 Preassigned 2.11, 2.60 A) &rst ixpk= 9120, nxpk= 10, iat=1623,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 ILE QG1 106 ILE HN 4.50 (# 9121:10 Double 0.00, 0.00) &rst ixpk= 9121, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1633,1634, &end # # 116 SER HN 117 GLU HN 4.50 (# 9122:10 Preassigned 2.28, 2.96 A) &rst ixpk= 9122, nxpk= 10, iat=1764,1775, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HN 139 PHE HN 4.50 (# 9125:10 Preassigned 2.38, 2.69 A) &rst ixpk= 9125, nxpk= 10, iat=2135,2115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 ASP HN 151 LYS HN 3.50 (# 9126:10 Preassigned 2.39, 2.80 A) &rst ixpk= 9126, nxpk= 10, iat=2283,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HB3 151 LYS HN 3.50 (# 9127:10 Preassigned 3.17, 3.75 A) &rst ixpk= 9127, nxpk= 10, iat=2288,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 174 ALA HA 177 THR HN 3.50 (# 9128:10 Preassigned 3.41, 3.57 A) &rst ixpk= 9128, nxpk= 10, iat=2657,2694, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 160 GLY HN 161 ASP HN 3.50 (# 9130:10 Preassigned 1.80, 2.71 A) &rst ixpk= 9130, nxpk= 10, iat=2444,2451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 144 LYS QB 145 ASP HN 3.50 (# 9134:10 Preassigned 3.81, 4.23 A) &rst ixpk= 9134, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2193,2194, &end # # 153 LEU HB3 153 LEU HN 3.50 (# 9135:10 Preassigned 2.19, 2.83 A) &rst ixpk= 9135, nxpk= 10, iat=2341,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN QB 164 VAL HN 3.50 (# 9136:10 Preassigned 3.67, 4.29 A) &rst ixpk= 9136, nxpk= 10, iat= -1,2490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2477,2478, &end # # 123 LEU QQD 164 VAL HN 6.00 (# 9138:10 Preassigned 3.63, 6.56 A) &rst ixpk= 9138, nxpk= 10, iat= -1,2490, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1862,1863,1864,1866,1867,1868, &end # # 121 GLN HA 122 THR HN 3.50 (# 9139:10 Preassigned 1.86, 2.66 A) &rst ixpk= 9139, nxpk= 10, iat=1824,1839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 175 ALA HN 176 ILE HN 3.50 (# 9142:10 Preassigned 2.23, 2.35 A) &rst ixpk= 9142, nxpk= 10, iat=2665,2675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HB3 172 PHE HN 3.50 (# 9144:10 Preassigned 4.85, 6.23 A) &rst ixpk= 9144, nxpk= 10, iat=2394,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 GLU HN 116 SER HN 4.50 (# 9145:10 Preassigned 2.28, 2.96 A) &rst ixpk= 9145, nxpk= 10, iat=1775,1764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 120 THR HN 121 GLN HN 6.00 (# 9146:10 Preassigned 2.72, 3.73 A) &rst ixpk= 9146, nxpk= 10, iat=1808,1822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 121 GLN QG 121 GLN HN 3.50 (# 9147:10 Preassigned 2.06, 3.14 A) &rst ixpk= 9147, nxpk= 10, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1829,1830, &end # # 172 PHE HA 173 VAL HN 3.50 (# 9148:10 Preassigned 3.50, 3.55 A) &rst ixpk= 9148, nxpk= 10, iat=2621,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 146 LYS HN 145 ASP HN 3.50 (# 9149:10 Preassigned 2.20, 2.82 A) &rst ixpk= 9149, nxpk= 10, iat=2223,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 187 THR HA 188 GLY HN 4.50 (# 9150:10 Preassigned 2.19, 3.41 A) &rst ixpk= 9150, nxpk= 10, iat=2859,2871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 188 GLY QA 188 GLY HN 4.50 (# 9151:10 Preassigned 2.31, 2.69 A) &rst ixpk= 9151, nxpk= 10, iat= -1,2871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2873,2874, &end # # 117 GLU HA 118 GLY HN 3.50 (# 9152:10 Preassigned 2.10, 3.44 A) &rst ixpk= 9152, nxpk= 10, iat=1777,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HB3 149 VAL HN 4.50 (# 9154:10 Preassigned 6.30, 6.97 A) &rst ixpk= 9154, nxpk= 10, iat=2288,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 ASP HA 156 LEU HN 4.50 (# 9157:10 Preassigned 3.31, 3.37 A) &rst ixpk= 9157, nxpk= 10, iat=2379,2389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 ASP HB3 156 LEU HN 3.50 (# 9158:10 Preassigned 3.53, 4.03 A) &rst ixpk= 9158, nxpk= 10, iat=2382,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HB2 156 LEU HN 3.50 (# 9159:10 Preassigned 3.64, 3.74 A) &rst ixpk= 9159, nxpk= 10, iat=2393,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HG 156 LEU HN 3.50 (# 9160:10 Preassigned 2.09, 2.69 A) &rst ixpk= 9160, nxpk= 10, iat=2396,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU QD2 157 ASP HN 4.50 (# 9161:10 Preassigned 3.92, 6.73 A) &rst ixpk= 9161, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2402,2403,2404, &end # # 104 GLY HN 105 MET HN 4.50 (# 9162:10 Preassigned 2.20, 2.87 A) &rst ixpk= 9162, nxpk= 10, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 158 ALA QB 158 ALA HN 3.50 (# 9163:10 Preassigned 2.33, 3.05 A) &rst ixpk= 9163, nxpk= 10, iat= -1,2420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2424,2425,2426, &end # # 157 ASP HA 158 ALA HN 3.50 (# 9164:10 Preassigned 3.33, 3.49 A) &rst ixpk= 9164, nxpk= 10, iat=2410,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN HG3 163 GLN HN 3.50 (# 9166:10 Preassigned 2.97, 3.25 A) &rst ixpk= 9166, nxpk= 10, iat=2481,2473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 162 ALA HN 163 GLN HN 4.50 (# 9167:10 Preassigned 1.74, 1.90 A) &rst ixpk= 9167, nxpk= 10, iat=2463,2473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HB2 168 GLU HN 3.50 (# 9168:10 Preassigned 2.48, 2.73 A) &rst ixpk= 9168, nxpk= 10, iat=2553,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 172 PHE HN 171 VAL HN 4.50 (# 9169:10 Preassigned 2.46, 2.57 A) &rst ixpk= 9169, nxpk= 10, iat=2619,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE HN 171 VAL HN 4.50 (# 9170:10 Preassigned 2.48, 2.66 A) &rst ixpk= 9170, nxpk= 10, iat=2584,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE QG2 171 VAL HN 3.50 (# 9171:10 Preassigned 2.39, 3.31 A) &rst ixpk= 9171, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2590,2591,2592, &end # # 168 GLU HA 171 VAL HN 4.50 (# 9173:10 Preassigned 3.12, 3.43 A) &rst ixpk= 9173, nxpk= 10, iat=2551,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE QG2 176 ILE HN 3.50 (# 9175:10 Preassigned 4.24, 4.57 A) &rst ixpk= 9175, nxpk= 10, iat= -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2681,2682,2683, &end # # 190 LYS HA 190 LYS HN 4.50 (# 9177:10 Preassigned 2.30, 2.76 A) &rst ixpk= 9177, nxpk= 10, iat=2899,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 189 LEU HG 190 LYS HN 4.50 (# 9178:10 Preassigned 3.10, 4.00 A) &rst ixpk= 9178, nxpk= 10, iat=2885,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 190 LYS HB3 190 LYS HN 4.50 (# 9181:10 Preassigned 2.57, 3.01 A) &rst ixpk= 9181, nxpk= 10, iat=2902,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 187 THR HB 187 THR HN 4.50 (# 9183:10 Preassigned 2.93, 3.48 A) &rst ixpk= 9183, nxpk= 10, iat=2861,2857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 ASP HA 108 ASP HN 3.50 (# 9184:10 Preassigned 2.80, 2.87 A) &rst ixpk= 9184, nxpk= 10, iat=1644,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU QQD 152 LEU HN 3.50 (# 9187:10 Preassigned 2.19, 4.53 A) &rst ixpk= 9187, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2326,2327,2328,2330,2331,2332, &end # # 176 ILE HN 177 THR HN 4.50 (# 9188:10 Preassigned 2.51, 2.69 A) &rst ixpk= 9188, nxpk= 10, iat=2675,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 177 THR HA 177 THR HN 4.50 (# 9189:10 Preassigned 2.80, 2.83 A) &rst ixpk= 9189, nxpk= 10, iat=2696,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 174 ALA QB 175 ALA HN 3.50 (# 9190:10 Preassigned 3.24, 4.03 A) &rst ixpk= 9190, nxpk= 10, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2659,2660,2661, &end # # 171 VAL HN 170 ILE HN 4.50 (# 9192:10 Preassigned 2.48, 2.66 A) &rst ixpk= 9192, nxpk= 10, iat=2603,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE QD 170 ILE HN 3.50 (# 9193:10 Preassigned 4.00, 4.98 A) &rst ixpk= 9193, nxpk= 10, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2597,2598,2599, &end # # 168 GLU HG3 166 PHE HN 4.50 (# 9194:10 Preassigned 4.53, 5.03 A) &rst ixpk= 9194, nxpk= 10, iat=2557,2518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HN 167 SER HN 3.50 (# 9195:10 Preassigned 4.32, 4.54 A) &rst ixpk= 9195, nxpk= 10, iat=2549,2538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HB3 165 ASP HN 3.50 (# 9200:10 Preassigned 3.97, 4.35 A) &rst ixpk= 9200, nxpk= 10, iat=2554,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 157 ASP QB 158 ALA HN 3.50 (# 9204:10 Double 0.00, 0.00) &rst ixpk= 9204, nxpk= 10, iat= -1,2420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2412,2413, &end # # 154 LYS QB 155 ASP HN 3.50 (# 9205:10 Preassigned 2.44, 3.01 A) &rst ixpk= 9205, nxpk= 10, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2359,2360, &end # # 153 LEU HB2 153 LEU HN 3.50 (# 9206:10 Preassigned 2.29, 2.61 A) &rst ixpk= 9206, nxpk= 10, iat=2340,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HA 150 ASP HN 3.50 (# 9208:10 Preassigned 2.14, 2.62 A) &rst ixpk= 9208, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 149 VAL HA 150 ASP HN 3.50 (# 9209:10 Preassigned 3.40, 3.56 A) &rst ixpk= 9209, nxpk= 10, iat=2269,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HB3 150 ASP HN 3.50 (# 9210:10 Preassigned 2.09, 2.92 A) &rst ixpk= 9210, nxpk= 10, iat=2288,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 149 VAL QG1 150 ASP HN 3.50 (# 9211:10 Preassigned 3.86, 6.79 A) &rst ixpk= 9211, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2273,2274,2275, &end # # 152 LEU HB3 153 LEU HN 3.50 (# 9212:10 Preassigned 2.35, 3.52 A) &rst ixpk= 9212, nxpk= 10, iat=2322,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 142 SER HA 142 SER HN 4.50 (# 9213:10 Preassigned 2.68, 2.85 A) &rst ixpk= 9213, nxpk= 10, iat=2173,2171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 GLU QB 135 GLU HN 4.50 (# 9219:10 Preassigned 2.60, 3.37 A) &rst ixpk= 9219, nxpk= 10, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2064,2065, &end # # 131 LEU QD1 135 GLU HN 4.50 (# 9220:10 Preassigned 2.44, 5.30 A) &rst ixpk= 9220, nxpk= 10, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1996,1997,1998, &end # # 135 GLU QG 135 GLU HN 4.50 (# 9222:10 Preassigned 1.79, 2.89 A) &rst ixpk= 9222, nxpk= 10, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2067,2068, &end # # 131 LEU HB3 135 GLU HN 4.50 (# 9223:10 Preassigned 4.05, 4.82 A) &rst ixpk= 9223, nxpk= 10, iat=1992,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HD2 135 GLU HN 6.00 (# 9225:10 Preassigned 4.00, 4.69 A) &rst ixpk= 9225, nxpk= 10, iat=2095,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 140 LEU HB3 138 GLY HN 6.00 (# 9226:10 Preassigned 5.57, 6.40 A) &rst ixpk= 9226, nxpk= 10, iat=2140,2108, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 137 PRO HD3 138 GLY HN 4.50 (# 9228:10 Preassigned 4.15, 4.71 A) &rst ixpk= 9228, nxpk= 10, iat=2096,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 128 LEU QD1 128 LEU HN 4.50 (# 9230:10 Preassigned 4.50, 5.20 A) &rst ixpk= 9230, nxpk= 10, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1939,1940,1941, &end # # 123 LEU HG 128 LEU HN 3.50 (# 9231:10 Preassigned 3.44, 3.97 A) &rst ixpk= 9231, nxpk= 10, iat=1860,1930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 123 LEU HB2 128 LEU HN 4.50 (# 9232:10 Preassigned 2.38, 3.58 A) &rst ixpk= 9232, nxpk= 10, iat=1857,1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 129 LYS QD 126 GLY HN 4.50 (# 9234:10 Preassigned 5.10, 5.65 A) &rst ixpk= 9234, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1959,1960, &end # # 114 SER HN 115 GLY HN 3.50 (# 9239:10 Preassigned 2.57, 2.82 A) &rst ixpk= 9239, nxpk= 10, iat=1746,1757, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 TYR HN 115 GLY HN 6.00 (# 9240:10 Preassigned 3.12, 3.96 A) &rst ixpk= 9240, nxpk= 10, iat=1725,1757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 114 SER HB2 115 GLY HN 4.50 (# 9241:10 Preassigned 3.77, 4.05 A) &rst ixpk= 9241, nxpk= 10, iat=1750,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 SER HB3 115 GLY HN 4.50 (# 9242:10 Preassigned 2.62, 3.37 A) &rst ixpk= 9242, nxpk= 10, iat=1751,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 GLN HN 120 THR HN 4.50 (# 9243:10 Preassigned 2.72, 3.73 A) &rst ixpk= 9243, nxpk= 10, iat=1822,1808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 ILE HN 108 ASP HN 4.50 (# 9244:10 Preassigned 2.31, 2.60 A) &rst ixpk= 9244, nxpk= 10, iat=1623,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ILE HN 107 ILE HN 4.50 (# 9245:10 Preassigned 2.11, 2.60 A) &rst ixpk= 9245, nxpk= 10, iat=1604,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 LEU HN 98 GLU HN 4.50 (# 9247:10 Preassigned 2.69, 3.07 A) &rst ixpk= 9247, nxpk= 10, iat=1509,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 ASP HN 107 ILE HN 3.50 (# 9249:10 Preassigned 2.31, 2.60 A) &rst ixpk= 9249, nxpk= 10, iat=1642,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 106 ILE QG1 107 ILE HN 3.50 (# 9250:10 Preassigned 2.18, 3.71 A) &rst ixpk= 9250, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1614,1615, &end # # 102 ALA HN 103 MET HN 4.50 (# 9251:10 Preassigned 2.15, 2.35 A) &rst ixpk= 9251, nxpk= 10, iat=1553,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 119 SER HA 119 SER HN 4.50 (# 9252:10 Preassigned 2.16, 2.53 A) &rst ixpk= 9252, nxpk= 10, iat=1799,1797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 SER HN 116 SER HN 4.50 (# 9255:10 Preassigned 4.15, 4.59 A) &rst ixpk= 9255, nxpk= 10, iat=1746,1764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 122 THR HB 122 THR HN 4.50 (# 9256:10 Preassigned 3.49, 3.62 A) &rst ixpk= 9256, nxpk= 10, iat=1843,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU HN 129 LYS HN 4.50 (# 9257:10 Preassigned 3.23, 3.77 A) &rst ixpk= 9257, nxpk= 10, iat=1915,1949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 133 GLU HB3 133 GLU HN 3.50 (# 9258:10 Preassigned 3.48, 3.70 A) &rst ixpk= 9258, nxpk= 10, iat=2028,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS HG3 135 GLU HN 4.50 (# 9259:10 Preassigned 2.93, 3.96 A) &rst ixpk= 9259, nxpk= 10, iat=2046,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 GLU HA 100 GLU HN 4.50 (# 9265:10 Preassigned 3.13, 3.93 A) &rst ixpk= 9265, nxpk= 10, iat=1496,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 ASP HN 154 LYS HN 3.50 (# 9269:10 Preassigned 2.77, 3.15 A) &rst ixpk= 9269, nxpk= 10, iat=2377,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 162 ALA HN 161 ASP HN 3.50 (# 9273:10 Preassigned 2.88, 3.64 A) &rst ixpk= 9273, nxpk= 10, iat=2463,2451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 165 ASP HB2 167 SER HN 4.50 (# 9275:10 Preassigned 2.82, 3.65 A) &rst ixpk= 9275, nxpk= 10, iat=2510,2538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU QQD 142 SER HN 4.50 (# 9276:10 Preassigned 5.44, 6.57 A) &rst ixpk= 9276, nxpk= 10, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2144,2145,2146,2148,2149,2150, &end # # 140 LEU HN 141 GLN HN 3.50 (# 9277:10 Preassigned 2.42, 2.68 A) &rst ixpk= 9277, nxpk= 10, iat=2135,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 119 SER HB3 121 GLN HN 4.50 (# 9278:10 Preassigned 3.34, 5.29 A) &rst ixpk= 9278, nxpk= 10, iat=1802,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HA 112 ARG HN 3.50 (# 9279:10 Preassigned 2.25, 2.75 A) &rst ixpk= 9279, nxpk= 10, iat=1703,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 187 THR HA 187 THR HN 4.50 (# 9281:10 Preassigned 2.14, 2.73 A) &rst ixpk= 9281, nxpk= 10, iat=2859,2857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 188 GLY QA 187 THR HN 4.50 (# 9287:10 Preassigned 1.82, 4.38 A) &rst ixpk= 9287, nxpk= 10, iat= -1,2857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2873,2874, &end # # 149 VAL HN 150 ASP HN 3.50 (# 9289:10 Preassigned 2.65, 3.36 A) &rst ixpk= 9289, nxpk= 10, iat=2267,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 129 LYS HA 129 LYS HN 3.50 (# 9291:10 Preassigned 2.82, 2.86 A) &rst ixpk= 9291, nxpk= 10, iat=1951,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 131 LEU QD2 131 LEU HN 4.50 (# 9293:10 Preassigned 3.64, 4.98 A) &rst ixpk= 9293, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2000,2001,2002, &end # # 131 LEU QD1 131 LEU HN 3.50 (# 9294:10 Preassigned 2.43, 4.73 A) &rst ixpk= 9294, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1996,1997,1998, &end # # 131 LEU HB3 131 LEU HN 3.50 (# 9295:10 Preassigned 2.24, 2.62 A) &rst ixpk= 9295, nxpk= 10, iat=1992,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 149 VAL HN 150 ASP HN 4.50 (# 9297:10 Preassigned 2.65, 3.36 A) &rst ixpk= 9297, nxpk= 10, iat=2267,2283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 148 ALA QB 150 ASP HN 3.50 (# 9298:10 Preassigned 2.77, 4.68 A) &rst ixpk= 9298, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2261,2262,2263, &end # # 140 LEU QQD 141 GLN HN 3.50 (# 9299:10 Preassigned 3.96, 5.29 A) &rst ixpk= 9299, nxpk= 10, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 176 ILE QD 176 ILE HN 3.50 (# 9300:10 Double 0.00, 0.00) &rst ixpk= 9300, nxpk= 10, iat= -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2688,2689,2690, &end # # 176 ILE HG3 176 ILE HN 3.50 (# 9301:10 Preassigned 3.54, 3.68 A) &rst ixpk= 9301, nxpk= 10, iat=2686,2675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 108 ASP HB3 108 ASP HN 3.50 (# 9304:10 Preassigned 2.14, 2.52 A) &rst ixpk= 9304, nxpk= 10, iat=1647,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 100 GLU HB3 97 THR HN 6.00 (# 9305:10 Preassigned 3.30, 4.11 A) &rst ixpk= 9305, nxpk= 10, iat=1533,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HB3 99 LEU HN 4.50 (# 9309:10 Preassigned 4.96, 5.96 A) &rst ixpk= 9309, nxpk= 10, iat=1533,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HG3 99 LEU HN 4.50 (# 9310:10 Preassigned 4.11, 6.87 A) &rst ixpk= 9310, nxpk= 10, iat=1536,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HB3 101 ALA HN 3.50 (# 9311:10 Preassigned 3.11, 3.59 A) &rst ixpk= 9311, nxpk= 10, iat=1533,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 100 GLU HN 102 ALA HN 6.00 (# 9312:10 Preassigned 2.72, 3.24 A) &rst ixpk= 9312, nxpk= 10, iat=1528,1553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 MET HG3 103 MET HN 3.50 (# 9313:10 Preassigned 4.00, 4.31 A) &rst ixpk= 9313, nxpk= 10, iat=1571,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 107 ILE QG2 107 ILE HN 3.50 (# 9316:10 Preassigned 3.85, 4.38 A) &rst ixpk= 9316, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1629,1630,1631, &end # # 173 VAL QG1 107 ILE HN 4.50 (# 9317:10 Preassigned 4.01, 4.20 A) &rst ixpk= 9317, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2645,2646,2647, &end # # 106 ILE HB 107 ILE HN 3.50 (# 9318:10 Preassigned 2.98, 3.52 A) &rst ixpk= 9318, nxpk= 10, iat=1608,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 106 ILE HB 107 ILE HN 3.50 (# 9319:10 Preassigned 2.98, 3.52 A) &rst ixpk= 9319, nxpk= 10, iat=1608,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 110 PHE HB3 107 ILE HN 4.50 (# 9321:10 Double 0.00, 0.00) &rst ixpk= 9321, nxpk= 10, iat=1675,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET HA 107 ILE HN 4.50 (# 9322:10 Preassigned 3.51, 4.10 A) &rst ixpk= 9322, nxpk= 10, iat=1589,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 GLY HA2 107 ILE HN 4.50 (# 9324:10 Preassigned 2.33, 3.56 A) &rst ixpk= 9324, nxpk= 10, iat=1582,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HN 109 VAL HN 4.50 (# 9326:10 Preassigned 2.56, 2.87 A) &rst ixpk= 9326, nxpk= 10, iat=1670,1654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 ASP HB2 109 VAL HN 3.50 (# 9327:10 Preassigned 2.19, 3.48 A) &rst ixpk= 9327, nxpk= 10, iat=1646,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 108 ASP HB3 109 VAL HN 3.50 (# 9328:10 Preassigned 2.18, 2.63 A) &rst ixpk= 9328, nxpk= 10, iat=1647,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 109 VAL QQG 109 VAL HN 3.50 (# 9329:10 Preassigned 2.18, 3.94 A) &rst ixpk= 9329, nxpk= 10, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1660,1661,1662,1664,1665,1666, &end # # 109 VAL HN 110 PHE HN 3.50 (# 9330:10 Preassigned 2.56, 2.87 A) &rst ixpk= 9330, nxpk= 10, iat=1654,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 112 ARG HN 110 PHE HN 4.50 (# 9331:10 Preassigned 3.88, 4.70 A) &rst ixpk= 9331, nxpk= 10, iat=1701,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 VAL HN 111 SER HN 4.50 (# 9334:10 Preassigned 3.92, 4.60 A) &rst ixpk= 9334, nxpk= 10, iat=1654,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB2 111 SER HN 4.50 (# 9335:10 Preassigned 3.42, 3.93 A) &rst ixpk= 9335, nxpk= 10, iat=1674,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB3 111 SER HN 4.50 (# 9336:10 Preassigned 2.41, 3.36 A) &rst ixpk= 9336, nxpk= 10, iat=1675,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HN 113 TYR HN 3.50 (# 9337:10 Preassigned 2.55, 2.98 A) &rst ixpk= 9337, nxpk= 10, iat=1701,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 TYR HB2 114 SER HN 4.50 (# 9339:10 Preassigned 2.13, 2.67 A) &rst ixpk= 9339, nxpk= 10, iat=1729,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 123 LEU HG 114 SER HN 4.50 (# 9340:10 Preassigned 3.75, 5.16 A) &rst ixpk= 9340, nxpk= 10, iat=1860,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 TYR HN 114 SER HN 4.50 (# 9341:10 Preassigned 2.27, 3.40 A) &rst ixpk= 9341, nxpk= 10, iat=1725,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HB2 112 ARG HN 3.50 (# 9342:10 Preassigned 4.11, 4.51 A) &rst ixpk= 9342, nxpk= 10, iat=1705,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HN 134 LYS HN 3.50 (# 9343:10 Preassigned 1.99, 3.05 A) &rst ixpk= 9343, nxpk= 10, iat=2023,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 136 LEU QD1 135 GLU HN 4.50 (# 9344:10 Preassigned 3.51, 5.03 A) &rst ixpk= 9344, nxpk= 10, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2084,2085,2086, &end # # 173 VAL HA 174 ALA HN 4.50 (# 9346:10 Preassigned 3.55, 3.58 A) &rst ixpk= 9346, nxpk= 10, iat=2641,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 ALA HN 99 LEU HN 4.50 (# 9347:10 Preassigned 3.17, 4.08 A) &rst ixpk= 9347, nxpk= 10, iat=1543,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 123 LEU HB2 123 LEU HN 4.50 (# 9354:10 Preassigned 2.67, 3.25 A) &rst ixpk= 9354, nxpk= 10, iat=1857,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 167 SER HA 169 PHE HN 4.50 (# 9355:10 Preassigned 4.33, 4.76 A) &rst ixpk= 9355, nxpk= 10, iat=2540,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 GLN HB2 121 GLN HN 3.50 (# 9357:10 Preassigned 2.25, 2.93 A) &rst ixpk= 9357, nxpk= 10, iat=1826,1822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 121 GLN HB3 121 GLN HN 3.50 (# 9358:10 Preassigned 2.23, 2.98 A) &rst ixpk= 9358, nxpk= 10, iat=1827,1822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HB3 153 LEU HN 3.50 (# 9360:10 Preassigned 2.35, 3.52 A) &rst ixpk= 9360, nxpk= 10, iat=2322,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 186 LYS HB3 186 LYS HN 3.50 (# 9362:10 Preassigned 2.28, 3.30 A) &rst ixpk= 9362, nxpk= 10, iat=2840,2835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 186 LYS HB2 186 LYS HN 3.50 (# 9363:10 Preassigned 2.63, 3.32 A) &rst ixpk= 9363, nxpk= 10, iat=2839,2835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 172 PHE HB3 172 PHE HN 3.50 (# 9365:10 Preassigned 2.07, 2.32 A) &rst ixpk= 9365, nxpk= 10, iat=2624,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 131 LEU HB3 129 LYS HN 4.50 (# 9374:10 Preassigned 5.19, 5.45 A) &rst ixpk= 9374, nxpk= 10, iat=1992,1949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HG 141 GLN HN 4.50 (# 9377:10 Preassigned 4.13, 4.28 A) &rst ixpk= 9377, nxpk= 10, iat=2142,2154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 186 LYS QD 184 PHE HN 3.50 (# 9381:10 Preassigned 3.92, 4.82 A) &rst ixpk= 9381, nxpk= 10, iat= -1,2800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2845,2846, &end # # 132 MET HA 134 LYS HN 4.50 (# 9382:10 Preassigned 2.01, 3.85 A) &rst ixpk= 9382, nxpk= 10, iat=2008,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 153 LEU HN 152 LEU HN 3.50 (# 9389:10 Preassigned 2.13, 2.65 A) &rst ixpk= 9389, nxpk= 10, iat=2336,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 171 VAL HA 171 VAL HN 4.50 (# 9391:10 Preassigned 2.86, 2.91 A) &rst ixpk= 9391, nxpk= 10, iat=2605,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 96 MET HA 97 THR HN 4.50 (# 9392:10 Preassigned 2.28, 2.60 A) &rst ixpk= 9392, nxpk= 10, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS QD 135 GLU HN 4.50 (# 9394:10 Preassigned 4.80, 5.55 A) &rst ixpk= 9394, nxpk= 10, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2048,2049, &end # # 98 GLU HG2 99 LEU HN 4.50 (# 9395:10 Preassigned 3.16, 5.21 A) &rst ixpk= 9395, nxpk= 10, iat=1501,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE QG1 174 ALA HN 4.50 (# 9397:10 Preassigned 4.20, 5.43 A) &rst ixpk= 9397, nxpk= 10, iat= -1,2655, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2594,2595, &end # # 98 GLU HN 99 LEU HN 4.50 (# 9400:10 Preassigned 2.69, 3.07 A) &rst ixpk= 9400, nxpk= 10, iat=1494,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLU HG2 99 LEU HN 4.50 (# 9402:10 Preassigned 3.46, 4.66 A) &rst ixpk= 9402, nxpk= 10, iat=1535,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS HB3 125 LYS HN 4.50 (# 9406:10 Preassigned 2.28, 2.59 A) &rst ixpk= 9406, nxpk= 10, iat=1891,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE HA 166 PHE HN 3.50 (# 9407:10 Preassigned 2.75, 2.83 A) &rst ixpk= 9407, nxpk= 10, iat=2520,2518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 166 PHE QB 166 PHE HN 3.50 (# 9408:10 Preassigned 2.43, 3.14 A) &rst ixpk= 9408, nxpk= 10, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2522,2523, &end # # 122 THR HA 123 LEU HN 3.50 (# 9419:10 Preassigned 2.44, 2.65 A) &rst ixpk= 9419, nxpk= 10, iat=1841,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 123 LEU HA 123 LEU HN 4.50 (# 9420:10 Preassigned 2.88, 2.94 A) &rst ixpk= 9420, nxpk= 10, iat=1855,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 164 VAL HA 123 LEU HN 6.00 (# 9421:10 Preassigned 4.15, 4.39 A) &rst ixpk= 9421, nxpk= 10, iat=2492,1853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 96 MET QG 102 ALA HN 4.50 (# 9422:10 Preassigned 4.70, 5.50 A) &rst ixpk= 9422, nxpk= 10, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1470,1471, &end # # 103 MET HG3 102 ALA HN 4.50 (# 9423:10 Preassigned 4.70, 5.50 A) &rst ixpk= 9423, nxpk= 10, iat=1571,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 123 LEU HA 124 THR HN 3.50 (# 9424:10 Preassigned 2.07, 2.15 A) &rst ixpk= 9424, nxpk= 10, iat=1855,1872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 124 LEU HA 124 THR HN 3.50 (# 9425:10 Preassigned 2.07, 2.15 A) &rst ixpk= 9425, nxpk= 10, iat=1874,1872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 121 GLN HA 121 GLN HN 3.50 (# 9429:10 Preassigned 2.39, 2.62 A) &rst ixpk= 9429, nxpk= 10, iat=1824,1822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 172 PHE HB2 173 VAL HN 3.50 (# 9437:10 Preassigned 1.96, 3.15 A) &rst ixpk= 9437, nxpk= 10, iat=2623,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 173 VAL HA 173 VAL HN 3.50 (# 9439:10 Preassigned 2.78, 2.81 A) &rst ixpk= 9439, nxpk= 10, iat=2641,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 112 ARG HB2 109 VAL HN 4.50 (# 9441:10 Preassigned 5.24, 5.42 A) &rst ixpk= 9441, nxpk= 10, iat=1705,1654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HG2 109 VAL HN 4.50 (# 9442:10 Preassigned 4.11, 4.67 A) &rst ixpk= 9442, nxpk= 10, iat=1708,1654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 130 VAL HN 129 LYS HN 4.50 (# 9443:10 Preassigned 2.61, 2.80 A) &rst ixpk= 9443, nxpk= 10, iat=1971,1949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ILE QG1 108 ASP HN 4.50 (# 9445:10 Preassigned 4.70, 5.80 A) &rst ixpk= 9445, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1614,1615, &end # # 173 VAL QG2 172 PHE HN 4.50 (# 9450:10 Preassigned 4.88, 6.24 A) &rst ixpk= 9450, nxpk= 10, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2649,2650,2651, &end # # 100 GLU HB2 100 GLU HN 4.50 (# 9452:10 Preassigned 2.47, 2.79 A) &rst ixpk= 9452, nxpk= 10, iat=1532,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HB2 141 GLN HN 3.50 (# 9455:10 Preassigned 1.89, 2.42 A) &rst ixpk= 9455, nxpk= 10, iat=2139,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN HG3 162 ALA HN 4.50 (# 9456:10 Preassigned 4.47, 4.90 A) &rst ixpk= 9456, nxpk= 10, iat=2481,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 186 LYS HA 184 PHE HN 3.50 (# 9462:10 Preassigned 2.12, 2.29 A) &rst ixpk= 9462, nxpk= 10, iat=2837,2800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 151 LYS HN 152 LEU HN 3.50 (# 9468:10 Preassigned 2.15, 2.39 A) &rst ixpk= 9468, nxpk= 10, iat=2295,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 190 LYS HZ 190 LYS HN 4.50 (# 9478:10 Preassigned 2.77, 5.17 A) &rst ixpk= 9478, nxpk= 10, iat= -1,2897, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2913,2914,2915, &end # # 163 GLN HA 165 ASP HN 6.00 (# 9479:10 Preassigned 5.05, 5.41 A) &rst ixpk= 9479, nxpk= 10, iat=2475,2506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 168 GLU HB2 165 ASP HN 3.50 (# 9480:10 Preassigned 2.62, 3.30 A) &rst ixpk= 9480, nxpk= 10, iat=2553,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 124 THR HN 127 GLU HN 4.50 (# 9481:10 Preassigned 3.75, 4.05 A) &rst ixpk= 9481, nxpk= 10, iat=1872,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS HA 127 GLU HN 4.50 (# 9482:10 Preassigned 3.99, 4.25 A) &rst ixpk= 9482, nxpk= 10, iat=1888,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 161 ASP HN 162 ALA HN 4.50 (# 9485:10 Preassigned 2.88, 3.64 A) &rst ixpk= 9485, nxpk= 10, iat=2451,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 185 GLU HG3 185 GLU HN 4.50 (# 9489:10 Preassigned 3.58, 4.40 A) &rst ixpk= 9489, nxpk= 10, iat=2828,2820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 185 GLU HB3 185 GLU HN 3.50 (# 9490:10 Preassigned 2.39, 2.89 A) &rst ixpk= 9490, nxpk= 10, iat=2825,2820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 176 ILE QD 175 ALA HN 3.50 (# 9494:10 Double 0.00, 0.00) &rst ixpk= 9494, nxpk= 10, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2688,2689,2690, &end # # 173 VAL HA 175 ALA HN 6.00 (# 9495:10 Preassigned 3.78, 3.86 A) &rst ixpk= 9495, nxpk= 10, iat=2641,2665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 167 SER HA 168 GLU HN 3.50 (# 9496:10 Preassigned 3.37, 3.49 A) &rst ixpk= 9496, nxpk= 10, iat=2540,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 107 ILE HA 108 ASP HN 4.50 (# 9497:10 Preassigned 3.37, 3.52 A) &rst ixpk= 9497, nxpk= 10, iat=1625,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 ASP HB3 108 ASP HN 3.50 (# 9498:10 Preassigned 2.14, 2.52 A) &rst ixpk= 9498, nxpk= 10, iat=1647,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 127 GLU HN 128 LEU HN 6.00 (# 9500:10 Preassigned 2.12, 2.27 A) &rst ixpk= 9500, nxpk= 10, iat=1915,1930, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 127 GLU QG 128 LEU HN 4.50 (# 9501:10 Preassigned 2.60, 4.06 A) &rst ixpk= 9501, nxpk= 10, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1922,1923, &end # # 127 GLU QB 128 LEU HN 4.50 (# 9502:10 Preassigned 2.17, 3.39 A) &rst ixpk= 9502, nxpk= 10, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1919,1920, &end # # 123 LEU QQD 128 LEU HN 3.50 (# 9503:10 Preassigned 3.18, 5.23 A) &rst ixpk= 9503, nxpk= 10, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1862,1863,1864,1866,1867,1868, &end # # 163 GLN HG2 125 LYS HN 4.50 (# 9505:10 Preassigned 4.09, 4.42 A) &rst ixpk= 9505, nxpk= 10, iat=2480,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 123 LEU HG 123 LEU HN 4.50 (# 9507:10 Preassigned 3.48, 4.47 A) &rst ixpk= 9507, nxpk= 10, iat=1860,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 VAL HA 109 VAL HN 3.50 (# 9508:10 Preassigned 2.74, 2.85 A) &rst ixpk= 9508, nxpk= 10, iat=1656,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 109 VAL HA 109 VAL HN 3.50 (# 9509:10 Preassigned 2.74, 2.85 A) &rst ixpk= 9509, nxpk= 10, iat=1656,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 MET HG2 107 ILE HN 4.50 (# 9510:10 Preassigned 4.20, 4.77 A) &rst ixpk= 9510, nxpk= 10, iat=1570,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS HN 164 VAL HN 4.50 (# 9512:10 Preassigned 5.05, 5.44 A) &rst ixpk= 9512, nxpk= 10, iat=1886,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 162 ALA HA 160 GLY HN 6.00 (# 9515:10 Preassigned 6.08, 6.88 A) &rst ixpk= 9515, nxpk= 10, iat=2465,2444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 158 ALA QB 160 GLY HN 4.50 (# 9516:10 Preassigned 5.13, 5.81 A) &rst ixpk= 9516, nxpk= 10, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2424,2425,2426, &end # # 114 SER HN 115 GLY HN 4.50 (# 9518:10 Preassigned 2.60, 2.78 A) &rst ixpk= 9518, nxpk= 10, iat=1746,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 142 SER HA 143 GLY HN 4.50 (# 9519:10 Preassigned 4.02, 4.05 A) &rst ixpk= 9519, nxpk= 10, iat=2173,2182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 SER HA 115 GLY HN 3.50 (# 9520:10 Preassigned 2.90, 3.43 A) &rst ixpk= 9520, nxpk= 10, iat=1748,1757, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 140 LEU QQD 143 GLY HN 6.00 (# 9522:10 Preassigned 3.34, 5.91 A) &rst ixpk= 9522, nxpk= 10, iat= -1,2182, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2144,2145,2146,2148,2149,2150, &end # # 165 ASP HA 122 THR HN 4.50 (# 9523:10 Unique 4.47, 4.93 A) &rst ixpk= 9523, nxpk= 10, iat=2508,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN QB 122 THR HN 4.50 (# 9524:10 Preassigned 4.63, 5.93 A) &rst ixpk= 9524, nxpk= 10, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2477,2478, &end # # 179 ALA HA 180 SER HN 4.50 (# 9525:10 Preassigned 3.29, 3.49 A) &rst ixpk= 9525, nxpk= 10, iat=2721,2729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 122 THR HB 124 THR HN 4.50 (# 9527:10 Preassigned 3.36, 4.63 A) &rst ixpk= 9527, nxpk= 10, iat=1843,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 186 LYS HA 187 THR HN 3.50 (# 9528:10 Preassigned 2.53, 3.27 A) &rst ixpk= 9528, nxpk= 10, iat=2837,2857, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HB3 167 SER HN 6.00 (# 9530:10 Preassigned 4.76, 5.00 A) &rst ixpk= 9530, nxpk= 10, iat=2569,2538, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 167 SER HA 167 SER HN 3.50 (# 9531:10 Preassigned 2.86, 2.89 A) &rst ixpk= 9531, nxpk= 10, iat=2540,2538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 170 ILE QG2 167 SER HN 4.50 (# 9532:10 Preassigned 4.77, 5.71 A) &rst ixpk= 9532, nxpk= 10, iat= -1,2538, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2590,2591,2592, &end # # 107 ILE HA 111 SER HN 4.50 (# 9534:10 Unique 3.73, 4.85 A) &rst ixpk= 9534, nxpk= 10, iat=1625,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 120 THR HA 120 THR HN 3.50 (# 9536:10 Preassigned 2.63, 2.80 A) &rst ixpk= 9536, nxpk= 10, iat=1810,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 120 THR HB 120 THR HN 3.50 (# 9537:10 Preassigned 2.17, 2.98 A) &rst ixpk= 9537, nxpk= 10, iat=1812,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 104 GLY HA3 103 MET HN 6.00 (# 9538:10 Preassigned 4.29, 5.24 A) &rst ixpk= 9538, nxpk= 10, iat=1583,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 136 LEU HN 133 GLU HN 4.50 (# 9542:10 Preassigned 3.48, 5.34 A) &rst ixpk= 9542, nxpk= 10, iat=2075,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 118 GLY HA2 119 SER HN 4.50 (# 9543:10 Preassigned 3.46, 3.70 A) &rst ixpk= 9543, nxpk= 10, iat=1792,1797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE QG2 179 ALA HN 4.50 (# 9544:10 Double 0.00, 0.00) &rst ixpk= 9544, nxpk= 10, iat= -1,2719, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2681,2682,2683, &end # # 97 THR HB 99 LEU HN 4.50 (# 9545:10 Preassigned 3.36, 4.73 A) &rst ixpk= 9545, nxpk= 10, iat=1484,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE HN 169 PHE HN 4.50 (# 9546:10 Preassigned 2.69, 2.88 A) &rst ixpk= 9546, nxpk= 10, iat=2584,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 147 ASP HA 150 ASP HN 6.00 (# 9548:10 Preassigned 3.90, 4.99 A) &rst ixpk= 9548, nxpk= 10, iat=2247,2283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 150 ASP HA 150 ASP HN 3.50 (# 9549:10 Double 0.00, 0.00) &rst ixpk= 9549, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HN 154 LYS HN 4.50 (# 9553:10 Preassigned 3.99, 4.49 A) &rst ixpk= 9553, nxpk= 10, iat=2317,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 174 ALA HN 170 ILE HN 6.00 (# 9554:10 Preassigned 5.80, 6.03 A) &rst ixpk= 9554, nxpk= 10, iat=2655,2584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 107 ILE HA 170 ILE HN 4.50 (# 9556:10 Preassigned 5.23, 5.76 A) &rst ixpk= 9556, nxpk= 10, iat=1625,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 188 GLY QA 184 PHE HN 3.50 (# 9560:10 Double 0.00, 0.00) &rst ixpk= 9560, nxpk= 10, iat= -1,2800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2873,2874, &end # # 176 ILE QG2 177 THR HN 3.50 (# 9564:10 Preassigned 3.37, 4.56 A) &rst ixpk= 9564, nxpk= 10, iat= -1,2694, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2681,2682,2683, &end # # 173 VAL QG1 177 THR HN 4.50 (# 9565:10 Preassigned 4.23, 5.28 A) &rst ixpk= 9565, nxpk= 10, iat= -1,2694, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2645,2646,2647, &end # # 158 ALA HA 161 ASP HN 4.50 (# 9567:10 Preassigned 4.52, 5.07 A) &rst ixpk= 9567, nxpk= 10, iat=2422,2451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 141 GLN HE21 141 GLN HN 4.50 (# 9568:10 Preassigned 3.53, 4.16 A) &rst ixpk= 9568, nxpk= 10, iat=2166,2154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 174 ALA HN 173 VAL HN 4.50 (# 9570:10 Preassigned 2.76, 2.92 A) &rst ixpk= 9570, nxpk= 10, iat=2655,2639, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE HG2 173 VAL HN 3.50 (# 9572:10 0.00, 0.00) &rst ixpk= 9572, nxpk= 10, iat=2685,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 TYR HN 112 ARG HN 4.50 (# 9573:10 Double 0.00, 0.00) &rst ixpk= 9573, nxpk= 10, iat=1725,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 144 LYS HA 146 LYS HN 3.50 (# 9574:10 Preassigned 2.76, 3.55 A) &rst ixpk= 9574, nxpk= 10, iat=2191,2223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 110 PHE HA 110 PHE HN 3.50 (# 9577:10 Preassigned 2.18, 2.63 A) &rst ixpk= 9577, nxpk= 10, iat=1672,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 112 ARG HG2 110 PHE HN 4.50 (# 9578:10 Preassigned 4.38, 5.61 A) &rst ixpk= 9578, nxpk= 10, iat=1708,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 ILE HA 170 ILE HN 4.50 (# 9579:10 Preassigned 5.23, 5.76 A) &rst ixpk= 9579, nxpk= 10, iat=1625,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 169 PHE HB2 170 ILE HN 4.50 (# 9580:10 Preassigned 3.78, 4.04 A) &rst ixpk= 9580, nxpk= 10, iat=2568,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE QB 170 ILE HN 6.00 (# 9582:10 Unique 5.06, 5.90 A) &rst ixpk= 9582, nxpk= 10, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2522,2523, &end # # 172 PHE HB2 173 VAL HN 3.50 (# 9586:10 Preassigned 1.96, 3.15 A) &rst ixpk= 9586, nxpk= 10, iat=2623,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 180 SER HN 176 ILE HN 6.00 (# 9587:10 Preassigned 5.78, 6.07 A) &rst ixpk= 9587, nxpk= 10, iat=2729,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 173 VAL HN 176 ILE HN 6.00 (# 9589:10 Preassigned 4.79, 4.89 A) &rst ixpk= 9589, nxpk= 10, iat=2639,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 174 ALA HN 176 ILE HN 6.00 (# 9590:10 Preassigned 4.16, 4.42 A) &rst ixpk= 9590, nxpk= 10, iat=2655,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 173 VAL HA 176 ILE HN 6.00 (# 9592:10 Preassigned 3.07, 3.23 A) &rst ixpk= 9592, nxpk= 10, iat=2641,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 172 PHE HB2 176 ILE HN 6.00 (# 9593:10 Preassigned 5.81, 6.20 A) &rst ixpk= 9593, nxpk= 10, iat=2623,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 151 LYS HN 150 ASP HN 3.50 (# 9595:10 Preassigned 2.39, 2.80 A) &rst ixpk= 9595, nxpk= 10, iat=2295,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 MET HN 131 LEU HN 4.50 (# 9596:10 Preassigned 2.23, 3.11 A) &rst ixpk= 9596, nxpk= 10, iat=2006,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 130 VAL HN 131 LEU HN 4.50 (# 9597:10 Preassigned 1.97, 2.30 A) &rst ixpk= 9597, nxpk= 10, iat=1971,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS HG3 131 LEU HN 4.50 (# 9599:10 Preassigned 4.54, 5.00 A) &rst ixpk= 9599, nxpk= 10, iat=2046,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS HG2 131 LEU HN 4.50 (# 9600:10 Preassigned 4.62, 4.99 A) &rst ixpk= 9600, nxpk= 10, iat=2045,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 GLU HA 117 GLU HN 3.50 (# 9601:10 Preassigned 2.55, 2.88 A) &rst ixpk= 9601, nxpk= 10, iat=1777,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 SER HA 117 GLU HN 3.50 (# 9602:10 Preassigned 2.15, 3.22 A) &rst ixpk= 9602, nxpk= 10, iat=1766,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 145 ASP HN 146 LYS HN 3.50 (# 9603:10 Preassigned 2.20, 2.82 A) &rst ixpk= 9603, nxpk= 10, iat=2211,2223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 136 LEU HA 136 LEU HN 6.00 (# 9604:10 Preassigned 2.05, 2.73 A) &rst ixpk= 9604, nxpk= 10, iat=2077,2075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 107 ILE HA 107 ILE HN 4.50 (# 9605:10 Preassigned 2.87, 2.91 A) &rst ixpk= 9605, nxpk= 10, iat=1625,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 ILE HA 107 ILE HN 4.50 (# 9606:10 Preassigned 2.87, 2.91 A) &rst ixpk= 9606, nxpk= 10, iat=1625,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB2 107 ILE HN 6.00 (# 9607:10 Preassigned 5.37, 6.08 A) &rst ixpk= 9607, nxpk= 10, iat=1674,1623, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 184 PHE QB 186 LYS HN 3.50 (# 9608:10 Preassigned 2.79, 4.36 A) &rst ixpk= 9608, nxpk= 10, iat= -1,2835, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2804,2805, &end # # 154 LYS HN 155 ASP HN 3.50 (# 9609:10 Preassigned 2.77, 3.15 A) &rst ixpk= 9609, nxpk= 10, iat=2355,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 157 ASP HN 155 ASP HN 4.50 (# 9610:10 Preassigned 4.27, 4.44 A) &rst ixpk= 9610, nxpk= 10, iat=2408,2377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 162 ALA HA 163 GLN HN 3.50 (# 9611:10 Preassigned 3.44, 3.54 A) &rst ixpk= 9611, nxpk= 10, iat=2465,2473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 MET HG2 131 LEU HN 3.50 (# 9613:10 Preassigned 3.17, 4.08 A) &rst ixpk= 9613, nxpk= 10, iat=2013,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 97 THR QG 100 GLU HN 3.50 (# 9614:10 Preassigned 3.34, 4.75 A) &rst ixpk= 9614, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1486,1487,1488, &end # # 165 ASP HB3 165 ASP HN 4.50 (# 9615:10 Preassigned 2.27, 2.93 A) &rst ixpk= 9615, nxpk= 10, iat=2511,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 177 THR HN 176 ILE HN 4.50 (# 9616:10 Preassigned 2.51, 2.69 A) &rst ixpk= 9616, nxpk= 10, iat=2694,2675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 118 GLY HN 120 THR HN 4.50 (# 9617:10 Preassigned 4.81, 6.77 A) &rst ixpk= 9617, nxpk= 10, iat=1790,1808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 164 VAL QG2 163 GLN HN 4.50 (# 9618:10 Preassigned 4.64, 5.93 A) &rst ixpk= 9618, nxpk= 10, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2500,2501,2502, &end # # 100 GLU HG3 101 ALA HN 4.50 (# 9620:10 Preassigned 3.35, 4.49 A) &rst ixpk= 9620, nxpk= 10, iat=1536,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN HG3 125 LYS HN 4.50 (# 9621:10 Preassigned 4.32, 4.97 A) &rst ixpk= 9621, nxpk= 10, iat=2481,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HG3 170 ILE HN 6.00 (# 9622:10 Preassigned 4.89, 5.53 A) &rst ixpk= 9622, nxpk= 10, iat=2557,2584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 128 LEU QD1 150 ASP HN 4.50 (# 9627:10 Preassigned 5.33, 6.64 A) &rst ixpk= 9627, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1939,1940,1941, &end # # 123 LEU QQD 124 THR HN 4.50 (# 9628:10 Preassigned 3.90, 5.74 A) &rst ixpk= 9628, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 123 LEU HB2 124 THR HN 4.50 (# 9629:10 Preassigned 2.73, 3.80 A) &rst ixpk= 9629, nxpk= 10, iat=1857,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 167 SER HA 171 VAL HN 4.50 (# 9631:10 Preassigned 4.06, 4.40 A) &rst ixpk= 9631, nxpk= 10, iat=2540,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU QG 127 GLU HN 3.50 (# 9632:10 Preassigned 2.33, 4.00 A) &rst ixpk= 9632, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1922,1923, &end # # 127 GLU QB 127 GLU HN 4.50 (# 9633:10 Preassigned 2.12, 2.72 A) &rst ixpk= 9633, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1919,1920, &end # # 106 ILE QD 103 MET HN 4.50 (# 9637:10 Preassigned 3.82, 5.15 A) &rst ixpk= 9637, nxpk= 10, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1617,1618,1619, &end # # 179 ALA HA 178 SER HN 6.00 (# 9641:10 Preassigned 4.99, 5.24 A) &rst ixpk= 9641, nxpk= 10, iat=2721,2708, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 162 ALA HA 162 ALA HN 4.50 (# 9644:10 Preassigned 2.73, 2.86 A) &rst ixpk= 9644, nxpk= 10, iat=2465,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 126 GLY QA 128 LEU HN 4.50 (# 9645:10 Preassigned 4.57, 4.88 A) &rst ixpk= 9645, nxpk= 10, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1910,1911, &end # # 150 ASP HA 150 ASP HN 4.50 (# 9648:10 Preassigned 2.14, 2.62 A) &rst ixpk= 9648, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 116 SER QB 117 GLU HN 3.50 (# 9649:10 Preassigned 2.32, 3.54 A) &rst ixpk= 9649, nxpk= 10, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1768,1769, &end # # 123 LEU HG 114 SER HN 4.50 (# 9659:10 Preassigned 3.75, 5.16 A) &rst ixpk= 9659, nxpk= 10, iat=1860,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 ILE QG2 108 ASP HN 4.50 (# 9666:10 Preassigned 3.12, 4.27 A) &rst ixpk= 9666, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1629,1630,1631, &end # # 153 LEU QD1 164 VAL HN 3.50 (# 9667:10 Unique 2.57, 4.62 A) &rst ixpk= 9667, nxpk= 10, iat= -1,2490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2345,2346,2347, &end # # 178 SER HA 178 SER HN 4.50 (# 9671:10 Preassigned 2.86, 2.90 A) &rst ixpk= 9671, nxpk= 10, iat=2710,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE QD 107 ILE HN 4.50 (# 9672:10 Preassigned 3.44, 4.55 A) &rst ixpk= 9672, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2597,2598,2599, &end # # 170 ILE QD 107 ILE HN 4.50 (# 9673:10 Preassigned 3.44, 4.55 A) &rst ixpk= 9673, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2597,2598,2599, &end # # 187 THR HA 188 GLY HN 4.50 (# 9677:10 Preassigned 2.19, 3.41 A) &rst ixpk= 9677, nxpk= 10, iat=2859,2871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 188 GLY QA 188 GLY HN 4.50 (# 9678:10 Preassigned 2.31, 2.69 A) &rst ixpk= 9678, nxpk= 10, iat= -1,2871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2873,2874, &end # # 189 LEU HN 184 PHE HN 4.50 (# 9679:10 Double 0.00, 0.00) &rst ixpk= 9679, nxpk= 10, iat=2878,2800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 GLY HN 105 MET HN 4.50 (# 9680:10 Preassigned 2.20, 2.87 A) &rst ixpk= 9680, nxpk= 10, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU HA 127 GLU HN 4.50 (# 9683:10 Preassigned 2.90, 2.95 A) &rst ixpk= 9683, nxpk= 10, iat=1917,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 120 THR HB 120 THR HN 3.50 (# 9687:10 Preassigned 2.17, 2.98 A) &rst ixpk= 9687, nxpk= 10, iat=1812,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 174 ALA HA 178 SER HN 4.50 (# 9691:10 Preassigned 4.64, 4.83 A) &rst ixpk= 9691, nxpk= 10, iat=2657,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 172 PHE HA 173 VAL HN 3.50 (# 9692:10 Preassigned 3.50, 3.55 A) &rst ixpk= 9692, nxpk= 10, iat=2621,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 148 ALA QB 149 VAL HN 4.50 (# 9695:10 Preassigned 3.28, 4.14 A) &rst ixpk= 9695, nxpk= 10, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2261,2262,2263, &end # # 154 LYS HG2 154 LYS HN 3.50 (# 9696:10 Preassigned 2.37, 2.63 A) &rst ixpk= 9696, nxpk= 10, iat=2362,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 123 LEU HG 127 GLU HN 4.50 (# 9697:10 Preassigned 5.25, 5.75 A) &rst ixpk= 9697, nxpk= 10, iat=1860,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 GLU HA 121 GLN HN 4.50 (# 9704:10 Double 0.00, 0.00) &rst ixpk= 9704, nxpk= 10, iat=1777,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE HN 12 ILE HA 6.00 (# 24:20 Preassigned 2.87, 2.91 A) &rst ixpk= 24, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, rk2=40.0, rk3=40.0, ir6=1, ialtd=0, &end # # 27 THR HA 27 THR HB 4.50 (# 68:20 Preassigned 2.27, 2.40 A) &rst ixpk= 68, nxpk= 20, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN HA 27 THR HB 6.00 (# 69:20 Preassigned 3.11, 3.43 A) &rst ixpk= 69, nxpk= 20, iat=1016, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 GLN HA 27 THR HB 6.00 (# 70:20 Preassigned 3.11, 3.43 A) &rst ixpk= 70, nxpk= 20, iat=1016, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 VAL HN 76 VAL HA 6.00 (# 94:20 Preassigned 2.86, 2.91 A) &rst ixpk= 94, nxpk= 20, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 12 ILE HA 4.50 (# 101:20 Preassigned 2.29, 3.76 A) &rst ixpk= 101, nxpk= 20, iat=1115, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE QE 15 PHE HA 6.00 (# 117:20 Preassigned 4.41, 5.23 A) &rst ixpk= 117, nxpk= 20, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 221, 225, &end # # 74 PHE HE1 15 PHE HA 6.00 (# 118:20 Preassigned 5.03, 5.38 A) &rst ixpk= 118, nxpk= 20, iat=1115, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 75 ILE HA 6.00 (# 120:20 Preassigned 3.66, 4.30 A) &rst ixpk= 120, nxpk= 20, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 74 PHE HA 4.50 (# 136:20 Preassigned 5.54, 5.80 A) &rst ixpk= 136, nxpk= 20, iat=1115,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 29 THR HB 29 THR HA 4.50 (# 141:20 Preassigned 2.46, 2.48 A) &rst ixpk= 141, nxpk= 20, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN HA 29 THR HA 4.50 (# 142:20 Preassigned 2.20, 2.43 A) &rst ixpk= 142, nxpk= 20, iat=1016, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 24 SER HB2 27 THR HB 6.00 (# 204:20 Double Ambig) &rst ixpk= 204, nxpk= 20, iat= 342, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 GLN HG2 27 THR HB 6.00 (# 206:20 Preassigned 2.62, 3.99 A) &rst ixpk= 206, nxpk= 20, iat=1021, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 GLN HG3 27 THR HB 6.00 (# 208:20 Preassigned 4.28, 5.19 A) &rst ixpk= 208, nxpk= 20, iat=1022, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 GLN QB 27 THR HB 4.50 (# 209:20 Preassigned 2.60, 3.48 A) &rst ixpk= 209, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1018,1019, &end # # 2 THR HA 2 THR HB 4.50 (# 229:20 Preassigned 2.30, 2.51 A) &rst ixpk= 229, nxpk= 20, iat= 23, 25, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 86 HIS HB3 92 THR HB 6.00 (# 238:20 Unique 2.44, 5.78 A) &rst ixpk= 238, nxpk= 20, iat=1286,1402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 89 PHE QB 92 THR HB 6.00 (# 239:20 Double Ambig) &rst ixpk= 239, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1345,1346, &end # # 79 ALA HA 82 THR HB 3.50 (# 261:20 Preassigned 2.38, 3.76 A) &rst ixpk= 261, nxpk= 20, iat=1198,1239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 82 THR HA 82 THR HB 4.50 (# 263:20 Preassigned 2.37, 2.57 A) &rst ixpk= 263, nxpk= 20, iat=1237,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HB 82 THR HB 6.00 (# 264:20 Preassigned 3.99, 5.26 A) &rst ixpk= 264, nxpk= 20, iat=1220,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 79 ALA QB 82 THR HB 6.00 (# 266:20 Preassigned 4.31, 6.11 A) &rst ixpk= 266, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1200,1201,1202, &end # # 17 ARG HA 14 VAL HA 6.00 (# 267:20 Preassigned 4.27, 5.05 A) &rst ixpk= 267, nxpk= 20, iat= 244, 197, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 ARG HD2 14 VAL HA 4.50 (# 271:20 Preassigned 2.33, 3.30 A) &rst ixpk= 271, nxpk= 20, iat= 252, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 VAL HB 14 VAL HA 4.50 (# 272:20 Preassigned 2.56, 2.88 A) &rst ixpk= 272, nxpk= 20, iat= 199, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HB2 14 VAL HA 4.50 (# 273:20 Preassigned 2.43, 3.46 A) &rst ixpk= 273, nxpk= 20, iat= 246, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HB3 14 VAL HA 4.50 (# 274:20 Preassigned 3.95, 4.60 A) &rst ixpk= 274, nxpk= 20, iat= 247, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HG2 14 VAL HA 4.50 (# 275:20 Preassigned 2.02, 3.30 A) &rst ixpk= 275, nxpk= 20, iat= 249, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 THR HB 82 THR HA 4.50 (# 278:20 Preassigned 2.37, 2.57 A) &rst ixpk= 278, nxpk= 20, iat=1239,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 GLU HA 42 PRO HA 6.00 (# 280:20 Preassigned 2.42, 4.50 A) &rst ixpk= 280, nxpk= 20, iat= 566, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 79 ALA HA 76 VAL HA 6.00 (# 281:20 Preassigned 5.03, 5.37 A) &rst ixpk= 281, nxpk= 20, iat=1198,1146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 PRO HD2 42 PRO HA 6.00 (# 282:20 Preassigned 3.51, 3.67 A) &rst ixpk= 282, nxpk= 20, iat= 636, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 38 GLU QG 42 PRO HA 6.00 (# 289:20 Double Ambig) &rst ixpk= 289, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 571, 572, &end # # 14 VAL HB 11 ILE HA 4.50 (# 290:20 Preassigned 2.53, 2.91 A) &rst ixpk= 290, nxpk= 20, iat= 199, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HB 78 VAL HA 3.50 (# 294:20 Preassigned 2.73, 2.86 A) &rst ixpk= 294, nxpk= 20, iat=1220,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 VAL HB 78 VAL HA 4.50 (# 296:20 Preassigned 2.93, 2.97 A) &rst ixpk= 296, nxpk= 20, iat=1184,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA QB 76 VAL HA 4.50 (# 299:20 Preassigned 2.10, 3.56 A) &rst ixpk= 299, nxpk= 20, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1200,1201,1202, &end # # 42 PRO HD3 42 PRO HA 6.00 (# 306:20 Preassigned 2.29, 2.94 A) &rst ixpk= 306, nxpk= 20, iat= 637, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 15 PHE HB2 12 ILE HA 4.50 (# 307:20 Preassigned 3.13, 3.82 A) &rst ixpk= 307, nxpk= 20, iat= 215, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HB3 12 ILE HA 4.50 (# 310:20 Preassigned 2.09, 2.61 A) &rst ixpk= 310, nxpk= 20, iat= 216, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HB2 42 PRO HA 4.50 (# 312:20 Preassigned 2.35, 2.76 A) &rst ixpk= 312, nxpk= 20, iat= 642, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 VAL HB 54 VAL HA 4.50 (# 313:20 Preassigned 2.97, 3.01 A) &rst ixpk= 313, nxpk= 20, iat= 812, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HB3 42 PRO HA 4.50 (# 316:20 Preassigned 2.32, 2.63 A) &rst ixpk= 316, nxpk= 20, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 LEU HB2 54 VAL HA 4.50 (# 317:20 Preassigned 2.50, 3.73 A) &rst ixpk= 317, nxpk= 20, iat= 862, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HB2 42 PRO HA 4.50 (# 318:20 Preassigned 3.75, 5.28 A) &rst ixpk= 318, nxpk= 20, iat= 680, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE HB 12 ILE HA 3.50 (# 319:20 Preassigned 2.99, 3.00 A) &rst ixpk= 319, nxpk= 20, iat= 168, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HG 54 VAL HA 4.50 (# 320:20 Preassigned 2.69, 4.01 A) &rst ixpk= 320, nxpk= 20, iat= 865, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET HG2 54 VAL HA 6.00 (# 326:20 Double Ambig) &rst ixpk= 326, nxpk= 20, iat= 554, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HB3 24 SER HB3 4.50 (# 338:20 Double Ambig) &rst ixpk= 338, nxpk= 20, iat= 321, 343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 24 SER HA 24 SER HB2 3.50 (# 342:20 Preassigned 2.48, 2.91 A) &rst ixpk= 342, nxpk= 20, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 SER HA 21 SER QB 3.50 (# 343:20 Preassigned 2.35, 2.70 A) &rst ixpk= 343, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 309, 310, &end # # 50 ASP HB3 47 SER QB 6.00 (# 354:20 Preassigned 4.74, 6.64 A) &rst ixpk= 354, nxpk= 20, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 716, 717, &end # # 22 GLU HB2 21 SER QB 4.50 (# 360:20 Preassigned 3.64, 5.44 A) &rst ixpk= 360, nxpk= 20, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 309, 310, &end # # 26 GLN HB3 19 SER HB2 6.00 (# 361:20 Double Ambig) &rst ixpk= 361, nxpk= 20, iat= 368, 291, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HB3 21 SER QB 4.50 (# 362:20 Double Ambig) &rst ixpk= 362, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 309, 310, &end # # 19 SER HA 19 SER HB2 4.50 (# 368:20 Preassigned 2.26, 2.51 A) &rst ixpk= 368, nxpk= 20, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 SER HA 19 SER HB3 6.00 (# 369:20 Preassigned 2.48, 2.80 A) &rst ixpk= 369, nxpk= 20, iat= 289, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 19 SER HA 15 PHE HA 4.50 (# 370:20 Double Ambig) &rst ixpk= 370, nxpk= 20, iat= 289, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 24 SER HB2 19 SER HB2 4.50 (# 371:20 Preassigned 3.85, 5.26 A) &rst ixpk= 371, nxpk= 20, iat= 342, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 PHE QB 19 SER HB2 6.00 (# 387:20 Unique 3.97, 6.97 A) &rst ixpk= 387, nxpk= 20, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1063,1064, &end # # 26 GLN QG 19 SER HB2 6.00 (# 388:20 Preassigned 2.58, 4.37 A) &rst ixpk= 388, nxpk= 20, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 370, 371, &end # # 15 PHE HB2 15 PHE HA 4.50 (# 402:20 Preassigned 2.38, 2.69 A) &rst ixpk= 402, nxpk= 20, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HB3 15 PHE HA 4.50 (# 403:20 Preassigned 2.26, 2.79 A) &rst ixpk= 403, nxpk= 20, iat= 216, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 PHE HB3 75 ILE HA 6.00 (# 405:20 Preassigned 6.16, 6.54 A) &rst ixpk= 405, nxpk= 20, iat= 216,1127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 18 TYR HB3 15 PHE HA 6.00 (# 408:20 Preassigned 2.15, 3.77 A) &rst ixpk= 408, nxpk= 20, iat= 271, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 81 ILE HB 81 ILE HA 4.50 (# 410:20 Preassigned 2.97, 3.02 A) &rst ixpk= 410, nxpk= 20, iat=1220,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HB2 15 PHE HA 6.00 (# 411:20 Preassigned 4.55, 4.98 A) &rst ixpk= 411, nxpk= 20, iat= 246, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 78 VAL HB 75 ILE HA 4.50 (# 413:20 Preassigned 2.12, 2.56 A) &rst ixpk= 413, nxpk= 20, iat=1184,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HB 75 ILE HA 4.50 (# 415:20 Preassigned 2.47, 2.58 A) &rst ixpk= 415, nxpk= 20, iat=1129,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ALA QB 81 ILE HA 3.50 (# 416:20 Preassigned 2.12, 3.17 A) &rst ixpk= 416, nxpk= 20, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1264,1265,1266, &end # # 71 PHE QB 71 PHE HA 4.50 (# 426:20 Preassigned 2.25, 2.43 A) &rst ixpk= 426, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1063,1064, &end # # 89 PHE QB 92 THR HA 6.00 (# 427:20 Unique 2.27, 5.23 A) &rst ixpk= 427, nxpk= 20, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1345,1346, &end # # 26 GLN QG 25 THR HA 6.00 (# 429:20 Preassigned 3.13, 4.88 A) &rst ixpk= 429, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 370, 371, &end # # 91 LYS QD 92 THR HA 6.00 (# 435:20 Double Ambig) &rst ixpk= 435, nxpk= 20, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1386,1387, &end # # 75 ILE HB 71 PHE HA 6.00 (# 436:20 Preassigned 4.55, 4.86 A) &rst ixpk= 436, nxpk= 20, iat=1129,1061, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 PHE HB2 77 PHE HA 3.50 (# 439:20 Preassigned 2.21, 2.55 A) &rst ixpk= 439, nxpk= 20, iat=1164,1162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 PHE HB3 77 PHE HA 3.50 (# 441:20 Preassigned 2.28, 2.72 A) &rst ixpk= 441, nxpk= 20, iat=1165,1162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 LEU HB2 30 LYS HA 3.50 (# 445:20 Preassigned 2.26, 3.23 A) &rst ixpk= 445, nxpk= 20, iat= 475, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 LYS HB3 30 LYS HA 3.50 (# 448:20 Preassigned 2.51, 2.94 A) &rst ixpk= 448, nxpk= 20, iat= 432, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 LYS QG 30 LYS HA 3.50 (# 449:20 Preassigned 2.42, 2.79 A) &rst ixpk= 449, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 434, 435, &end # # 80 ALA QB 77 PHE HA 3.50 (# 450:20 Preassigned 3.08, 4.25 A) &rst ixpk= 450, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1210,1211,1212, &end # # 74 PHE HB2 74 PHE HA 3.50 (# 452:20 Preassigned 2.32, 2.41 A) &rst ixpk= 452, nxpk= 20, iat=1109,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HB3 74 PHE HA 3.50 (# 453:20 Preassigned 3.01, 3.03 A) &rst ixpk= 453, nxpk= 20, iat=1110,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN HG3 29 THR HA 6.00 (# 457:20 Preassigned 2.72, 3.51 A) &rst ixpk= 457, nxpk= 20, iat=1022, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 30 LYS QG 29 THR HA 6.00 (# 458:20 Preassigned 6.30, 6.58 A) &rst ixpk= 458, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 434, 435, &end # # 27 THR QG 27 THR HB 4.50 (# 481:20 Preassigned 2.33, 2.66 A) &rst ixpk= 481, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 92 THR QG 92 THR HB 3.50 (# 492:20 Preassigned 2.33, 2.65 A) &rst ixpk= 492, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1404,1405,1406, &end # # 25 THR QG 25 THR HB 3.50 (# 495:20 Preassigned 2.36, 2.66 A) &rst ixpk= 495, nxpk= 20, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 355, 356, 357, &end # # 82 THR QG 82 THR HB 4.50 (# 504:20 Preassigned 2.23, 2.64 A) &rst ixpk= 504, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1241,1242,1243, &end # # 14 VAL QQG 14 VAL HA 3.50 (# 508:20 Preassigned 2.21, 3.24 A) &rst ixpk= 508, nxpk= 20, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 201, 202, 203, 205, 206, 207, &end # # 76 VAL QG1 76 VAL HA 3.50 (# 513:20 Preassigned 2.33, 3.03 A) &rst ixpk= 513, nxpk= 20, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1150,1151,1152, &end # # 76 VAL QG2 76 VAL HA 3.50 (# 515:20 Preassigned 2.41, 3.26 A) &rst ixpk= 515, nxpk= 20, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1154,1155,1156, &end # # 78 VAL QG2 78 VAL HA 3.50 (# 516:20 Preassigned 2.13, 2.83 A) &rst ixpk= 516, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1190,1191,1192, &end # # 54 VAL QG1 54 VAL HA 3.50 (# 521:20 Preassigned 2.48, 3.27 A) &rst ixpk= 521, nxpk= 20, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 814, 815, 816, &end # # 45 LEU QQD 42 PRO HA 4.50 (# 522:20 Preassigned 3.68, 6.55 A) &rst ixpk= 522, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 685, 686, 687, 689, 690, 691, &end # # 82 THR QG 82 THR HA 3.50 (# 523:20 Preassigned 2.53, 3.35 A) &rst ixpk= 523, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1241,1242,1243, &end # # 12 ILE QG2 12 ILE HA 3.50 (# 524:20 Preassigned 2.75, 3.47 A) &rst ixpk= 524, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 170, 171, 172, &end # # 75 ILE QG2 12 ILE HA 4.50 (# 525:20 Double Ambig) &rst ixpk= 525, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1131,1132,1133, &end # # 29 THR QG 24 SER HB3 4.50 (# 540:20 Double Ambig) &rst ixpk= 540, nxpk= 20, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 419, 420, 421, &end # # 27 THR QG 24 SER HB3 3.50 (# 541:20 Unique 2.57, 5.17 A) &rst ixpk= 541, nxpk= 20, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 386, 387, 388, &end # # 27 THR QG 24 SER HB2 4.50 (# 542:20 Double Ambig) &rst ixpk= 542, nxpk= 20, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 54 VAL QG2 47 SER QB 4.50 (# 545:20 Double Ambig) &rst ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 818, 819, 820, igr2= 716, 717, &end # # 81 ILE QD 81 ILE HA 3.50 (# 549:20 Double Ambig) &rst ixpk= 549, nxpk= 20, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1229,1230,1231, &end # # 28 LEU QQD 19 SER HB2 4.50 (# 551:20 Preassigned 3.13, 5.85 A) &rst ixpk= 551, nxpk= 20, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 28 LEU QQD 19 SER HB3 4.50 (# 552:20 Preassigned 2.82, 5.83 A) &rst ixpk= 552, nxpk= 20, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 14 VAL QQG 15 PHE HA 4.50 (# 553:20 Preassigned 3.59, 5.85 A) &rst ixpk= 553, nxpk= 20, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 201, 202, 203, 205, 206, 207, &end # # 11 ILE QG1 75 ILE HA 6.00 (# 554:20 Double Ambig) &rst ixpk= 554, nxpk= 20, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 155, 156, &end # # 81 ILE QG2 81 ILE HA 3.50 (# 555:20 Double Ambig) &rst ixpk= 555, nxpk= 20, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1222,1223,1224, &end # # 75 ILE QG1 75 ILE HA 4.50 (# 556:20 Preassigned 2.12, 3.15 A) &rst ixpk= 556, nxpk= 20, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1135,1136, &end # # 36 LEU QD2 15 PHE HA 4.50 (# 557:20 Preassigned 2.40, 5.11 A) &rst ixpk= 557, nxpk= 20, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 541, 542, 543, &end # # 75 ILE QD 75 ILE HA 3.50 (# 558:20 Preassigned 3.46, 4.63 A) &rst ixpk= 558, nxpk= 20, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1138,1139,1140, &end # # 25 THR QG 25 THR HA 4.50 (# 561:20 Preassigned 2.48, 3.34 A) &rst ixpk= 561, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 355, 356, 357, &end # # 69 VAL QG1 71 PHE HA 6.00 (# 563:20 Double Ambig) &rst ixpk= 563, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1037,1038,1039, &end # # 92 THR QG 92 THR HA 4.50 (# 564:20 Preassigned 2.36, 3.61 A) &rst ixpk= 564, nxpk= 20, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1404,1405,1406, &end # # 75 ILE QG2 71 PHE HA 6.00 (# 568:20 Preassigned 5.26, 6.59 A) &rst ixpk= 568, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1131,1132,1133, &end # # 28 LEU QQD 71 PHE HA 6.00 (# 569:20 Preassigned 5.26, 6.87 A) &rst ixpk= 569, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 403, 404, 405, 407, 408, 409, &end # # 58 LEU QD1 30 LYS HA 3.50 (# 572:20 Preassigned 4.62, 6.00 A) &rst ixpk= 572, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 886, 887, 888, &end # # 81 ILE QD 77 PHE HA 3.50 (# 575:20 Double Ambig) &rst ixpk= 575, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1229,1230,1231, &end # # 33 LEU QD2 30 LYS HA 3.50 (# 576:20 Double Ambig) &rst ixpk= 576, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 484, 485, 486, &end # # 33 LEU QD2 30 LYS HA 3.50 (# 577:20 Preassigned 2.25, 3.25 A) &rst ixpk= 577, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 484, 485, 486, &end # # 29 THR QG 29 THR HA 4.50 (# 578:20 Preassigned 3.79, 3.97 A) &rst ixpk= 578, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 419, 420, 421, &end # # 69 VAL QG1 74 PHE HA 3.50 (# 580:20 Preassigned 4.71, 6.44 A) &rst ixpk= 580, nxpk= 20, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1037,1038,1039, &end # # 69 VAL QG2 74 PHE HA 4.50 (# 582:20 Preassigned 4.48, 5.38 A) &rst ixpk= 582, nxpk= 20, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 18 TYR HN 18 TYR HA 6.00 (# 635:20 Preassigned 2.48, 2.70 A) &rst ixpk= 635, nxpk= 20, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 15 PHE QE 74 PHE HA 4.50 (# 636:20 Preassigned 4.05, 4.56 A) &rst ixpk= 636, nxpk= 20, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 221, 225, &end # # 15 PHE QE 27 THR HA 6.00 (# 644:20 Preassigned 3.39, 4.60 A) &rst ixpk= 644, nxpk= 20, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 221, 225, &end # # 15 PHE HZ 27 THR HA 6.00 (# 647:20 Preassigned 1.96, 3.31 A) &rst ixpk= 647, nxpk= 20, iat= 223, 382, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 15 PHE QE 70 ASP HA 6.00 (# 767:20 Preassigned 3.53, 4.76 A) &rst ixpk= 767, nxpk= 20, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 221, 225, &end # # 15 PHE HZ 70 ASP HA 6.00 (# 768:20 Preassigned 2.36, 3.58 A) &rst ixpk= 768, nxpk= 20, iat= 223,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 GLU HA 42 PRO HD2 6.00 (# 775:20 Preassigned 2.41, 3.85 A) &rst ixpk= 775, nxpk= 20, iat= 603, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 GLU HA 42 PRO HD3 6.00 (# 776:20 Preassigned 2.88, 3.81 A) &rst ixpk= 776, nxpk= 20, iat= 603, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 LEU HA 28 LEU HB2 6.00 (# 789:20 Preassigned 2.57, 2.84 A) &rst ixpk= 789, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 LEU HA 28 LEU HB3 4.50 (# 790:20 Preassigned 2.16, 2.35 A) &rst ixpk= 790, nxpk= 20, iat= 396, 399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 PHE QB 37 MET HA 4.50 (# 816:20 Double Ambig) &rst ixpk= 816, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 660, 661, &end # # 18 TYR HB2 18 TYR HA 3.50 (# 817:20 Preassigned 2.35, 2.66 A) &rst ixpk= 817, nxpk= 20, iat= 270, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 MET HG2 37 MET HA 4.50 (# 818:20 Preassigned 2.15, 3.11 A) &rst ixpk= 818, nxpk= 20, iat= 554, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET HG2 34 LYS HA 3.50 (# 819:20 Preassigned 2.17, 2.85 A) &rst ixpk= 819, nxpk= 20, iat= 554, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 TYR HB3 18 TYR HA 3.50 (# 821:20 Preassigned 2.38, 2.71 A) &rst ixpk= 821, nxpk= 20, iat= 271, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 GLN HG2 29 THR HA 6.00 (# 822:20 Preassigned 2.20, 2.39 A) &rst ixpk= 822, nxpk= 20, iat=1021, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 MET HG3 37 MET HA 3.50 (# 823:20 Preassigned 2.63, 3.66 A) &rst ixpk= 823, nxpk= 20, iat= 555, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 GLU QB 3 GLU HA 3.50 (# 824:20 Preassigned 2.26, 2.65 A) &rst ixpk= 824, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 68 GLN QB 29 THR HA 6.00 (# 825:20 Preassigned 4.21, 4.65 A) &rst ixpk= 825, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1018,1019, &end # # 37 MET QB 37 MET HA 3.50 (# 826:20 Preassigned 2.23, 2.62 A) &rst ixpk= 826, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 551, 552, &end # # 34 LYS HG2 34 LYS HA 3.50 (# 827:20 Preassigned 2.63, 3.22 A) &rst ixpk= 827, nxpk= 20, iat= 497, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 THR HB 27 THR HA 4.50 (# 828:20 Preassigned 2.27, 2.40 A) &rst ixpk= 828, nxpk= 20, iat= 384, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 GLY HA2 5 GLU HA 6.00 (# 831:20 Preassigned 4.51, 5.26 A) &rst ixpk= 831, nxpk= 20, iat= 123, 71, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 19 SER HB2 27 THR HA 6.00 (# 835:20 Preassigned 4.41, 5.05 A) &rst ixpk= 835, nxpk= 20, iat= 291, 382, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 LYS HE2 56 LYS HA 4.50 (# 837:20 Preassigned 5.12, 6.31 A) &rst ixpk= 837, nxpk= 20, iat= 849, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 ASP HB3 27 THR HA 6.00 (# 841:20 Preassigned 4.29, 4.85 A) &rst ixpk= 841, nxpk= 20, iat=1052, 382, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 1 MET QG 5 GLU HA 4.50 (# 843:20 Preassigned 2.24, 3.08 A) &rst ixpk= 843, nxpk= 20, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 11, 12, &end # # 5 GLU HB2 5 GLU HA 3.50 (# 844:20 Preassigned 2.76, 3.36 A) &rst ixpk= 844, nxpk= 20, iat= 73, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS QB 56 LYS HA 3.50 (# 846:20 Preassigned 2.05, 3.20 A) &rst ixpk= 846, nxpk= 20, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 900, 901, &end # # 5 GLU HB3 5 GLU HA 3.50 (# 847:20 Preassigned 2.36, 2.51 A) &rst ixpk= 847, nxpk= 20, iat= 74, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 LYS QD 56 LYS HA 3.50 (# 849:20 Preassigned 2.23, 2.88 A) &rst ixpk= 849, nxpk= 20, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 846, 847, &end # # 59 LYS HG3 56 LYS HA 3.50 (# 850:20 Preassigned 2.52, 3.32 A) &rst ixpk= 850, nxpk= 20, iat= 904, 838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 19 SER HB2 19 SER HA 3.50 (# 855:20 Preassigned 2.26, 2.51 A) &rst ixpk= 855, nxpk= 20, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 76 VAL HA 73 GLU HA 6.00 (# 856:20 Preassigned 5.41, 5.72 A) &rst ixpk= 856, nxpk= 20, iat=1146,1092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 PRO HD3 38 GLU HA 4.50 (# 857:20 Preassigned 4.11, 4.85 A) &rst ixpk= 857, nxpk= 20, iat= 637, 566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 SER HB3 19 SER HA 3.50 (# 862:20 Preassigned 2.48, 2.80 A) &rst ixpk= 862, nxpk= 20, iat= 292, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ASP QB 59 LYS HA 3.50 (# 863:20 Preassigned 2.08, 3.33 A) &rst ixpk= 863, nxpk= 20, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 953, 954, &end # # 38 GLU QG 38 GLU HA 3.50 (# 864:20 Preassigned 2.00, 2.66 A) &rst ixpk= 864, nxpk= 20, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 571, 572, &end # # 10 MET HG3 10 MET HA 3.50 (# 865:20 Preassigned 3.20, 3.41 A) &rst ixpk= 865, nxpk= 20, iat= 136, 130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 GLU HB2 38 GLU HA 3.50 (# 866:20 Preassigned 2.95, 3.00 A) &rst ixpk= 866, nxpk= 20, iat= 568, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 MET HB3 5 GLU HA 3.50 (# 867:20 Preassigned 1.94, 2.42 A) &rst ixpk= 867, nxpk= 20, iat= 109, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HB3 73 GLU HA 3.50 (# 868:20 Preassigned 2.20, 2.36 A) &rst ixpk= 868, nxpk= 20, iat=1095,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS QB 59 LYS HA 3.50 (# 869:20 Preassigned 2.42, 2.78 A) &rst ixpk= 869, nxpk= 20, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 900, 901, &end # # 59 LYS HG2 59 LYS HA 3.50 (# 870:20 Preassigned 2.29, 2.46 A) &rst ixpk= 870, nxpk= 20, iat= 903, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS HG3 59 LYS HA 3.50 (# 871:20 Preassigned 2.92, 3.49 A) &rst ixpk= 871, nxpk= 20, iat= 904, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 SER QB 21 SER HA 3.50 (# 872:20 Preassigned 2.35, 2.70 A) &rst ixpk= 872, nxpk= 20, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 309, 310, &end # # 19 SER HB2 21 SER HA 6.00 (# 873:20 Preassigned 3.35, 5.47 A) &rst ixpk= 873, nxpk= 20, iat= 291, 307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 ARG HD2 17 ARG HA 4.50 (# 874:20 Preassigned 3.96, 4.44 A) &rst ixpk= 874, nxpk= 20, iat= 252, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU QG 32 GLU HA 3.50 (# 875:20 Preassigned 2.42, 3.19 A) &rst ixpk= 875, nxpk= 20, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 463, 464, &end # # 60 ASP HB2 57 LEU HA 3.50 (# 880:20 Preassigned 2.24, 2.70 A) &rst ixpk= 880, nxpk= 20, iat= 922, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HB2 55 ASP HA 3.50 (# 881:20 Preassigned 3.02, 3.03 A) &rst ixpk= 881, nxpk= 20, iat= 828, 826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS QB 39 LYS HA 3.50 (# 884:20 Preassigned 2.40, 2.74 A) &rst ixpk= 884, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 583, 584, &end # # 58 LEU HB2 58 LEU HA 3.50 (# 885:20 Preassigned 2.44, 2.62 A) &rst ixpk= 885, nxpk= 20, iat= 881, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 49 LYS QB 49 LYS HA 3.50 (# 886:20 Preassigned 2.15, 2.55 A) &rst ixpk= 886, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 734, 735, &end # # 39 LYS HG3 39 LYS HA 3.50 (# 887:20 Preassigned 2.14, 2.78 A) &rst ixpk= 887, nxpk= 20, iat= 587, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 42 PRO HD3 39 LYS HA 4.50 (# 891:20 Preassigned 3.46, 4.17 A) &rst ixpk= 891, nxpk= 20, iat= 637, 581, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASP HB2 58 LEU HA 4.50 (# 893:20 Double Ambig) &rst ixpk= 893, nxpk= 20, iat= 922, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASP HB3 60 ASP HA 3.50 (# 894:20 Preassigned 2.43, 2.49 A) &rst ixpk= 894, nxpk= 20, iat= 923, 920, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HB3 55 ASP HA 3.50 (# 896:20 Preassigned 2.40, 2.53 A) &rst ixpk= 896, nxpk= 20, iat= 829, 826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 90 GLU HG2 90 GLU HA 3.50 (# 898:20 Preassigned 2.36, 3.00 A) &rst ixpk= 898, nxpk= 20, iat=1368,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 LEU HB2 33 LEU HA 4.50 (# 900:20 Preassigned 2.25, 2.49 A) &rst ixpk= 900, nxpk= 20, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HB3 45 LEU HA 3.50 (# 905:20 Preassigned 2.31, 2.54 A) &rst ixpk= 905, nxpk= 20, iat= 681, 678, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HB3 61 LEU HA 3.50 (# 907:20 Preassigned 5.02, 5.41 A) &rst ixpk= 907, nxpk= 20, iat= 935, 932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 63 ALA QB 60 ASP HA 4.50 (# 910:20 Preassigned 4.16, 6.38 A) &rst ixpk= 910, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 965, 966, 967, &end # # 42 PRO HD2 39 LYS HA 4.50 (# 913:20 Preassigned 4.67, 5.22 A) &rst ixpk= 913, nxpk= 20, iat= 636, 581, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 LYS HB2 91 LYS HA 3.50 (# 918:20 Preassigned 2.30, 2.73 A) &rst ixpk= 918, nxpk= 20, iat=1380,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 91 LYS QG 91 LYS HA 3.50 (# 920:20 Preassigned 2.18, 3.28 A) &rst ixpk= 920, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1383,1384, &end # # 24 SER HB2 22 GLU HA 4.50 (# 921:20 Preassigned 5.41, 6.85 A) &rst ixpk= 921, nxpk= 20, iat= 342, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 1 MET QB 1 MET HA 3.50 (# 925:20 Preassigned 2.42, 2.78 A) &rst ixpk= 925, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 8, 9, &end # # 22 GLU HB2 22 GLU HA 3.50 (# 926:20 Preassigned 2.32, 2.52 A) &rst ixpk= 926, nxpk= 20, iat= 320, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 GLU HB3 22 GLU HA 3.50 (# 927:20 Preassigned 2.38, 2.45 A) &rst ixpk= 927, nxpk= 20, iat= 321, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 GLU QG 40 GLU HA 6.00 (# 938:20 Preassigned 2.24, 3.52 A) &rst ixpk= 938, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 608, 609, &end # # 79 ALA QB 79 ALA HA 3.50 (# 943:20 Preassigned 2.33, 2.63 A) &rst ixpk= 943, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1200,1201,1202, &end # # 78 VAL HA 80 ALA HA 6.00 (# 951:20 Preassigned 6.22, 6.35 A) &rst ixpk= 951, nxpk= 20, iat=1182,1208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 LYS HE2 53 ALA HA 4.50 (# 953:20 Preassigned 4.81, 5.19 A) &rst ixpk= 953, nxpk= 20, iat= 849, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 ASP HB3 53 ALA HA 4.50 (# 955:20 Double Ambig) &rst ixpk= 955, nxpk= 20, iat= 829, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LYS QB 53 ALA HA 3.50 (# 963:20 Preassigned 2.05, 2.97 A) &rst ixpk= 963, nxpk= 20, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 840, 841, &end # # 81 ILE HB 79 ALA HA 4.50 (# 964:20 Preassigned 4.94, 5.57 A) &rst ixpk= 964, nxpk= 20, iat=1220,1198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 ALA QB 7 ALA HA 3.50 (# 965:20 Preassigned 2.21, 2.64 A) &rst ixpk= 965, nxpk= 20, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 98, 99, 100, &end # # 94 LEU QB 94 LEU HA 3.50 (# 966:20 Preassigned 2.24, 2.53 A) &rst ixpk= 966, nxpk= 20, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1423,1424, &end # # 6 ALA QB 6 ALA HA 3.50 (# 967:20 Preassigned 2.26, 2.64 A) &rst ixpk= 967, nxpk= 20, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 88, 89, 90, &end # # 80 ALA QB 80 ALA HA 3.50 (# 968:20 Preassigned 2.41, 2.66 A) &rst ixpk= 968, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1210,1211,1212, &end # # 1 MET QG 6 ALA HA 4.50 (# 991:20 Preassigned 2.68, 3.51 A) &rst ixpk= 991, nxpk= 20, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 11, 12, &end # # 81 ILE HA 84 ALA HA 4.50 (# 1024:20 Preassigned 4.62, 4.90 A) &rst ixpk= 1024, nxpk= 20, iat=1218,1262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 ALA QB 63 ALA HA 3.50 (# 1027:20 Preassigned 2.42, 2.66 A) &rst ixpk= 1027, nxpk= 20, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 965, 966, 967, &end # # 58 LEU HA 67 ALA HA 4.50 (# 1030:20 Double Ambig) &rst ixpk= 1030, nxpk= 20, iat= 879,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 86 HIS HB3 84 ALA HA 6.00 (# 1032:20 Double Ambig) &rst ixpk= 1032, nxpk= 20, iat=1286,1262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 62 ASP QB 67 ALA HA 4.50 (# 1033:20 Double Ambig) &rst ixpk= 1033, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 953, 954, &end # # 68 GLN HG3 67 ALA HA 6.00 (# 1034:20 Preassigned 5.42, 5.87 A) &rst ixpk= 1034, nxpk= 20, iat=1022,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 LEU HG 67 ALA HA 4.50 (# 1036:20 Single Ambig) &rst ixpk= 1036, nxpk= 20, iat= 884,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 ALA QB 67 ALA HA 3.50 (# 1039:20 Preassigned 2.43, 2.67 A) &rst ixpk= 1039, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1008,1009,1010, &end # # 64 ASN HB2 64 ASN HA 4.50 (# 1045:20 Preassigned 2.18, 2.41 A) &rst ixpk= 1045, nxpk= 20, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 ASN HB3 64 ASN HA 4.50 (# 1047:20 Preassigned 2.31, 2.60 A) &rst ixpk= 1047, nxpk= 20, iat= 976, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN HG2 67 ALA HA 6.00 (# 1050:20 Preassigned 5.81, 6.20 A) &rst ixpk= 1050, nxpk= 20, iat=1021,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 73 GLU HB2 70 ASP HA 6.00 (# 1051:20 Preassigned 4.68, 5.28 A) &rst ixpk= 1051, nxpk= 20, iat=1094,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 70 ASP HB2 70 ASP HA 4.50 (# 1059:20 Preassigned 2.41, 2.90 A) &rst ixpk= 1059, nxpk= 20, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 ASP HB3 70 ASP HA 4.50 (# 1061:20 Preassigned 2.41, 2.67 A) &rst ixpk= 1061, nxpk= 20, iat=1052,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HA 42 PRO HD3 6.00 (# 1074:20 Preassigned 2.29, 2.94 A) &rst ixpk= 1074, nxpk= 20, iat= 645, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 PRO QG 42 PRO HD2 4.50 (# 1081:20 Preassigned 2.26, 2.61 A) &rst ixpk= 1081, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 639, 640, &end # # 42 PRO HB2 42 PRO HD3 4.50 (# 1082:20 Preassigned 3.77, 3.85 A) &rst ixpk= 1082, nxpk= 20, iat= 642, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HB3 42 PRO HD2 4.50 (# 1083:20 Preassigned 3.24, 3.67 A) &rst ixpk= 1083, nxpk= 20, iat= 643, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 PRO HB3 42 PRO HD3 4.50 (# 1084:20 Preassigned 3.31, 3.84 A) &rst ixpk= 1084, nxpk= 20, iat= 643, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HG 42 PRO HD3 6.00 (# 1087:20 Preassigned 6.18, 6.64 A) &rst ixpk= 1087, nxpk= 20, iat= 683, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 12 ILE HB 9 GLY HA3 4.50 (# 1121:20 Preassigned 2.39, 3.40 A) &rst ixpk= 1121, nxpk= 20, iat= 168, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 GLN QB 43 GLY QA 4.50 (# 1128:20 Double Ambig) &rst ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 699, 700, igr2= 651, 652, &end # # 45 LEU HB2 43 GLY QA 3.50 (# 1129:20 Double Ambig) &rst ixpk= 1129, nxpk= 20, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 651, 652, &end # # 30 LYS QG 31 GLY QA 4.50 (# 1132:20 Preassigned 3.45, 4.96 A) &rst ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 434, 435, igr2= 451, 452, &end # # 45 LEU HG 43 GLY QA 4.50 (# 1133:20 Double Ambig) &rst ixpk= 1133, nxpk= 20, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 651, 652, &end # # 34 LYS HB2 31 GLY QA 4.50 (# 1140:20 Preassigned 3.16, 5.49 A) &rst ixpk= 1140, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 451, 452, &end # # 19 SER HB3 23 GLY HA3 6.00 (# 1151:20 Preassigned 3.76, 5.78 A) &rst ixpk= 1151, nxpk= 20, iat= 292, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 PRO HB3 43 GLY QA 4.50 (# 1157:20 Preassigned 4.39, 6.31 A) &rst ixpk= 1157, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 651, 652, &end # # 17 ARG HB2 20 GLY QA 4.50 (# 1158:20 Preassigned 3.87, 5.69 A) &rst ixpk= 1158, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 300, 301, &end # # 45 LEU HB2 48 GLY QA 6.00 (# 1161:20 Double Ambig) &rst ixpk= 1161, nxpk= 20, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 725, 726, &end # # 17 ARG HG2 20 GLY QA 6.00 (# 1162:20 Preassigned 5.59, 6.91 A) &rst ixpk= 1162, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 300, 301, &end # # 45 LEU HG 48 GLY QA 4.50 (# 1164:20 Preassigned 4.47, 4.88 A) &rst ixpk= 1164, nxpk= 20, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 725, 726, &end # # 17 ARG HG3 20 GLY QA 6.00 (# 1165:20 Preassigned 5.67, 6.83 A) &rst ixpk= 1165, nxpk= 20, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 300, 301, &end # # 25 THR HA 23 GLY HA2 6.00 (# 1167:20 Preassigned 2.16, 4.33 A) &rst ixpk= 1167, nxpk= 20, iat= 351, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 89 PHE HA 93 GLY QA 4.50 (# 1176:20 Double Ambig) &rst ixpk= 1176, nxpk= 20, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1414,1415, &end # # 44 PHE QB 48 GLY QA 6.00 (# 1177:20 Preassigned 4.10, 6.86 A) &rst ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 660, 661, igr2= 725, 726, &end # # 89 PHE QB 93 GLY QA 6.00 (# 1186:20 Double Ambig) &rst ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1345,1346, igr2=1414,1415, &end # # 32 GLU QG 28 LEU HB2 6.00 (# 1188:20 Preassigned 2.44, 4.59 A) &rst ixpk= 1188, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 463, 464, &end # # 32 GLU QG 28 LEU HB3 6.00 (# 1189:20 Preassigned 2.22, 3.60 A) &rst ixpk= 1189, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 463, 464, &end # # 26 GLN HB2 23 GLY HA2 6.00 (# 1190:20 Preassigned 4.94, 6.21 A) &rst ixpk= 1190, nxpk= 20, iat= 367, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 LEU HB2 28 LEU HB2 6.00 (# 1191:20 Preassigned 2.48, 3.46 A) &rst ixpk= 1191, nxpk= 20, iat= 475, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 LEU HB2 28 LEU HB3 6.00 (# 1192:20 Preassigned 2.15, 3.62 A) &rst ixpk= 1192, nxpk= 20, iat= 475, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLU QB 28 LEU HB3 6.00 (# 1194:20 Preassigned 2.29, 4.20 A) &rst ixpk= 1194, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 460, 461, &end # # 40 GLU QG 17 ARG HD2 6.00 (# 1215:20 Unique 4.10, 6.29 A) &rst ixpk= 1215, nxpk= 20, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 608, 609, &end # # 14 VAL HB 17 ARG HD3 6.00 (# 1216:20 Unique 3.21, 5.96 A) &rst ixpk= 1216, nxpk= 20, iat= 199, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 ARG HG2 17 ARG HD2 4.50 (# 1219:20 Preassigned 2.23, 2.72 A) &rst ixpk= 1219, nxpk= 20, iat= 249, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HG2 17 ARG HD3 4.50 (# 1220:20 Preassigned 2.32, 2.67 A) &rst ixpk= 1220, nxpk= 20, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HG3 17 ARG HD2 4.50 (# 1221:20 Preassigned 2.26, 2.64 A) &rst ixpk= 1221, nxpk= 20, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 17 ARG HG3 17 ARG HD3 4.50 (# 1222:20 Preassigned 2.36, 2.83 A) &rst ixpk= 1222, nxpk= 20, iat= 250, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 94 LEU HA 94 LEU QB 4.50 (# 1248:20 Preassigned 2.24, 2.53 A) &rst ixpk= 1248, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1423,1424, &end # # 39 LYS QD 39 LYS QE 3.50 (# 1253:20 Preassigned 2.34, 2.62 A) &rst ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 589, 590, igr2= 592, 593, &end # # 58 LEU QD1 29 THR HA 6.00 (# 1257:20 Preassigned 4.20, 5.74 A) &rst ixpk= 1257, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 886, 887, 888, &end # # 41 LEU QD1 37 MET HA 3.50 (# 1258:20 Preassigned 5.38, 6.96 A) &rst ixpk= 1258, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 625, 626, 627, &end # # 45 LEU QQD 37 MET HA 3.50 (# 1260:20 Preassigned 5.38, 6.96 A) &rst ixpk= 1260, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 36 LEU HG 37 MET HA 3.50 (# 1261:20 Double Ambig) &rst ixpk= 1261, nxpk= 20, iat= 535, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 THR QG 27 THR HA 4.50 (# 1262:20 Preassigned 2.43, 3.24 A) &rst ixpk= 1262, nxpk= 20, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 28 LEU QQD 27 THR HA 6.00 (# 1265:20 Preassigned 3.76, 5.83 A) &rst ixpk= 1265, nxpk= 20, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 403, 404, 405, 407, 408, 409, &end # # 5 GLU HG3 5 GLU HA 3.50 (# 1268:20 Preassigned 2.40, 3.14 A) &rst ixpk= 1268, nxpk= 20, iat= 77, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 THR QG 24 SER HA 6.00 (# 1269:20 Double Ambig) &rst ixpk= 1269, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 386, 387, 388, &end # # 45 LEU QQD 38 GLU HA 3.50 (# 1270:20) &rst ixpk= 1270, nxpk= 20, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 28 LEU QQD 19 SER HA 3.50 (# 1272:20 Preassigned 3.91, 6.23 A) &rst ixpk= 1272, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 403, 404, 405, 407, 408, 409, &end # # 25 THR QG 24 SER HA 6.00 (# 1273:20 Preassigned 4.93, 6.65 A) &rst ixpk= 1273, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 355, 356, 357, &end # # 29 THR QG 32 GLU HA 3.50 (# 1276:20 Double Ambig) &rst ixpk= 1276, nxpk= 20, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 419, 420, 421, &end # # 54 VAL QG1 55 ASP HA 3.50 (# 1277:20 Preassigned 3.28, 4.67 A) &rst ixpk= 1277, nxpk= 20, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 814, 815, 816, &end # # 58 LEU QD1 58 LEU HA 3.50 (# 1278:20 Preassigned 2.13, 3.48 A) &rst ixpk= 1278, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 886, 887, 888, &end # # 57 LEU QQD 57 LEU HA 3.50 (# 1279:20 Preassigned 1.99, 3.83 A) &rst ixpk= 1279, nxpk= 20, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 867, 868, 869, 871, 872, 873, &end # # 12 ILE QG2 13 ASP HA 6.00 (# 1280:20 Unique 3.53, 4.77 A) &rst ixpk= 1280, nxpk= 20, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 170, 171, 172, &end # # 36 LEU HB3 33 LEU HA 3.50 (# 1281:20 Preassigned 2.81, 3.40 A) &rst ixpk= 1281, nxpk= 20, iat= 533, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 LEU QQD 45 LEU HA 3.50 (# 1282:20 Preassigned 2.15, 3.90 A) &rst ixpk= 1282, nxpk= 20, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 33 LEU QQD 33 LEU HA 3.50 (# 1283:20 Preassigned 4.10, 4.73 A) &rst ixpk= 1283, nxpk= 20, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 480, 481, 482, 484, 485, 486, &end # # 61 LEU QD2 61 LEU HA 3.50 (# 1284:20 Preassigned 3.20, 4.35 A) &rst ixpk= 1284, nxpk= 20, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 943, 944, 945, &end # # 5 GLU HG3 1 MET HA 4.50 (# 1291:20 Preassigned 3.56, 4.19 A) &rst ixpk= 1291, nxpk= 20, iat= 77, 6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 THR QG 79 ALA HA 3.50 (# 1294:20 Preassigned 3.35, 4.46 A) &rst ixpk= 1294, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1241,1242,1243, &end # # 94 LEU QD1 94 LEU HA 4.50 (# 1298:20 Preassigned 2.37, 4.05 A) &rst ixpk= 1298, nxpk= 20, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1428,1429,1430, &end # # 82 THR QG 80 ALA HA 3.50 (# 1300:20 Double Ambig) &rst ixpk= 1300, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1241,1242,1243, &end # # 58 LEU QD1 67 ALA HA 4.50 (# 1307:20 Double Ambig) &rst ixpk= 1307, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 886, 887, 888, &end # # 58 LEU QD1 67 ALA HA 4.50 (# 1314:20 Double Ambig) &rst ixpk= 1314, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 886, 887, 888, &end # # 27 THR QG 70 ASP HA 4.50 (# 1318:20 Preassigned 2.47, 4.03 A) &rst ixpk= 1318, nxpk= 20, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 69 VAL QG2 70 ASP HA 6.00 (# 1320:20 Preassigned 6.65, 6.96 A) &rst ixpk= 1320, nxpk= 20, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1041,1042,1043, &end # # 12 ILE QG2 9 GLY HA2 6.00 (# 1347:20 Preassigned 2.98, 4.71 A) &rst ixpk= 1347, nxpk= 20, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 170, 171, 172, &end # # 12 ILE QG2 9 GLY HA3 6.00 (# 1348:20 Preassigned 4.14, 5.11 A) &rst ixpk= 1348, nxpk= 20, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 170, 171, 172, &end # # 34 LYS HG3 31 GLY QA 6.00 (# 1363:20 Preassigned 4.44, 5.85 A) &rst ixpk= 1363, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 451, 452, &end # # 54 VAL QG2 48 GLY QA 6.00 (# 1365:20 Preassigned 2.45, 4.45 A) &rst ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 818, 819, 820, igr2= 725, 726, &end # # 25 THR QG 23 GLY HA2 6.00 (# 1370:20 Preassigned 4.71, 6.47 A) &rst ixpk= 1370, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 355, 356, 357, &end # # 94 LEU QD2 93 GLY QA 6.00 (# 1373:20 Preassigned 3.66, 6.90 A) &rst ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1432,1433,1434, igr2=1414,1415, &end # # 33 LEU QD1 28 LEU HB2 6.00 (# 1374:20 Preassigned 3.31, 5.29 A) &rst ixpk= 1374, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 480, 481, 482, &end # # 33 LEU QD1 28 LEU HB3 6.00 (# 1375:20 Preassigned 3.45, 5.97 A) &rst ixpk= 1375, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 480, 481, 482, &end # # 33 LEU QD1 28 LEU HB3 6.00 (# 1376:20 Preassigned 3.45, 5.97 A) &rst ixpk= 1376, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 480, 481, 482, &end # # 92 THR QG 93 GLY QA 6.00 (# 1378:20 Preassigned 2.88, 5.43 A) &rst ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1404,1405,1406, igr2=1414,1415, &end # # 69 VAL QG2 28 LEU HB2 6.00 (# 1379:20 Preassigned 2.85, 5.25 A) &rst ixpk= 1379, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1041,1042,1043, &end # # 69 VAL QG2 28 LEU HB3 6.00 (# 1380:20 Preassigned 4.24, 6.38 A) &rst ixpk= 1380, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1041,1042,1043, &end # # 28 LEU QQD 28 LEU HB2 4.50 (# 1382:20 Preassigned 2.22, 3.46 A) &rst ixpk= 1382, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 28 LEU QQD 28 LEU HB3 4.50 (# 1383:20 Preassigned 2.22, 3.48 A) &rst ixpk= 1383, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 14 VAL QQG 17 ARG HD2 6.00 (# 1386:20 Preassigned 2.64, 5.10 A) &rst ixpk= 1386, nxpk= 20, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 201, 202, 203, 205, 206, 207, &end # # 94 LEU QD1 94 LEU QB 3.50 (# 1403:20 Preassigned 2.39, 3.47 A) &rst ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1428,1429,1430, igr2=1423,1424, &end # # 14 VAL HN 14 VAL HB 6.00 (# 1445:20 Preassigned 2.14, 2.33 A) &rst ixpk= 1445, nxpk= 20, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 70 ASP HA 70 ASP HB2 4.50 (# 1492:20 Preassigned 2.41, 2.90 A) &rst ixpk= 1492, nxpk= 20, iat=1049,1051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 ASP HA 70 ASP HB3 6.00 (# 1493:20 Preassigned 2.41, 2.67 A) &rst ixpk= 1493, nxpk= 20, iat=1049,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 50 ASP HA 50 ASP HB2 4.50 (# 1510:20 Preassigned 2.47, 2.55 A) &rst ixpk= 1510, nxpk= 20, iat= 754, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 66 ASP HA 66 ASP HB3 3.50 (# 1511:20 Preassigned 3.04, 3.05 A) &rst ixpk= 1511, nxpk= 20, iat= 994, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 PHE QE 18 TYR HB3 6.00 (# 1517:20 Preassigned 3.77, 6.32 A) &rst ixpk= 1517, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 221, 225, &end # # 74 PHE HE1 71 PHE QB 6.00 (# 1519:20 Preassigned 4.98, 6.82 A) &rst ixpk= 1519, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1063,1064, &end # # 64 ASN HA 64 ASN HB2 4.50 (# 1527:20 Preassigned 2.18, 2.41 A) &rst ixpk= 1527, nxpk= 20, iat= 973, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 ASN HA 64 ASN HB3 4.50 (# 1528:20 Preassigned 2.31, 2.60 A) &rst ixpk= 1528, nxpk= 20, iat= 973, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 77 PHE HN 77 PHE HB3 6.00 (# 1529:20 Preassigned 2.07, 2.32 A) &rst ixpk= 1529, nxpk= 20, iat=1160,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 15 PHE HB2 4.50 (# 1531:20 Preassigned 2.95, 3.76 A) &rst ixpk= 1531, nxpk= 20, iat=1115, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 PHE HE1 74 PHE HB2 6.00 (# 1532:20 Preassigned 5.37, 5.42 A) &rst ixpk= 1532, nxpk= 20, iat=1115,1109, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 74 PHE HE1 74 PHE HB3 3.50 (# 1533:20 Preassigned 4.55, 4.65 A) &rst ixpk= 1533, nxpk= 20, iat=1115,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HE1 15 PHE HB3 4.50 (# 1534:20 Preassigned 3.02, 3.75 A) &rst ixpk= 1534, nxpk= 20, iat=1115, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 PHE HE1 75 ILE HB 6.00 (# 1547:20 Preassigned 3.12, 4.78 A) &rst ixpk= 1547, nxpk= 20, iat=1115,1129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 GLN HA 68 GLN HG2 4.50 (# 1559:20 Preassigned 2.14, 2.18 A) &rst ixpk= 1559, nxpk= 20, iat=1016,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 GLN HA 68 GLN HG3 4.50 (# 1560:20 Preassigned 2.66, 3.03 A) &rst ixpk= 1560, nxpk= 20, iat=1016,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 40 GLU HA 40 GLU QG 6.00 (# 1577:20 Preassigned 2.24, 3.52 A) &rst ixpk= 1577, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 608, 609, &end # # 40 GLU HA 40 GLU QG 6.00 (# 1578:20 Preassigned 2.24, 3.52 A) &rst ixpk= 1578, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 608, 609, &end # # 57 LEU HA 57 LEU HB2 4.50 (# 1667:20 Preassigned 2.20, 2.87 A) &rst ixpk= 1667, nxpk= 20, iat= 860, 862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 LEU HA 57 LEU HB3 4.50 (# 1668:20 Preassigned 2.34, 2.46 A) &rst ixpk= 1668, nxpk= 20, iat= 860, 863, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 LEU HA 45 LEU HB2 4.50 (# 1669:20 Preassigned 2.98, 3.03 A) &rst ixpk= 1669, nxpk= 20, iat= 678, 680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 LEU HG 60 ASP HB2 4.50 (# 1692:20 Preassigned 4.28, 4.64 A) &rst ixpk= 1692, nxpk= 20, iat= 937, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LYS QD 60 ASP HB2 4.50 (# 1697:20 Preassigned 4.33, 4.71 A) &rst ixpk= 1697, nxpk= 20, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 846, 847, &end # # 63 ALA QB 62 ASP QB 3.50 (# 1698:20 Preassigned 4.17, 6.26 A) &rst ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 965, 966, 967, igr2= 953, 954, &end # # 62 ASP HA 62 ASP QB 3.50 (# 1700:20 Preassigned 2.26, 2.56 A) &rst ixpk= 1700, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 953, 954, &end # # 60 ASP HA 60 ASP HB3 3.50 (# 1702:20 Preassigned 2.43, 2.49 A) &rst ixpk= 1702, nxpk= 20, iat= 920, 923, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ASP HA 58 LEU HB3 6.00 (# 1703:20 Preassigned 2.18, 2.84 A) &rst ixpk= 1703, nxpk= 20, iat= 826, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 59 LYS HA 62 ASP QB 3.50 (# 1704:20 Preassigned 2.08, 3.33 A) &rst ixpk= 1704, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 953, 954, &end # # 33 LEU HA 33 LEU HB2 6.00 (# 1706:20 Preassigned 2.25, 2.49 A) &rst ixpk= 1706, nxpk= 20, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 LEU HA 58 LEU HB2 4.50 (# 1707:20 Preassigned 2.44, 2.62 A) &rst ixpk= 1707, nxpk= 20, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 LEU HA 58 LEU HB3 4.50 (# 1708:20 Preassigned 2.94, 2.99 A) &rst ixpk= 1708, nxpk= 20, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS HA 33 LEU HB2 6.00 (# 1709:20 Preassigned 2.26, 3.23 A) &rst ixpk= 1709, nxpk= 20, iat= 429, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 30 LYS HA 33 LEU HB2 6.00 (# 1711:20 Preassigned 2.26, 3.23 A) &rst ixpk= 1711, nxpk= 20, iat= 429, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 30 LYS HA 33 LEU HB3 6.00 (# 1713:20 Preassigned 2.18, 2.57 A) &rst ixpk= 1713, nxpk= 20, iat= 429, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 62 ASP QB 58 LEU HB2 4.50 (# 1716:20 Preassigned 2.71, 5.11 A) &rst ixpk= 1716, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 953, 954, &end # # 58 LEU HG 62 ASP QB 3.50 (# 1723:20 Preassigned 4.81, 5.51 A) &rst ixpk= 1723, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 953, 954, &end # # 56 LYS QD 55 ASP HB2 3.50 (# 1724:20 Preassigned 3.80, 5.32 A) &rst ixpk= 1724, nxpk= 20, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 846, 847, &end # # 61 LEU HA 61 LEU HB2 4.50 (# 1730:20 Preassigned 4.50, 4.99 A) &rst ixpk= 1730, nxpk= 20, iat= 932, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU QB 33 LEU HB2 6.00 (# 1738:20 Double Ambig) &rst ixpk= 1738, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 460, 461, &end # # 73 GLU HB3 64 ASN HB2 4.50 (# 1745:20 Single Ambig) &rst ixpk= 1745, nxpk= 20, iat=1095, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS QG 55 ASP HB2 3.50 (# 1746:20 Preassigned 3.05, 3.68 A) &rst ixpk= 1746, nxpk= 20, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 434, 435, &end # # 61 LEU HA 64 ASN HB3 6.00 (# 1749:20 Preassigned 3.53, 4.39 A) &rst ixpk= 1749, nxpk= 20, iat= 932, 976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 15 PHE HA 15 PHE HB2 6.00 (# 1751:20 Preassigned 2.38, 2.69 A) &rst ixpk= 1751, nxpk= 20, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 15 PHE HA 15 PHE HB3 6.00 (# 1752:20 Preassigned 2.26, 2.79 A) &rst ixpk= 1752, nxpk= 20, iat= 213, 216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 73 GLU HG2 64 ASN HB2 4.50 (# 1758:20 Single Ambig) &rst ixpk= 1758, nxpk= 20, iat=1097, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 VAL HB 77 PHE HB2 6.00 (# 1759:20 Double Ambig) &rst ixpk= 1759, nxpk= 20, iat=1184,1164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 78 VAL HB 74 PHE HB3 6.00 (# 1760:20 Double Ambig) &rst ixpk= 1760, nxpk= 20, iat=1184,1110, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 63 ALA QB 64 ASN HB2 3.50 (# 1761:20 Double Ambig) &rst ixpk= 1761, nxpk= 20, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 965, 966, 967, &end # # 63 ALA QB 64 ASN HB3 3.50 (# 1762:20 Double Ambig) &rst ixpk= 1762, nxpk= 20, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 965, 966, 967, &end # # 13 ASP HA 15 PHE HB3 4.50 (# 1763:20 Preassigned 4.07, 5.11 A) &rst ixpk= 1763, nxpk= 20, iat= 185, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 77 PHE HA 77 PHE HB2 4.50 (# 1764:20 Preassigned 2.21, 2.55 A) &rst ixpk= 1764, nxpk= 20, iat=1162,1164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 77 PHE HA 77 PHE HB3 3.50 (# 1765:20 Preassigned 2.28, 2.72 A) &rst ixpk= 1765, nxpk= 20, iat=1162,1165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 PHE HA 74 PHE HB2 4.50 (# 1767:20 Preassigned 2.32, 2.41 A) &rst ixpk= 1767, nxpk= 20, iat=1107,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HA 77 PHE HB3 6.00 (# 1770:20 Preassigned 5.16, 5.44 A) &rst ixpk= 1770, nxpk= 20, iat=1092,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 71 PHE HA 71 PHE QB 4.50 (# 1775:20 Preassigned 2.25, 2.43 A) &rst ixpk= 1775, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1063,1064, &end # # 74 PHE HB3 15 PHE HB3 4.50 (# 1777:20 Preassigned 4.01, 4.54 A) &rst ixpk= 1777, nxpk= 20, iat=1110, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 LEU HB2 77 PHE HB3 6.00 (# 1787:20 Double Ambig) &rst ixpk= 1787, nxpk= 20, iat= 934,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA QB 77 PHE HB2 6.00 (# 1792:20 Preassigned 5.07, 6.53 A) &rst ixpk= 1792, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1210,1211,1212, &end # # 61 LEU HB3 77 PHE HB3 4.50 (# 1793:20 Preassigned 2.01, 2.51 A) &rst ixpk= 1793, nxpk= 20, iat= 935,1165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ASP HA 12 ILE HB 4.50 (# 1795:20 Preassigned 3.84, 4.82 A) &rst ixpk= 1795, nxpk= 20, iat= 185, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 GLY HA2 12 ILE HB 4.50 (# 1797:20 Preassigned 2.11, 2.96 A) &rst ixpk= 1797, nxpk= 20, iat= 123, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 GLU HA 44 PHE QB 6.00 (# 1799:20 Preassigned 2.26, 5.60 A) &rst ixpk= 1799, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 660, 661, &end # # 5 GLU HA 5 GLU HG2 6.00 (# 1801:20 Preassigned 2.24, 3.08 A) &rst ixpk= 1801, nxpk= 20, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HA 5 GLU HG3 6.00 (# 1802:20 Preassigned 2.40, 3.14 A) &rst ixpk= 1802, nxpk= 20, iat= 71, 77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HA 5 GLU HG2 6.00 (# 1804:20 Preassigned 2.24, 3.08 A) &rst ixpk= 1804, nxpk= 20, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HB2 5 GLU HG3 6.00 (# 1820:20 Preassigned 2.40, 2.73 A) &rst ixpk= 1820, nxpk= 20, iat= 73, 77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 LEU HB2 77 PHE HB2 6.00 (# 1822:20 Double Ambig) &rst ixpk= 1822, nxpk= 20, iat= 934,1164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 MET QB 44 PHE QB 6.00 (# 1823:20 Preassigned 5.85, 5.98 A) &rst ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 551, 552, igr2= 660, 661, &end # # 5 GLU HB3 5 GLU HG3 6.00 (# 1830:20 Preassigned 2.23, 2.67 A) &rst ixpk= 1830, nxpk= 20, iat= 74, 77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLU HB3 5 GLU HG2 4.50 (# 1831:20 Preassigned 2.44, 2.75 A) &rst ixpk= 1831, nxpk= 20, iat= 74, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 PHE HA 44 PHE QB 4.50 (# 1833:20 Preassigned 2.12, 2.76 A) &rst ixpk= 1833, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 660, 661, &end # # 12 ILE HA 12 ILE HB 4.50 (# 1836:20 Preassigned 2.99, 3.00 A) &rst ixpk= 1836, nxpk= 20, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ASP HB2 12 ILE HB 6.00 (# 1838:20 Preassigned 4.87, 5.37 A) &rst ixpk= 1838, nxpk= 20, iat= 187, 168, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 3 GLU HA 3 GLU HG2 4.50 (# 1843:20 Preassigned 2.92, 3.31 A) &rst ixpk= 1843, nxpk= 20, iat= 37, 42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU HA 32 GLU QG 3.50 (# 1844:20 Preassigned 2.42, 3.19 A) &rst ixpk= 1844, nxpk= 20, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 463, 464, &end # # 73 GLU HA 73 GLU HG2 4.50 (# 1847:20 Preassigned 2.46, 2.91 A) &rst ixpk= 1847, nxpk= 20, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HA 73 GLU HG3 4.50 (# 1849:20 Preassigned 3.07, 3.39 A) &rst ixpk= 1849, nxpk= 20, iat=1092,1098, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 GLU HA 38 GLU QG 4.50 (# 1851:20 Preassigned 2.00, 2.66 A) &rst ixpk= 1851, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 571, 572, &end # # 81 ILE HA 81 ILE HB 4.50 (# 1852:20 Preassigned 2.97, 3.02 A) &rst ixpk= 1852, nxpk= 20, iat=1218,1220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 VAL HA 81 ILE HB 6.00 (# 1853:20 Preassigned 2.73, 2.86 A) &rst ixpk= 1853, nxpk= 20, iat=1182,1220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 18 TYR HB2 32 GLU QG 4.50 (# 1855:20 Double Ambig) &rst ixpk= 1855, nxpk= 20, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 463, 464, &end # # 3 GLU QB 3 GLU HG2 3.50 (# 1865:20 Preassigned 2.23, 2.71 A) &rst ixpk= 1865, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 3 GLU QB 3 GLU HG3 3.50 (# 1866:20 Preassigned 2.36, 2.74 A) &rst ixpk= 1866, nxpk= 20, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 45 LEU HB3 38 GLU QG 4.50 (# 1871:20 Double Ambig) &rst ixpk= 1871, nxpk= 20, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 571, 572, &end # # 28 LEU HB2 32 GLU QG 4.50 (# 1872:20 Preassigned 2.44, 4.59 A) &rst ixpk= 1872, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 463, 464, &end # # 90 GLU HA 90 GLU HG2 4.50 (# 1875:20 Preassigned 2.36, 3.00 A) &rst ixpk= 1875, nxpk= 20, iat=1363,1368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 GLU HA 90 GLU HG3 4.50 (# 1876:20 Preassigned 2.37, 3.24 A) &rst ixpk= 1876, nxpk= 20, iat=1363,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HG2 81 ILE HB 3.50 (# 1884:20 Preassigned 2.30, 2.38 A) &rst ixpk= 1884, nxpk= 20, iat=1226,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 GLU HA 22 GLU QG 4.50 (# 1885:20 Preassigned 2.56, 3.69 A) &rst ixpk= 1885, nxpk= 20, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 323, 324, &end # # 72 SER HA 75 ILE HB 6.00 (# 1886:20 Preassigned 2.88, 3.34 A) &rst ixpk= 1886, nxpk= 20, iat=1081,1129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 75 ILE HA 75 ILE HB 4.50 (# 1889:20 Preassigned 2.47, 2.58 A) &rst ixpk= 1889, nxpk= 20, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LYS HE2 56 LYS QD 6.00 (# 1898:20 Preassigned 2.43, 2.77 A) &rst ixpk= 1898, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 846, 847, &end # # 91 LYS QD 91 LYS QG 3.50 (# 1902:20 Preassigned 2.28, 2.68 A) &rst ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1386,1387, igr2=1383,1384, &end # # 95 LYS QD 95 LYS HG3 4.50 (# 1903:20 Preassigned 2.41, 2.72 A) &rst ixpk= 1903, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1448,1449, &end # # 40 GLU QB 41 LEU QD2 6.00 (# 1910:20 Preassigned 2.38, 6.38 A) &rst ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 605, 606, igr2= 629, 630, 631, &end # # 36 LEU HB2 36 LEU HG 6.00 (# 1912:20 Preassigned 2.23, 2.61 A) &rst ixpk= 1912, nxpk= 20, iat= 532, 535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 69 VAL HA 69 VAL HB 4.50 (# 1941:20 Preassigned 2.99, 3.03 A) &rst ixpk= 1941, nxpk= 20, iat=1033,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 GLN HA 26 GLN QG 3.50 (# 1942:20 Preassigned 2.21, 3.17 A) &rst ixpk= 1942, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 370, 371, &end # # 39 LYS HA 39 LYS QB 3.50 (# 1944:20 Preassigned 2.40, 2.74 A) &rst ixpk= 1944, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 583, 584, &end # # 27 THR HB 69 VAL HB 4.50 (# 1945:20 Preassigned 5.51, 5.65 A) &rst ixpk= 1945, nxpk= 20, iat= 384,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 36 LEU HA 39 LYS QB 6.00 (# 1948:20 Preassigned 2.62, 5.66 A) &rst ixpk= 1948, nxpk= 20, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 583, 584, &end # # 68 GLN QB 68 GLN HG2 3.50 (# 1961:20 Preassigned 2.41, 2.81 A) &rst ixpk= 1961, nxpk= 20, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1018,1019, &end # # 68 GLN QB 68 GLN HG3 3.50 (# 1962:20 Preassigned 2.37, 2.71 A) &rst ixpk= 1962, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1018,1019, &end # # 39 LYS HG2 39 LYS QB 3.50 (# 1964:20 Preassigned 2.27, 2.59 A) &rst ixpk= 1964, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 583, 584, &end # # 6 ALA QB 1 MET QB 4.50 (# 1965:20 Preassigned 2.29, 5.41 A) &rst ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 88, 89, 90, igr2= 8, 9, &end # # 28 LEU HB2 69 VAL HB 3.50 (# 1966:20 Preassigned 2.48, 3.37 A) &rst ixpk= 1966, nxpk= 20, iat= 398,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 THR HA 26 GLN QG 3.50 (# 1967:20 Preassigned 2.42, 2.78 A) &rst ixpk= 1967, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 370, 371, &end # # 10 MET HA 10 MET HG2 4.50 (# 1968:20 Preassigned 3.98, 4.06 A) &rst ixpk= 1968, nxpk= 20, iat= 130, 135, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET HA 10 MET HG3 4.50 (# 1969:20 Preassigned 3.20, 3.41 A) &rst ixpk= 1969, nxpk= 20, iat= 130, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 GLN HA 46 GLN QG 4.50 (# 1971:20 Preassigned 2.27, 3.15 A) &rst ixpk= 1971, nxpk= 20, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 702, 703, &end # # 43 GLY QA 46 GLN QG 6.00 (# 1972:20 Preassigned 2.40, 4.91 A) &rst ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 651, 652, igr2= 702, 703, &end # # 10 MET QB 10 MET HG2 3.50 (# 1977:20 Preassigned 2.20, 2.46 A) &rst ixpk= 1977, nxpk= 20, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 132, 133, &end # # 1 MET QG 1 MET QB 3.50 (# 1978:20 Preassigned 2.35, 2.72 A) &rst ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 11, 12, igr2= 8, 9, &end # # 45 LEU HB3 46 GLN QG 6.00 (# 1986:20 Preassigned 4.67, 5.80 A) &rst ixpk= 1986, nxpk= 20, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 702, 703, &end # # 91 LYS HA 91 LYS HB2 4.50 (# 1988:20 Preassigned 2.30, 2.73 A) &rst ixpk= 1988, nxpk= 20, iat=1378,1380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 LYS HA 91 LYS HB3 4.50 (# 1989:20 Preassigned 2.42, 2.57 A) &rst ixpk= 1989, nxpk= 20, iat=1378,1381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 MET HA 37 MET HG2 6.00 (# 1990:20 Preassigned 2.15, 3.11 A) &rst ixpk= 1990, nxpk= 20, iat= 549, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 49 LYS HA 49 LYS QB 3.50 (# 2000:20 Double Ambig) &rst ixpk= 2000, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 734, 735, &end # # 56 LYS HA 56 LYS QB 3.50 (# 2002:20 Preassigned 2.33, 2.76 A) &rst ixpk= 2002, nxpk= 20, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 840, 841, &end # # 37 MET HA 37 MET HG3 3.50 (# 2004:20 Preassigned 2.63, 3.66 A) &rst ixpk= 2004, nxpk= 20, iat= 549, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 MET HG2 37 MET QB 6.00 (# 2007:20 Preassigned 2.43, 2.76 A) &rst ixpk= 2007, nxpk= 20, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 551, 552, &end # # 7 ALA HA 10 MET QB 4.50 (# 2017:20 Preassigned 2.40, 3.90 A) &rst ixpk= 2017, nxpk= 20, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 132, 133, &end # # 14 VAL HA 14 VAL HB 3.50 (# 2022:20 Preassigned 2.56, 2.88 A) &rst ixpk= 2022, nxpk= 20, iat= 197, 199, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 LYS HA 34 LYS HB2 4.50 (# 2023:20 Preassigned 2.12, 2.24 A) &rst ixpk= 2023, nxpk= 20, iat= 492, 494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS HA 30 LYS HB3 4.50 (# 2024:20 Preassigned 2.63, 2.86 A) &rst ixpk= 2024, nxpk= 20, iat= 429, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 VAL HA 54 VAL HB 4.50 (# 2025:20 Preassigned 2.97, 3.01 A) &rst ixpk= 2025, nxpk= 20, iat= 810, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 MET HG3 10 MET QB 3.50 (# 2037:20 Preassigned 2.51, 2.84 A) &rst ixpk= 2037, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 132, 133, &end # # 73 GLU HA 76 VAL HB 3.50 (# 2045:20 Preassigned 3.16, 5.49 A) &rst ixpk= 2045, nxpk= 20, iat=1092,1148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 VAL HA 78 VAL HB 6.00 (# 2046:20 Preassigned 2.93, 2.97 A) &rst ixpk= 2046, nxpk= 20, iat=1182,1184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 VAL HA 76 VAL HB 6.00 (# 2047:20 Preassigned 2.97, 3.02 A) &rst ixpk= 2047, nxpk= 20, iat=1146,1148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 75 ILE HA 78 VAL HB 4.50 (# 2048:20 Preassigned 2.12, 2.56 A) &rst ixpk= 2048, nxpk= 20, iat=1127,1184, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 ASP HB3 54 VAL HB 4.50 (# 2049:20 Preassigned 2.60, 3.82 A) &rst ixpk= 2049, nxpk= 20, iat= 829, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 53 ALA QB 54 VAL HB 4.50 (# 2053:20 Preassigned 6.33, 6.83 A) &rst ixpk= 2053, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 802, 803, 804, &end # # 8 MET HA 8 MET HG3 6.00 (# 2054:20 Preassigned 2.15, 3.01 A) &rst ixpk= 2054, nxpk= 20, iat= 106, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 1 MET HA 1 MET QG 4.50 (# 2055:20 Preassigned 2.20, 2.69 A) &rst ixpk= 2055, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 11, 12, &end # # 22 GLU HA 22 GLU HB2 4.50 (# 2056:20 Preassigned 2.32, 2.52 A) &rst ixpk= 2056, nxpk= 20, iat= 318, 320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 GLU HA 22 GLU HB3 4.50 (# 2057:20 Preassigned 2.38, 2.45 A) &rst ixpk= 2057, nxpk= 20, iat= 318, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 ALA HA 1 MET QG 4.50 (# 2058:20 Preassigned 2.68, 3.51 A) &rst ixpk= 2058, nxpk= 20, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 11, 12, &end # # 5 GLU HG2 5 GLU HB2 3.50 (# 2063:20 Preassigned 2.40, 2.78 A) &rst ixpk= 2063, nxpk= 20, iat= 76, 73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 GLU QG 40 GLU QB 6.00 (# 2064:20 Preassigned 2.21, 2.66 A) &rst ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 608, 609, igr2= 605, 606, &end # # 8 MET HB2 8 MET HG2 3.50 (# 2065:20 Preassigned 2.45, 2.73 A) &rst ixpk= 2065, nxpk= 20, iat= 108, 111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS QB 40 GLU QG 6.00 (# 2067:20 Preassigned 2.06, 4.96 A) &rst ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 583, 584, igr2= 608, 609, &end # # 6 ALA QB 1 MET QG 6.00 (# 2073:20 Preassigned 2.22, 3.70 A) &rst ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 88, 89, 90, igr2= 11, 12, &end # # 32 GLU HA 32 GLU QB 3.50 (# 2077:20 Preassigned 2.19, 2.69 A) &rst ixpk= 2077, nxpk= 20, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 460, 461, &end # # 27 THR HB 68 GLN QB 3.50 (# 2078:20 Preassigned 2.60, 3.48 A) &rst ixpk= 2078, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1018,1019, &end # # 17 ARG HA 17 ARG HB3 3.50 (# 2079:20 Preassigned 2.20, 2.50 A) &rst ixpk= 2079, nxpk= 20, iat= 244, 247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 GLU HA 73 GLU HB2 4.50 (# 2080:20 Preassigned 2.80, 2.99 A) &rst ixpk= 2080, nxpk= 20, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 GLU HA 73 GLU HB3 3.50 (# 2081:20 Preassigned 2.20, 2.36 A) &rst ixpk= 2081, nxpk= 20, iat=1092,1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 42 PRO HD2 42 PRO HB2 6.00 (# 2084:20 Preassigned 2.74, 3.54 A) &rst ixpk= 2084, nxpk= 20, iat= 636, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 ARG HD2 17 ARG HB2 6.00 (# 2086:20 Preassigned 2.19, 3.27 A) &rst ixpk= 2086, nxpk= 20, iat= 252, 246, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 LEU HG 32 GLU QB 4.50 (# 2095:20 Preassigned 4.07, 5.01 A) &rst ixpk= 2095, nxpk= 20, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 460, 461, &end # # 26 GLN HA 26 GLN HB2 4.50 (# 2096:20 Preassigned 2.36, 2.75 A) &rst ixpk= 2096, nxpk= 20, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 GLN HA 26 GLN HB3 4.50 (# 2097:20 Preassigned 2.29, 2.55 A) &rst ixpk= 2097, nxpk= 20, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 86 HIS HA 86 HIS HB2 4.50 (# 2098:20 Preassigned 2.29, 2.52 A) &rst ixpk= 2098, nxpk= 20, iat=1283,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 86 HIS HA 86 HIS HB3 6.00 (# 2099:20 Preassigned 2.30, 2.51 A) &rst ixpk= 2099, nxpk= 20, iat=1283,1286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 3 GLU HA 3 GLU QB 3.50 (# 2102:20 Preassigned 2.26, 2.65 A) &rst ixpk= 2102, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 39, 40, &end # # 38 GLU HA 38 GLU HB2 4.50 (# 2103:20 Preassigned 2.95, 3.00 A) &rst ixpk= 2103, nxpk= 20, iat= 566, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS HA 39 LYS QD 4.50 (# 2120:20 Preassigned 2.46, 3.79 A) &rst ixpk= 2120, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 589, 590, &end # # 43 GLY QA 46 GLN QB 4.50 (# 2124:20 Preassigned 3.28, 5.91 A) &rst ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 651, 652, igr2= 699, 700, &end # # 39 LYS QE 39 LYS QD 4.50 (# 2130:20 Preassigned 2.34, 2.62 A) &rst ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 592, 593, igr2= 589, 590, &end # # 39 LYS HG2 39 LYS QD 3.50 (# 2146:20 Preassigned 2.28, 2.56 A) &rst ixpk= 2146, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 589, 590, &end # # 46 GLN HA 46 GLN QB 3.50 (# 2151:20 Preassigned 2.36, 2.72 A) &rst ixpk= 2151, nxpk= 20, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 699, 700, &end # # 46 GLN QG 46 GLN QB 3.50 (# 2157:20 Preassigned 2.27, 2.68 A) &rst ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 702, 703, igr2= 699, 700, &end # # 17 ARG HA 17 ARG HG3 4.50 (# 2166:20 Preassigned 2.68, 3.09 A) &rst ixpk= 2166, nxpk= 20, iat= 244, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 VAL HA 17 ARG HG3 4.50 (# 2169:20 Preassigned 2.11, 2.94 A) &rst ixpk= 2169, nxpk= 20, iat= 197, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 ASP HA 58 LEU HG 6.00 (# 2178:20 Preassigned 4.72, 5.42 A) &rst ixpk= 2178, nxpk= 20, iat= 826, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 57 LEU HA 57 LEU HG 3.50 (# 2181:20 Preassigned 3.42, 3.62 A) &rst ixpk= 2181, nxpk= 20, iat= 860, 865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 72 SER HA 75 ILE QG1 4.50 (# 2182:20 Preassigned 4.35, 5.09 A) &rst ixpk= 2182, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1135,1136, &end # # 42 PRO HD3 42 PRO QG 6.00 (# 2184:20 Preassigned 2.26, 2.56 A) &rst ixpk= 2184, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 639, 640, &end # # 17 ARG HD2 17 ARG HG3 4.50 (# 2187:20 Preassigned 2.26, 2.64 A) &rst ixpk= 2187, nxpk= 20, iat= 252, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HA 75 ILE QG1 6.00 (# 2188:20 Preassigned 2.12, 3.15 A) &rst ixpk= 2188, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1135,1136, &end # # 42 PRO HB3 42 PRO QG 3.50 (# 2194:20 Preassigned 2.30, 2.62 A) &rst ixpk= 2194, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 639, 640, &end # # 58 LEU HB3 58 LEU HG 6.00 (# 2197:20 Preassigned 2.52, 2.82 A) &rst ixpk= 2197, nxpk= 20, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 75 ILE HB 75 ILE QG1 3.50 (# 2198:20 Preassigned 2.27, 2.60 A) &rst ixpk= 2198, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1135,1136, &end # # 58 LEU HA 58 LEU HG 4.50 (# 2201:20 Preassigned 2.39, 2.57 A) &rst ixpk= 2201, nxpk= 20, iat= 879, 884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 LYS HA 59 LYS HG2 4.50 (# 2216:20 Preassigned 2.29, 2.46 A) &rst ixpk= 2216, nxpk= 20, iat= 898, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 LEU HA 61 LEU HG 6.00 (# 2217:20 Preassigned 2.14, 3.51 A) &rst ixpk= 2217, nxpk= 20, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 LEU HG 58 LEU QD1 3.50 (# 2221:20 Preassigned 2.24, 2.66 A) &rst ixpk= 2221, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 886, 887, 888, &end # # 28 LEU HB3 58 LEU QD1 4.50 (# 2222:20 Preassigned 2.99, 3.73 A) &rst ixpk= 2222, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 886, 887, 888, &end # # 39 LYS HA 39 LYS HG2 4.50 (# 2225:20 Preassigned 2.33, 3.04 A) &rst ixpk= 2225, nxpk= 20, iat= 581, 586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 LYS HA 39 LYS HG3 3.50 (# 2226:20 Preassigned 2.14, 2.78 A) &rst ixpk= 2226, nxpk= 20, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LYS HA 59 LYS HG3 3.50 (# 2228:20 Preassigned 2.92, 3.49 A) &rst ixpk= 2228, nxpk= 20, iat= 898, 904, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 LEU HA 61 LEU QD1 4.50 (# 2229:20 Preassigned 3.96, 4.83 A) &rst ixpk= 2229, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 939, 940, 941, &end # # 56 LYS HA 56 LYS HG2 4.50 (# 2230:20 Preassigned 2.50, 3.13 A) &rst ixpk= 2230, nxpk= 20, iat= 838, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 LYS HA 34 LYS HG3 6.00 (# 2233:20 Preassigned 2.69, 3.53 A) &rst ixpk= 2233, nxpk= 20, iat= 492, 498, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 LYS HE2 56 LYS HG2 4.50 (# 2237:20 Preassigned 2.10, 3.07 A) &rst ixpk= 2237, nxpk= 20, iat= 849, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 LYS HB2 34 LYS HG3 4.50 (# 2240:20 Preassigned 2.15, 2.27 A) &rst ixpk= 2240, nxpk= 20, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 LEU HB2 61 LEU QD1 3.50 (# 2242:20 Preassigned 2.25, 3.02 A) &rst ixpk= 2242, nxpk= 20, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 939, 940, 941, &end # # 56 LYS QB 56 LYS HG2 3.50 (# 2244:20 Preassigned 2.31, 2.74 A) &rst ixpk= 2244, nxpk= 20, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 840, 841, &end # # 61 LEU HB3 61 LEU QD1 3.50 (# 2248:20 Preassigned 2.41, 3.31 A) &rst ixpk= 2248, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 939, 940, 941, &end # # 55 ASP HA 59 LYS HG3 4.50 (# 2249:20 Preassigned 4.47, 4.81 A) &rst ixpk= 2249, nxpk= 20, iat= 826, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 LYS HB3 58 LEU QD1 3.50 (# 2259:20 Double Ambig) &rst ixpk= 2259, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 886, 887, 888, &end # # 95 LYS HA 94 LEU QD1 4.50 (# 2263:20 Preassigned 3.85, 5.66 A) &rst ixpk= 2263, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1428,1429,1430, &end # # 39 LEU HB3 39 LYS QE 6.00 (# 2297:20 Unique 2.78, 6.60 A) &rst ixpk= 2297, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 592, 593, &end # # 27 THR QG 70 ASP HB2 6.00 (# 2299:20 Preassigned 2.72, 5.31 A) &rst ixpk= 2299, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 386, 387, 388, &end # # 27 THR QG 70 ASP HB3 4.50 (# 2300:20 Preassigned 2.90, 5.12 A) &rst ixpk= 2300, nxpk= 20, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 58 LEU QD1 62 ASP QB 4.50 (# 2302:20 Double Ambig) &rst ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 886, 887, 888, igr2= 953, 954, &end # # 57 LEU QQD 57 LEU HB2 3.50 (# 2304:20 Preassigned 2.41, 3.55 A) &rst ixpk= 2304, nxpk= 20, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 867, 868, 869, 871, 872, 873, &end # # 61 LEU QD1 62 ASP QB 4.50 (# 2306:20 Preassigned 4.10, 6.30 A) &rst ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 939, 940, 941, igr2= 953, 954, &end # # 61 LEU QD2 62 ASP QB 6.00 (# 2307:20 Preassigned 4.59, 6.37 A) &rst ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 943, 944, 945, igr2= 953, 954, &end # # 33 LEU QD1 33 LEU HB2 6.00 (# 2311:20 Preassigned 2.39, 2.99 A) &rst ixpk= 2311, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 480, 481, 482, &end # # 33 LEU QD1 58 LEU HB2 3.50 (# 2313:20 Double Ambig) &rst ixpk= 2313, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 480, 481, 482, &end # # 58 LEU QD1 33 LEU HB2 6.00 (# 2315:20 Preassigned 3.43, 4.88 A) &rst ixpk= 2315, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 886, 887, 888, &end # # 58 LEU QD1 58 LEU HB2 3.50 (# 2316:20 Preassigned 2.26, 3.15 A) &rst ixpk= 2316, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 886, 887, 888, &end # # 45 LEU QQD 45 LEU HB2 3.50 (# 2317:20 Preassigned 2.36, 3.43 A) &rst ixpk= 2317, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 58 LEU QD1 58 LEU HB3 3.50 (# 2318:20 Preassigned 2.99, 3.73 A) &rst ixpk= 2318, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 886, 887, 888, &end # # 69 VAL QG2 33 LEU HB2 6.00 (# 2319:20 Preassigned 3.43, 4.88 A) &rst ixpk= 2319, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1041,1042,1043, &end # # 33 LEU QD2 33 LEU HB2 4.50 (# 2321:20 Preassigned 2.40, 3.46 A) &rst ixpk= 2321, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 484, 485, 486, &end # # 33 LEU QD2 33 LEU HB3 4.50 (# 2322:20 Preassigned 2.31, 3.14 A) &rst ixpk= 2322, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 484, 485, 486, &end # # 58 LEU QD1 33 LEU HB2 6.00 (# 2326:20 Preassigned 3.43, 4.88 A) &rst ixpk= 2326, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 886, 887, 888, &end # # 61 LEU QD1 61 LEU HB3 4.50 (# 2327:20 Preassigned 2.41, 3.31 A) &rst ixpk= 2327, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 939, 940, 941, &end # # 36 LEU HB3 18 TYR HB3 6.00 (# 2329:20 Preassigned 5.04, 5.48 A) &rst ixpk= 2329, nxpk= 20, iat= 533, 271, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 LEU QQD 18 TYR HB2 4.50 (# 2330:20 Preassigned 2.14, 4.61 A) &rst ixpk= 2330, nxpk= 20, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 28 LEU QQD 18 TYR HB3 4.50 (# 2331:20 Preassigned 2.74, 4.89 A) &rst ixpk= 2331, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 403, 404, 405, 407, 408, 409, &end # # 33 LEU QD1 74 PHE HB2 6.00 (# 2338:20 Preassigned 4.82, 6.42 A) &rst ixpk= 2338, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 480, 481, 482, &end # # 69 VAL QG1 77 PHE HB2 6.00 (# 2339:20 Double Ambig) &rst ixpk= 2339, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1037,1038,1039, &end # # 69 VAL QG1 74 PHE HB3 4.50 (# 2340:20 Double Ambig) &rst ixpk= 2340, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1037,1038,1039, &end # # 33 LEU QD1 74 PHE HB2 6.00 (# 2341:20 Preassigned 4.82, 6.42 A) &rst ixpk= 2341, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 480, 481, 482, &end # # 12 ILE QG2 15 PHE HB3 4.50 (# 2344:20 Preassigned 3.97, 5.41 A) &rst ixpk= 2344, nxpk= 20, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 170, 171, 172, &end # # 76 VAL QG2 64 ASN HB2 4.50 (# 2345:20 Double Ambig) &rst ixpk= 2345, nxpk= 20, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1154,1155,1156, &end # # 61 LEU QD1 77 PHE HB2 3.50 (# 2346:20 Preassigned 2.15, 4.01 A) &rst ixpk= 2346, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 939, 940, 941, &end # # 61 LEU QD1 77 PHE HB3 4.50 (# 2347:20 Preassigned 2.28, 3.99 A) &rst ixpk= 2347, nxpk= 20, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 939, 940, 941, &end # # 61 LEU QD1 74 PHE HB2 6.00 (# 2348:20 Double Ambig) &rst ixpk= 2348, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 939, 940, 941, &end # # 11 ILE QG1 11 ILE HB 3.50 (# 2368:20 Preassigned 2.25, 2.47 A) &rst ixpk= 2368, nxpk= 20, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 155, 156, &end # # 41 LEU QD1 44 PHE QB 4.50 (# 2370:20 Preassigned 2.49, 6.28 A) &rst ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 625, 626, 627, igr2= 660, 661, &end # # 11 ILE QD 11 ILE HB 3.50 (# 2371:20 Preassigned 2.30, 3.70 A) &rst ixpk= 2371, nxpk= 20, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 158, 159, 160, &end # # 28 LEU QQD 32 GLU QG 6.00 (# 2374:20 Preassigned 2.35, 5.31 A) &rst ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 403, 404, 405, 407, 408, 409, igr2= 463, 464, &end # # 75 ILE QD 11 ILE HB 4.50 (# 2376:20 Preassigned 2.27, 3.69 A) &rst ixpk= 2376, nxpk= 20, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1138,1139,1140, &end # # 75 ILE QD 12 ILE HB 4.50 (# 2377:20 Unique 4.23, 5.49 A) &rst ixpk= 2377, nxpk= 20, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1138,1139,1140, &end # # 34 LYS HG3 38 GLU QG 4.50 (# 2378:20 Preassigned 4.31, 6.18 A) &rst ixpk= 2378, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 571, 572, &end # # 29 THR QG 32 GLU QG 4.50 (# 2379:20 Double Ambig) &rst ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 419, 420, 421, igr2= 463, 464, &end # # 69 VAL QG1 73 GLU HG2 4.50 (# 2381:20 Preassigned 3.18, 5.73 A) &rst ixpk= 2381, nxpk= 20, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1037,1038,1039, &end # # 45 LEU QQD 38 GLU QG 4.50 (# 2383:20 Double Ambig) &rst ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 685, 686, 687, 689, 690, 691, igr2= 571, 572, &end # # 81 ILE QG2 81 ILE HB 3.50 (# 2385:20 Preassigned 2.29, 2.65 A) &rst ixpk= 2385, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1222,1223,1224, &end # # 78 VAL QG2 81 ILE HB 6.00 (# 2387:20 Preassigned 3.48, 4.98 A) &rst ixpk= 2387, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1190,1191,1192, &end # # 11 ILE QG1 75 ILE HB 6.00 (# 2394:20 Preassigned 4.45, 5.99 A) &rst ixpk= 2394, nxpk= 20, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 155, 156, &end # # 33 LEU QD1 28 LEU HG 4.50 (# 2395:20 Preassigned 3.75, 4.54 A) &rst ixpk= 2395, nxpk= 20, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 480, 481, 482, &end # # 75 ILE QG1 75 ILE HB 3.50 (# 2396:20 Preassigned 2.27, 2.60 A) &rst ixpk= 2396, nxpk= 20, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1135,1136, &end # # 75 ILE QG2 75 ILE HB 3.50 (# 2398:20 Preassigned 2.23, 2.66 A) &rst ixpk= 2398, nxpk= 20, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1131,1132,1133, &end # # 33 LEU QD1 30 LYS QG 6.00 (# 2405:20 Double Ambig) &rst ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 480, 481, 482, igr2= 434, 435, &end # # 29 THR QG 68 GLN HG2 4.50 (# 2408:20 Preassigned 4.15, 4.74 A) &rst ixpk= 2408, nxpk= 20, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 419, 420, 421, &end # # 29 THR QG 68 GLN HG3 4.50 (# 2409:20 Preassigned 4.99, 5.77 A) &rst ixpk= 2409, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 419, 420, 421, &end # # 27 THR QG 68 GLN HG2 4.50 (# 2411:20 Preassigned 3.43, 5.13 A) &rst ixpk= 2411, nxpk= 20, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 27 THR QG 68 GLN HG3 4.50 (# 2412:20 Preassigned 4.52, 5.84 A) &rst ixpk= 2412, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 386, 387, 388, &end # # 69 VAL QG1 69 VAL HB 3.50 (# 2413:20 Preassigned 2.37, 2.64 A) &rst ixpk= 2413, nxpk= 20, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1037,1038,1039, &end # # 69 VAL QG2 69 VAL HB 3.50 (# 2415:20 Preassigned 2.21, 2.65 A) &rst ixpk= 2415, nxpk= 20, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1041,1042,1043, &end # # 61 LEU QD1 69 VAL HB 4.50 (# 2418:20 Preassigned 3.61, 4.84 A) &rst ixpk= 2418, nxpk= 20, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 939, 940, 941, &end # # 36 LEU QD2 39 LYS QB 6.00 (# 2421:20 Preassigned 2.84, 6.01 A) &rst ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 541, 542, 543, igr2= 583, 584, &end # # 36 LEU HB3 39 LYS QB 4.50 (# 2423:20 Preassigned 4.43, 5.39 A) &rst ixpk= 2423, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 583, 584, &end # # 54 VAL QG2 37 MET HG2 4.50 (# 2430:20 Double Ambig) &rst ixpk= 2430, nxpk= 20, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 818, 819, 820, &end # # 36 LEU QD1 37 MET HG2 4.50 (# 2434:20 Preassigned 4.57, 5.71 A) &rst ixpk= 2434, nxpk= 20, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 537, 538, 539, &end # # 33 LEU QD2 37 MET HG3 4.50 (# 2435:20 Double Ambig) &rst ixpk= 2435, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 484, 485, 486, &end # # 34 LYS HG3 37 MET HG2 6.00 (# 2437:20 Double Ambig) &rst ixpk= 2437, nxpk= 20, iat= 498, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 VAL QQG 14 VAL HB 3.50 (# 2439:20 Preassigned 2.38, 2.65 A) &rst ixpk= 2439, nxpk= 20, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 201, 202, 203, 205, 206, 207, &end # # 54 VAL QG1 54 VAL HB 3.50 (# 2440:20 Preassigned 2.28, 2.65 A) &rst ixpk= 2440, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 814, 815, 816, &end # # 36 LEU QD2 14 VAL HB 6.00 (# 2443:20 Unique 3.80, 6.36 A) &rst ixpk= 2443, nxpk= 20, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 541, 542, 543, &end # # 41 LEU QD1 40 GLU QG 4.50 (# 2447:20 Unique 2.15, 6.24 A) &rst ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 625, 626, 627, igr2= 608, 609, &end # # 54 VAL QG2 34 LYS HB2 3.50 (# 2448:20 Preassigned 2.45, 2.67 A) &rst ixpk= 2448, nxpk= 20, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 818, 819, 820, &end # # 78 VAL QG1 78 VAL HB 3.50 (# 2452:20 Preassigned 2.28, 2.62 A) &rst ixpk= 2452, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1186,1187,1188, &end # # 76 VAL QG2 76 VAL HB 3.50 (# 2453:20 Preassigned 2.35, 2.67 A) &rst ixpk= 2453, nxpk= 20, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1154,1155,1156, &end # # 75 ILE QD 78 VAL HB 3.50 (# 2455:20 Preassigned 2.24, 2.64 A) &rst ixpk= 2455, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1138,1139,1140, &end # # 5 GLU HG3 1 MET QG 6.00 (# 2456:20 Preassigned 5.65, 6.99 A) &rst ixpk= 2456, nxpk= 20, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 11, 12, &end # # 11 ILE QG1 8 MET HG3 6.00 (# 2458:20 Preassigned 2.36, 5.01 A) &rst ixpk= 2458, nxpk= 20, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 155, 156, &end # # 36 LEU QD1 40 GLU QG 4.50 (# 2461:20 Preassigned 2.31, 4.58 A) &rst ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 537, 538, 539, igr2= 608, 609, &end # # 27 THR QG 68 GLN QB 3.50 (# 2463:20 Preassigned 2.07, 3.79 A) &rst ixpk= 2463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 386, 387, 388, igr2=1018,1019, &end # # 36 LEU QD1 40 GLU QB 4.50 (# 2465:20 Preassigned 3.65, 6.32 A) &rst ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 537, 538, 539, igr2= 605, 606, &end # # 36 LEU QD2 40 GLU QB 4.50 (# 2466:20 Preassigned 3.74, 5.88 A) &rst ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 541, 542, 543, igr2= 605, 606, &end # # 69 VAL QG2 73 GLU HB2 3.50 (# 2470:20 Double Ambig) &rst ixpk= 2470, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1041,1042,1043, &end # # 54 VAL QG1 34 LYS QD 3.50 (# 2481:20 Double Ambig) &rst ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 814, 815, 816, igr2= 500, 501, &end # # 33 LEU QD1 33 LEU HG 3.50 (# 2494:20 Preassigned 2.38, 2.65 A) &rst ixpk= 2494, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 480, 481, 482, &end # # 69 VAL QG2 58 LEU HG 3.50 (# 2497:20 Preassigned 2.24, 2.66 A) &rst ixpk= 2497, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1041,1042,1043, &end # # 45 LEU QQD 57 LEU HG 4.50 (# 2498:20 Double Ambig) &rst ixpk= 2498, nxpk= 20, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 685, 686, 687, 689, 690, 691, &end # # 94 LEU QD2 94 LEU HG 3.50 (# 2499:20 Preassigned 2.42, 2.65 A) &rst ixpk= 2499, nxpk= 20, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1432,1433,1434, &end # # 45 LEU QQD 45 LEU HG 3.50 (# 2500:20 Preassigned 2.29, 2.64 A) &rst ixpk= 2500, nxpk= 20, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 687, 689, 690, 691, &end # # 75 ILE QD 75 ILE QG1 3.50 (# 2501:20 Preassigned 2.29, 2.65 A) &rst ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1138,1139,1140, igr2=1135,1136, &end # # 33 LEU QD2 33 LEU HG 3.50 (# 2508:20 Preassigned 2.31, 2.65 A) &rst ixpk= 2508, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 484, 485, 486, &end # # 61 LEU QD2 61 LEU HG 6.00 (# 2511:20 Preassigned 2.21, 2.65 A) &rst ixpk= 2511, nxpk= 20, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 943, 944, 945, &end # # 61 LEU QD1 61 LEU HG 6.00 (# 2514:20 Preassigned 2.13, 2.61 A) &rst ixpk= 2514, nxpk= 20, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 939, 940, 941, &end # # 74 PHE HE1 78 VAL QG2 4.50 (# 2632:20 Preassigned 2.40, 4.53 A) &rst ixpk= 2632, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1190,1191,1192, &end # # 2 THR HB 2 THR QG 3.50 (# 2643:20 Preassigned 2.29, 2.65 A) &rst ixpk= 2643, nxpk= 20, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 27, 28, 29, &end # # 27 THR HA 27 THR QG 4.50 (# 2648:20 Preassigned 2.43, 3.24 A) &rst ixpk= 2648, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 386, 387, 388, &end # # 49 LYS HA 54 VAL QG1 4.50 (# 2711:20 Double Ambig) &rst ixpk= 2711, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 814, 815, 816, &end # # 54 VAL HA 54 VAL QG1 4.50 (# 2714:20 Preassigned 2.48, 3.27 A) &rst ixpk= 2714, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 814, 815, 816, &end # # 78 VAL HA 78 VAL QG2 4.50 (# 2715:20 Preassigned 2.13, 2.83 A) &rst ixpk= 2715, nxpk= 20, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1190,1191,1192, &end # # 54 VAL HB 54 VAL QG1 4.50 (# 2720:20 Preassigned 2.28, 2.65 A) &rst ixpk= 2720, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 814, 815, 816, &end # # 76 VAL HB 76 VAL QG1 3.50 (# 2723:20 Preassigned 2.45, 2.67 A) &rst ixpk= 2723, nxpk= 20, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1150,1151,1152, &end # # 78 VAL HB 78 VAL QG2 3.50 (# 2725:20 Preassigned 2.24, 2.64 A) &rst ixpk= 2725, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1190,1191,1192, &end # # 58 LEU HB3 54 VAL QG1 4.50 (# 2726:20 Preassigned 5.01, 6.29 A) &rst ixpk= 2726, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 814, 815, 816, &end # # 58 LEU HA 58 LEU QD2 3.50 (# 2727:20 Preassigned 3.96, 4.51 A) &rst ixpk= 2727, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 890, 891, 892, &end # # 61 LEU HA 61 LEU QD2 4.50 (# 2728:20 Preassigned 3.20, 4.35 A) &rst ixpk= 2728, nxpk= 20, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 943, 944, 945, &end # # 75 ILE HA 78 VAL QG2 4.50 (# 2729:20 Preassigned 3.46, 4.63 A) &rst ixpk= 2729, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1190,1191,1192, &end # # 61 LEU HG 61 LEU QD2 3.50 (# 2734:20 Preassigned 2.21, 2.65 A) &rst ixpk= 2734, nxpk= 20, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 943, 944, 945, &end # # 58 LEU HG 58 LEU QD2 3.50 (# 2735:20 Preassigned 2.40, 2.66 A) &rst ixpk= 2735, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 890, 891, 892, &end # # 81 ILE HB 78 VAL QG2 4.50 (# 2736:20 Preassigned 3.48, 4.98 A) &rst ixpk= 2736, nxpk= 20, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1190,1191,1192, &end # # 59 LYS QB 61 LEU QD2 4.50 (# 2737:20 Preassigned 3.75, 5.04 A) &rst ixpk= 2737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 900, 901, igr2= 943, 944, 945, &end # # 30 LYS HB3 29 THR QG 4.50 (# 2739:20 Preassigned 4.36, 5.69 A) &rst ixpk= 2739, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 419, 420, 421, &end # # 34 LYS QD 54 VAL QG1 4.50 (# 2740:20 Double Ambig) &rst ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 500, 501, igr2= 814, 815, 816, &end # # 61 LEU HB3 61 LEU QD2 3.50 (# 2746:20 Preassigned 2.36, 3.20 A) &rst ixpk= 2746, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 943, 944, 945, &end # # 58 LEU HB3 58 LEU QD2 3.50 (# 2747:20 Preassigned 2.21, 2.88 A) &rst ixpk= 2747, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 890, 891, 892, &end # # 2 THR HA 2 THR QG 4.50 (# 2748:20 Preassigned 2.46, 3.54 A) &rst ixpk= 2748, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 27, 28, 29, &end # # 69 VAL HA 69 VAL QG1 4.50 (# 2749:20 Preassigned 2.53, 3.25 A) &rst ixpk= 2749, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1037,1038,1039, &end # # 1 MET HA 2 THR QG 6.00 (# 2750:20 Preassigned 3.22, 4.72 A) &rst ixpk= 2750, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 27, 28, 29, &end # # 25 THR HA 25 THR QG 3.50 (# 2751:20 Preassigned 2.48, 3.34 A) &rst ixpk= 2751, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 355, 356, 357, &end # # 1 MET HA 2 THR QG 6.00 (# 2752:20 Preassigned 3.22, 4.72 A) &rst ixpk= 2752, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 27, 28, 29, &end # # 25 THR HB 25 THR QG 3.50 (# 2756:20 Double Ambig) &rst ixpk= 2756, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 355, 356, 357, &end # # 30 LYS HA 29 THR QG 4.50 (# 2757:20 Preassigned 4.86, 5.85 A) &rst ixpk= 2757, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 419, 420, 421, &end # # 54 VAL HA 54 VAL QG2 4.50 (# 2758:20 Preassigned 2.26, 3.05 A) &rst ixpk= 2758, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 818, 819, 820, &end # # 75 ILE HA 78 VAL QG1 6.00 (# 2761:20 Preassigned 3.63, 4.45 A) &rst ixpk= 2761, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1186,1187,1188, &end # # 60 ASP HB2 61 LEU QD2 6.00 (# 2763:20 Double Ambig) &rst ixpk= 2763, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 943, 944, 945, &end # # 62 ASP QB 61 LEU QD2 6.00 (# 2766:20 Preassigned 4.59, 6.37 A) &rst ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 953, 954, igr2= 943, 944, 945, &end # # 32 GLU QG 29 THR QG 3.50 (# 2768:20 Preassigned 4.15, 4.74 A) &rst ixpk= 2768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 463, 464, igr2= 419, 420, 421, &end # # 5 GLU HB2 2 THR QG 4.50 (# 2770:20 Preassigned 3.06, 4.53 A) &rst ixpk= 2770, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 27, 28, 29, &end # # 69 VAL HB 69 VAL QG1 3.50 (# 2771:20 Preassigned 2.37, 2.64 A) &rst ixpk= 2771, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1037,1038,1039, &end # # 61 LEU HB3 69 VAL QG1 4.50 (# 2777:20 Double Ambig) &rst ixpk= 2777, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1037,1038,1039, &end # # 27 THR HB 27 THR QG 3.50 (# 2779:20 Preassigned 2.33, 2.66 A) &rst ixpk= 2779, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 386, 387, 388, &end # # 45 LEU HA 54 VAL QG2 6.00 (# 2780:20 Preassigned 4.49, 6.26 A) &rst ixpk= 2780, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 818, 819, 820, &end # # 82 THR HB 82 THR QG 4.50 (# 2781:20 Preassigned 2.23, 2.64 A) &rst ixpk= 2781, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1241,1242,1243, &end # # 82 THR HA 82 THR QG 4.50 (# 2783:20 Preassigned 2.53, 3.35 A) &rst ixpk= 2783, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1241,1242,1243, &end # # 70 ASP HB3 27 THR QG 6.00 (# 2784:20 Preassigned 2.90, 5.12 A) &rst ixpk= 2784, nxpk= 20, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 386, 387, 388, &end # # 54 VAL HB 54 VAL QG2 3.50 (# 2786:20 Preassigned 2.30, 2.66 A) &rst ixpk= 2786, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 818, 819, 820, &end # # 73 GLU HB3 69 VAL QG1 4.50 (# 2791:20 Preassigned 2.07, 3.79 A) &rst ixpk= 2791, nxpk= 20, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1037,1038,1039, &end # # 78 VAL HB 78 VAL QG1 3.50 (# 2794:20 Preassigned 2.28, 2.62 A) &rst ixpk= 2794, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1186,1187,1188, &end # # 69 VAL HA 69 VAL QG2 6.00 (# 2795:20 Preassigned 2.48, 3.14 A) &rst ixpk= 2795, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1041,1042,1043, &end # # 30 LYS HA 69 VAL QG2 6.00 (# 2797:20 Preassigned 4.62, 6.00 A) &rst ixpk= 2797, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1041,1042,1043, &end # # 76 VAL HA 76 VAL QG2 4.50 (# 2798:20 Preassigned 2.41, 3.26 A) &rst ixpk= 2798, nxpk= 20, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1154,1155,1156, &end # # 69 VAL HB 69 VAL QG2 3.50 (# 2801:20 Preassigned 2.21, 2.65 A) &rst ixpk= 2801, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1041,1042,1043, &end # # 76 VAL HB 76 VAL QG2 3.50 (# 2802:20 Preassigned 2.35, 2.67 A) &rst ixpk= 2802, nxpk= 20, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1154,1155,1156, &end # # 61 LEU HB3 69 VAL QG2 3.50 (# 2804:20 Preassigned 2.85, 5.25 A) &rst ixpk= 2804, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1041,1042,1043, &end # # 7 ALA HA 7 ALA QB 4.50 (# 2819:20 Preassigned 2.21, 2.64 A) &rst ixpk= 2819, nxpk= 20, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 98, 99, 100, &end # # 67 ALA HA 67 ALA QB 3.50 (# 2820:20 Preassigned 2.43, 2.67 A) &rst ixpk= 2820, nxpk= 20, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1008,1009,1010, &end # # 84 ALA HA 84 ALA QB 3.50 (# 2821:20 Preassigned 2.40, 2.66 A) &rst ixpk= 2821, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1264,1265,1266, &end # # 3 GLU HA 7 ALA QB 4.50 (# 2822:20 Preassigned 2.95, 5.52 A) &rst ixpk= 2822, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 98, 99, 100, &end # # 64 ASN HB2 63 ALA QB 4.50 (# 2824:20 Double Ambig) &rst ixpk= 2824, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 965, 966, 967, &end # # 58 LEU HG 67 ALA QB 4.50 (# 2831:20 Preassigned 4.50, 6.18 A) &rst ixpk= 2831, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1008,1009,1010, &end # # 53 ALA HA 53 ALA QB 3.50 (# 2836:20 Preassigned 2.30, 2.61 A) &rst ixpk= 2836, nxpk= 20, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 802, 803, 804, &end # # 81 ILE HA 84 ALA QB 4.50 (# 2837:20 Preassigned 2.12, 3.17 A) &rst ixpk= 2837, nxpk= 20, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1264,1265,1266, &end # # 57 LEU HB2 53 ALA QB 4.50 (# 2844:20 Preassigned 4.93, 6.01 A) &rst ixpk= 2844, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 802, 803, 804, &end # # 6 ALA HA 6 ALA QB 3.50 (# 2850:20 Preassigned 2.26, 2.64 A) &rst ixpk= 2850, nxpk= 20, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 88, 89, 90, &end # # 80 ALA HA 80 ALA QB 3.50 (# 2853:20 Preassigned 2.41, 2.66 A) &rst ixpk= 2853, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1210,1211,1212, &end # # 79 ALA HA 79 ALA QB 3.50 (# 2854:20 Preassigned 2.33, 2.63 A) &rst ixpk= 2854, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1200,1201,1202, &end # # 1 MET QG 6 ALA QB 6.00 (# 2861:20 Preassigned 2.22, 3.70 A) &rst ixpk= 2861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 11, 12, igr2= 88, 89, 90, &end # # 5 GLU HB2 6 ALA QB 4.50 (# 2863:20 Preassigned 4.16, 5.55 A) &rst ixpk= 2863, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 88, 89, 90, &end # # 13 ASP HA 12 ILE QG2 6.00 (# 2871:20 Preassigned 3.53, 4.77 A) &rst ixpk= 2871, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 170, 171, 172, &end # # 9 GLY HA2 12 ILE QG2 4.50 (# 2875:20 Preassigned 2.98, 4.71 A) &rst ixpk= 2875, nxpk= 20, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 170, 171, 172, &end # # 12 ILE HA 12 ILE QG2 4.50 (# 2878:20 Preassigned 2.75, 3.47 A) &rst ixpk= 2878, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 170, 171, 172, &end # # 72 SER HA 75 ILE QG2 4.50 (# 2879:20 Unique 2.20, 2.98 A) &rst ixpk= 2879, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1131,1132,1133, &end # # 76 VAL HA 75 ILE QG2 4.50 (# 2880:20 Preassigned 3.38, 4.58 A) &rst ixpk= 2880, nxpk= 20, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1131,1132,1133, &end # # 75 ILE HA 75 ILE QG2 4.50 (# 2881:20 Preassigned 3.64, 3.93 A) &rst ixpk= 2881, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1131,1132,1133, &end # # 12 ILE HB 12 ILE QG2 4.50 (# 2886:20 Preassigned 2.37, 2.63 A) &rst ixpk= 2886, nxpk= 20, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 170, 171, 172, &end # # 75 ILE HB 75 ILE QG2 4.50 (# 2891:20 Preassigned 2.23, 2.66 A) &rst ixpk= 2891, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1131,1132,1133, &end # # 8 MET HA 11 ILE QD 6.00 (# 2919:20 Preassigned 2.10, 4.36 A) &rst ixpk= 2919, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 158, 159, 160, &end # # 11 ILE HA 11 ILE QD 6.00 (# 2923:20 Preassigned 2.77, 4.18 A) &rst ixpk= 2923, nxpk= 20, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 158, 159, 160, &end # # 8 MET HB3 11 ILE QD 4.50 (# 2932:20 Preassigned 4.45, 6.34 A) &rst ixpk= 2932, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 158, 159, 160, &end # # 11 ILE QG1 78 VAL QG2 4.50 (# 3048:20 Double Ambig) &rst ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 155, 156, igr2=1190,1191,1192, &end # # 61 LEU QD1 69 VAL QG1 3.50 (# 3069:20 Preassigned 2.09, 3.71 A) &rst ixpk= 3069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 939, 940, 941, igr2=1037,1038,1039, &end # # 11 ILE QD 7 ALA QB 4.50 (# 3089:20 Preassigned 2.81, 5.45 A) &rst ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 158, 159, 160, igr2= 98, 99, 100, &end # # 54 VAL QG2 53 ALA QB 3.50 (# 3090:20 Preassigned 4.02, 6.13 A) &rst ixpk= 3090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 818, 819, 820, igr2= 802, 803, 804, &end # # 75 ILE QD 11 ILE QD 4.50 (# 3139:20 Preassigned 2.66, 5.33 A) &rst ixpk= 3139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1138,1139,1140, igr2= 158, 159, 160, &end # # 34 LYS HB3 31 GLY QA 4.50 (# 3212:20 Preassigned 2.32, 4.07 A) &rst ixpk= 3212, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 451, 452, &end # # 17 ARG HG3 17 ARG HD3 4.50 (# 3213:20 Preassigned 2.36, 2.83 A) &rst ixpk= 3213, nxpk= 20, iat= 250, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 VAL HB 77 PHE HB3 6.00 (# 3214:20 Preassigned 4.25, 4.85 A) &rst ixpk= 3214, nxpk= 20, iat=1184,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 82 THR HB 82 THR HA 4.50 (# 3215:20 Unique 2.37, 2.57 A) &rst ixpk= 3215, nxpk= 20, iat=1239,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLU QG 28 LEU HB3 6.00 (# 3216:20 Preassigned 2.22, 3.60 A) &rst ixpk= 3216, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 463, 464, &end # # 94 LEU QD1 94 LEU HA 4.50 (# 3217:20 Preassigned 2.37, 4.05 A) &rst ixpk= 3217, nxpk= 20, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1428,1429,1430, &end # # 59 LYS HG2 62 ASP QB 4.50 (# 3220:20 Preassigned 4.04, 4.81 A) &rst ixpk= 3220, nxpk= 20, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 953, 954, &end # # 36 LEU HB3 37 MET HG2 6.00 (# 3221:20 Preassigned 2.57, 3.64 A) &rst ixpk= 3221, nxpk= 20, iat= 533, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 6 ALA QB 1 MET QG 4.50 (# 3223:20 Preassigned 2.22, 3.70 A) &rst ixpk= 3223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 88, 89, 90, igr2= 11, 12, &end # # 33 LEU QD1 37 MET HG2 6.00 (# 3225:20 Double Ambig) &rst ixpk= 3225, nxpk= 20, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 480, 481, 482, &end # # 5 GLU HB3 2 THR QG 3.50 (# 3228:20 Preassigned 3.51, 5.62 A) &rst ixpk= 3228, nxpk= 20, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 27, 28, 29, &end # # 66 ASP HB3 67 ALA QB 6.00 (# 3231:20 Preassigned 4.17, 6.26 A) &rst ixpk= 3231, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1008,1009,1010, &end # # 75 ILE HB 76 VAL QG2 4.50 (# 3232:20 Double Ambig) &rst ixpk= 3232, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1154,1155,1156, &end # # 3 GLU HG3 3 GLU HA 3.50 (# 3233:20 Preassigned 2.31, 2.90 A) &rst ixpk= 3233, nxpk= 20, iat= 43, 37, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HB2 64 ASN HB3 4.50 (# 3235:20 Unique 2.23, 4.93 A) &rst ixpk= 3235, nxpk= 20, iat= 934, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 VAL QG2 37 MET HG3 3.50 (# 3236:20 Double Ambig) &rst ixpk= 3236, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 818, 819, 820, &end # # 45 LEU HB3 42 PRO HA 4.50 (# 3237:20 Preassigned 5.42, 6.68 A) &rst ixpk= 3237, nxpk= 20, iat= 681, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 ILE HN 107 ILE HA 6.00 (# 3761:20 Preassigned 2.87, 2.91 A) &rst ixpk= 3761, nxpk= 20, iat=1623,1625, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 122 THR HA 122 THR HB 4.50 (# 3805:20 Preassigned 2.27, 2.40 A) &rst ixpk= 3805, nxpk= 20, iat=1841,1843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN HA 122 THR HB 6.00 (# 3806:20 Preassigned 3.11, 3.43 A) &rst ixpk= 3806, nxpk= 20, iat=2475,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 163 GLN HA 122 THR HB 6.00 (# 3807:20 Preassigned 3.11, 3.43 A) &rst ixpk= 3807, nxpk= 20, iat=2475,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 171 VAL HN 171 VAL HA 6.00 (# 3831:20 Preassigned 2.86, 2.91 A) &rst ixpk= 3831, nxpk= 20, iat=2603,2605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 107 ILE HA 4.50 (# 3838:20 Preassigned 2.29, 3.76 A) &rst ixpk= 3838, nxpk= 20, iat=2574,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE QE 110 PHE HA 6.00 (# 3854:20 Preassigned 4.41, 5.23 A) &rst ixpk= 3854, nxpk= 20, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1680,1684, &end # # 169 PHE HE1 110 PHE HA 6.00 (# 3855:20 Preassigned 5.03, 5.38 A) &rst ixpk= 3855, nxpk= 20, iat=2574,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 170 ILE HA 6.00 (# 3857:20 Preassigned 3.66, 4.30 A) &rst ixpk= 3857, nxpk= 20, iat=2574,2586, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 169 PHE HA 4.50 (# 3873:20 Preassigned 5.54, 5.80 A) &rst ixpk= 3873, nxpk= 20, iat=2574,2566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 124 THR HB 124 THR HA 4.50 (# 3878:20 Preassigned 2.46, 2.48 A) &rst ixpk= 3878, nxpk= 20, iat=1876,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN HA 124 THR HA 4.50 (# 3879:20 Preassigned 2.20, 2.43 A) &rst ixpk= 3879, nxpk= 20, iat=2475,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 119 SER HB2 122 THR HB 6.00 (# 3941:20 Double 0.00, 0.00) &rst ixpk= 3941, nxpk= 20, iat=1801,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 163 GLN HG2 122 THR HB 6.00 (# 3943:20 Preassigned 2.62, 3.99 A) &rst ixpk= 3943, nxpk= 20, iat=2480,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 163 GLN HG3 122 THR HB 6.00 (# 3945:20 Preassigned 4.28, 5.19 A) &rst ixpk= 3945, nxpk= 20, iat=2481,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 163 GLN QB 122 THR HB 4.50 (# 3946:20 Preassigned 2.60, 3.48 A) &rst ixpk= 3946, nxpk= 20, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2477,2478, &end # # 97 THR HA 97 THR HB 4.50 (# 3966:20 Preassigned 2.30, 2.51 A) &rst ixpk= 3966, nxpk= 20, iat=1482,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 181 HIS HB3 187 THR HB 6.00 (# 3975:20 Unique 2.44, 5.78 A) &rst ixpk= 3975, nxpk= 20, iat=2745,2861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 184 PHE QB 187 THR HB 6.00 (# 3976:20 Double 0.00, 0.00) &rst ixpk= 3976, nxpk= 20, iat= -1,2861, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2804,2805, &end # # 174 ALA HA 177 THR HB 3.50 (# 3998:20 Preassigned 2.38, 3.76 A) &rst ixpk= 3998, nxpk= 20, iat=2657,2698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 177 THR HA 177 THR HB 4.50 (# 4000:20 Preassigned 2.37, 2.57 A) &rst ixpk= 4000, nxpk= 20, iat=2696,2698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE HB 177 THR HB 6.00 (# 4001:20 Preassigned 3.99, 5.26 A) &rst ixpk= 4001, nxpk= 20, iat=2679,2698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 174 ALA QB 177 THR HB 6.00 (# 4003:20 Preassigned 4.31, 6.11 A) &rst ixpk= 4003, nxpk= 20, iat= -1,2698, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2659,2660,2661, &end # # 112 ARG HA 109 VAL HA 6.00 (# 4004:20 Preassigned 4.27, 5.05 A) &rst ixpk= 4004, nxpk= 20, iat=1703,1656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 112 ARG HD2 109 VAL HA 4.50 (# 4008:20 Preassigned 2.33, 3.30 A) &rst ixpk= 4008, nxpk= 20, iat=1711,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 VAL HB 109 VAL HA 4.50 (# 4009:20 Preassigned 2.56, 2.88 A) &rst ixpk= 4009, nxpk= 20, iat=1658,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HB2 109 VAL HA 4.50 (# 4010:20 Preassigned 2.43, 3.46 A) &rst ixpk= 4010, nxpk= 20, iat=1705,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HB3 109 VAL HA 4.50 (# 4011:20 Preassigned 3.95, 4.60 A) &rst ixpk= 4011, nxpk= 20, iat=1706,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HG2 109 VAL HA 4.50 (# 4012:20 Preassigned 2.02, 3.30 A) &rst ixpk= 4012, nxpk= 20, iat=1708,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 177 THR HB 177 THR HA 4.50 (# 4015:20 Preassigned 2.37, 2.57 A) &rst ixpk= 4015, nxpk= 20, iat=2698,2696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 133 GLU HA 137 PRO HA 6.00 (# 4017:20 Preassigned 2.42, 4.50 A) &rst ixpk= 4017, nxpk= 20, iat=2025,2104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 174 ALA HA 171 VAL HA 6.00 (# 4018:20 Preassigned 5.03, 5.37 A) &rst ixpk= 4018, nxpk= 20, iat=2657,2605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 137 PRO HD2 137 PRO HA 6.00 (# 4019:20 Preassigned 3.51, 3.67 A) &rst ixpk= 4019, nxpk= 20, iat=2095,2104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 133 GLU QG 137 PRO HA 6.00 (# 4026:20 Double 0.00, 0.00) &rst ixpk= 4026, nxpk= 20, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2030,2031, &end # # 109 VAL HB 106 ILE HA 4.50 (# 4027:20 Preassigned 2.53, 2.91 A) &rst ixpk= 4027, nxpk= 20, iat=1658,1606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE HB 173 VAL HA 3.50 (# 4031:20 Preassigned 2.73, 2.86 A) &rst ixpk= 4031, nxpk= 20, iat=2679,2641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 173 VAL HB 173 VAL HA 4.50 (# 4033:20 Preassigned 2.93, 2.97 A) &rst ixpk= 4033, nxpk= 20, iat=2643,2641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 174 ALA QB 171 VAL HA 4.50 (# 4036:20 Preassigned 2.10, 3.56 A) &rst ixpk= 4036, nxpk= 20, iat= -1,2605, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2659,2660,2661, &end # # 137 PRO HD3 137 PRO HA 6.00 (# 4043:20 Preassigned 2.29, 2.94 A) &rst ixpk= 4043, nxpk= 20, iat=2096,2104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 110 PHE HB2 107 ILE HA 4.50 (# 4044:20 Preassigned 3.13, 3.82 A) &rst ixpk= 4044, nxpk= 20, iat=1674,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB3 107 ILE HA 4.50 (# 4047:20 Preassigned 2.09, 2.61 A) &rst ixpk= 4047, nxpk= 20, iat=1675,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HB2 137 PRO HA 4.50 (# 4049:20 Preassigned 2.35, 2.76 A) &rst ixpk= 4049, nxpk= 20, iat=2101,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 149 VAL HB 149 VAL HA 4.50 (# 4050:20 Preassigned 2.97, 3.01 A) &rst ixpk= 4050, nxpk= 20, iat=2271,2269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HB3 137 PRO HA 4.50 (# 4053:20 Preassigned 2.32, 2.63 A) &rst ixpk= 4053, nxpk= 20, iat=2102,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 152 LEU HB2 149 VAL HA 4.50 (# 4054:20 Preassigned 2.50, 3.73 A) &rst ixpk= 4054, nxpk= 20, iat=2321,2269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HB2 137 PRO HA 4.50 (# 4055:20 Preassigned 3.75, 5.28 A) &rst ixpk= 4055, nxpk= 20, iat=2139,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 ILE HB 107 ILE HA 3.50 (# 4056:20 Preassigned 2.99, 3.00 A) &rst ixpk= 4056, nxpk= 20, iat=1627,1625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 LEU HG 149 VAL HA 4.50 (# 4057:20 Preassigned 2.69, 4.01 A) &rst ixpk= 4057, nxpk= 20, iat=2324,2269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET HG2 149 VAL HA 6.00 (# 4063:20 Double 0.00, 0.00) &rst ixpk= 4063, nxpk= 20, iat=2013,2269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 117 GLU HB3 119 SER HB3 4.50 (# 4075:20 Double 0.00, 0.00) &rst ixpk= 4075, nxpk= 20, iat=1780,1802, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 119 SER HA 119 SER HB2 3.50 (# 4079:20 Preassigned 2.48, 2.91 A) &rst ixpk= 4079, nxpk= 20, iat=1799,1801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 SER HA 116 SER QB 3.50 (# 4080:20 Preassigned 2.35, 2.70 A) &rst ixpk= 4080, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1768,1769, &end # # 145 ASP HB3 142 SER QB 6.00 (# 4091:20 Preassigned 4.74, 6.64 A) &rst ixpk= 4091, nxpk= 20, iat=2216, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2175,2176, &end # # 117 GLU HB2 116 SER QB 4.50 (# 4097:20 Preassigned 3.64, 5.44 A) &rst ixpk= 4097, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1768,1769, &end # # 121 GLN HB3 114 SER HB2 6.00 (# 4098:20 Double 0.00, 0.00) &rst ixpk= 4098, nxpk= 20, iat=1827,1750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 117 GLU HB3 116 SER QB 4.50 (# 4099:20 Double 0.00, 0.00) &rst ixpk= 4099, nxpk= 20, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1768,1769, &end # # 114 SER HA 114 SER HB2 4.50 (# 4105:20 Preassigned 2.26, 2.51 A) &rst ixpk= 4105, nxpk= 20, iat=1748,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 SER HA 114 SER HB3 6.00 (# 4106:20 Preassigned 2.48, 2.80 A) &rst ixpk= 4106, nxpk= 20, iat=1748,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 114 SER HA 110 PHE HA 4.50 (# 4107:20 Double 0.00, 0.00) &rst ixpk= 4107, nxpk= 20, iat=1748,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 119 SER HB2 114 SER HB2 4.50 (# 4108:20 Preassigned 3.85, 5.26 A) &rst ixpk= 4108, nxpk= 20, iat=1801,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 166 PHE QB 114 SER HB2 6.00 (# 4124:20 Unique 3.97, 6.97 A) &rst ixpk= 4124, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2522,2523, &end # # 121 GLN QG 114 SER HB2 6.00 (# 4125:20 Preassigned 2.58, 4.37 A) &rst ixpk= 4125, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1829,1830, &end # # 110 PHE HB2 110 PHE HA 4.50 (# 4139:20 Preassigned 2.38, 2.69 A) &rst ixpk= 4139, nxpk= 20, iat=1674,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB3 110 PHE HA 4.50 (# 4140:20 Preassigned 2.26, 2.79 A) &rst ixpk= 4140, nxpk= 20, iat=1675,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB3 170 ILE HA 6.00 (# 4142:20 Preassigned 6.16, 6.54 A) &rst ixpk= 4142, nxpk= 20, iat=1675,2586, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 113 TYR HB3 110 PHE HA 6.00 (# 4145:20 Preassigned 2.15, 3.77 A) &rst ixpk= 4145, nxpk= 20, iat=1730,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 176 ILE HB 176 ILE HA 4.50 (# 4147:20 Preassigned 2.97, 3.02 A) &rst ixpk= 4147, nxpk= 20, iat=2679,2677, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HB2 110 PHE HA 6.00 (# 4148:20 Preassigned 4.55, 4.98 A) &rst ixpk= 4148, nxpk= 20, iat=1705,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 173 VAL HB 170 ILE HA 4.50 (# 4150:20 Preassigned 2.12, 2.56 A) &rst ixpk= 4150, nxpk= 20, iat=2643,2586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE HB 170 ILE HA 4.50 (# 4152:20 Preassigned 2.47, 2.58 A) &rst ixpk= 4152, nxpk= 20, iat=2588,2586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 179 ALA QB 176 ILE HA 3.50 (# 4153:20 Preassigned 2.12, 3.17 A) &rst ixpk= 4153, nxpk= 20, iat= -1,2677, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2723,2724,2725, &end # # 166 PHE QB 166 PHE HA 4.50 (# 4163:20 Preassigned 2.25, 2.43 A) &rst ixpk= 4163, nxpk= 20, iat= -1,2520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2522,2523, &end # # 184 PHE QB 187 THR HA 6.00 (# 4164:20 Unique 2.27, 5.23 A) &rst ixpk= 4164, nxpk= 20, iat= -1,2859, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2804,2805, &end # # 121 GLN QG 120 THR HA 6.00 (# 4166:20 Preassigned 3.13, 4.88 A) &rst ixpk= 4166, nxpk= 20, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1829,1830, &end # # 186 LYS QD 187 THR HA 6.00 (# 4172:20 Double 0.00, 0.00) &rst ixpk= 4172, nxpk= 20, iat= -1,2859, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2845,2846, &end # # 170 ILE HB 166 PHE HA 6.00 (# 4173:20 Preassigned 4.55, 4.86 A) &rst ixpk= 4173, nxpk= 20, iat=2588,2520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 172 PHE HB2 172 PHE HA 3.50 (# 4176:20 Preassigned 2.21, 2.55 A) &rst ixpk= 4176, nxpk= 20, iat=2623,2621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 172 PHE HB3 172 PHE HA 3.50 (# 4178:20 Preassigned 2.28, 2.72 A) &rst ixpk= 4178, nxpk= 20, iat=2624,2621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 LEU HB2 125 LYS HA 3.50 (# 4182:20 Preassigned 2.26, 3.23 A) &rst ixpk= 4182, nxpk= 20, iat=1934,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 125 LYS HB3 125 LYS HA 3.50 (# 4185:20 Preassigned 2.51, 2.94 A) &rst ixpk= 4185, nxpk= 20, iat=1891,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 125 LYS QG 125 LYS HA 3.50 (# 4186:20 Preassigned 2.42, 2.79 A) &rst ixpk= 4186, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1893,1894, &end # # 175 ALA QB 172 PHE HA 3.50 (# 4187:20 Preassigned 3.08, 4.25 A) &rst ixpk= 4187, nxpk= 20, iat= -1,2621, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2669,2670,2671, &end # # 169 PHE HB2 169 PHE HA 3.50 (# 4189:20 Preassigned 2.32, 2.41 A) &rst ixpk= 4189, nxpk= 20, iat=2568,2566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HB3 169 PHE HA 3.50 (# 4190:20 Preassigned 3.01, 3.03 A) &rst ixpk= 4190, nxpk= 20, iat=2569,2566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN HG3 124 THR HA 6.00 (# 4194:20 Preassigned 2.72, 3.51 A) &rst ixpk= 4194, nxpk= 20, iat=2481,1874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 125 LYS QG 124 THR HA 6.00 (# 4195:20 Preassigned 6.30, 6.58 A) &rst ixpk= 4195, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1893,1894, &end # # 122 THR QG 122 THR HB 4.50 (# 4218:20 Preassigned 2.33, 2.66 A) &rst ixpk= 4218, nxpk= 20, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 187 THR QG 187 THR HB 3.50 (# 4229:20 Preassigned 2.33, 2.65 A) &rst ixpk= 4229, nxpk= 20, iat= -1,2861, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2863,2864,2865, &end # # 120 THR QG 120 THR HB 3.50 (# 4232:20 Preassigned 2.36, 2.66 A) &rst ixpk= 4232, nxpk= 20, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1814,1815,1816, &end # # 177 THR QG 177 THR HB 4.50 (# 4241:20 Preassigned 2.23, 2.64 A) &rst ixpk= 4241, nxpk= 20, iat= -1,2698, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2700,2701,2702, &end # # 109 VAL QQG 109 VAL HA 3.50 (# 4245:20 Preassigned 2.21, 3.24 A) &rst ixpk= 4245, nxpk= 20, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1660,1661,1662,1664,1665,1666, &end # # 171 VAL QG1 171 VAL HA 3.50 (# 4250:20 Preassigned 2.33, 3.03 A) &rst ixpk= 4250, nxpk= 20, iat= -1,2605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2609,2610,2611, &end # # 171 VAL QG2 171 VAL HA 3.50 (# 4252:20 Preassigned 2.41, 3.26 A) &rst ixpk= 4252, nxpk= 20, iat= -1,2605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2613,2614,2615, &end # # 173 VAL QG2 173 VAL HA 3.50 (# 4253:20 Preassigned 2.13, 2.83 A) &rst ixpk= 4253, nxpk= 20, iat= -1,2641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2649,2650,2651, &end # # 149 VAL QG1 149 VAL HA 3.50 (# 4258:20 Preassigned 2.48, 3.27 A) &rst ixpk= 4258, nxpk= 20, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2273,2274,2275, &end # # 140 LEU QQD 137 PRO HA 4.50 (# 4259:20 Preassigned 3.68, 6.55 A) &rst ixpk= 4259, nxpk= 20, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2144,2145,2146,2148,2149,2150, &end # # 177 THR QG 177 THR HA 3.50 (# 4260:20 Preassigned 2.53, 3.35 A) &rst ixpk= 4260, nxpk= 20, iat= -1,2696, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2700,2701,2702, &end # # 107 ILE QG2 107 ILE HA 3.50 (# 4261:20 Preassigned 2.75, 3.47 A) &rst ixpk= 4261, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1629,1630,1631, &end # # 170 ILE QG2 107 ILE HA 4.50 (# 4262:20 Double 0.00, 0.00) &rst ixpk= 4262, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2590,2591,2592, &end # # 124 THR QG 119 SER HB3 4.50 (# 4277:20 Double 0.00, 0.00) &rst ixpk= 4277, nxpk= 20, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1878,1879,1880, &end # # 122 THR QG 119 SER HB3 3.50 (# 4278:20 Unique 2.57, 5.17 A) &rst ixpk= 4278, nxpk= 20, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1845,1846,1847, &end # # 122 THR QG 119 SER HB2 4.50 (# 4279:20 Double 0.00, 0.00) &rst ixpk= 4279, nxpk= 20, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 149 VAL QG2 142 SER QB 4.50 (# 4282:20 Double 0.00, 0.00) &rst ixpk= 4282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2277,2278,2279, igr2=2175,2176, &end # # 176 ILE QD 176 ILE HA 3.50 (# 4286:20 Double 0.00, 0.00) &rst ixpk= 4286, nxpk= 20, iat= -1,2677, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2688,2689,2690, &end # # 123 LEU QQD 114 SER HB2 4.50 (# 4288:20 Preassigned 3.13, 5.85 A) &rst ixpk= 4288, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 123 LEU QQD 114 SER HB3 4.50 (# 4289:20 Preassigned 2.82, 5.83 A) &rst ixpk= 4289, nxpk= 20, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 109 VAL QQG 110 PHE HA 4.50 (# 4290:20 Preassigned 3.59, 5.85 A) &rst ixpk= 4290, nxpk= 20, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1660,1661,1662,1664,1665,1666, &end # # 106 ILE QG1 170 ILE HA 6.00 (# 4291:20 Double 0.00, 0.00) &rst ixpk= 4291, nxpk= 20, iat= -1,2586, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1614,1615, &end # # 176 ILE QG2 176 ILE HA 3.50 (# 4292:20 Double 0.00, 0.00) &rst ixpk= 4292, nxpk= 20, iat= -1,2677, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2681,2682,2683, &end # # 170 ILE QG1 170 ILE HA 4.50 (# 4293:20 Preassigned 2.12, 3.15 A) &rst ixpk= 4293, nxpk= 20, iat= -1,2586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2594,2595, &end # # 131 LEU QD2 110 PHE HA 4.50 (# 4294:20 Preassigned 2.40, 5.11 A) &rst ixpk= 4294, nxpk= 20, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2000,2001,2002, &end # # 170 ILE QD 170 ILE HA 3.50 (# 4295:20 Preassigned 3.46, 4.63 A) &rst ixpk= 4295, nxpk= 20, iat= -1,2586, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2597,2598,2599, &end # # 120 THR QG 120 THR HA 4.50 (# 4298:20 Preassigned 2.48, 3.34 A) &rst ixpk= 4298, nxpk= 20, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1814,1815,1816, &end # # 164 VAL QG1 166 PHE HA 6.00 (# 4300:20 Double 0.00, 0.00) &rst ixpk= 4300, nxpk= 20, iat= -1,2520, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2496,2497,2498, &end # # 187 THR QG 187 THR HA 4.50 (# 4301:20 Preassigned 2.36, 3.61 A) &rst ixpk= 4301, nxpk= 20, iat= -1,2859, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2863,2864,2865, &end # # 170 ILE QG2 166 PHE HA 6.00 (# 4305:20 Preassigned 5.26, 6.59 A) &rst ixpk= 4305, nxpk= 20, iat= -1,2520, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2590,2591,2592, &end # # 123 LEU QQD 166 PHE HA 6.00 (# 4306:20 Preassigned 5.26, 6.87 A) &rst ixpk= 4306, nxpk= 20, iat= -1,2520, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1862,1863,1864,1866,1867,1868, &end # # 153 LEU QD1 125 LYS HA 3.50 (# 4309:20 Preassigned 4.62, 6.00 A) &rst ixpk= 4309, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2345,2346,2347, &end # # 176 ILE QD 172 PHE HA 3.50 (# 4312:20 Double 0.00, 0.00) &rst ixpk= 4312, nxpk= 20, iat= -1,2621, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2688,2689,2690, &end # # 128 LEU QD2 125 LYS HA 3.50 (# 4313:20 Double 0.00, 0.00) &rst ixpk= 4313, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1943,1944,1945, &end # # 128 LEU QD2 125 LYS HA 3.50 (# 4314:20 Preassigned 2.25, 3.25 A) &rst ixpk= 4314, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1943,1944,1945, &end # # 124 THR QG 124 THR HA 4.50 (# 4315:20 Preassigned 3.79, 3.97 A) &rst ixpk= 4315, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1878,1879,1880, &end # # 164 VAL QG1 169 PHE HA 3.50 (# 4317:20 Preassigned 4.71, 6.44 A) &rst ixpk= 4317, nxpk= 20, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2496,2497,2498, &end # # 164 VAL QG2 169 PHE HA 4.50 (# 4319:20 Preassigned 4.48, 5.38 A) &rst ixpk= 4319, nxpk= 20, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2500,2501,2502, &end # # 113 TYR HN 113 TYR HA 6.00 (# 4372:20 Preassigned 2.48, 2.70 A) &rst ixpk= 4372, nxpk= 20, iat=1725,1727, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 110 PHE QE 169 PHE HA 4.50 (# 4373:20 Preassigned 4.05, 4.56 A) &rst ixpk= 4373, nxpk= 20, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1680,1684, &end # # 110 PHE QE 122 THR HA 6.00 (# 4381:20 Preassigned 3.39, 4.60 A) &rst ixpk= 4381, nxpk= 20, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1680,1684, &end # # 110 PHE HZ 122 THR HA 6.00 (# 4384:20 Preassigned 1.96, 3.31 A) &rst ixpk= 4384, nxpk= 20, iat=1682,1841, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 110 PHE QE 165 ASP HA 6.00 (# 4504:20 Preassigned 3.53, 4.76 A) &rst ixpk= 4504, nxpk= 20, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1680,1684, &end # # 110 PHE HZ 165 ASP HA 6.00 (# 4505:20 Preassigned 2.36, 3.58 A) &rst ixpk= 4505, nxpk= 20, iat=1682,2508, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 135 GLU HA 137 PRO HD2 6.00 (# 4512:20 Preassigned 2.41, 3.85 A) &rst ixpk= 4512, nxpk= 20, iat=2062,2095, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 135 GLU HA 137 PRO HD3 6.00 (# 4513:20 Preassigned 2.88, 3.81 A) &rst ixpk= 4513, nxpk= 20, iat=2062,2096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 123 LEU HA 123 LEU HB2 6.00 (# 4526:20 Preassigned 2.57, 2.84 A) &rst ixpk= 4526, nxpk= 20, iat=1855,1857, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 123 LEU HA 123 LEU HB3 4.50 (# 4527:20 Preassigned 2.16, 2.35 A) &rst ixpk= 4527, nxpk= 20, iat=1855,1858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 139 PHE QB 132 MET HA 4.50 (# 4553:20 Double 0.00, 0.00) &rst ixpk= 4553, nxpk= 20, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2119,2120, &end # # 113 TYR HB2 113 TYR HA 3.50 (# 4554:20 Preassigned 2.35, 2.66 A) &rst ixpk= 4554, nxpk= 20, iat=1729,1727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 MET HG2 132 MET HA 4.50 (# 4555:20 Preassigned 2.15, 3.11 A) &rst ixpk= 4555, nxpk= 20, iat=2013,2008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET HG2 129 LYS HA 3.50 (# 4556:20 Preassigned 2.17, 2.85 A) &rst ixpk= 4556, nxpk= 20, iat=2013,1951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 TYR HB3 113 TYR HA 3.50 (# 4558:20 Preassigned 2.38, 2.71 A) &rst ixpk= 4558, nxpk= 20, iat=1730,1727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 GLN HG2 124 THR HA 6.00 (# 4559:20 Preassigned 2.20, 2.39 A) &rst ixpk= 4559, nxpk= 20, iat=2480,1874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 132 MET HG3 132 MET HA 3.50 (# 4560:20 Preassigned 2.63, 3.66 A) &rst ixpk= 4560, nxpk= 20, iat=2014,2008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 98 GLU QB 98 GLU HA 3.50 (# 4561:20 Preassigned 2.26, 2.65 A) &rst ixpk= 4561, nxpk= 20, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1498,1499, &end # # 163 GLN QB 124 THR HA 6.00 (# 4562:20 Preassigned 4.21, 4.65 A) &rst ixpk= 4562, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2477,2478, &end # # 132 MET QB 132 MET HA 3.50 (# 4563:20 Preassigned 2.23, 2.62 A) &rst ixpk= 4563, nxpk= 20, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2010,2011, &end # # 129 LYS HG2 129 LYS HA 3.50 (# 4564:20 Preassigned 2.63, 3.22 A) &rst ixpk= 4564, nxpk= 20, iat=1956,1951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 122 THR HB 122 THR HA 4.50 (# 4565:20 Preassigned 2.27, 2.40 A) &rst ixpk= 4565, nxpk= 20, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 GLY HA2 100 GLU HA 6.00 (# 4568:20 Preassigned 4.51, 5.26 A) &rst ixpk= 4568, nxpk= 20, iat=1582,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 114 SER HB2 122 THR HA 6.00 (# 4572:20 Preassigned 4.41, 5.05 A) &rst ixpk= 4572, nxpk= 20, iat=1750,1841, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 151 LYS HE2 151 LYS HA 4.50 (# 4574:20 Preassigned 5.12, 6.31 A) &rst ixpk= 4574, nxpk= 20, iat=2308,2297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 165 ASP HB3 122 THR HA 6.00 (# 4578:20 Preassigned 4.29, 4.85 A) &rst ixpk= 4578, nxpk= 20, iat=2511,1841, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 96 MET QG 100 GLU HA 4.50 (# 4580:20 Preassigned 2.24, 3.08 A) &rst ixpk= 4580, nxpk= 20, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1470,1471, &end # # 100 GLU HB2 100 GLU HA 3.50 (# 4581:20 Preassigned 2.76, 3.36 A) &rst ixpk= 4581, nxpk= 20, iat=1532,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS QB 151 LYS HA 3.50 (# 4583:20 Preassigned 2.05, 3.20 A) &rst ixpk= 4583, nxpk= 20, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2359,2360, &end # # 100 GLU HB3 100 GLU HA 3.50 (# 4584:20 Preassigned 2.36, 2.51 A) &rst ixpk= 4584, nxpk= 20, iat=1533,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 151 LYS QD 151 LYS HA 3.50 (# 4586:20 Preassigned 2.23, 2.88 A) &rst ixpk= 4586, nxpk= 20, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2305,2306, &end # # 154 LYS HG3 151 LYS HA 3.50 (# 4587:20 Preassigned 2.52, 3.32 A) &rst ixpk= 4587, nxpk= 20, iat=2363,2297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 114 SER HB2 114 SER HA 3.50 (# 4592:20 Preassigned 2.26, 2.51 A) &rst ixpk= 4592, nxpk= 20, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 171 VAL HA 168 GLU HA 6.00 (# 4593:20 Preassigned 5.41, 5.72 A) &rst ixpk= 4593, nxpk= 20, iat=2605,2551, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 137 PRO HD3 133 GLU HA 4.50 (# 4594:20 Preassigned 4.11, 4.85 A) &rst ixpk= 4594, nxpk= 20, iat=2096,2025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 SER HB3 114 SER HA 3.50 (# 4599:20 Preassigned 2.48, 2.80 A) &rst ixpk= 4599, nxpk= 20, iat=1751,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 157 ASP QB 154 LYS HA 3.50 (# 4600:20 Preassigned 2.08, 3.33 A) &rst ixpk= 4600, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2412,2413, &end # # 133 GLU QG 133 GLU HA 3.50 (# 4601:20 Preassigned 2.00, 2.66 A) &rst ixpk= 4601, nxpk= 20, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2030,2031, &end # # 105 MET HG3 105 MET HA 3.50 (# 4602:20 Preassigned 3.20, 3.41 A) &rst ixpk= 4602, nxpk= 20, iat=1595,1589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HB2 133 GLU HA 3.50 (# 4603:20 Preassigned 2.95, 3.00 A) &rst ixpk= 4603, nxpk= 20, iat=2027,2025, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 MET HB3 100 GLU HA 3.50 (# 4604:20 Preassigned 1.94, 2.42 A) &rst ixpk= 4604, nxpk= 20, iat=1568,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HB3 168 GLU HA 3.50 (# 4605:20 Preassigned 2.20, 2.36 A) &rst ixpk= 4605, nxpk= 20, iat=2554,2551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS QB 154 LYS HA 3.50 (# 4606:20 Preassigned 2.42, 2.78 A) &rst ixpk= 4606, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2359,2360, &end # # 154 LYS HG2 154 LYS HA 3.50 (# 4607:20 Preassigned 2.29, 2.46 A) &rst ixpk= 4607, nxpk= 20, iat=2362,2357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS HG3 154 LYS HA 3.50 (# 4608:20 Preassigned 2.92, 3.49 A) &rst ixpk= 4608, nxpk= 20, iat=2363,2357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 SER QB 116 SER HA 3.50 (# 4609:20 Preassigned 2.35, 2.70 A) &rst ixpk= 4609, nxpk= 20, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1768,1769, &end # # 114 SER HB2 116 SER HA 6.00 (# 4610:20 Preassigned 3.35, 5.47 A) &rst ixpk= 4610, nxpk= 20, iat=1750,1766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 112 ARG HD2 112 ARG HA 4.50 (# 4611:20 Preassigned 3.96, 4.44 A) &rst ixpk= 4611, nxpk= 20, iat=1711,1703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU QG 127 GLU HA 3.50 (# 4612:20 Preassigned 2.42, 3.19 A) &rst ixpk= 4612, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1922,1923, &end # # 155 ASP HB2 152 LEU HA 3.50 (# 4617:20 Preassigned 2.24, 2.70 A) &rst ixpk= 4617, nxpk= 20, iat=2381,2319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HB2 150 ASP HA 3.50 (# 4618:20 Preassigned 3.02, 3.03 A) &rst ixpk= 4618, nxpk= 20, iat=2287,2285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS QB 134 LYS HA 3.50 (# 4621:20 Preassigned 2.40, 2.74 A) &rst ixpk= 4621, nxpk= 20, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2042,2043, &end # # 153 LEU HB2 153 LEU HA 3.50 (# 4622:20 Preassigned 2.44, 2.62 A) &rst ixpk= 4622, nxpk= 20, iat=2340,2338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 144 LYS QB 144 LYS HA 3.50 (# 4623:20 Preassigned 2.15, 2.55 A) &rst ixpk= 4623, nxpk= 20, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2193,2194, &end # # 134 LYS HG3 134 LYS HA 3.50 (# 4624:20 Preassigned 2.14, 2.78 A) &rst ixpk= 4624, nxpk= 20, iat=2046,2040, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 137 PRO HD3 134 LYS HA 4.50 (# 4628:20 Preassigned 3.46, 4.17 A) &rst ixpk= 4628, nxpk= 20, iat=2096,2040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 ASP HB2 153 LEU HA 4.50 (# 4630:20 Double 0.00, 0.00) &rst ixpk= 4630, nxpk= 20, iat=2381,2338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 ASP HB3 155 ASP HA 3.50 (# 4631:20 Preassigned 2.43, 2.49 A) &rst ixpk= 4631, nxpk= 20, iat=2382,2379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HB3 150 ASP HA 3.50 (# 4633:20 Preassigned 2.40, 2.53 A) &rst ixpk= 4633, nxpk= 20, iat=2288,2285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 185 GLU HG2 185 GLU HA 3.50 (# 4635:20 Preassigned 2.36, 3.00 A) &rst ixpk= 4635, nxpk= 20, iat=2827,2822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 LEU HB2 128 LEU HA 4.50 (# 4637:20 Preassigned 2.25, 2.49 A) &rst ixpk= 4637, nxpk= 20, iat=1934,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HB3 140 LEU HA 3.50 (# 4642:20 Preassigned 2.31, 2.54 A) &rst ixpk= 4642, nxpk= 20, iat=2140,2137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HB3 156 LEU HA 3.50 (# 4644:20 Preassigned 5.02, 5.41 A) &rst ixpk= 4644, nxpk= 20, iat=2394,2391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 158 ALA QB 155 ASP HA 4.50 (# 4647:20 Preassigned 4.16, 6.38 A) &rst ixpk= 4647, nxpk= 20, iat= -1,2379, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2424,2425,2426, &end # # 137 PRO HD2 134 LYS HA 4.50 (# 4650:20 Preassigned 4.67, 5.22 A) &rst ixpk= 4650, nxpk= 20, iat=2095,2040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 186 LYS HB2 186 LYS HA 3.50 (# 4655:20 Preassigned 2.30, 2.73 A) &rst ixpk= 4655, nxpk= 20, iat=2839,2837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 186 LYS QG 186 LYS HA 3.50 (# 4657:20 Preassigned 2.18, 3.28 A) &rst ixpk= 4657, nxpk= 20, iat= -1,2837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2842,2843, &end # # 119 SER HB2 117 GLU HA 4.50 (# 4658:20 Preassigned 5.41, 6.85 A) &rst ixpk= 4658, nxpk= 20, iat=1801,1777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 96 MET QB 96 MET HA 3.50 (# 4662:20 Preassigned 2.42, 2.78 A) &rst ixpk= 4662, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1467,1468, &end # # 117 GLU HB2 117 GLU HA 3.50 (# 4663:20 Preassigned 2.32, 2.52 A) &rst ixpk= 4663, nxpk= 20, iat=1779,1777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 GLU HB3 117 GLU HA 3.50 (# 4664:20 Preassigned 2.38, 2.45 A) &rst ixpk= 4664, nxpk= 20, iat=1780,1777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 135 GLU QG 135 GLU HA 6.00 (# 4675:20 Preassigned 2.24, 3.52 A) &rst ixpk= 4675, nxpk= 20, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2067,2068, &end # # 174 ALA QB 174 ALA HA 3.50 (# 4680:20 Preassigned 2.33, 2.63 A) &rst ixpk= 4680, nxpk= 20, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2659,2660,2661, &end # # 173 VAL HA 175 ALA HA 6.00 (# 4688:20 Preassigned 6.22, 6.35 A) &rst ixpk= 4688, nxpk= 20, iat=2641,2667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 151 LYS HE2 148 ALA HA 4.50 (# 4690:20 Preassigned 4.81, 5.19 A) &rst ixpk= 4690, nxpk= 20, iat=2308,2259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 ASP HB3 148 ALA HA 4.50 (# 4692:20 Double 0.00, 0.00) &rst ixpk= 4692, nxpk= 20, iat=2288,2259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LYS QB 148 ALA HA 3.50 (# 4700:20 Preassigned 2.05, 2.97 A) &rst ixpk= 4700, nxpk= 20, iat= -1,2259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2299,2300, &end # # 176 ILE HB 174 ALA HA 4.50 (# 4701:20 Preassigned 4.94, 5.57 A) &rst ixpk= 4701, nxpk= 20, iat=2679,2657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 102 ALA QB 102 ALA HA 3.50 (# 4702:20 Preassigned 2.21, 2.64 A) &rst ixpk= 4702, nxpk= 20, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1557,1558,1559, &end # # 189 LEU QB 189 LEU HA 3.50 (# 4703:20 Preassigned 2.24, 2.53 A) &rst ixpk= 4703, nxpk= 20, iat= -1,2880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2882,2883, &end # # 101 ALA QB 101 ALA HA 3.50 (# 4704:20 Preassigned 2.26, 2.64 A) &rst ixpk= 4704, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1547,1548,1549, &end # # 175 ALA QB 175 ALA HA 3.50 (# 4705:20 Preassigned 2.41, 2.66 A) &rst ixpk= 4705, nxpk= 20, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2669,2670,2671, &end # # 96 MET QG 101 ALA HA 4.50 (# 4728:20 Preassigned 2.68, 3.51 A) &rst ixpk= 4728, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1470,1471, &end # # 176 ILE HA 179 ALA HA 4.50 (# 4761:20 Preassigned 4.62, 4.90 A) &rst ixpk= 4761, nxpk= 20, iat=2677,2721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 158 ALA QB 158 ALA HA 3.50 (# 4764:20 Preassigned 2.42, 2.66 A) &rst ixpk= 4764, nxpk= 20, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2424,2425,2426, &end # # 153 LEU HA 162 ALA HA 4.50 (# 4767:20 Double 0.00, 0.00) &rst ixpk= 4767, nxpk= 20, iat=2338,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 181 HIS HB3 179 ALA HA 6.00 (# 4769:20 Double 0.00, 0.00) &rst ixpk= 4769, nxpk= 20, iat=2745,2721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 157 ASP QB 162 ALA HA 4.50 (# 4770:20 Double 0.00, 0.00) &rst ixpk= 4770, nxpk= 20, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2412,2413, &end # # 163 GLN HG3 162 ALA HA 6.00 (# 4771:20 Preassigned 5.42, 5.87 A) &rst ixpk= 4771, nxpk= 20, iat=2481,2465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 153 LEU HG 162 ALA HA 4.50 (# 4773:20 Single 0.00, 0.00) &rst ixpk= 4773, nxpk= 20, iat=2343,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 162 ALA QB 162 ALA HA 3.50 (# 4776:20 Preassigned 2.43, 2.67 A) &rst ixpk= 4776, nxpk= 20, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2467,2468,2469, &end # # 159 ASN HB2 159 ASN HA 4.50 (# 4782:20 Preassigned 2.18, 2.41 A) &rst ixpk= 4782, nxpk= 20, iat=2434,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 159 ASN HB3 159 ASN HA 4.50 (# 4784:20 Preassigned 2.31, 2.60 A) &rst ixpk= 4784, nxpk= 20, iat=2435,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN HG2 162 ALA HA 6.00 (# 4787:20 Preassigned 5.81, 6.20 A) &rst ixpk= 4787, nxpk= 20, iat=2480,2465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 168 GLU HB2 165 ASP HA 6.00 (# 4788:20 Preassigned 4.68, 5.28 A) &rst ixpk= 4788, nxpk= 20, iat=2553,2508, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 165 ASP HB2 165 ASP HA 4.50 (# 4796:20 Preassigned 2.41, 2.90 A) &rst ixpk= 4796, nxpk= 20, iat=2510,2508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 165 ASP HB3 165 ASP HA 4.50 (# 4798:20 Preassigned 2.41, 2.67 A) &rst ixpk= 4798, nxpk= 20, iat=2511,2508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HA 137 PRO HD3 6.00 (# 4811:20 Preassigned 2.29, 2.94 A) &rst ixpk= 4811, nxpk= 20, iat=2104,2096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 137 PRO QG 137 PRO HD2 4.50 (# 4818:20 Preassigned 2.26, 2.61 A) &rst ixpk= 4818, nxpk= 20, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2098,2099, &end # # 137 PRO HB2 137 PRO HD3 4.50 (# 4819:20 Preassigned 3.77, 3.85 A) &rst ixpk= 4819, nxpk= 20, iat=2101,2096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HB3 137 PRO HD2 4.50 (# 4820:20 Preassigned 3.24, 3.67 A) &rst ixpk= 4820, nxpk= 20, iat=2102,2095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 137 PRO HB3 137 PRO HD3 4.50 (# 4821:20 Preassigned 3.31, 3.84 A) &rst ixpk= 4821, nxpk= 20, iat=2102,2096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HG 137 PRO HD3 6.00 (# 4824:20 Preassigned 6.18, 6.64 A) &rst ixpk= 4824, nxpk= 20, iat=2142,2096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 107 ILE HB 104 GLY HA3 4.50 (# 4858:20 Preassigned 2.39, 3.40 A) &rst ixpk= 4858, nxpk= 20, iat=1627,1583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 141 GLN QB 138 GLY QA 4.50 (# 4865:20 Double 0.00, 0.00) &rst ixpk= 4865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2158,2159, igr2=2110,2111, &end # # 140 LEU HB2 138 GLY QA 3.50 (# 4866:20 Double 0.00, 0.00) &rst ixpk= 4866, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2110,2111, &end # # 125 LYS QG 126 GLY QA 4.50 (# 4869:20 Preassigned 3.45, 4.96 A) &rst ixpk= 4869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1893,1894, igr2=1910,1911, &end # # 140 LEU HG 138 GLY QA 4.50 (# 4870:20 Double 0.00, 0.00) &rst ixpk= 4870, nxpk= 20, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2110,2111, &end # # 129 LYS HB2 126 GLY QA 4.50 (# 4877:20 Preassigned 3.16, 5.49 A) &rst ixpk= 4877, nxpk= 20, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1910,1911, &end # # 114 SER HB3 118 GLY HA3 6.00 (# 4888:20 Preassigned 3.76, 5.78 A) &rst ixpk= 4888, nxpk= 20, iat=1751,1793, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 137 PRO HB3 138 GLY QA 4.50 (# 4894:20 Preassigned 4.39, 6.31 A) &rst ixpk= 4894, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2110,2111, &end # # 112 ARG HB2 115 GLY QA 4.50 (# 4895:20 Preassigned 3.87, 5.69 A) &rst ixpk= 4895, nxpk= 20, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1759,1760, &end # # 140 LEU HB2 143 GLY QA 6.00 (# 4898:20 Double 0.00, 0.00) &rst ixpk= 4898, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2184,2185, &end # # 112 ARG HG2 115 GLY QA 6.00 (# 4899:20 Preassigned 5.59, 6.91 A) &rst ixpk= 4899, nxpk= 20, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1759,1760, &end # # 140 LEU HG 143 GLY QA 4.50 (# 4901:20 Preassigned 4.47, 4.88 A) &rst ixpk= 4901, nxpk= 20, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2184,2185, &end # # 112 ARG HG3 115 GLY QA 6.00 (# 4902:20 Preassigned 5.67, 6.83 A) &rst ixpk= 4902, nxpk= 20, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1759,1760, &end # # 120 THR HA 118 GLY HA2 6.00 (# 4904:20 Preassigned 2.16, 4.33 A) &rst ixpk= 4904, nxpk= 20, iat=1810,1792, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 184 PHE HA 188 GLY QA 4.50 (# 4913:20 Double 0.00, 0.00) &rst ixpk= 4913, nxpk= 20, iat=2802, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2873,2874, &end # # 139 PHE QB 143 GLY QA 6.00 (# 4914:20 Preassigned 4.10, 6.86 A) &rst ixpk= 4914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=2119,2120, igr2=2184,2185, &end # # 184 PHE QB 188 GLY QA 6.00 (# 4923:20 Double 0.00, 0.00) &rst ixpk= 4923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=2804,2805, igr2=2873,2874, &end # # 127 GLU QG 123 LEU HB2 6.00 (# 4925:20 Preassigned 2.44, 4.59 A) &rst ixpk= 4925, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1922,1923, &end # # 127 GLU QG 123 LEU HB3 6.00 (# 4926:20 Preassigned 2.22, 3.60 A) &rst ixpk= 4926, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1922,1923, &end # # 121 GLN HB2 118 GLY HA2 6.00 (# 4927:20 Preassigned 4.94, 6.21 A) &rst ixpk= 4927, nxpk= 20, iat=1826,1792, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 128 LEU HB2 123 LEU HB2 6.00 (# 4928:20 Preassigned 2.48, 3.46 A) &rst ixpk= 4928, nxpk= 20, iat=1934,1857, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 128 LEU HB2 123 LEU HB3 6.00 (# 4929:20 Preassigned 2.15, 3.62 A) &rst ixpk= 4929, nxpk= 20, iat=1934,1858, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 127 GLU QB 123 LEU HB3 6.00 (# 4931:20 Preassigned 2.29, 4.20 A) &rst ixpk= 4931, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1919,1920, &end # # 135 GLU QG 112 ARG HD2 6.00 (# 4952:20 Unique 4.10, 6.29 A) &rst ixpk= 4952, nxpk= 20, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2067,2068, &end # # 109 VAL HB 112 ARG HD3 6.00 (# 4953:20 Unique 3.21, 5.96 A) &rst ixpk= 4953, nxpk= 20, iat=1658,1712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 112 ARG HG2 112 ARG HD2 4.50 (# 4956:20 Preassigned 2.23, 2.72 A) &rst ixpk= 4956, nxpk= 20, iat=1708,1711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HG2 112 ARG HD3 4.50 (# 4957:20 Preassigned 2.32, 2.67 A) &rst ixpk= 4957, nxpk= 20, iat=1708,1712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HG3 112 ARG HD2 4.50 (# 4958:20 Preassigned 2.26, 2.64 A) &rst ixpk= 4958, nxpk= 20, iat=1709,1711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 ARG HG3 112 ARG HD3 4.50 (# 4959:20 Preassigned 2.36, 2.83 A) &rst ixpk= 4959, nxpk= 20, iat=1709,1712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 189 LEU HA 189 LEU QB 4.50 (# 4985:20 Preassigned 2.24, 2.53 A) &rst ixpk= 4985, nxpk= 20, iat=2880, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2882,2883, &end # # 134 LYS QD 134 LYS QE 3.50 (# 4990:20 Preassigned 2.34, 2.62 A) &rst ixpk= 4990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2048,2049, igr2=2051,2052, &end # # 153 LEU QD1 124 THR HA 6.00 (# 4994:20 Preassigned 4.20, 5.74 A) &rst ixpk= 4994, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2345,2346,2347, &end # # 136 LEU QD1 132 MET HA 3.50 (# 4995:20 Preassigned 5.38, 6.96 A) &rst ixpk= 4995, nxpk= 20, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2084,2085,2086, &end # # 140 LEU QQD 132 MET HA 3.50 (# 4997:20 Preassigned 5.38, 6.96 A) &rst ixpk= 4997, nxpk= 20, iat= -1,2008, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 131 LEU HG 132 MET HA 3.50 (# 4998:20 Double 0.00, 0.00) &rst ixpk= 4998, nxpk= 20, iat=1994,2008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 122 THR QG 122 THR HA 4.50 (# 4999:20 Preassigned 2.43, 3.24 A) &rst ixpk= 4999, nxpk= 20, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 123 LEU QQD 122 THR HA 6.00 (# 5002:20 Preassigned 3.76, 5.83 A) &rst ixpk= 5002, nxpk= 20, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1862,1863,1864,1866,1867,1868, &end # # 100 GLU HG3 100 GLU HA 3.50 (# 5005:20 Preassigned 2.40, 3.14 A) &rst ixpk= 5005, nxpk= 20, iat=1536,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 122 THR QG 119 SER HA 6.00 (# 5006:20 Double 0.00, 0.00) &rst ixpk= 5006, nxpk= 20, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1845,1846,1847, &end # # 140 LEU QQD 133 GLU HA 3.50 (# 5007:20 0.00, 0.00) &rst ixpk= 5007, nxpk= 20, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 123 LEU QQD 114 SER HA 3.50 (# 5009:20 Preassigned 3.91, 6.23 A) &rst ixpk= 5009, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1862,1863,1864,1866,1867,1868, &end # # 120 THR QG 119 SER HA 6.00 (# 5010:20 Preassigned 4.93, 6.65 A) &rst ixpk= 5010, nxpk= 20, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1814,1815,1816, &end # # 124 THR QG 127 GLU HA 3.50 (# 5013:20 Double 0.00, 0.00) &rst ixpk= 5013, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1878,1879,1880, &end # # 149 VAL QG1 150 ASP HA 3.50 (# 5014:20 Preassigned 3.28, 4.67 A) &rst ixpk= 5014, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2273,2274,2275, &end # # 153 LEU QD1 153 LEU HA 3.50 (# 5015:20 Preassigned 2.13, 3.48 A) &rst ixpk= 5015, nxpk= 20, iat= -1,2338, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2345,2346,2347, &end # # 152 LEU QQD 152 LEU HA 3.50 (# 5016:20 Preassigned 1.99, 3.83 A) &rst ixpk= 5016, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2326,2327,2328,2330,2331,2332, &end # # 107 ILE QG2 108 ASP HA 6.00 (# 5017:20 Unique 3.53, 4.77 A) &rst ixpk= 5017, nxpk= 20, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1629,1630,1631, &end # # 131 LEU HB3 128 LEU HA 3.50 (# 5018:20 Preassigned 2.81, 3.40 A) &rst ixpk= 5018, nxpk= 20, iat=1992,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 140 LEU QQD 140 LEU HA 3.50 (# 5019:20 Preassigned 2.15, 3.90 A) &rst ixpk= 5019, nxpk= 20, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 128 LEU QQD 128 LEU HA 3.50 (# 5020:20 Preassigned 4.10, 4.73 A) &rst ixpk= 5020, nxpk= 20, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1939,1940,1941,1943,1944,1945, &end # # 156 LEU QD2 156 LEU HA 3.50 (# 5021:20 Preassigned 3.20, 4.35 A) &rst ixpk= 5021, nxpk= 20, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2402,2403,2404, &end # # 100 GLU HG3 96 MET HA 4.50 (# 5028:20 Preassigned 3.56, 4.19 A) &rst ixpk= 5028, nxpk= 20, iat=1536,1465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 177 THR QG 174 ALA HA 3.50 (# 5031:20 Preassigned 3.35, 4.46 A) &rst ixpk= 5031, nxpk= 20, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2700,2701,2702, &end # # 189 LEU QD1 189 LEU HA 4.50 (# 5035:20 Preassigned 2.37, 4.05 A) &rst ixpk= 5035, nxpk= 20, iat= -1,2880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2887,2888,2889, &end # # 177 THR QG 175 ALA HA 3.50 (# 5037:20 Double 0.00, 0.00) &rst ixpk= 5037, nxpk= 20, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2700,2701,2702, &end # # 153 LEU QD1 162 ALA HA 4.50 (# 5044:20 Double 0.00, 0.00) &rst ixpk= 5044, nxpk= 20, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2345,2346,2347, &end # # 153 LEU QD1 162 ALA HA 4.50 (# 5051:20 Double 0.00, 0.00) &rst ixpk= 5051, nxpk= 20, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2345,2346,2347, &end # # 122 THR QG 165 ASP HA 4.50 (# 5055:20 Preassigned 2.47, 4.03 A) &rst ixpk= 5055, nxpk= 20, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 164 VAL QG2 165 ASP HA 6.00 (# 5057:20 Preassigned 6.65, 6.96 A) &rst ixpk= 5057, nxpk= 20, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2500,2501,2502, &end # # 107 ILE QG2 104 GLY HA2 6.00 (# 5084:20 Preassigned 2.98, 4.71 A) &rst ixpk= 5084, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1629,1630,1631, &end # # 107 ILE QG2 104 GLY HA3 6.00 (# 5085:20 Preassigned 4.14, 5.11 A) &rst ixpk= 5085, nxpk= 20, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1629,1630,1631, &end # # 129 LYS HG3 126 GLY QA 6.00 (# 5100:20 Preassigned 4.44, 5.85 A) &rst ixpk= 5100, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1910,1911, &end # # 149 VAL QG2 143 GLY QA 6.00 (# 5102:20 Preassigned 2.45, 4.45 A) &rst ixpk= 5102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2277,2278,2279, igr2=2184,2185, &end # # 120 THR QG 118 GLY HA2 6.00 (# 5107:20 Preassigned 4.71, 6.47 A) &rst ixpk= 5107, nxpk= 20, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1814,1815,1816, &end # # 189 LEU QD2 188 GLY QA 6.00 (# 5110:20 Preassigned 3.66, 6.90 A) &rst ixpk= 5110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2891,2892,2893, igr2=2873,2874, &end # # 128 LEU QD1 123 LEU HB2 6.00 (# 5111:20 Preassigned 3.31, 5.29 A) &rst ixpk= 5111, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1939,1940,1941, &end # # 128 LEU QD1 123 LEU HB3 6.00 (# 5112:20 Preassigned 3.45, 5.97 A) &rst ixpk= 5112, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1939,1940,1941, &end # # 128 LEU QD1 123 LEU HB3 6.00 (# 5113:20 Preassigned 3.45, 5.97 A) &rst ixpk= 5113, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1939,1940,1941, &end # # 187 THR QG 188 GLY QA 6.00 (# 5115:20 Preassigned 2.88, 5.43 A) &rst ixpk= 5115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2863,2864,2865, igr2=2873,2874, &end # # 164 VAL QG2 123 LEU HB2 6.00 (# 5116:20 Preassigned 2.85, 5.25 A) &rst ixpk= 5116, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2500,2501,2502, &end # # 164 VAL QG2 123 LEU HB3 6.00 (# 5117:20 Preassigned 4.24, 6.38 A) &rst ixpk= 5117, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2500,2501,2502, &end # # 123 LEU QQD 123 LEU HB2 4.50 (# 5119:20 Preassigned 2.22, 3.46 A) &rst ixpk= 5119, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 123 LEU QQD 123 LEU HB3 4.50 (# 5120:20 Preassigned 2.22, 3.48 A) &rst ixpk= 5120, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 109 VAL QQG 112 ARG HD2 6.00 (# 5123:20 Preassigned 2.64, 5.10 A) &rst ixpk= 5123, nxpk= 20, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1660,1661,1662,1664,1665,1666, &end # # 189 LEU QD1 189 LEU QB 3.50 (# 5140:20 Preassigned 2.39, 3.47 A) &rst ixpk= 5140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2887,2888,2889, igr2=2882,2883, &end # # 109 VAL HN 109 VAL HB 6.00 (# 5182:20 Preassigned 2.14, 2.33 A) &rst ixpk= 5182, nxpk= 20, iat=1654,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 165 ASP HA 165 ASP HB2 4.50 (# 5229:20 Preassigned 2.41, 2.90 A) &rst ixpk= 5229, nxpk= 20, iat=2508,2510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 165 ASP HA 165 ASP HB3 6.00 (# 5230:20 Preassigned 2.41, 2.67 A) &rst ixpk= 5230, nxpk= 20, iat=2508,2511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 145 ASP HA 145 ASP HB2 4.50 (# 5247:20 Preassigned 2.47, 2.55 A) &rst ixpk= 5247, nxpk= 20, iat=2213,2215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 161 ASP HA 161 ASP HB3 3.50 (# 5248:20 Preassigned 3.04, 3.05 A) &rst ixpk= 5248, nxpk= 20, iat=2453,2456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 110 PHE QE 113 TYR HB3 6.00 (# 5254:20 Preassigned 3.77, 6.32 A) &rst ixpk= 5254, nxpk= 20, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1680,1684, &end # # 169 PHE HE1 166 PHE QB 6.00 (# 5256:20 Preassigned 4.98, 6.82 A) &rst ixpk= 5256, nxpk= 20, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2522,2523, &end # # 159 ASN HA 159 ASN HB2 4.50 (# 5264:20 Preassigned 2.18, 2.41 A) &rst ixpk= 5264, nxpk= 20, iat=2432,2434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 159 ASN HA 159 ASN HB3 4.50 (# 5265:20 Preassigned 2.31, 2.60 A) &rst ixpk= 5265, nxpk= 20, iat=2432,2435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 172 PHE HN 172 PHE HB3 6.00 (# 5266:20 Preassigned 2.07, 2.32 A) &rst ixpk= 5266, nxpk= 20, iat=2619,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 110 PHE HB2 4.50 (# 5268:20 Preassigned 2.95, 3.76 A) &rst ixpk= 5268, nxpk= 20, iat=2574,1674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 169 PHE HE1 169 PHE HB2 6.00 (# 5269:20 Preassigned 5.37, 5.42 A) &rst ixpk= 5269, nxpk= 20, iat=2574,2568, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 169 PHE HE1 169 PHE HB3 3.50 (# 5270:20 Preassigned 4.55, 4.65 A) &rst ixpk= 5270, nxpk= 20, iat=2574,2569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HE1 110 PHE HB3 4.50 (# 5271:20 Preassigned 3.02, 3.75 A) &rst ixpk= 5271, nxpk= 20, iat=2574,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 169 PHE HE1 170 ILE HB 6.00 (# 5284:20 Preassigned 3.12, 4.78 A) &rst ixpk= 5284, nxpk= 20, iat=2574,2588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 163 GLN HA 163 GLN HG2 4.50 (# 5296:20 Preassigned 2.14, 2.18 A) &rst ixpk= 5296, nxpk= 20, iat=2475,2480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 163 GLN HA 163 GLN HG3 4.50 (# 5297:20 Preassigned 2.66, 3.03 A) &rst ixpk= 5297, nxpk= 20, iat=2475,2481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 GLU HA 135 GLU QG 6.00 (# 5314:20 Preassigned 2.24, 3.52 A) &rst ixpk= 5314, nxpk= 20, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2067,2068, &end # # 135 GLU HA 135 GLU QG 6.00 (# 5315:20 Preassigned 2.24, 3.52 A) &rst ixpk= 5315, nxpk= 20, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2067,2068, &end # # 152 LEU HA 152 LEU HB2 4.50 (# 5404:20 Preassigned 2.20, 2.87 A) &rst ixpk= 5404, nxpk= 20, iat=2319,2321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 152 LEU HA 152 LEU HB3 4.50 (# 5405:20 Preassigned 2.34, 2.46 A) &rst ixpk= 5405, nxpk= 20, iat=2319,2322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 LEU HA 140 LEU HB2 4.50 (# 5406:20 Preassigned 2.98, 3.03 A) &rst ixpk= 5406, nxpk= 20, iat=2137,2139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 156 LEU HG 155 ASP HB2 4.50 (# 5429:20 Preassigned 4.28, 4.64 A) &rst ixpk= 5429, nxpk= 20, iat=2396,2381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LYS QD 155 ASP HB2 4.50 (# 5434:20 Preassigned 4.33, 4.71 A) &rst ixpk= 5434, nxpk= 20, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2305,2306, &end # # 158 ALA QB 157 ASP QB 3.50 (# 5435:20 Preassigned 4.17, 6.26 A) &rst ixpk= 5435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2424,2425,2426, igr2=2412,2413, &end # # 157 ASP HA 157 ASP QB 3.50 (# 5437:20 Preassigned 2.26, 2.56 A) &rst ixpk= 5437, nxpk= 20, iat=2410, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2412,2413, &end # # 155 ASP HA 155 ASP HB3 3.50 (# 5439:20 Preassigned 2.43, 2.49 A) &rst ixpk= 5439, nxpk= 20, iat=2379,2382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 ASP HA 153 LEU HB3 6.00 (# 5440:20 Preassigned 2.18, 2.84 A) &rst ixpk= 5440, nxpk= 20, iat=2285,2341, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 154 LYS HA 157 ASP QB 3.50 (# 5441:20 Preassigned 2.08, 3.33 A) &rst ixpk= 5441, nxpk= 20, iat=2357, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2412,2413, &end # # 128 LEU HA 128 LEU HB2 6.00 (# 5443:20 Preassigned 2.25, 2.49 A) &rst ixpk= 5443, nxpk= 20, iat=1932,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 153 LEU HA 153 LEU HB2 4.50 (# 5444:20 Preassigned 2.44, 2.62 A) &rst ixpk= 5444, nxpk= 20, iat=2338,2340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 153 LEU HA 153 LEU HB3 4.50 (# 5445:20 Preassigned 2.94, 2.99 A) &rst ixpk= 5445, nxpk= 20, iat=2338,2341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS HA 128 LEU HB2 6.00 (# 5446:20 Preassigned 2.26, 3.23 A) &rst ixpk= 5446, nxpk= 20, iat=1888,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 125 LYS HA 128 LEU HB2 6.00 (# 5448:20 Preassigned 2.26, 3.23 A) &rst ixpk= 5448, nxpk= 20, iat=1888,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 125 LYS HA 128 LEU HB3 6.00 (# 5450:20 Preassigned 2.18, 2.57 A) &rst ixpk= 5450, nxpk= 20, iat=1888,1935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 157 ASP QB 153 LEU HB2 4.50 (# 5453:20 Preassigned 2.71, 5.11 A) &rst ixpk= 5453, nxpk= 20, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2412,2413, &end # # 153 LEU HG 157 ASP QB 3.50 (# 5460:20 Preassigned 4.81, 5.51 A) &rst ixpk= 5460, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2412,2413, &end # # 151 LYS QD 150 ASP HB2 3.50 (# 5461:20 Preassigned 3.80, 5.32 A) &rst ixpk= 5461, nxpk= 20, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2305,2306, &end # # 156 LEU HA 156 LEU HB2 4.50 (# 5467:20 Preassigned 4.50, 4.99 A) &rst ixpk= 5467, nxpk= 20, iat=2391,2393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU QB 128 LEU HB2 6.00 (# 5475:20 Double 0.00, 0.00) &rst ixpk= 5475, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1919,1920, &end # # 168 GLU HB3 159 ASN HB2 4.50 (# 5482:20 Single 0.00, 0.00) &rst ixpk= 5482, nxpk= 20, iat=2554,2434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS QG 150 ASP HB2 3.50 (# 5483:20 Preassigned 3.05, 3.68 A) &rst ixpk= 5483, nxpk= 20, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1893,1894, &end # # 156 LEU HA 159 ASN HB3 6.00 (# 5486:20 Preassigned 3.53, 4.39 A) &rst ixpk= 5486, nxpk= 20, iat=2391,2435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 110 PHE HA 110 PHE HB2 6.00 (# 5488:20 Preassigned 2.38, 2.69 A) &rst ixpk= 5488, nxpk= 20, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 110 PHE HA 110 PHE HB3 6.00 (# 5489:20 Preassigned 2.26, 2.79 A) &rst ixpk= 5489, nxpk= 20, iat=1672,1675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 168 GLU HG2 159 ASN HB2 4.50 (# 5495:20 Single 0.00, 0.00) &rst ixpk= 5495, nxpk= 20, iat=2556,2434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 173 VAL HB 172 PHE HB2 6.00 (# 5496:20 Double 0.00, 0.00) &rst ixpk= 5496, nxpk= 20, iat=2643,2623, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 173 VAL HB 169 PHE HB3 6.00 (# 5497:20 Double 0.00, 0.00) &rst ixpk= 5497, nxpk= 20, iat=2643,2569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 158 ALA QB 159 ASN HB2 3.50 (# 5498:20 Double 0.00, 0.00) &rst ixpk= 5498, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2424,2425,2426, &end # # 158 ALA QB 159 ASN HB3 3.50 (# 5499:20 Double 0.00, 0.00) &rst ixpk= 5499, nxpk= 20, iat= -1,2435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2424,2425,2426, &end # # 108 ASP HA 110 PHE HB3 4.50 (# 5500:20 Preassigned 4.07, 5.11 A) &rst ixpk= 5500, nxpk= 20, iat=1644,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 172 PHE HA 172 PHE HB2 4.50 (# 5501:20 Preassigned 2.21, 2.55 A) &rst ixpk= 5501, nxpk= 20, iat=2621,2623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 172 PHE HA 172 PHE HB3 3.50 (# 5502:20 Preassigned 2.28, 2.72 A) &rst ixpk= 5502, nxpk= 20, iat=2621,2624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 169 PHE HA 169 PHE HB2 4.50 (# 5504:20 Preassigned 2.32, 2.41 A) &rst ixpk= 5504, nxpk= 20, iat=2566,2568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HA 172 PHE HB3 6.00 (# 5507:20 Preassigned 5.16, 5.44 A) &rst ixpk= 5507, nxpk= 20, iat=2551,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 166 PHE HA 166 PHE QB 4.50 (# 5512:20 Preassigned 2.25, 2.43 A) &rst ixpk= 5512, nxpk= 20, iat=2520, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2522,2523, &end # # 169 PHE HB3 110 PHE HB3 4.50 (# 5514:20 Preassigned 4.01, 4.54 A) &rst ixpk= 5514, nxpk= 20, iat=2569,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 156 LEU HB2 172 PHE HB3 6.00 (# 5524:20 Double 0.00, 0.00) &rst ixpk= 5524, nxpk= 20, iat=2393,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 175 ALA QB 172 PHE HB2 6.00 (# 5529:20 Preassigned 5.07, 6.53 A) &rst ixpk= 5529, nxpk= 20, iat= -1,2623, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2669,2670,2671, &end # # 156 LEU HB3 172 PHE HB3 4.50 (# 5530:20 Preassigned 2.01, 2.51 A) &rst ixpk= 5530, nxpk= 20, iat=2394,2624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 ASP HA 107 ILE HB 4.50 (# 5532:20 Preassigned 3.84, 4.82 A) &rst ixpk= 5532, nxpk= 20, iat=1644,1627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 GLY HA2 107 ILE HB 4.50 (# 5534:20 Preassigned 2.11, 2.96 A) &rst ixpk= 5534, nxpk= 20, iat=1582,1627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 133 GLU HA 139 PHE QB 6.00 (# 5536:20 Preassigned 2.26, 5.60 A) &rst ixpk= 5536, nxpk= 20, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2119,2120, &end # # 100 GLU HA 100 GLU HG2 6.00 (# 5538:20 Preassigned 2.24, 3.08 A) &rst ixpk= 5538, nxpk= 20, iat=1530,1535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HA 100 GLU HG3 6.00 (# 5539:20 Preassigned 2.40, 3.14 A) &rst ixpk= 5539, nxpk= 20, iat=1530,1536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HA 100 GLU HG2 6.00 (# 5541:20 Preassigned 2.24, 3.08 A) &rst ixpk= 5541, nxpk= 20, iat=1530,1535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HB2 100 GLU HG3 6.00 (# 5557:20 Preassigned 2.40, 2.73 A) &rst ixpk= 5557, nxpk= 20, iat=1532,1536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 156 LEU HB2 172 PHE HB2 6.00 (# 5559:20 Double 0.00, 0.00) &rst ixpk= 5559, nxpk= 20, iat=2393,2623, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 132 MET QB 139 PHE QB 6.00 (# 5560:20 Preassigned 5.85, 5.98 A) &rst ixpk= 5560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=2010,2011, igr2=2119,2120, &end # # 100 GLU HB3 100 GLU HG3 6.00 (# 5567:20 Preassigned 2.23, 2.67 A) &rst ixpk= 5567, nxpk= 20, iat=1533,1536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 GLU HB3 100 GLU HG2 4.50 (# 5568:20 Preassigned 2.44, 2.75 A) &rst ixpk= 5568, nxpk= 20, iat=1533,1535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 139 PHE HA 139 PHE QB 4.50 (# 5570:20 Preassigned 2.12, 2.76 A) &rst ixpk= 5570, nxpk= 20, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2119,2120, &end # # 107 ILE HA 107 ILE HB 4.50 (# 5573:20 Preassigned 2.99, 3.00 A) &rst ixpk= 5573, nxpk= 20, iat=1625,1627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 ASP HB2 107 ILE HB 6.00 (# 5575:20 Preassigned 4.87, 5.37 A) &rst ixpk= 5575, nxpk= 20, iat=1646,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 98 GLU HA 98 GLU HG2 4.50 (# 5580:20 Preassigned 2.92, 3.31 A) &rst ixpk= 5580, nxpk= 20, iat=1496,1501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU HA 127 GLU QG 3.50 (# 5581:20 Preassigned 2.42, 3.19 A) &rst ixpk= 5581, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1922,1923, &end # # 168 GLU HA 168 GLU HG2 4.50 (# 5584:20 Preassigned 2.46, 2.91 A) &rst ixpk= 5584, nxpk= 20, iat=2551,2556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HA 168 GLU HG3 4.50 (# 5586:20 Preassigned 3.07, 3.39 A) &rst ixpk= 5586, nxpk= 20, iat=2551,2557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 133 GLU HA 133 GLU QG 4.50 (# 5588:20 Preassigned 2.00, 2.66 A) &rst ixpk= 5588, nxpk= 20, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2030,2031, &end # # 176 ILE HA 176 ILE HB 4.50 (# 5589:20 Preassigned 2.97, 3.02 A) &rst ixpk= 5589, nxpk= 20, iat=2677,2679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 173 VAL HA 176 ILE HB 6.00 (# 5590:20 Preassigned 2.73, 2.86 A) &rst ixpk= 5590, nxpk= 20, iat=2641,2679, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 113 TYR HB2 127 GLU QG 4.50 (# 5592:20 Double 0.00, 0.00) &rst ixpk= 5592, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1922,1923, &end # # 98 GLU QB 98 GLU HG2 3.50 (# 5602:20 Preassigned 2.23, 2.71 A) &rst ixpk= 5602, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1498,1499, &end # # 98 GLU QB 98 GLU HG3 3.50 (# 5603:20 Preassigned 2.36, 2.74 A) &rst ixpk= 5603, nxpk= 20, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1498,1499, &end # # 140 LEU HB3 133 GLU QG 4.50 (# 5608:20 Double 0.00, 0.00) &rst ixpk= 5608, nxpk= 20, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2030,2031, &end # # 123 LEU HB2 127 GLU QG 4.50 (# 5609:20 Preassigned 2.44, 4.59 A) &rst ixpk= 5609, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1922,1923, &end # # 185 GLU HA 185 GLU HG2 4.50 (# 5612:20 Preassigned 2.36, 3.00 A) &rst ixpk= 5612, nxpk= 20, iat=2822,2827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 185 GLU HA 185 GLU HG3 4.50 (# 5613:20 Preassigned 2.37, 3.24 A) &rst ixpk= 5613, nxpk= 20, iat=2822,2828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 176 ILE HG2 176 ILE HB 3.50 (# 5621:20 Preassigned 2.30, 2.38 A) &rst ixpk= 5621, nxpk= 20, iat=2685,2679, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 GLU HA 117 GLU QG 4.50 (# 5622:20 Preassigned 2.56, 3.69 A) &rst ixpk= 5622, nxpk= 20, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1782,1783, &end # # 167 SER HA 170 ILE HB 6.00 (# 5623:20 Preassigned 2.88, 3.34 A) &rst ixpk= 5623, nxpk= 20, iat=2540,2588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 170 ILE HA 170 ILE HB 4.50 (# 5626:20 Preassigned 2.47, 2.58 A) &rst ixpk= 5626, nxpk= 20, iat=2586,2588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LYS HE2 151 LYS QD 6.00 (# 5635:20 Preassigned 2.43, 2.77 A) &rst ixpk= 5635, nxpk= 20, iat=2308, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2305,2306, &end # # 186 LYS QD 186 LYS QG 3.50 (# 5639:20 Preassigned 2.28, 2.68 A) &rst ixpk= 5639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2845,2846, igr2=2842,2843, &end # # 190 LYS QD 190 LYS HG3 4.50 (# 5640:20 Preassigned 2.41, 2.72 A) &rst ixpk= 5640, nxpk= 20, iat= -1,2905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2907,2908, &end # # 135 GLU QB 136 LEU QD2 6.00 (# 5647:20 Preassigned 2.38, 6.38 A) &rst ixpk= 5647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2064,2065, igr2=2088,2089,2090, &end # # 131 LEU HB2 131 LEU HG 6.00 (# 5649:20 Preassigned 2.23, 2.61 A) &rst ixpk= 5649, nxpk= 20, iat=1991,1994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 164 VAL HA 164 VAL HB 4.50 (# 5678:20 Preassigned 2.99, 3.03 A) &rst ixpk= 5678, nxpk= 20, iat=2492,2494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 GLN HA 121 GLN QG 3.50 (# 5679:20 Preassigned 2.21, 3.17 A) &rst ixpk= 5679, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1829,1830, &end # # 134 LYS HA 134 LYS QB 3.50 (# 5681:20 Preassigned 2.40, 2.74 A) &rst ixpk= 5681, nxpk= 20, iat=2040, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2042,2043, &end # # 122 THR HB 164 VAL HB 4.50 (# 5682:20 Preassigned 5.51, 5.65 A) &rst ixpk= 5682, nxpk= 20, iat=1843,2494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 131 LEU HA 134 LYS QB 6.00 (# 5685:20 Preassigned 2.62, 5.66 A) &rst ixpk= 5685, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2042,2043, &end # # 163 GLN QB 163 GLN HG2 3.50 (# 5698:20 Preassigned 2.41, 2.81 A) &rst ixpk= 5698, nxpk= 20, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2477,2478, &end # # 163 GLN QB 163 GLN HG3 3.50 (# 5699:20 Preassigned 2.37, 2.71 A) &rst ixpk= 5699, nxpk= 20, iat= -1,2481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2477,2478, &end # # 134 LYS HG2 134 LYS QB 3.50 (# 5701:20 Preassigned 2.27, 2.59 A) &rst ixpk= 5701, nxpk= 20, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2042,2043, &end # # 101 ALA QB 96 MET QB 4.50 (# 5702:20 Preassigned 2.29, 5.41 A) &rst ixpk= 5702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1547,1548,1549, igr2=1467,1468, &end # # 123 LEU HB2 164 VAL HB 3.50 (# 5703:20 Preassigned 2.48, 3.37 A) &rst ixpk= 5703, nxpk= 20, iat=1857,2494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 120 THR HA 121 GLN QG 3.50 (# 5704:20 Preassigned 2.42, 2.78 A) &rst ixpk= 5704, nxpk= 20, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1829,1830, &end # # 105 MET HA 105 MET HG2 4.50 (# 5705:20 Preassigned 3.98, 4.06 A) &rst ixpk= 5705, nxpk= 20, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET HA 105 MET HG3 4.50 (# 5706:20 Preassigned 3.20, 3.41 A) &rst ixpk= 5706, nxpk= 20, iat=1589,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 141 GLN HA 141 GLN QG 4.50 (# 5708:20 Preassigned 2.27, 3.15 A) &rst ixpk= 5708, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2161,2162, &end # # 138 GLY QA 141 GLN QG 6.00 (# 5709:20 Preassigned 2.40, 4.91 A) &rst ixpk= 5709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=2110,2111, igr2=2161,2162, &end # # 105 MET QB 105 MET HG2 3.50 (# 5714:20 Preassigned 2.20, 2.46 A) &rst ixpk= 5714, nxpk= 20, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1591,1592, &end # # 96 MET QG 96 MET QB 3.50 (# 5715:20 Preassigned 2.35, 2.72 A) &rst ixpk= 5715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1470,1471, igr2=1467,1468, &end # # 140 LEU HB3 141 GLN QG 6.00 (# 5723:20 Preassigned 4.67, 5.80 A) &rst ixpk= 5723, nxpk= 20, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2161,2162, &end # # 186 LYS HA 186 LYS HB2 4.50 (# 5725:20 Preassigned 2.30, 2.73 A) &rst ixpk= 5725, nxpk= 20, iat=2837,2839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 186 LYS HA 186 LYS HB3 4.50 (# 5726:20 Preassigned 2.42, 2.57 A) &rst ixpk= 5726, nxpk= 20, iat=2837,2840, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 MET HA 132 MET HG2 6.00 (# 5727:20 Preassigned 2.15, 3.11 A) &rst ixpk= 5727, nxpk= 20, iat=2008,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 144 LYS HA 144 LYS QB 3.50 (# 5737:20 Double 0.00, 0.00) &rst ixpk= 5737, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2193,2194, &end # # 151 LYS HA 151 LYS QB 3.50 (# 5739:20 Preassigned 2.33, 2.76 A) &rst ixpk= 5739, nxpk= 20, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2299,2300, &end # # 132 MET HA 132 MET HG3 3.50 (# 5741:20 Preassigned 2.63, 3.66 A) &rst ixpk= 5741, nxpk= 20, iat=2008,2014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 MET HG2 132 MET QB 6.00 (# 5744:20 Preassigned 2.43, 2.76 A) &rst ixpk= 5744, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2010,2011, &end # # 102 ALA HA 105 MET QB 4.50 (# 5754:20 Preassigned 2.40, 3.90 A) &rst ixpk= 5754, nxpk= 20, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1591,1592, &end # # 109 VAL HA 109 VAL HB 3.50 (# 5759:20 Preassigned 2.56, 2.88 A) &rst ixpk= 5759, nxpk= 20, iat=1656,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 129 LYS HA 129 LYS HB2 4.50 (# 5760:20 Preassigned 2.12, 2.24 A) &rst ixpk= 5760, nxpk= 20, iat=1951,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS HA 125 LYS HB3 4.50 (# 5761:20 Preassigned 2.63, 2.86 A) &rst ixpk= 5761, nxpk= 20, iat=1888,1891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 149 VAL HA 149 VAL HB 4.50 (# 5762:20 Preassigned 2.97, 3.01 A) &rst ixpk= 5762, nxpk= 20, iat=2269,2271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 MET HG3 105 MET QB 3.50 (# 5774:20 Preassigned 2.51, 2.84 A) &rst ixpk= 5774, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1591,1592, &end # # 168 GLU HA 171 VAL HB 3.50 (# 5782:20 Preassigned 3.16, 5.49 A) &rst ixpk= 5782, nxpk= 20, iat=2551,2607, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 173 VAL HA 173 VAL HB 6.00 (# 5783:20 Preassigned 2.93, 2.97 A) &rst ixpk= 5783, nxpk= 20, iat=2641,2643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 171 VAL HA 171 VAL HB 6.00 (# 5784:20 Preassigned 2.97, 3.02 A) &rst ixpk= 5784, nxpk= 20, iat=2605,2607, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 170 ILE HA 173 VAL HB 4.50 (# 5785:20 Preassigned 2.12, 2.56 A) &rst ixpk= 5785, nxpk= 20, iat=2586,2643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 ASP HB3 149 VAL HB 4.50 (# 5786:20 Preassigned 2.60, 3.82 A) &rst ixpk= 5786, nxpk= 20, iat=2288,2271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 148 ALA QB 149 VAL HB 4.50 (# 5790:20 Preassigned 6.33, 6.83 A) &rst ixpk= 5790, nxpk= 20, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2261,2262,2263, &end # # 103 MET HA 103 MET HG3 6.00 (# 5791:20 Preassigned 2.15, 3.01 A) &rst ixpk= 5791, nxpk= 20, iat=1565,1571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 96 MET HA 96 MET QG 4.50 (# 5792:20 Preassigned 2.20, 2.69 A) &rst ixpk= 5792, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1470,1471, &end # # 117 GLU HA 117 GLU HB2 4.50 (# 5793:20 Preassigned 2.32, 2.52 A) &rst ixpk= 5793, nxpk= 20, iat=1777,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 GLU HA 117 GLU HB3 4.50 (# 5794:20 Preassigned 2.38, 2.45 A) &rst ixpk= 5794, nxpk= 20, iat=1777,1780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 ALA HA 96 MET QG 4.50 (# 5795:20 Preassigned 2.68, 3.51 A) &rst ixpk= 5795, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1470,1471, &end # # 100 GLU HG2 100 GLU HB2 3.50 (# 5800:20 Preassigned 2.40, 2.78 A) &rst ixpk= 5800, nxpk= 20, iat=1535,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 135 GLU QG 135 GLU QB 6.00 (# 5801:20 Preassigned 2.21, 2.66 A) &rst ixpk= 5801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=2067,2068, igr2=2064,2065, &end # # 103 MET HB2 103 MET HG2 3.50 (# 5802:20 Preassigned 2.45, 2.73 A) &rst ixpk= 5802, nxpk= 20, iat=1567,1570, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 LYS QB 135 GLU QG 6.00 (# 5804:20 Preassigned 2.06, 4.96 A) &rst ixpk= 5804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=2042,2043, igr2=2067,2068, &end # # 101 ALA QB 96 MET QG 6.00 (# 5810:20 Preassigned 2.22, 3.70 A) &rst ixpk= 5810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1547,1548,1549, igr2=1470,1471, &end # # 127 GLU HA 127 GLU QB 3.50 (# 5814:20 Preassigned 2.19, 2.69 A) &rst ixpk= 5814, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1919,1920, &end # # 122 THR HB 163 GLN QB 3.50 (# 5815:20 Preassigned 2.60, 3.48 A) &rst ixpk= 5815, nxpk= 20, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2477,2478, &end # # 112 ARG HA 112 ARG HB3 3.50 (# 5816:20 Preassigned 2.20, 2.50 A) &rst ixpk= 5816, nxpk= 20, iat=1703,1706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 168 GLU HA 168 GLU HB2 4.50 (# 5817:20 Preassigned 2.80, 2.99 A) &rst ixpk= 5817, nxpk= 20, iat=2551,2553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 168 GLU HA 168 GLU HB3 3.50 (# 5818:20 Preassigned 2.20, 2.36 A) &rst ixpk= 5818, nxpk= 20, iat=2551,2554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 137 PRO HD2 137 PRO HB2 6.00 (# 5821:20 Preassigned 2.74, 3.54 A) &rst ixpk= 5821, nxpk= 20, iat=2095,2101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 112 ARG HD2 112 ARG HB2 6.00 (# 5823:20 Preassigned 2.19, 3.27 A) &rst ixpk= 5823, nxpk= 20, iat=1711,1705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 123 LEU HG 127 GLU QB 4.50 (# 5832:20 Preassigned 4.07, 5.01 A) &rst ixpk= 5832, nxpk= 20, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1919,1920, &end # # 121 GLN HA 121 GLN HB2 4.50 (# 5833:20 Preassigned 2.36, 2.75 A) &rst ixpk= 5833, nxpk= 20, iat=1824,1826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 GLN HA 121 GLN HB3 4.50 (# 5834:20 Preassigned 2.29, 2.55 A) &rst ixpk= 5834, nxpk= 20, iat=1824,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 181 HIS HA 181 HIS HB2 4.50 (# 5835:20 Preassigned 2.29, 2.52 A) &rst ixpk= 5835, nxpk= 20, iat=2742,2744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 181 HIS HA 181 HIS HB3 6.00 (# 5836:20 Preassigned 2.30, 2.51 A) &rst ixpk= 5836, nxpk= 20, iat=2742,2745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 98 GLU HA 98 GLU QB 3.50 (# 5839:20 Preassigned 2.26, 2.65 A) &rst ixpk= 5839, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1498,1499, &end # # 133 GLU HA 133 GLU HB2 4.50 (# 5840:20 Preassigned 2.95, 3.00 A) &rst ixpk= 5840, nxpk= 20, iat=2025,2027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS HA 134 LYS QD 4.50 (# 5857:20 Preassigned 2.46, 3.79 A) &rst ixpk= 5857, nxpk= 20, iat=2040, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2048,2049, &end # # 138 GLY QA 141 GLN QB 4.50 (# 5861:20 Preassigned 3.28, 5.91 A) &rst ixpk= 5861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2110,2111, igr2=2158,2159, &end # # 134 LYS QE 134 LYS QD 4.50 (# 5867:20 Preassigned 2.34, 2.62 A) &rst ixpk= 5867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2051,2052, igr2=2048,2049, &end # # 134 LYS HG2 134 LYS QD 3.50 (# 5883:20 Preassigned 2.28, 2.56 A) &rst ixpk= 5883, nxpk= 20, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2048,2049, &end # # 141 GLN HA 141 GLN QB 3.50 (# 5888:20 Preassigned 2.36, 2.72 A) &rst ixpk= 5888, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2158,2159, &end # # 141 GLN QG 141 GLN QB 3.50 (# 5894:20 Preassigned 2.27, 2.68 A) &rst ixpk= 5894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2161,2162, igr2=2158,2159, &end # # 112 ARG HA 112 ARG HG3 4.50 (# 5903:20 Preassigned 2.68, 3.09 A) &rst ixpk= 5903, nxpk= 20, iat=1703,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 VAL HA 112 ARG HG3 4.50 (# 5906:20 Preassigned 2.11, 2.94 A) &rst ixpk= 5906, nxpk= 20, iat=1656,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 ASP HA 153 LEU HG 6.00 (# 5915:20 Preassigned 4.72, 5.42 A) &rst ixpk= 5915, nxpk= 20, iat=2285,2343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 152 LEU HA 152 LEU HG 3.50 (# 5918:20 Preassigned 3.42, 3.62 A) &rst ixpk= 5918, nxpk= 20, iat=2319,2324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 167 SER HA 170 ILE QG1 4.50 (# 5919:20 Preassigned 4.35, 5.09 A) &rst ixpk= 5919, nxpk= 20, iat=2540, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2594,2595, &end # # 137 PRO HD3 137 PRO QG 6.00 (# 5921:20 Preassigned 2.26, 2.56 A) &rst ixpk= 5921, nxpk= 20, iat=2096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2098,2099, &end # # 112 ARG HD2 112 ARG HG3 4.50 (# 5924:20 Preassigned 2.26, 2.64 A) &rst ixpk= 5924, nxpk= 20, iat=1711,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 170 ILE HA 170 ILE QG1 6.00 (# 5925:20 Preassigned 2.12, 3.15 A) &rst ixpk= 5925, nxpk= 20, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2594,2595, &end # # 137 PRO HB3 137 PRO QG 3.50 (# 5931:20 Preassigned 2.30, 2.62 A) &rst ixpk= 5931, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2098,2099, &end # # 153 LEU HB3 153 LEU HG 6.00 (# 5934:20 Preassigned 2.52, 2.82 A) &rst ixpk= 5934, nxpk= 20, iat=2341,2343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 170 ILE HB 170 ILE QG1 3.50 (# 5935:20 Preassigned 2.27, 2.60 A) &rst ixpk= 5935, nxpk= 20, iat=2588, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2594,2595, &end # # 153 LEU HA 153 LEU HG 4.50 (# 5938:20 Preassigned 2.39, 2.57 A) &rst ixpk= 5938, nxpk= 20, iat=2338,2343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 154 LYS HA 154 LYS HG2 4.50 (# 5953:20 Preassigned 2.29, 2.46 A) &rst ixpk= 5953, nxpk= 20, iat=2357,2362, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 156 LEU HA 156 LEU HG 6.00 (# 5954:20 Preassigned 2.14, 3.51 A) &rst ixpk= 5954, nxpk= 20, iat=2391,2396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 153 LEU HG 153 LEU QD1 3.50 (# 5958:20 Preassigned 2.24, 2.66 A) &rst ixpk= 5958, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2345,2346,2347, &end # # 123 LEU HB3 153 LEU QD1 4.50 (# 5959:20 Preassigned 2.99, 3.73 A) &rst ixpk= 5959, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2345,2346,2347, &end # # 134 LYS HA 134 LYS HG2 4.50 (# 5962:20 Preassigned 2.33, 3.04 A) &rst ixpk= 5962, nxpk= 20, iat=2040,2045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 LYS HA 134 LYS HG3 3.50 (# 5963:20 Preassigned 2.14, 2.78 A) &rst ixpk= 5963, nxpk= 20, iat=2040,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 154 LYS HA 154 LYS HG3 3.50 (# 5965:20 Preassigned 2.92, 3.49 A) &rst ixpk= 5965, nxpk= 20, iat=2357,2363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 153 LEU HA 156 LEU QD1 4.50 (# 5966:20 Preassigned 3.96, 4.83 A) &rst ixpk= 5966, nxpk= 20, iat=2338, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2398,2399,2400, &end # # 151 LYS HA 151 LYS HG2 4.50 (# 5967:20 Preassigned 2.50, 3.13 A) &rst ixpk= 5967, nxpk= 20, iat=2297,2302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 129 LYS HA 129 LYS HG3 6.00 (# 5970:20 Preassigned 2.69, 3.53 A) &rst ixpk= 5970, nxpk= 20, iat=1951,1957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 151 LYS HE2 151 LYS HG2 4.50 (# 5974:20 Preassigned 2.10, 3.07 A) &rst ixpk= 5974, nxpk= 20, iat=2308,2302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 129 LYS HB2 129 LYS HG3 4.50 (# 5977:20 Preassigned 2.15, 2.27 A) &rst ixpk= 5977, nxpk= 20, iat=1953,1957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 156 LEU HB2 156 LEU QD1 3.50 (# 5979:20 Preassigned 2.25, 3.02 A) &rst ixpk= 5979, nxpk= 20, iat=2393, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2398,2399,2400, &end # # 151 LYS QB 151 LYS HG2 3.50 (# 5981:20 Preassigned 2.31, 2.74 A) &rst ixpk= 5981, nxpk= 20, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2299,2300, &end # # 156 LEU HB3 156 LEU QD1 3.50 (# 5985:20 Preassigned 2.41, 3.31 A) &rst ixpk= 5985, nxpk= 20, iat=2394, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2398,2399,2400, &end # # 150 ASP HA 154 LYS HG3 4.50 (# 5986:20 Preassigned 4.47, 4.81 A) &rst ixpk= 5986, nxpk= 20, iat=2285,2363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 LYS HB3 153 LEU QD1 3.50 (# 5996:20 Double 0.00, 0.00) &rst ixpk= 5996, nxpk= 20, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2345,2346,2347, &end # # 190 LYS HA 189 LEU QD1 4.50 (# 6000:20 Preassigned 3.85, 5.66 A) &rst ixpk= 6000, nxpk= 20, iat=2899, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2887,2888,2889, &end # # 134 LEU HB3 134 LYS QE 6.00 (# 6034:20 Unique 2.78, 6.60 A) &rst ixpk= 6034, nxpk= 20, iat=2043, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2051,2052, &end # # 122 THR QG 165 ASP HB2 6.00 (# 6036:20 Preassigned 2.72, 5.31 A) &rst ixpk= 6036, nxpk= 20, iat= -1,2510, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1845,1846,1847, &end # # 122 THR QG 165 ASP HB3 4.50 (# 6037:20 Preassigned 2.90, 5.12 A) &rst ixpk= 6037, nxpk= 20, iat= -1,2511, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 153 LEU QD1 157 ASP QB 4.50 (# 6039:20 Double 0.00, 0.00) &rst ixpk= 6039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2345,2346,2347, igr2=2412,2413, &end # # 152 LEU QQD 152 LEU HB2 3.50 (# 6041:20 Preassigned 2.41, 3.55 A) &rst ixpk= 6041, nxpk= 20, iat= -1,2321, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2326,2327,2328,2330,2331,2332, &end # # 156 LEU QD1 157 ASP QB 4.50 (# 6043:20 Preassigned 4.10, 6.30 A) &rst ixpk= 6043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2398,2399,2400, igr2=2412,2413, &end # # 156 LEU QD2 157 ASP QB 6.00 (# 6044:20 Preassigned 4.59, 6.37 A) &rst ixpk= 6044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2402,2403,2404, igr2=2412,2413, &end # # 128 LEU QD1 128 LEU HB2 6.00 (# 6048:20 Preassigned 2.39, 2.99 A) &rst ixpk= 6048, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1939,1940,1941, &end # # 128 LEU QD1 153 LEU HB2 3.50 (# 6050:20 Double 0.00, 0.00) &rst ixpk= 6050, nxpk= 20, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1939,1940,1941, &end # # 153 LEU QD1 128 LEU HB2 6.00 (# 6052:20 Preassigned 3.43, 4.88 A) &rst ixpk= 6052, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2345,2346,2347, &end # # 153 LEU QD1 153 LEU HB2 3.50 (# 6053:20 Preassigned 2.26, 3.15 A) &rst ixpk= 6053, nxpk= 20, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2345,2346,2347, &end # # 140 LEU QQD 140 LEU HB2 3.50 (# 6054:20 Preassigned 2.36, 3.43 A) &rst ixpk= 6054, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 153 LEU QD1 153 LEU HB3 3.50 (# 6055:20 Preassigned 2.99, 3.73 A) &rst ixpk= 6055, nxpk= 20, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2345,2346,2347, &end # # 164 VAL QG2 128 LEU HB2 6.00 (# 6056:20 Preassigned 3.43, 4.88 A) &rst ixpk= 6056, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2500,2501,2502, &end # # 128 LEU QD2 128 LEU HB2 4.50 (# 6058:20 Preassigned 2.40, 3.46 A) &rst ixpk= 6058, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1943,1944,1945, &end # # 128 LEU QD2 128 LEU HB3 4.50 (# 6059:20 Preassigned 2.31, 3.14 A) &rst ixpk= 6059, nxpk= 20, iat= -1,1935, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1943,1944,1945, &end # # 153 LEU QD1 128 LEU HB2 6.00 (# 6063:20 Preassigned 3.43, 4.88 A) &rst ixpk= 6063, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2345,2346,2347, &end # # 156 LEU QD1 156 LEU HB3 4.50 (# 6064:20 Preassigned 2.41, 3.31 A) &rst ixpk= 6064, nxpk= 20, iat= -1,2394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2398,2399,2400, &end # # 131 LEU HB3 113 TYR HB3 6.00 (# 6066:20 Preassigned 5.04, 5.48 A) &rst ixpk= 6066, nxpk= 20, iat=1992,1730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 123 LEU QQD 113 TYR HB2 4.50 (# 6067:20 Preassigned 2.14, 4.61 A) &rst ixpk= 6067, nxpk= 20, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 123 LEU QQD 113 TYR HB3 4.50 (# 6068:20 Preassigned 2.74, 4.89 A) &rst ixpk= 6068, nxpk= 20, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1862,1863,1864,1866,1867,1868, &end # # 128 LEU QD1 169 PHE HB2 6.00 (# 6075:20 Preassigned 4.82, 6.42 A) &rst ixpk= 6075, nxpk= 20, iat= -1,2568, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1939,1940,1941, &end # # 164 VAL QG1 172 PHE HB2 6.00 (# 6076:20 Double 0.00, 0.00) &rst ixpk= 6076, nxpk= 20, iat= -1,2623, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2496,2497,2498, &end # # 164 VAL QG1 169 PHE HB3 4.50 (# 6077:20 Double 0.00, 0.00) &rst ixpk= 6077, nxpk= 20, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2496,2497,2498, &end # # 128 LEU QD1 169 PHE HB2 6.00 (# 6078:20 Preassigned 4.82, 6.42 A) &rst ixpk= 6078, nxpk= 20, iat= -1,2568, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1939,1940,1941, &end # # 107 ILE QG2 110 PHE HB3 4.50 (# 6081:20 Preassigned 3.97, 5.41 A) &rst ixpk= 6081, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1629,1630,1631, &end # # 171 VAL QG2 159 ASN HB2 4.50 (# 6082:20 Double 0.00, 0.00) &rst ixpk= 6082, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2613,2614,2615, &end # # 156 LEU QD1 172 PHE HB2 3.50 (# 6083:20 Preassigned 2.15, 4.01 A) &rst ixpk= 6083, nxpk= 20, iat= -1,2623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2398,2399,2400, &end # # 156 LEU QD1 172 PHE HB3 4.50 (# 6084:20 Preassigned 2.28, 3.99 A) &rst ixpk= 6084, nxpk= 20, iat= -1,2624, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2398,2399,2400, &end # # 156 LEU QD1 169 PHE HB2 6.00 (# 6085:20 Double 0.00, 0.00) &rst ixpk= 6085, nxpk= 20, iat= -1,2568, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2398,2399,2400, &end # # 106 ILE QG1 106 ILE HB 3.50 (# 6105:20 Preassigned 2.25, 2.47 A) &rst ixpk= 6105, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1614,1615, &end # # 136 LEU QD1 139 PHE QB 4.50 (# 6107:20 Preassigned 2.49, 6.28 A) &rst ixpk= 6107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2084,2085,2086, igr2=2119,2120, &end # # 106 ILE QD 106 ILE HB 3.50 (# 6108:20 Preassigned 2.30, 3.70 A) &rst ixpk= 6108, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1617,1618,1619, &end # # 123 LEU QQD 127 GLU QG 6.00 (# 6111:20 Preassigned 2.35, 5.31 A) &rst ixpk= 6111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1862,1863,1864,1866,1867,1868, igr2=1922,1923, &end # # 170 ILE QD 106 ILE HB 4.50 (# 6113:20 Preassigned 2.27, 3.69 A) &rst ixpk= 6113, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2597,2598,2599, &end # # 170 ILE QD 107 ILE HB 4.50 (# 6114:20 Unique 4.23, 5.49 A) &rst ixpk= 6114, nxpk= 20, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2597,2598,2599, &end # # 129 LYS HG3 133 GLU QG 4.50 (# 6115:20 Preassigned 4.31, 6.18 A) &rst ixpk= 6115, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2030,2031, &end # # 124 THR QG 127 GLU QG 4.50 (# 6116:20 Double 0.00, 0.00) &rst ixpk= 6116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1878,1879,1880, igr2=1922,1923, &end # # 164 VAL QG1 168 GLU HG2 4.50 (# 6118:20 Preassigned 3.18, 5.73 A) &rst ixpk= 6118, nxpk= 20, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2496,2497,2498, &end # # 140 LEU QQD 133 GLU QG 4.50 (# 6120:20 Double 0.00, 0.00) &rst ixpk= 6120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2144,2145,2146,2148,2149,2150, igr2=2030,2031, &end # # 176 ILE QG2 176 ILE HB 3.50 (# 6122:20 Preassigned 2.29, 2.65 A) &rst ixpk= 6122, nxpk= 20, iat= -1,2679, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2681,2682,2683, &end # # 173 VAL QG2 176 ILE HB 6.00 (# 6124:20 Preassigned 3.48, 4.98 A) &rst ixpk= 6124, nxpk= 20, iat= -1,2679, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2649,2650,2651, &end # # 106 ILE QG1 170 ILE HB 6.00 (# 6131:20 Preassigned 4.45, 5.99 A) &rst ixpk= 6131, nxpk= 20, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1614,1615, &end # # 128 LEU QD1 123 LEU HG 4.50 (# 6132:20 Preassigned 3.75, 4.54 A) &rst ixpk= 6132, nxpk= 20, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1939,1940,1941, &end # # 170 ILE QG1 170 ILE HB 3.50 (# 6133:20 Preassigned 2.27, 2.60 A) &rst ixpk= 6133, nxpk= 20, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2594,2595, &end # # 170 ILE QG2 170 ILE HB 3.50 (# 6135:20 Preassigned 2.23, 2.66 A) &rst ixpk= 6135, nxpk= 20, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2590,2591,2592, &end # # 128 LEU QD1 125 LYS QG 6.00 (# 6142:20 Double 0.00, 0.00) &rst ixpk= 6142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1939,1940,1941, igr2=1893,1894, &end # # 124 THR QG 163 GLN HG2 4.50 (# 6145:20 Preassigned 4.15, 4.74 A) &rst ixpk= 6145, nxpk= 20, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1878,1879,1880, &end # # 124 THR QG 163 GLN HG3 4.50 (# 6146:20 Preassigned 4.99, 5.77 A) &rst ixpk= 6146, nxpk= 20, iat= -1,2481, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1878,1879,1880, &end # # 122 THR QG 163 GLN HG2 4.50 (# 6148:20 Preassigned 3.43, 5.13 A) &rst ixpk= 6148, nxpk= 20, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 122 THR QG 163 GLN HG3 4.50 (# 6149:20 Preassigned 4.52, 5.84 A) &rst ixpk= 6149, nxpk= 20, iat= -1,2481, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1845,1846,1847, &end # # 164 VAL QG1 164 VAL HB 3.50 (# 6150:20 Preassigned 2.37, 2.64 A) &rst ixpk= 6150, nxpk= 20, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2496,2497,2498, &end # # 164 VAL QG2 164 VAL HB 3.50 (# 6152:20 Preassigned 2.21, 2.65 A) &rst ixpk= 6152, nxpk= 20, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2500,2501,2502, &end # # 156 LEU QD1 164 VAL HB 4.50 (# 6155:20 Preassigned 3.61, 4.84 A) &rst ixpk= 6155, nxpk= 20, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2398,2399,2400, &end # # 131 LEU QD2 134 LYS QB 6.00 (# 6158:20 Preassigned 2.84, 6.01 A) &rst ixpk= 6158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2000,2001,2002, igr2=2042,2043, &end # # 131 LEU HB3 134 LYS QB 4.50 (# 6160:20 Preassigned 4.43, 5.39 A) &rst ixpk= 6160, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2042,2043, &end # # 149 VAL QG2 132 MET HG2 4.50 (# 6167:20 Double 0.00, 0.00) &rst ixpk= 6167, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2277,2278,2279, &end # # 131 LEU QD1 132 MET HG2 4.50 (# 6171:20 Preassigned 4.57, 5.71 A) &rst ixpk= 6171, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1996,1997,1998, &end # # 128 LEU QD2 132 MET HG3 4.50 (# 6172:20 Double 0.00, 0.00) &rst ixpk= 6172, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1943,1944,1945, &end # # 129 LYS HG3 132 MET HG2 6.00 (# 6174:20 Double 0.00, 0.00) &rst ixpk= 6174, nxpk= 20, iat=1957,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 109 VAL QQG 109 VAL HB 3.50 (# 6176:20 Preassigned 2.38, 2.65 A) &rst ixpk= 6176, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1660,1661,1662,1664,1665,1666, &end # # 149 VAL QG1 149 VAL HB 3.50 (# 6177:20 Preassigned 2.28, 2.65 A) &rst ixpk= 6177, nxpk= 20, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2273,2274,2275, &end # # 131 LEU QD2 109 VAL HB 6.00 (# 6180:20 Unique 3.80, 6.36 A) &rst ixpk= 6180, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2000,2001,2002, &end # # 136 LEU QD1 135 GLU QG 4.50 (# 6184:20 Unique 2.15, 6.24 A) &rst ixpk= 6184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2084,2085,2086, igr2=2067,2068, &end # # 149 VAL QG2 129 LYS HB2 3.50 (# 6185:20 Preassigned 2.45, 2.67 A) &rst ixpk= 6185, nxpk= 20, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2277,2278,2279, &end # # 173 VAL QG1 173 VAL HB 3.50 (# 6189:20 Preassigned 2.28, 2.62 A) &rst ixpk= 6189, nxpk= 20, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2645,2646,2647, &end # # 171 VAL QG2 171 VAL HB 3.50 (# 6190:20 Preassigned 2.35, 2.67 A) &rst ixpk= 6190, nxpk= 20, iat= -1,2607, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2613,2614,2615, &end # # 170 ILE QD 173 VAL HB 3.50 (# 6192:20 Preassigned 2.24, 2.64 A) &rst ixpk= 6192, nxpk= 20, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2597,2598,2599, &end # # 100 GLU HG3 96 MET QG 6.00 (# 6193:20 Preassigned 5.65, 6.99 A) &rst ixpk= 6193, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1470,1471, &end # # 106 ILE QG1 103 MET HG3 6.00 (# 6195:20 Preassigned 2.36, 5.01 A) &rst ixpk= 6195, nxpk= 20, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1614,1615, &end # # 131 LEU QD1 135 GLU QG 4.50 (# 6198:20 Preassigned 2.31, 4.58 A) &rst ixpk= 6198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1996,1997,1998, igr2=2067,2068, &end # # 122 THR QG 163 GLN QB 3.50 (# 6200:20 Preassigned 2.07, 3.79 A) &rst ixpk= 6200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1845,1846,1847, igr2=2477,2478, &end # # 131 LEU QD1 135 GLU QB 4.50 (# 6202:20 Preassigned 3.65, 6.32 A) &rst ixpk= 6202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1996,1997,1998, igr2=2064,2065, &end # # 131 LEU QD2 135 GLU QB 4.50 (# 6203:20 Preassigned 3.74, 5.88 A) &rst ixpk= 6203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2000,2001,2002, igr2=2064,2065, &end # # 164 VAL QG2 168 GLU HB2 3.50 (# 6207:20 Double 0.00, 0.00) &rst ixpk= 6207, nxpk= 20, iat= -1,2553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2500,2501,2502, &end # # 149 VAL QG1 129 LYS QD 3.50 (# 6218:20 Double 0.00, 0.00) &rst ixpk= 6218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2273,2274,2275, igr2=1959,1960, &end # # 128 LEU QD1 128 LEU HG 3.50 (# 6231:20 Preassigned 2.38, 2.65 A) &rst ixpk= 6231, nxpk= 20, iat= -1,1937, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1939,1940,1941, &end # # 164 VAL QG2 153 LEU HG 3.50 (# 6234:20 Preassigned 2.24, 2.66 A) &rst ixpk= 6234, nxpk= 20, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2500,2501,2502, &end # # 140 LEU QQD 152 LEU HG 4.50 (# 6235:20 Double 0.00, 0.00) &rst ixpk= 6235, nxpk= 20, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2144,2145,2146,2148,2149,2150, &end # # 189 LEU QD2 189 LEU HG 3.50 (# 6236:20 Preassigned 2.42, 2.65 A) &rst ixpk= 6236, nxpk= 20, iat= -1,2885, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2891,2892,2893, &end # # 140 LEU QQD 140 LEU HG 3.50 (# 6237:20 Preassigned 2.29, 2.64 A) &rst ixpk= 6237, nxpk= 20, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2144,2145,2146,2148,2149,2150, &end # # 170 ILE QD 170 ILE QG1 3.50 (# 6238:20 Preassigned 2.29, 2.65 A) &rst ixpk= 6238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2597,2598,2599, igr2=2594,2595, &end # # 128 LEU QD2 128 LEU HG 3.50 (# 6245:20 Preassigned 2.31, 2.65 A) &rst ixpk= 6245, nxpk= 20, iat= -1,1937, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1943,1944,1945, &end # # 156 LEU QD2 156 LEU HG 6.00 (# 6248:20 Preassigned 2.21, 2.65 A) &rst ixpk= 6248, nxpk= 20, iat= -1,2396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2402,2403,2404, &end # # 156 LEU QD1 156 LEU HG 6.00 (# 6251:20 Preassigned 2.13, 2.61 A) &rst ixpk= 6251, nxpk= 20, iat= -1,2396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2398,2399,2400, &end # # 169 PHE HE1 173 VAL QG2 4.50 (# 6369:20 Preassigned 2.40, 4.53 A) &rst ixpk= 6369, nxpk= 20, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2649,2650,2651, &end # # 97 THR HB 97 THR QG 3.50 (# 6380:20 Preassigned 2.29, 2.65 A) &rst ixpk= 6380, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1486,1487,1488, &end # # 122 THR HA 122 THR QG 4.50 (# 6385:20 Preassigned 2.43, 3.24 A) &rst ixpk= 6385, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1845,1846,1847, &end # # 144 LYS HA 149 VAL QG1 4.50 (# 6448:20 Double 0.00, 0.00) &rst ixpk= 6448, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2273,2274,2275, &end # # 149 VAL HA 149 VAL QG1 4.50 (# 6451:20 Preassigned 2.48, 3.27 A) &rst ixpk= 6451, nxpk= 20, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2273,2274,2275, &end # # 173 VAL HA 173 VAL QG2 4.50 (# 6452:20 Preassigned 2.13, 2.83 A) &rst ixpk= 6452, nxpk= 20, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2649,2650,2651, &end # # 149 VAL HB 149 VAL QG1 4.50 (# 6457:20 Preassigned 2.28, 2.65 A) &rst ixpk= 6457, nxpk= 20, iat=2271, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2273,2274,2275, &end # # 171 VAL HB 171 VAL QG1 3.50 (# 6460:20 Preassigned 2.45, 2.67 A) &rst ixpk= 6460, nxpk= 20, iat=2607, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2609,2610,2611, &end # # 173 VAL HB 173 VAL QG2 3.50 (# 6462:20 Preassigned 2.24, 2.64 A) &rst ixpk= 6462, nxpk= 20, iat=2643, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2649,2650,2651, &end # # 153 LEU HB3 149 VAL QG1 4.50 (# 6463:20 Preassigned 5.01, 6.29 A) &rst ixpk= 6463, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2273,2274,2275, &end # # 153 LEU HA 153 LEU QD2 3.50 (# 6464:20 Preassigned 3.96, 4.51 A) &rst ixpk= 6464, nxpk= 20, iat=2338, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2349,2350,2351, &end # # 156 LEU HA 156 LEU QD2 4.50 (# 6465:20 Preassigned 3.20, 4.35 A) &rst ixpk= 6465, nxpk= 20, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2402,2403,2404, &end # # 170 ILE HA 173 VAL QG2 4.50 (# 6466:20 Preassigned 3.46, 4.63 A) &rst ixpk= 6466, nxpk= 20, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2649,2650,2651, &end # # 156 LEU HG 156 LEU QD2 3.50 (# 6471:20 Preassigned 2.21, 2.65 A) &rst ixpk= 6471, nxpk= 20, iat=2396, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2402,2403,2404, &end # # 153 LEU HG 153 LEU QD2 3.50 (# 6472:20 Preassigned 2.40, 2.66 A) &rst ixpk= 6472, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2349,2350,2351, &end # # 176 ILE HB 173 VAL QG2 4.50 (# 6473:20 Preassigned 3.48, 4.98 A) &rst ixpk= 6473, nxpk= 20, iat=2679, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2649,2650,2651, &end # # 154 LYS QB 156 LEU QD2 4.50 (# 6474:20 Preassigned 3.75, 5.04 A) &rst ixpk= 6474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2359,2360, igr2=2402,2403,2404, &end # # 125 LYS HB3 124 THR QG 4.50 (# 6476:20 Preassigned 4.36, 5.69 A) &rst ixpk= 6476, nxpk= 20, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1878,1879,1880, &end # # 129 LYS QD 149 VAL QG1 4.50 (# 6477:20 Double 0.00, 0.00) &rst ixpk= 6477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1959,1960, igr2=2273,2274,2275, &end # # 156 LEU HB3 156 LEU QD2 3.50 (# 6483:20 Preassigned 2.36, 3.20 A) &rst ixpk= 6483, nxpk= 20, iat=2394, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2402,2403,2404, &end # # 153 LEU HB3 153 LEU QD2 3.50 (# 6484:20 Preassigned 2.21, 2.88 A) &rst ixpk= 6484, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2349,2350,2351, &end # # 97 THR HA 97 THR QG 4.50 (# 6485:20 Preassigned 2.46, 3.54 A) &rst ixpk= 6485, nxpk= 20, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1486,1487,1488, &end # # 164 VAL HA 164 VAL QG1 4.50 (# 6486:20 Preassigned 2.53, 3.25 A) &rst ixpk= 6486, nxpk= 20, iat=2492, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2496,2497,2498, &end # # 96 MET HA 97 THR QG 6.00 (# 6487:20 Preassigned 3.22, 4.72 A) &rst ixpk= 6487, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1486,1487,1488, &end # # 120 THR HA 120 THR QG 3.50 (# 6488:20 Preassigned 2.48, 3.34 A) &rst ixpk= 6488, nxpk= 20, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1814,1815,1816, &end # # 96 MET HA 97 THR QG 6.00 (# 6489:20 Preassigned 3.22, 4.72 A) &rst ixpk= 6489, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1486,1487,1488, &end # # 120 THR HB 120 THR QG 3.50 (# 6493:20 Double 0.00, 0.00) &rst ixpk= 6493, nxpk= 20, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1814,1815,1816, &end # # 125 LYS HA 124 THR QG 4.50 (# 6494:20 Preassigned 4.86, 5.85 A) &rst ixpk= 6494, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1878,1879,1880, &end # # 149 VAL HA 149 VAL QG2 4.50 (# 6495:20 Preassigned 2.26, 3.05 A) &rst ixpk= 6495, nxpk= 20, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2277,2278,2279, &end # # 170 ILE HA 173 VAL QG1 6.00 (# 6498:20 Preassigned 3.63, 4.45 A) &rst ixpk= 6498, nxpk= 20, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2645,2646,2647, &end # # 155 ASP HB2 156 LEU QD2 6.00 (# 6500:20 Double 0.00, 0.00) &rst ixpk= 6500, nxpk= 20, iat=2381, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2402,2403,2404, &end # # 157 ASP QB 156 LEU QD2 6.00 (# 6503:20 Preassigned 4.59, 6.37 A) &rst ixpk= 6503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=2412,2413, igr2=2402,2403,2404, &end # # 127 GLU QG 124 THR QG 3.50 (# 6505:20 Preassigned 4.15, 4.74 A) &rst ixpk= 6505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1922,1923, igr2=1878,1879,1880, &end # # 100 GLU HB2 97 THR QG 4.50 (# 6507:20 Preassigned 3.06, 4.53 A) &rst ixpk= 6507, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1486,1487,1488, &end # # 164 VAL HB 164 VAL QG1 3.50 (# 6508:20 Preassigned 2.37, 2.64 A) &rst ixpk= 6508, nxpk= 20, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2496,2497,2498, &end # # 156 LEU HB3 164 VAL QG1 4.50 (# 6514:20 Double 0.00, 0.00) &rst ixpk= 6514, nxpk= 20, iat=2394, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2496,2497,2498, &end # # 122 THR HB 122 THR QG 3.50 (# 6516:20 Preassigned 2.33, 2.66 A) &rst ixpk= 6516, nxpk= 20, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1845,1846,1847, &end # # 140 LEU HA 149 VAL QG2 6.00 (# 6517:20 Preassigned 4.49, 6.26 A) &rst ixpk= 6517, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2277,2278,2279, &end # # 177 THR HB 177 THR QG 4.50 (# 6518:20 Preassigned 2.23, 2.64 A) &rst ixpk= 6518, nxpk= 20, iat=2698, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2700,2701,2702, &end # # 177 THR HA 177 THR QG 4.50 (# 6520:20 Preassigned 2.53, 3.35 A) &rst ixpk= 6520, nxpk= 20, iat=2696, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2700,2701,2702, &end # # 165 ASP HB3 122 THR QG 6.00 (# 6521:20 Preassigned 2.90, 5.12 A) &rst ixpk= 6521, nxpk= 20, iat=2511, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1845,1846,1847, &end # # 149 VAL HB 149 VAL QG2 3.50 (# 6523:20 Preassigned 2.30, 2.66 A) &rst ixpk= 6523, nxpk= 20, iat=2271, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2277,2278,2279, &end # # 168 GLU HB3 164 VAL QG1 4.50 (# 6528:20 Preassigned 2.07, 3.79 A) &rst ixpk= 6528, nxpk= 20, iat=2554, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2496,2497,2498, &end # # 173 VAL HB 173 VAL QG1 3.50 (# 6531:20 Preassigned 2.28, 2.62 A) &rst ixpk= 6531, nxpk= 20, iat=2643, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2645,2646,2647, &end # # 164 VAL HA 164 VAL QG2 6.00 (# 6532:20 Preassigned 2.48, 3.14 A) &rst ixpk= 6532, nxpk= 20, iat=2492, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2500,2501,2502, &end # # 125 LYS HA 164 VAL QG2 6.00 (# 6534:20 Preassigned 4.62, 6.00 A) &rst ixpk= 6534, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2500,2501,2502, &end # # 171 VAL HA 171 VAL QG2 4.50 (# 6535:20 Preassigned 2.41, 3.26 A) &rst ixpk= 6535, nxpk= 20, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2613,2614,2615, &end # # 164 VAL HB 164 VAL QG2 3.50 (# 6538:20 Preassigned 2.21, 2.65 A) &rst ixpk= 6538, nxpk= 20, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2500,2501,2502, &end # # 171 VAL HB 171 VAL QG2 3.50 (# 6539:20 Preassigned 2.35, 2.67 A) &rst ixpk= 6539, nxpk= 20, iat=2607, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2613,2614,2615, &end # # 156 LEU HB3 164 VAL QG2 3.50 (# 6541:20 Preassigned 2.85, 5.25 A) &rst ixpk= 6541, nxpk= 20, iat=2394, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2500,2501,2502, &end # # 102 ALA HA 102 ALA QB 4.50 (# 6556:20 Preassigned 2.21, 2.64 A) &rst ixpk= 6556, nxpk= 20, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1557,1558,1559, &end # # 162 ALA HA 162 ALA QB 3.50 (# 6557:20 Preassigned 2.43, 2.67 A) &rst ixpk= 6557, nxpk= 20, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2467,2468,2469, &end # # 179 ALA HA 179 ALA QB 3.50 (# 6558:20 Preassigned 2.40, 2.66 A) &rst ixpk= 6558, nxpk= 20, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2723,2724,2725, &end # # 98 GLU HA 102 ALA QB 4.50 (# 6559:20 Preassigned 2.95, 5.52 A) &rst ixpk= 6559, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1557,1558,1559, &end # # 159 ASN HB2 158 ALA QB 4.50 (# 6561:20 Double 0.00, 0.00) &rst ixpk= 6561, nxpk= 20, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2424,2425,2426, &end # # 153 LEU HG 162 ALA QB 4.50 (# 6568:20 Preassigned 4.50, 6.18 A) &rst ixpk= 6568, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2467,2468,2469, &end # # 148 ALA HA 148 ALA QB 3.50 (# 6573:20 Preassigned 2.30, 2.61 A) &rst ixpk= 6573, nxpk= 20, iat=2259, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2261,2262,2263, &end # # 176 ILE HA 179 ALA QB 4.50 (# 6574:20 Preassigned 2.12, 3.17 A) &rst ixpk= 6574, nxpk= 20, iat=2677, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2723,2724,2725, &end # # 152 LEU HB2 148 ALA QB 4.50 (# 6581:20 Preassigned 4.93, 6.01 A) &rst ixpk= 6581, nxpk= 20, iat=2321, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2261,2262,2263, &end # # 101 ALA HA 101 ALA QB 3.50 (# 6587:20 Preassigned 2.26, 2.64 A) &rst ixpk= 6587, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1547,1548,1549, &end # # 175 ALA HA 175 ALA QB 3.50 (# 6590:20 Preassigned 2.41, 2.66 A) &rst ixpk= 6590, nxpk= 20, iat=2667, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2669,2670,2671, &end # # 174 ALA HA 174 ALA QB 3.50 (# 6591:20 Preassigned 2.33, 2.63 A) &rst ixpk= 6591, nxpk= 20, iat=2657, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2659,2660,2661, &end # # 96 MET QG 101 ALA QB 6.00 (# 6598:20 Preassigned 2.22, 3.70 A) &rst ixpk= 6598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1470,1471, igr2=1547,1548,1549, &end # # 100 GLU HB2 101 ALA QB 4.50 (# 6600:20 Preassigned 4.16, 5.55 A) &rst ixpk= 6600, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1547,1548,1549, &end # # 108 ASP HA 107 ILE QG2 6.00 (# 6608:20 Preassigned 3.53, 4.77 A) &rst ixpk= 6608, nxpk= 20, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1629,1630,1631, &end # # 104 GLY HA2 107 ILE QG2 4.50 (# 6612:20 Preassigned 2.98, 4.71 A) &rst ixpk= 6612, nxpk= 20, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1629,1630,1631, &end # # 107 ILE HA 107 ILE QG2 4.50 (# 6615:20 Preassigned 2.75, 3.47 A) &rst ixpk= 6615, nxpk= 20, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1629,1630,1631, &end # # 167 SER HA 170 ILE QG2 4.50 (# 6616:20 Unique 2.20, 2.98 A) &rst ixpk= 6616, nxpk= 20, iat=2540, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2590,2591,2592, &end # # 171 VAL HA 170 ILE QG2 4.50 (# 6617:20 Preassigned 3.38, 4.58 A) &rst ixpk= 6617, nxpk= 20, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2590,2591,2592, &end # # 170 ILE HA 170 ILE QG2 4.50 (# 6618:20 Preassigned 3.64, 3.93 A) &rst ixpk= 6618, nxpk= 20, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2590,2591,2592, &end # # 107 ILE HB 107 ILE QG2 4.50 (# 6623:20 Preassigned 2.37, 2.63 A) &rst ixpk= 6623, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1629,1630,1631, &end # # 170 ILE HB 170 ILE QG2 4.50 (# 6628:20 Preassigned 2.23, 2.66 A) &rst ixpk= 6628, nxpk= 20, iat=2588, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2590,2591,2592, &end # # 103 MET HA 106 ILE QD 6.00 (# 6656:20 Preassigned 2.10, 4.36 A) &rst ixpk= 6656, nxpk= 20, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1617,1618,1619, &end # # 106 ILE HA 106 ILE QD 6.00 (# 6660:20 Preassigned 2.77, 4.18 A) &rst ixpk= 6660, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1617,1618,1619, &end # # 103 MET HB3 106 ILE QD 4.50 (# 6669:20 Preassigned 4.45, 6.34 A) &rst ixpk= 6669, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1617,1618,1619, &end # # 106 ILE QG1 173 VAL QG2 4.50 (# 6785:20 Double 0.00, 0.00) &rst ixpk= 6785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1614,1615, igr2=2649,2650,2651, &end # # 156 LEU QD1 164 VAL QG1 3.50 (# 6806:20 Preassigned 2.09, 3.71 A) &rst ixpk= 6806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2398,2399,2400, igr2=2496,2497,2498, &end # # 106 ILE QD 102 ALA QB 4.50 (# 6826:20 Preassigned 2.81, 5.45 A) &rst ixpk= 6826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1617,1618,1619, igr2=1557,1558,1559, &end # # 149 VAL QG2 148 ALA QB 3.50 (# 6827:20 Preassigned 4.02, 6.13 A) &rst ixpk= 6827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2277,2278,2279, igr2=2261,2262,2263, &end # # 170 ILE QD 106 ILE QD 4.50 (# 6876:20 Preassigned 2.66, 5.33 A) &rst ixpk= 6876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=2597,2598,2599, igr2=1617,1618,1619, &end # # 129 LYS HB3 126 GLY QA 4.50 (# 6949:20 Preassigned 2.32, 4.07 A) &rst ixpk= 6949, nxpk= 20, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1910,1911, &end # # 112 ARG HG3 112 ARG HD3 4.50 (# 6950:20 Preassigned 2.36, 2.83 A) &rst ixpk= 6950, nxpk= 20, iat=1709,1712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 173 VAL HB 172 PHE HB3 6.00 (# 6951:20 Preassigned 4.25, 4.85 A) &rst ixpk= 6951, nxpk= 20, iat=2643,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 177 THR HB 177 THR HA 4.50 (# 6952:20 Unique 2.37, 2.57 A) &rst ixpk= 6952, nxpk= 20, iat=2698,2696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 127 GLU QG 123 LEU HB3 6.00 (# 6953:20 Preassigned 2.22, 3.60 A) &rst ixpk= 6953, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1922,1923, &end # # 189 LEU QD1 189 LEU HA 4.50 (# 6954:20 Preassigned 2.37, 4.05 A) &rst ixpk= 6954, nxpk= 20, iat= -1,2880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2887,2888,2889, &end # # 154 LYS HG2 157 ASP QB 4.50 (# 6957:20 Preassigned 4.04, 4.81 A) &rst ixpk= 6957, nxpk= 20, iat=2362, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2412,2413, &end # # 131 LEU HB3 132 MET HG2 6.00 (# 6958:20 Preassigned 2.57, 3.64 A) &rst ixpk= 6958, nxpk= 20, iat=1992,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 101 ALA QB 96 MET QG 4.50 (# 6960:20 Preassigned 2.22, 3.70 A) &rst ixpk= 6960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1547,1548,1549, igr2=1470,1471, &end # # 128 LEU QD1 132 MET HG2 6.00 (# 6962:20 Double 0.00, 0.00) &rst ixpk= 6962, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1939,1940,1941, &end # # 100 GLU HB3 97 THR QG 3.50 (# 6965:20 Preassigned 3.51, 5.62 A) &rst ixpk= 6965, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1486,1487,1488, &end # # 161 ASP HB3 162 ALA QB 6.00 (# 6968:20 Preassigned 4.17, 6.26 A) &rst ixpk= 6968, nxpk= 20, iat=2456, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2467,2468,2469, &end # # 170 ILE HB 171 VAL QG2 4.50 (# 6969:20 Double 0.00, 0.00) &rst ixpk= 6969, nxpk= 20, iat=2588, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2613,2614,2615, &end # # 98 GLU HG3 98 GLU HA 3.50 (# 6970:20 Preassigned 2.31, 2.90 A) &rst ixpk= 6970, nxpk= 20, iat=1502,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 156 LEU HB2 159 ASN HB3 4.50 (# 6972:20 Unique 2.23, 4.93 A) &rst ixpk= 6972, nxpk= 20, iat=2393,2435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 149 VAL QG2 132 MET HG3 3.50 (# 6973:20 Double 0.00, 0.00) &rst ixpk= 6973, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2277,2278,2279, &end # # 140 LEU HB3 137 PRO HA 4.50 (# 6974:20 Preassigned 5.42, 6.68 A) &rst ixpk= 6974, nxpk= 20, iat=2140,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # # 135 GLU QB 5 GLU HN 4.50 (# 2825:10 Preassigned 4.32, 5.12 A) &rst ixpk= 2825, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, iat= -1, 69, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55, ifvari= 1, nstep1= 0, nstep2= 20000, rk2=40.0, rk3=40.0, rk2a=40.0, rk3a=40.0, ir6=1, ialtd=0, igr1=2064,2065, &end # # 176 ILE QG2 5 GLU HN 4.50 (# 3364:10 Preassigned 6.64, 7.24 A) &rst ixpk= 3364, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1, 69, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2681,2682,2683, &end # # 173 VAL QG1 8 MET HN 4.50 (# 3731:10 Preassigned 5.17, 5.50 A) &rst ixpk= 3731, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1, 104, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2645,2646,2647, &end # # 106 ILE QD 7 ALA HN 4.50 (# 3983:10 Preassigned 3.97, 4.93 A) &rst ixpk= 3983, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1, 94, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1617,1618,1619, &end # # 135 GLU HA 3 GLU HN 4.50 (# 4409:10 Preassigned 4.11, 4.11 A) &rst ixpk= 4409, nxpk= 10, iat=2062, 35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, iat=2062, 35, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 135 GLU HA 4 LEU HN 4.50 (# 4572:10 Preassigned 3.84, 3.84 A) &rst ixpk= 4572, nxpk= 10, iat=2062, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, iat=2062, 50, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 40 GLU QB 100 GLU HN 4.50 (# 7927:10 Preassigned 4.32, 5.12 A) &rst ixpk= 7927, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, iat= -1,1528, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 605, 606, &end # # 81 ILE QG2 100 GLU HN 4.50 (# 8466:10 Preassigned 6.64, 7.24 A) &rst ixpk= 8466, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1,1528, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1222,1223,1224, &end # # 78 VAL QG1 103 MET HN 4.50 (# 8833:10 Preassigned 5.17, 5.50 A) &rst ixpk= 8833, nxpk= 10, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1,1563, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1186,1187,1188, &end # # 11 ILE QD 102 ALA HN 4.50 (# 9085:10 Preassigned 4.57, 5.48 A) &rst ixpk= 9085, nxpk= 10, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1,1553, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 158, 159, 160, &end # # 40 GLU HA 98 GLU HN 4.50 (# 9511:10 Preassigned 4.11, 4.11 A) &rst ixpk= 9511, nxpk= 10, iat= 603,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, iat= 603,1494, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 40 GLU HA 99 LEU HN 4.50 (# 9674:10 Preassigned 3.84, 3.84 A) &rst ixpk= 9674, nxpk= 10, iat= 603,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, iat= 603,1509, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 103 MET HG2 82 THR HB 6.00 (# 259:20 Preassigned 4.46, 4.46 A) &rst ixpk= 259, nxpk= 20, iat=1570,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat=1570,1239, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, rk2=40.0, rk3=40.0, rk2a=40.0, rk3a=40.0, ir6=1, ialtd=0, &end # # 103 MET HG3 82 THR HA 6.00 (# 288:20 Preassigned 5.94, 5.94 A) &rst ixpk= 288, nxpk= 20, iat=1571,1237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat=1571,1237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 170 ILE QD 82 THR HB 6.00 (# 501:20 Preassigned 2.48, 3.16 A) &rst ixpk= 501, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1,1239, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2597,2598,2599, &end # # 170 ILE QG2 82 THR HB 6.00 (# 505:20 Preassigned 4.15, 5.04 A) &rst ixpk= 505, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1,1239, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2590,2591,2592, &end # # 170 ILE HA 79 ALA HA 6.00 (# 935:20 Preassigned 5.36, 5.36 A) &rst ixpk= 935, nxpk= 20, iat=2586,1198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat=2586,1198, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 100 GLU HB2 40 GLU HA 6.00 (# 939:20 Preassigned 5.93, 5.93 A) &rst ixpk= 939, nxpk= 20, iat=1532, 603, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat=1532, 603, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 97 THR QG 40 GLU HA 6.00 (# 942:20 Preassigned 2.37, 3.25 A) &rst ixpk= 942, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1, 603, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1486,1487,1488, &end # # 103 MET HG2 79 ALA HA 6.00 (# 956:20 Preassigned 5.37, 5.37 A) &rst ixpk= 956, nxpk= 20, iat=1570,1198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat=1570,1198, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 97 THR QG 42 PRO HD2 6.00 (# 1088:20 Preassigned 2.62, 3.26 A) &rst ixpk= 1088, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1, 636, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1486,1487,1488, &end # # 100 GLU HG3 40 GLU HA 6.00 (# 1290:20 Preassigned 4.73, 4.73 A) &rst ixpk= 1290, nxpk= 20, iat=1536, 603, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat=1536, 603, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 170 ILE QG2 79 ALA HA 4.50 (# 1296:20 Preassigned 4.06, 4.56 A) &rst ixpk= 1296, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1,1198, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2590,2591,2592, &end # # 177 THR QG 71 PHE QB 6.00 (# 2342:20 Preassigned 6.73, 7.88 A) &rst ixpk= 2342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 8.09, r4a= 8.59, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2700,2701,2702, igr2=1063,1064, &end # # 176 ILE QG2 5 GLU HG2 4.50 (# 2356:20 Preassigned 6.35, 6.69 A) &rst ixpk= 2356, nxpk= 20, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1, 76, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2681,2682,2683, &end # # 100 GLU HG2 78 VAL QG1 4.50 (# 2362:20 Preassigned 5.59, 6.75 A) &rst ixpk= 2362, nxpk= 20, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat=1535, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1186,1187,1188, &end # # 173 VAL QG1 5 GLU HG3 6.00 (# 2363:20) &rst ixpk= 2363, nxpk= 20, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1, 77, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2645,2646,2647, &end # # 177 THR QG 8 MET HG2 4.50 (# 2460:20 Preassigned 4.00, 4.52 A) &rst ixpk= 2460, nxpk= 20, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1, 111, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2700,2701,2702, &end # # 109 VAL QQG 3 GLU QB 4.50 (# 2468:20 Preassigned 2.43, 4.86 A) &rst ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.81, r4a= 7.31, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1660,1661,1662,1664,1665,1666, igr2= 39, 40, &end # # 134 LYS HA 2 THR QG 6.00 (# 2754:20 Preassigned 4.77, 5.32 A) &rst ixpk= 2754, nxpk= 20, iat=2040, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat=2040, -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr2= 27, 28, 29, &end # # 137 PRO HD2 2 THR QG 4.50 (# 2759:20 Preassigned 2.62, 3.26 A) &rst ixpk= 2759, nxpk= 20, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat=2095, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2= 27, 28, 29, &end # # 137 PRO HD3 2 THR QG 4.50 (# 2760:20 Preassigned 2.53, 3.37 A) &rst ixpk= 2760, nxpk= 20, iat=2096, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat=2096, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2= 27, 28, 29, &end # # 137 PRO HB3 2 THR QG 4.50 (# 2773:20 Preassigned 5.41, 6.46 A) &rst ixpk= 2773, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat=2102, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2= 27, 28, 29, &end # # 105 MET QB 7 ALA QB 4.50 (# 2825:20 Preassigned 2.39, 3.74 A) &rst ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1591,1592, igr2= 98, 99, 100, &end # # 105 MET HG2 7 ALA QB 4.50 (# 2828:20 Preassigned 2.38, 3.39 A) &rst ixpk= 2828, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat=1594, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2= 98, 99, 100, &end # # 105 MET HG3 7 ALA QB 4.50 (# 2830:20 Preassigned 3.90, 4.90 A) &rst ixpk= 2830, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat=1595, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2= 98, 99, 100, &end # # 174 ALA HA 75 ILE QG2 6.00 (# 2877:20 Preassigned 4.06, 4.56 A) &rst ixpk= 2877, nxpk= 20, iat=2657, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat=2657, -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1131,1132,1133, &end # # 102 ALA QB 11 ILE QD 4.50 (# 2937:20 Preassigned 3.34, 4.77 A) &rst ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.49, r4a= 6.99, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1557,1558,1559, igr2= 158, 159, 160, &end # # 170 ILE QG2 79 ALA QB 3.50 (# 3101:20 Preassigned 2.59, 4.51 A) &rst ixpk= 3101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=2590,2591,2592, igr2=1200,1201,1202, &end # # 106 ILE QG1 7 ALA QB 4.50 (# 3230:20 Preassigned 2.22, 3.12 A) &rst ixpk= 3230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1614,1615, igr2= 98, 99, 100, &end # # 8 MET HG2 177 THR HB 6.00 (# 3996:20 Preassigned 4.46, 4.46 A) &rst ixpk= 3996, nxpk= 20, iat= 111,2698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat= 111,2698, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 8 MET HG3 177 THR HA 6.00 (# 4025:20 Preassigned 5.94, 5.94 A) &rst ixpk= 4025, nxpk= 20, iat= 112,2696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat= 112,2696, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 75 ILE QD 177 THR HB 6.00 (# 4238:20 Preassigned 2.48, 3.16 A) &rst ixpk= 4238, nxpk= 20, iat= -1,2698, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1,2698, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1138,1139,1140, &end # # 75 ILE QG2 177 THR HB 6.00 (# 4242:20 Preassigned 4.15, 5.04 A) &rst ixpk= 4242, nxpk= 20, iat= -1,2698, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1,2698, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1131,1132,1133, &end # # 75 ILE HA 174 ALA HA 6.00 (# 4672:20 Preassigned 5.36, 5.36 A) &rst ixpk= 4672, nxpk= 20, iat=1127,2657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat=1127,2657, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 5 GLU HB2 135 GLU HA 6.00 (# 4676:20 Preassigned 5.93, 5.93 A) &rst ixpk= 4676, nxpk= 20, iat= 73,2062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat= 73,2062, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 2 THR QG 135 GLU HA 6.00 (# 4679:20 Preassigned 2.37, 3.25 A) &rst ixpk= 4679, nxpk= 20, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1,2062, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 27, 28, 29, &end # # 8 MET HG2 174 ALA HA 6.00 (# 4693:20 Preassigned 5.37, 5.37 A) &rst ixpk= 4693, nxpk= 20, iat= 111,2657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat= 111,2657, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 2 THR QG 137 PRO HD2 6.00 (# 4825:20 Preassigned 2.62, 3.26 A) &rst ixpk= 4825, nxpk= 20, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1,2095, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 27, 28, 29, &end # # 5 GLU HG3 135 GLU HA 6.00 (# 5027:20 Preassigned 4.73, 4.73 A) &rst ixpk= 5027, nxpk= 20, iat= 77,2062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, iat= 77,2062, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50, ifvari= 1, nstep1= 0, nstep2= 20000, &end # # 75 ILE QG2 174 ALA HA 4.50 (# 5033:20 Preassigned 4.06, 4.56 A) &rst ixpk= 5033, nxpk= 20, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1,2657, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1131,1132,1133, &end # # 82 THR QG 166 PHE QB 6.00 (# 6079:20 Preassigned 6.73, 7.88 A) &rst ixpk= 6079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 8.09, r4a= 8.59, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1241,1242,1243, igr2=2522,2523, &end # # 81 ILE QG2 100 GLU HG2 4.50 (# 6093:20 Preassigned 6.35, 6.69 A) &rst ixpk= 6093, nxpk= 20, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1,1535, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1222,1223,1224, &end # # 5 GLU HG2 173 VAL QG1 4.50 (# 6099:20 Preassigned 5.59, 6.75 A) &rst ixpk= 6099, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= 76, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=2645,2646,2647, &end # # 78 VAL QG1 100 GLU HG3 6.00 (# 6100:20 0.00, 0.00) &rst ixpk= 6100, nxpk= 20, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= -1,1536, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1186,1187,1188, &end # # 82 THR QG 103 MET HG2 4.50 (# 6197:20 Preassigned 4.00, 4.52 A) &rst ixpk= 6197, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= -1,1570, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1241,1242,1243, &end # # 14 VAL QQG 98 GLU QB 4.50 (# 6205:20 Preassigned 2.43, 4.86 A) &rst ixpk= 6205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.81, r4a= 7.31, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 201, 202, 203, 205, 206, 207, igr2=1498,1499, &end # # 39 LYS HA 97 THR QG 6.00 (# 6491:20 Preassigned 4.77, 5.32 A) &rst ixpk= 6491, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat= 581, -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1486,1487,1488, &end # # 42 PRO HD2 97 THR QG 4.50 (# 6496:20 Preassigned 2.62, 3.26 A) &rst ixpk= 6496, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= 636, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1486,1487,1488, &end # # 42 PRO HD3 97 THR QG 4.50 (# 6497:20 Preassigned 2.53, 3.37 A) &rst ixpk= 6497, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= 637, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1486,1487,1488, &end # # 42 PRO HB3 97 THR QG 4.50 (# 6510:20 Preassigned 5.41, 6.46 A) &rst ixpk= 6510, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= 643, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1486,1487,1488, &end # # 10 MET QB 102 ALA QB 4.50 (# 6562:20 Preassigned 2.39, 3.74 A) &rst ixpk= 6562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 132, 133, igr2=1557,1558,1559, &end # # 10 MET HG2 102 ALA QB 4.50 (# 6565:20 Preassigned 2.38, 3.39 A) &rst ixpk= 6565, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= 135, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1557,1558,1559, &end # # 10 MET HG3 102 ALA QB 4.50 (# 6567:20 Preassigned 3.90, 4.90 A) &rst ixpk= 6567, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, iat= 136, -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=1557,1558,1559, &end # # 79 ALA HA 170 ILE QG2 6.00 (# 6614:20 Preassigned 4.06, 4.56 A) &rst ixpk= 6614, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, iat=1198, -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71, ifvari= 1, nstep1= 0, nstep2= 20000, igr2=2590,2591,2592, &end # # 7 ALA QB 106 ILE QD 4.50 (# 6674:20 Preassigned 3.34, 4.77 A) &rst ixpk= 6674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.49, r4a= 6.99, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 98, 99, 100, igr2=1617,1618,1619, &end # # 75 ILE QG2 174 ALA QB 3.50 (# 6838:20 Preassigned 2.59, 4.51 A) &rst ixpk= 6838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55, ifvari= 1, nstep1= 0, nstep2= 20000, igr1=1131,1132,1133, igr2=2659,2660,2661, &end # # 11 ILE QG1 102 ALA QB 4.50 (# 6967:20 Preassigned 2.22, 3.12 A) &rst ixpk= 6967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, iat= -1, -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57, ifvari= 1, nstep1= 0, nstep2= 20000, igr1= 155, 156, igr2=1557,1558,1559, &end
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