NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
582793 |
2mn5   |
19880 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 13 SER HB2 17 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr2= 237, 238, 239,
&end
#
# 5 THR HA 21 HIs HE1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 56, 301, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 5 THR HA 27 ARG HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 56, 385, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 5 THR HA 5 THR QG2 2.79
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 60, 61, 62,
&end
#
# 5 THR HA 27 ARG HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 56, 386, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 6 ARG HA 6 ARG HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 70, 76, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 46 THR QG2 47 THR H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 642, 643, 644,
&end
#
# 13 SER HB3 17 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 237, 238, 239,
&end
#
# 39 GLN HG2 51 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 711, 712, 713,
&end
#
# 38 ALA HA 51 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 711, 712, 713,
&end
#
# 51 ILE HA 51 ILE QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 711, 712, 713,
&end
#
# 40 CYS HA 48 CYS HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 561, 666, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 53 PRO HB2 55 PRO HD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 738, 756, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 7 ARG H 9 LEU HG 5.48
&rst
ixpk= 0, nxpk= 0, iat= 92, 130, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 39 GLN HA 41 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 575, 576, 577,
&end
#
# 39 GLN HA 51 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HA 11 VAL QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 162, 163, 164,
&end
#
# 33 VAL QG2 54 CYS HB3 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 467, 468, 469,
&end
#
# 33 VAL QG2 34 ARG HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 467, 468, 469,
&end
#
# 32 CYS HA 33 VAL QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 467, 468, 469,
&end
#
# 26 HIs HE1 33 VAL QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 467, 468, 469,
&end
#
# 15 LEU QD2 39 GLN HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 213, 214, 215,
&end
#
# 51 ILE H 51 ILE HG13 4.48
&rst
ixpk= 0, nxpk= 0, iat= 698, 709, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 ALA HA 51 ILE HG13 4.02
&rst
ixpk= 0, nxpk= 0, iat= 534, 709, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 51 ILE H 51 ILE QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 704, 705, 706,
&end
#
# 51 ILE QG2 51 ILE HG13 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 704, 705, 706,
&end
#
# 37 ASN HB3 51 ILE QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 704, 705, 706,
&end
#
# 38 ALA HA 51 ILE QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 704, 705, 706,
&end
#
# 36 SER HB3 51 ILE QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 704, 705, 706,
&end
#
# 49 THR HA 49 THR QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 680, 681, 682,
&end
#
# 27 ARG HA 27 ARG HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 3 CYS HB2 4 PRO HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 34, 41, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU HA 9 LEU HG 4.09
&rst
ixpk= 0, nxpk= 0, iat= 125, 130, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 9 LEU HA 17 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 237, 238, 239,
&end
#
# 15 LEU QD1 18 CYS HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 209, 210, 211,
&end
#
# 15 LEU HA 18 CYS HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 202, 247, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 33 VAL QG1 56 ARG QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 463, 464, 465,
igr2= 779, 780,
&end
#
# 56 ARG HA 56 ARG QD 3.99
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 779, 780,
&end
#
# 56 ARG HB2 56 ARG QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 779, 780,
&end
#
# 38 ALA HA 51 ILE HG12 3.59
&rst
ixpk= 0, nxpk= 0, iat= 534, 708, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 38 ALA HA 50 CYS HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 534, 690, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 ARG QB 57 CYS HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 477, 478,
&end
#
# 52 ASN HA 53 PRO HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 719, 741, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 52 ASN HB2 53 PRO HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= 721, 741, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 37 ASN HB3 51 ILE HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 523, 702, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 17 ALA QB 18 CYS H 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 237, 238, 239,
&end
#
# 9 LEU HB2 17 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 237, 238, 239,
&end
#
# 17 ALA QB 20 ASN QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238, 239,
igr2= 281, 282,
&end
#
# 9 LEU HB3 17 ALA QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 237, 238, 239,
&end
#
# 15 LEU HB3 15 LEU QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 213, 214, 215,
&end
#
# 54 CYS HA 55 PRO HD2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 747, 756, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 35 CYS HB2 54 CYS HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 501, 747, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 36 SER HB2 51 ILE QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 704, 705, 706,
&end
#
# 53 PRO HB3 55 PRO HD3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 739, 757, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 33 VAL QG2 54 CYS HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 467, 468, 469,
&end
#
# 33 VAL QG1 54 CYS HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 463, 464, 465,
&end
#
# 33 VAL HB 54 CYS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 461, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 PRO HB2 55 PRO HD3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 738, 757, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 54 CYS HA 55 PRO HD3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 747, 757, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 49 THR QG2 50 CYS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 680, 681, 682,
&end
#
# 38 ALA QB 50 CYS HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 536, 537, 538,
&end
#
# 39 GLN HB3 51 ILE HG12 4.22
&rst
ixpk= 0, nxpk= 0, iat= 547, 708, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 33 VAL QG1 54 CYS HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 463, 464, 465,
&end
#
# 22 CYS HB3 35 CYS HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 313, 501, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 30 VAL HA 30 VAL QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 434, 435, 436,
&end
#
# 15 LEU QD1 39 GLN HA 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 209, 210, 211,
&end
#
# 15 LEU QD1 18 CYS HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 209, 210, 211,
&end
#
# 15 LEU HB2 15 LEU QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 209, 210, 211,
&end
#
# 9 LEU QD2 13 SER HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 136, 137, 138,
&end
#
# 9 LEU QD2 18 CYS HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 136, 137, 138,
&end
#
# 9 LEU QD2 13 SER HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 136, 137, 138,
&end
#
# 9 LEU QD2 17 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 136, 137, 138,
igr2= 237, 238, 239,
&end
#
# 9 LEU HB3 9 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 136, 137, 138,
&end
#
# 37 ASN HB2 51 ILE QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 704, 705, 706,
&end
#
# 4 PRO HD2 26 HIs HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 41, 367, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 33 VAL QG1 56 ARG HA 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 463, 464, 465,
&end
#
# 5 THR QG2 6 ARG HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 60, 61, 62,
&end
#
# 19 ARG HA 38 ALA QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 536, 537, 538,
&end
#
# 19 ARG HA 19 ARG QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 260, 261,
&end
#
# 19 ARG HA 22 CYS HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 255, 312, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 34 ARG HA 35 CYS HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 475, 501, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 35 CYS HA 55 PRO HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 499, 756, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 17 ALA HA 20 ASN QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 281, 282,
&end
#
# 15 LEU HA 15 LEU QD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 213, 214, 215,
&end
#
# 15 LEU HA 18 CYS HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 LEU HA 15 LEU HG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 30 VAL HA 30 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 430, 431, 432,
&end
#
# 33 VAL HA 33 VAL QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 467, 468, 469,
&end
#
# 33 VAL HA 33 VAL QG1 2.92
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 463, 464, 465,
&end
#
# 34 ARG H 55 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 473, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HA 32 CYS HA 3.55
&rst
ixpk= 0, nxpk= 0, iat= 383, 449, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 35 CYS HB2 50 CYS HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 501, 693, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 7 ARG HA 7 ARG HD2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 94, 102, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 33 VAL HB 54 CYS HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 461, 750, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 15 LEU HB2 16 THR H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 6 ARG HA 6 ARG HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 70, 78, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 6 ARG HB3 6 ARG HD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 73, 78, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 11 VAL HA 11 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 158, 159, 160,
&end
#
# 47 THR H 47 THR QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 656, 657, 658,
&end
#
# 37 ASN HA 38 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 536, 537, 538,
&end
#
# 22 CYS HB3 35 CYS HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 313, 502, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 35 CYS HB3 50 CYS HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 502, 693, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 39 GLN HG2 41 THR QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 575, 576, 577,
&end
#
# 41 THR QG2 49 THR HB 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 575, 576, 577,
&end
#
# 39 GLN HG3 41 THR QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 575, 576, 577,
&end
#
# 4 PRO HD2 26 HIs HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= 41, 365, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 52 ASN HB3 53 PRO HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= 722, 741, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 51 ILE HA 51 ILE HG13 4.07
&rst
ixpk= 0, nxpk= 0, iat= 700, 709, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 51 ILE HA 51 ILE QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 704, 705, 706,
&end
#
# 28 GLY HA3 33 VAL QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 467, 468, 469,
&end
#
# 5 THR QG2 27 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 60, 61, 62,
igr2= 391, 392,
&end
#
# 15 LEU QD1 19 ARG HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 209, 210, 211,
&end
#
# 15 LEU HB2 15 LEU QD2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 213, 214, 215,
&end
#
# 51 ILE HA 51 ILE HG12 4.04
&rst
ixpk= 0, nxpk= 0, iat= 700, 708, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 22 CYS HB3 50 CYS HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 313, 693, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 35 CYS HB2 50 CYS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ARG HG2 37 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 325, 520, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 19 ARG HA 37 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 255, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 CYS HB2 37 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ARG QG 37 ASN HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 260, 261,
&end
#
# 23 ARG HG3 37 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 326, 520, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 19 ARG QG 20 ASN HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 260, 261,
&end
#
# 10 CYS HB2 46 THR HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 146, 638, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 15 LEU HG 16 THR HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 207, 221, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 3 CYS HB3 26 HIs HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= 35, 365, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 3 CYS HB2 26 HIs HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= 34, 365, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 HIs HE1 35 CYS HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 373, 502, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 22 CYS HB3 50 CYS HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 313, 690, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 51 ILE QG2 51 ILE QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 704, 705, 706,
igr2= 711, 712, 713,
&end
#
# 34 ARG QB 57 CYS HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 477, 478,
&end
#
# 9 LEU QD2 21 HIs HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 136, 137, 138,
&end
#
# 44 LEU HB2 46 THR QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 642, 643, 644,
&end
#
# 44 LEU HB3 46 THR QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 642, 643, 644,
&end
#
# 6 ARG HD2 9 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 136, 137, 138,
&end
#
# 22 CYS HA 26 HIs HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 310, 368, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 CYS HA 38 ALA QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 536, 537, 538,
&end
#
# 25 CYS HB2 34 ARG QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 477, 478,
&end
#
# 25 CYS HB3 34 ARG QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 477, 478,
&end
#
# 35 CYS HA 55 PRO HD3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 499, 757, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 3 CYS HB2 4 PRO HD3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 34, 42, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 9 LEU HB2 48 CYS HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 127, 668, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 50 CYS HB2 51 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 692, 698, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 35 CYS HB3 50 CYS HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 502, 692, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 22 CYS HB3 50 CYS HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 313, 692, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 22 CYS HB2 50 CYS HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 312, 693, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 54 CYS HA 55 PRO HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 33 VAL HB 54 CYS HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 461, 747, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 ASN H 51 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 704, 705, 706,
&end
#
# 34 ARG H 54 CYS HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 473, 750, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 ALA H 38 ALA QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 536, 537, 538,
&end
#
# 38 ALA H 51 ILE HG13 3.95
&rst
ixpk= 0, nxpk= 0, iat= 532, 709, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 38 ALA H 51 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 711, 712, 713,
&end
#
# 5 THR HB 6 ARG H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 58, 68, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 30 VAL HA 31 GLY H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 426, 440, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 31 GLY H 33 VAL QG1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 463, 464, 465,
&end
#
# 30 VAL QG2 31 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 434, 435, 436,
&end
#
# 28 GLY H 31 GLY H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 405, 440, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 30 VAL QG1 31 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 430, 431, 432,
&end
#
# 16 THR QG2 20 ASN HD21 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 225, 226, 227,
&end
#
# 41 THR QG2 49 THR H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 575, 576, 577,
&end
#
# 25 CYS HB2 26 HIs H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 357, 363, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 26 HIs H 33 VAL H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 363, 457, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 25 CYS HB3 26 HIs H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 358, 363, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 38 ALA H 39 GLN H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 532, 542, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 37 ASN HD21 38 ALA H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 41 THR H 48 CYS HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= 569, 666, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 THR H 49 THR H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 569, 674, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 19 ARG H 19 ARG QG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 260, 261,
&end
#
# 9 LEU QD1 18 CYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 132, 133, 134,
&end
#
# 15 LEU QD1 18 CYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 209, 210, 211,
&end
#
# 3 CYS H 4 PRO HD3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 30, 42, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 2 ASN HB2 3 CYS H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 20, 30, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 ASP HB3 30 VAL H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 417, 424, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 30 VAL H 30 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 434, 435, 436,
&end
#
# 30 VAL H 30 VAL QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 430, 431, 432,
&end
#
# 30 VAL H 30 VAL HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP HB2 30 VAL H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 57 CYS H 57 CYS HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 15 LEU HB3 16 THR H 3.38
&rst
ixpk= 0, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 16 THR H 16 THR HB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 9 LEU QD1 21 HIs H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 132, 133, 134,
&end
#
# 39 GLN H 39 GLN HG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 542, 549, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 LEU QD1 39 GLN H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 209, 210, 211,
&end
#
# 39 GLN H 39 GLN HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 542, 550, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 11 VAL H 11 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 49 THR QG2 50 CYS H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 680, 681, 682,
&end
#
# 12 THR QG2 13 SER H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 174, 175, 176,
&end
#
# 12 THR HB 13 SER H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 27 ARG HA 33 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 383, 457, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 33 VAL H 33 VAL QG1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 463, 464, 465,
&end
#
# 17 ALA H 17 ALA QB 2.71
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 237, 238, 239,
&end
#
# 20 ASN QB 20 ASN HD22 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 281, 282,
&end
#
# 34 ARG H 34 ARG HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 473, 480, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 34 ARG H 54 CYS HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 473, 747, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 33 VAL QG1 34 ARG H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 463, 464, 465,
&end
#
# 33 VAL HA 34 ARG H 2.97
&rst
ixpk= 0, nxpk= 0, iat= 459, 473, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 37 ASN H 37 ASN HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 35 CYS HB2 37 ASN H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 501, 518, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 39 GLN HG2 40 CYS H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 549, 559, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 39 GLN HB3 40 CYS H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 547, 559, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 15 LEU H 15 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 213, 214, 215,
&end
#
# 15 LEU H 15 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 200, 207, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 26 HIs HB3 27 ARG H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 368, 381, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 55 PRO HA 56 ARG H 2.74
&rst
ixpk= 0, nxpk= 0, iat= 765, 769, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 56 ARG H 56 ARG QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 779, 780,
&end
#
# 33 VAL QG1 56 ARG H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 463, 464, 465,
&end
#
# 56 ARG H 56 ARG HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 769, 773, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 38 ALA H 50 CYS HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 532, 690, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 9 LEU HA 12 THR H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 125, 168, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 27 ARG QD 31 GLY H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 391, 392,
&end
#
# 9 LEU HA 13 SER H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 125, 182, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 34 ARG H 55 PRO HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 473, 759, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 HIs H 22 CYS HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 291, 312, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 9 LEU H 17 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 237, 238, 239,
&end
#
# 8 GLY H 9 LEU HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 116, 127, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 36 SER H 54 CYS HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 507, 747, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 28 GLY HA3 30 VAL H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 408, 424, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 32 CYS H 33 VAL QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 467, 468, 469,
&end
#
# 41 THR H 49 THR HB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 569, 678, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 49 THR HB 50 CYS H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 678, 688, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 22 CYS HB2 51 ILE H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 312, 698, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 37 ASN HB3 51 ILE H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 523, 698, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 22 CYS HB3 51 ILE H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 313, 698, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 37 ASN HB2 51 ILE H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 522, 698, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 39 GLN H 51 ILE HG12 4.07
&rst
ixpk= 0, nxpk= 0, iat= 542, 708, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 37 ASN H 51 ILE HG13 4.66
&rst
ixpk= 0, nxpk= 0, iat= 518, 709, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 39 GLN H 49 THR H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 542, 674, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 ARG QD 57 CYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 779, 780,
&end
#
# 25 CYS H 34 ARG QD 5.32
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 483, 484,
&end
#
# 2 ASN HB3 3 CYS H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 21, 30, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 3 CYS H 4 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 30, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 THR QG2 48 CYS H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 656, 657, 658,
&end
#
# 54 CYS H 55 PRO HD3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 745, 757, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 35 CYS HB3 54 CYS HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 502, 747, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 34 ARG QB 34 ARG HE 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 477, 478,
&end
#
# 16 THR H 16 THR QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 225, 226, 227,
&end
#
# 14 GLY HA3 15 LEU H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 32 CYS HA 33 VAL H 2.74
&rst
ixpk= 0, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 33 VAL H 33 VAL QG2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 467, 468, 469,
&end
#
# 32 CYS QB 33 VAL H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 451, 452,
&end
#
# 33 VAL H 34 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 457, 473, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 16 THR H 17 ALA H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 219, 233, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 16 THR QG2 17 ALA H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 225, 226, 227,
&end
#
# 16 THR HB 17 ALA H 2.81
&rst
ixpk= 0, nxpk= 0, iat= 223, 233, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 13 SER HB3 17 ALA H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 187, 233, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 19 ARG HB2 19 ARG HE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 257, 266, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 19 ARG QG 19 ARG HE 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 260, 261,
&end
#
# 19 ARG HB3 19 ARG HE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 258, 266, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 28 GLY H 33 VAL H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 405, 457, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 28 GLY H 32 CYS HA 3.67
&rst
ixpk= 0, nxpk= 0, iat= 405, 449, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 28 GLY H 33 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 467, 468, 469,
&end
#
# 28 GLY H 33 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 463, 464, 465,
&end
#
# 27 ARG HA 28 GLY H 2.67
&rst
ixpk= 0, nxpk= 0, iat= 383, 405, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 37 ASN H 38 ALA QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 536, 537, 538,
&end
#
# 36 SER HB3 37 ASN H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 512, 518, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 37 ASN H 37 ASN HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 37 ASN H 51 ILE HB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 518, 702, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 35 CYS HB3 37 ASN H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 502, 518, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 22 CYS HB3 37 ASN H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 313, 518, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 36 SER HB2 37 ASN H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 26 HIs H 34 ARG QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 477, 478,
&end
#
# 26 HIs H 33 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 467, 468, 469,
&end
#
# 26 HIs H 26 HIs HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 26 HIs H 26 HIs HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 26 HIs H 27 ARG H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 363, 381, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 22 CYS HB2 23 ARG H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 312, 318, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 23 ARG H 38 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 536, 537, 538,
&end
#
# 20 ASN HA 23 ARG H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 279, 318, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 19 ARG HA 23 ARG H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 255, 318, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 23 ARG H 23 ARG HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 23 ARG H 23 ARG HD3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 318, 329, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 22 CYS HB3 23 ARG H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 23 ARG H 24 SER QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 346, 347,
&end
#
# 23 ARG H 23 ARG HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 318, 325, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 23 ARG H 23 ARG HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 23 ARG H 24 SER H 3.06
&rst
ixpk= 0, nxpk= 0, iat= 318, 342, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 45 GLY H 46 THR H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 629, 636, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 32 CYS H 33 VAL H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 447, 457, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 33 VAL QG2 35 CYS H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 467, 468, 469,
&end
#
# 31 GLY HA3 32 CYS H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 32 CYS H 33 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 463, 464, 465,
&end
#
# 32 CYS H 32 CYS QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 451, 452,
&end
#
# 31 GLY HA2 32 CYS H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 442, 447, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 26 HIs H 26 HIs HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 363, 377, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 26 HIs HD2 33 VAL QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 467, 468, 469,
&end
#
# 26 HIs HB2 26 HIs HD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 367, 377, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 40 CYS HA 41 THR QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 575, 576, 577,
&end
#
# 26 HIs HD2 27 ARG H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 27 ARG H 27 ARG HB3 3.10
&rst
ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 5 THR HA 27 ARG H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 56, 381, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 4 PRO HG2 27 ARG H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 44, 381, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 26 HIs HB2 27 ARG H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 367, 381, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 ARG H 27 ARG HB2 3.10
&rst
ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 55 PRO HB3 56 ARG H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 763, 769, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 56 ARG H 56 ARG HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 769, 777, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 55 PRO HB2 56 ARG H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 762, 769, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 56 ARG H 56 ARG HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 769, 774, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 56 ARG H 56 ARG HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 35 CYS HA 37 ASN H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 499, 518, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 39 GLN HA 39 GLN HE21 5.29
&rst
ixpk= 0, nxpk= 0, iat= 544, 555, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 43 PHE HA 43 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 600, 604,
&end
#
# 42 GLY HA2 43 PHE H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 43 PHE H 43 PHE HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 590, 595, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 42 GLY HA3 43 PHE H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 586, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 43 PHE H 43 PHE HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 26 HIs H 26 HIs HE2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 22 CYS HA 26 HIs HE2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 310, 375, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 26 HIs HB2 26 HIs HE2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 367, 375, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 34 ARG H 34 ARG QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 483, 484,
&end
#
# 34 ARG H 34 ARG HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 473, 481, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 33 VAL QG2 34 ARG H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 467, 468, 469,
&end
#
# 34 ARG H 35 CYS HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 473, 499, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 34 ARG H 34 ARG QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 477, 478,
&end
#
# 33 VAL HB 34 ARG H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 461, 473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 THR H 47 THR H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 569, 650, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 47 THR H 47 THR HB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 46 THR H 47 THR H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 636, 650, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 9 LEU HA 11 VAL H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 125, 152, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 11 VAL H 11 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 162, 163, 164,
&end
#
# 11 VAL H 11 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 158, 159, 160,
&end
#
# 37 ASN H 51 ILE H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 518, 698, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 38 ALA QB 51 ILE H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 536, 537, 538,
&end
#
# 50 CYS HB3 51 ILE H 3.71
&rst
ixpk= 0, nxpk= 0, iat= 693, 698, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 35 CYS HB2 51 ILE H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 501, 698, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 51 ILE H 51 ILE HG12 3.19
&rst
ixpk= 0, nxpk= 0, iat= 698, 708, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 35 CYS HB3 51 ILE H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 502, 698, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 ILE H 51 ILE HB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 50 CYS HA 51 ILE H 2.88
&rst
ixpk= 0, nxpk= 0, iat= 690, 698, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 38 ALA HA 51 ILE H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 534, 698, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 51 ILE H 51 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 711, 712, 713,
&end
#
# 15 LEU QD1 40 CYS H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 209, 210, 211,
&end
#
# 40 CYS H 41 THR H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 559, 569, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 40 CYS H 41 THR QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 575, 576, 577,
&end
#
# 39 GLN HG3 40 CYS H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 38 ALA QB 39 GLN H 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 536, 537, 538,
&end
#
# 39 GLN H 40 CYS HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 542, 561, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 40 CYS HA 47 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 561, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLN H 51 ILE H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 542, 698, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 39 GLN H 49 THR HB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 542, 678, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 39 GLN H 49 THR QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 680, 681, 682,
&end
#
# 39 GLN H 50 CYS HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 542, 690, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 38 ALA HA 39 GLN H 2.81
&rst
ixpk= 0, nxpk= 0, iat= 534, 542, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 39 GLN H 51 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 711, 712, 713,
&end
#
# 6 ARG HB3 6 ARG HE 5.38
&rst
ixpk= 0, nxpk= 0, iat= 73, 81, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 20 ASN H 20 ASN QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 281, 282,
&end
#
# 19 ARG HB2 20 ASN H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 257, 277, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 16 THR QG2 20 ASN H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 225, 226, 227,
&end
#
# 19 ARG QG 20 ASN H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 260, 261,
&end
#
# 20 ASN H 20 ASN HD22 5.08
&rst
ixpk= 0, nxpk= 0, iat= 277, 286, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 20 ASN H 21 HIs HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 277, 295, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 17 ALA HA 20 ASN H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 235, 277, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 19 ARG HB3 20 ASN H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 258, 277, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 19 ARG H 20 ASN H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 253, 277, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 20 ASN H 21 HIs HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 277, 296, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 24 SER HA 25 CYS H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 344, 353, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 25 CYS H 25 CYS HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 24 SER QB 25 CYS H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 346, 347,
&end
#
# 25 CYS H 25 CYS HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 13 SER H 17 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 237, 238, 239,
&end
#
# 13 SER H 13 SER HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 9 LEU H 48 CYS HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 123, 668, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 LEU H 9 LEU HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 8 GLY H 9 LEU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 LEU H 10 CYS H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 9 LEU H 9 LEU HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 123, 128, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 9 LEU H 48 CYS HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 123, 669, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 LEU H 9 LEU HG 3.06
&rst
ixpk= 0, nxpk= 0, iat= 123, 130, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 9 LEU H 9 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 132, 133, 134,
&end
#
# 9 LEU H 9 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 136, 137, 138,
&end
#
# 35 CYS HA 54 CYS HA 3.02
&rst
ixpk= 0, nxpk= 0, iat= 499, 747, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 15 LEU H 15 LEU HB3 2.87
&rst
ixpk= 0, nxpk= 0, iat= 200, 205, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 15 LEU HG 16 THR H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 207, 219, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 15 LEU H 15 LEU QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 209, 210, 211,
&end
#
# 15 LEU QD1 16 THR H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 209, 210, 211,
&end
#
# 15 LEU H 15 LEU HB2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 200, 204, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 14 GLY HA2 15 LEU H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 15 LEU QD2 16 THR H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 213, 214, 215,
&end
#
# 6 ARG H 6 ARG HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 68, 76, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 6 ARG H 6 ARG HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 68, 72, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 6 ARG H 6 ARG HG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 68, 75, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 5 THR HA 6 ARG H 2.71
&rst
ixpk= 0, nxpk= 0, iat= 56, 68, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 5 THR QG2 6 ARG H 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 60, 61, 62,
&end
#
# 38 ALA QB 49 THR H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 536, 537, 538,
&end
#
# 40 CYS HA 49 THR H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 561, 674, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 THR H 49 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 680, 681, 682,
&end
#
# 49 THR H 49 THR HB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 674, 678, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 47 THR QG2 49 THR H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 656, 657, 658,
&end
#
# 48 CYS HA 49 THR H 2.73
&rst
ixpk= 0, nxpk= 0, iat= 666, 674, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 48 CYS HB3 49 THR H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 669, 674, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 9 LEU HB2 10 CYS H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 10 CYS H 11 VAL H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 9 LEU HB3 10 CYS H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 128, 142, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 10 CYS H 11 VAL HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 142, 154, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 35 CYS HA 36 SER H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 499, 507, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 36 SER H 36 SER HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat= 507, 512, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 35 CYS HB2 36 SER H 2.91
&rst
ixpk= 0, nxpk= 0, iat= 501, 507, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 35 CYS HB3 36 SER H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 36 SER H 36 SER HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 38 ALA H 39 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ARG HE 38 ALA H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 266, 532, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 37 ASN H 38 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 518, 532, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 LEU QD1 38 ALA H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 209, 210, 211,
&end
#
# 38 ALA H 51 ILE HB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 532, 702, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 19 ARG QG 38 ALA H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 260, 261,
&end
#
# 19 ARG HA 38 ALA H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 255, 532, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 38 ALA H 51 ILE HG12 4.40
&rst
ixpk= 0, nxpk= 0, iat= 532, 708, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 37 ASN HA 38 ALA H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 520, 532, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 5 THR H 5 THR QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 60, 61, 62,
&end
#
# 4 PRO HB2 5 THR H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 47, 54, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 4 PRO HA 5 THR H 2.67
&rst
ixpk= 0, nxpk= 0, iat= 50, 54, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 15 LEU QD2 40 CYS H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 213, 214, 215,
&end
#
# 5 THR H 5 THR HB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 54, 58, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 4 PRO HB3 5 THR H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 48, 54, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 16 THR QG2 20 ASN HD22 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 225, 226, 227,
&end
#
# 21 HIs HE1 27 ARG H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 301, 381, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 21 HIs HE1 26 HIs HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 301, 368, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 21 HIs HE1 26 HIs HB2 2.90
&rst
ixpk= 0, nxpk= 0, iat= 301, 367, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 39 GLN HB3 39 GLN HE22 4.71
&rst
ixpk= 0, nxpk= 0, iat= 547, 554, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 39 GLN HB2 39 GLN HE22 4.59
&rst
ixpk= 0, nxpk= 0, iat= 546, 554, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 40 CYS HB2 41 THR H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 563, 569, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 40 CYS HA 41 THR H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 561, 569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 CYS HB3 41 THR H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 41 THR H 47 THR HB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 569, 654, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 THR H 41 THR QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 575, 576, 577,
&end
#
# 46 THR H 46 THR QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 642, 643, 644,
&end
#
# 30 VAL H 33 VAL QG1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 463, 464, 465,
&end
#
# 29 ASP H 30 VAL H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 7 ARG HA 7 ARG HE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 94, 105, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 54 CYS H 54 CYS HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 53 PRO HA 54 CYS H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 53 PRO HB3 54 CYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 739, 745, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 35 CYS HB3 54 CYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 SER H 13 SER HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 9 LEU QD2 13 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 136, 137, 138,
&end
#
# 30 VAL H 31 GLY H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 424, 440, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 30 VAL HB 31 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 428, 440, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 11 VAL QG2 12 THR H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 162, 163, 164,
&end
#
# 11 VAL H 12 THR H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 12 THR H 13 SER H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 168, 182, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 12 THR H 12 THR QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 174, 175, 176,
&end
#
# 11 VAL HB 12 THR H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 156, 168, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 11 VAL QG1 12 THR H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 158, 159, 160,
&end
#
# 12 THR H 12 THR HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 43 PHE HA 43 PHE QD 3.27
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 598, 606,
&end
#
# 7 ARG H 7 ARG HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 92, 100, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 6 ARG HB2 7 ARG H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 72, 92, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 7 ARG H 9 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 132, 133, 134,
&end
#
# 7 ARG H 7 ARG HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 7 ARG H 7 ARG HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 92, 99, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 6 ARG HA 7 ARG H 2.74
&rst
ixpk= 0, nxpk= 0, iat= 70, 92, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 6 ARG HB3 7 ARG H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 73, 92, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 7 ARG H 7 ARG HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 92, 97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 18 CYS H 18 CYS HB2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 243, 247, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 18 CYS H 18 CYS HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 243, 248, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 15 LEU HA 18 CYS H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 202, 243, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 9 LEU HB3 18 CYS H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 128, 243, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 19 ARG H 19 ARG HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 253, 257, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 18 CYS HB2 19 ARG H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 247, 253, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 LEU QD1 19 ARG H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 209, 210, 211,
&end
#
# 19 ARG H 38 ALA QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 536, 537, 538,
&end
#
# 18 CYS HB3 19 ARG H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 19 ARG H 19 ARG HD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 253, 263, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 19 ARG H 19 ARG HD3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 253, 264, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 15 LEU HA 19 ARG H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 202, 253, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 17 ALA HA 19 ARG H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 235, 253, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 19 ARG H 19 ARG HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= 253, 258, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 18 CYS H 19 ARG H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 243, 253, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 16 THR HA 19 ARG H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 221, 253, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 ARG HB2 23 ARG HE 5.23
&rst
ixpk= 0, nxpk= 0, iat= 322, 331, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 23 ARG HB3 23 ARG HE 5.23
&rst
ixpk= 0, nxpk= 0, iat= 323, 331, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 22 CYS H 22 CYS HB2 2.99
&rst
ixpk= 0, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 22 CYS H 23 ARG H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 308, 318, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 22 CYS H 38 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 536, 537, 538,
&end
#
# 19 ARG HA 22 CYS H 3.80
&rst
ixpk= 0, nxpk= 0, iat= 255, 308, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 HIs HB2 22 CYS H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 295, 308, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 22 CYS H 22 CYS HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 HIs H 22 CYS H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 291, 308, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 21 HIs HD2 22 CYS H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 21 HIs HB3 22 CYS H 3.15
&rst
ixpk= 0, nxpk= 0, iat= 296, 308, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 27 ARG QD 28 GLY H 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 391, 392,
&end
#
# 18 CYS HA 22 CYS H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 245, 308, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 56 ARG HB2 57 CYS H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 773, 793, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 57 CYS H 57 CYS HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 33 VAL QG1 57 CYS H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 463, 464, 465,
&end
#
# 32 CYS QB 57 CYS H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 451, 452,
&end
#
# 56 ARG HB3 57 CYS H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 774, 793, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 56 ARG HA 57 CYS H 2.67
&rst
ixpk= 0, nxpk= 0, iat= 771, 793, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 34 ARG QB 35 CYS H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 477, 478,
&end
#
# 35 CYS H 35 CYS HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 497, 502, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 20 ASN QB 20 ASN HD21 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 281, 282,
&end
#
# 20 ASN HA 20 ASN HD21 4.80
&rst
ixpk= 0, nxpk= 0, iat= 279, 287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 20 ASN H 20 ASN HD21 4.16
&rst
ixpk= 0, nxpk= 0, iat= 277, 287, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 CYS HA 26 HIs HE1 2.98
&rst
ixpk= 0, nxpk= 0, iat= 310, 373, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 20 ASN QB 21 HIs H 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 281, 282,
&end
#
# 44 LEU H 45 GLY H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 610, 629, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 17 ALA QB 21 HIs H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 237, 238, 239,
&end
#
# 20 ASN H 21 HIs H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 277, 291, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 19 ARG HA 21 HIs H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 255, 291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 21 HIs H 21 HIs HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 291, 295, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 17 ALA HA 21 HIs H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 235, 291, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 19 ARG H 21 HIs H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 253, 291, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 21 HIs H 21 HIs HD2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 291, 304, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 21 HIs H 21 HIs HB3 2.86
&rst
ixpk= 0, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 9 LEU QD2 21 HIs H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 136, 137, 138,
&end
#
# 39 GLN HB3 39 GLN HE21 3.93
&rst
ixpk= 0, nxpk= 0, iat= 547, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 39 GLN HB2 39 GLN HE21 3.89
&rst
ixpk= 0, nxpk= 0, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 29 ASP H 33 VAL QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 467, 468, 469,
&end
#
# 29 ASP H 29 ASP HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 29 ASP H 29 ASP HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 28 GLY HA3 29 ASP H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 21 HIs HB2 21 HIs HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 295, 304, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 9 LEU QD1 21 HIs HD2 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 132, 133, 134,
&end
#
# 21 HIs HB3 21 HIs HD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 296, 304, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 27 ARG H 33 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 381, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ILE QG2 52 ASN H 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 704, 705, 706,
&end
#
# 51 ILE HA 52 ASN H 2.51
&rst
ixpk= 0, nxpk= 0, iat= 700, 717, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01, &end
#
# 51 ILE QD1 52 ASN H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 711, 712, 713,
&end
#
# 3 CYS H 4 PRO HD2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 30, 41, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 3 CYS H 4 PRO HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 30, 50, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 37 ASN HD22 38 ALA H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 14 GLY H 17 ALA QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 237, 238, 239,
&end
#
# 13 SER H 14 GLY H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 182, 193, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 13 SER HB2 14 GLY H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 186, 193, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 13 SER HB3 14 GLY H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 187, 193, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 10 CYS HA 14 GLY H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 144, 193, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 50 CYS H 50 CYS HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 49 THR H 50 CYS H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 674, 688, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 50 CYS H 50 CYS HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 49 THR HA 50 CYS H 2.57
&rst
ixpk= 0, nxpk= 0, iat= 676, 688, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, &end
#
# 23 ARG HB2 24 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 322, 342, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 23 ARG HB3 24 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 323, 342, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 CYS HA 24 SER H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 310, 342, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 21 HIs HA 24 SER H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 293, 342, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 24 SER H 34 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 24 SER H 24 SER QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 346, 347,
&end
#
# 41 THR HA 42 GLY H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 571, 583, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 41 THR QG2 42 GLY H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 575, 576, 577,
&end
#
# 41 THR HB 42 GLY H 2.71
&rst
ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 6 ARG HB2 21 HIs HE1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 72, 301, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 9 LEU HB3 13 SER H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 128, 182, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 5 THR QG2 21 HIs HE1 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 60, 61, 62,
&end
#
# 6 ARG HB3 21 HIs HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 73, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ARG HG3 21 HIs HE1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 76, 301, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 GLN HE21 51 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 711, 712, 713,
&end
#
# 43 PHE QE 44 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 600, 604,
igr2= 623, 624, 625,
&end
#
# 43 PHE QD 44 LEU QD2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 598, 606,
igr2= 623, 624, 625,
&end
#
# 43 PHE QD 44 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 598, 606,
igr2= 619, 620, 621,
&end
#
# 43 PHE HZ 44 LEU QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 619, 620, 621,
&end
#
# 43 PHE HZ 44 LEU QD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 623, 624, 625,
&end
#
# 43 PHE QE 44 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 600, 604,
igr2= 619, 620, 621,
&end
#
# 39 GLN HE21 41 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 575, 576, 577,
&end
#
# 39 GLN HE21 51 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PRO HB2 21 HIs HE1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 47, 301, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 ALA QB 20 ASN HD21 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 237, 238, 239,
&end
#
# 6 ARG HG2 21 HIs HE1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 75, 301, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 9 LEU HB2 18 CYS H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 127, 243, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 48 CYS HB2 49 THR H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 668, 674, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 27 ARG QD 33 VAL H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 391, 392,
&end
#
# 22 CYS HA 35 CYS H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 310, 497, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 20 ASN QB 22 CYS H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 281, 282,
&end
#
# 22 CYS HA 26 HIs HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 HIs HD2 22 CYS HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 304, 310, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 16 THR HB 20 ASN HD22 4.83
&rst
ixpk= 0, nxpk= 0, iat= 223, 286, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 17 ALA HA 20 ASN HD22 5.14
&rst
ixpk= 0, nxpk= 0, iat= 235, 286, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 26 HIs HD2 28 GLY HA3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 377, 408, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 13 SER HB2 17 ALA H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 186, 233, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 16 THR HA 18 CYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 221, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA HA 20 ASN HD21 3.55
&rst
ixpk= 0, nxpk= 0, iat= 235, 287, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 16 THR HA 20 ASN H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 221, 277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 47 THR HA 48 CYS H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 652, 664, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 26 HIs HA 27 ARG H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 365, 381, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 26 HIs HD2 28 GLY H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 377, 405, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 43 PHE QD 44 LEU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 598, 606,
&end
#
# 22 CYS HB3 26 HIs HE1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 313, 373, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 22 CYS HB3 35 CYS H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 313, 497, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 26 HIs HE1 35 CYS HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 373, 501, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 4 PRO HG2 21 HIs HE1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 44, 301, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 39 GLN HE22 41 THR QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 575, 576, 577,
&end
#
# 39 GLN HA 40 CYS H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 544, 559, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 18 CYS HA 21 HIs H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 245, 291, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 54 CYS H 55 PRO HD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 745, 756, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 39 GLN HE22 51 ILE QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 711, 712, 713,
&end
#
# 26 HIs HD2 27 ARG HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 377, 383, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 HIs HA 26 HIs HD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 365, 377, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 26 HIs HD2 32 CYS HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= 377, 449, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 25 CYS HA 26 HIs H 2.69
&rst
ixpk= 0, nxpk= 0, iat= 355, 363, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 28 GLY HA3 33 VAL H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 408, 457, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 34 ARG H 57 CYS H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 473, 793, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 34 ARG H 56 ARG HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 473, 771, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 18 CYS H 20 ASN H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 243, 277, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 26 HIs HE1 35 CYS H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 373, 497, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 2 ASN H 3 CYS H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 16, 30, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 34 ARG QB 57 CYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 7 ARG HA 7 ARG HD3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 94, 103, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 32 CYS HA 33 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 463, 464, 465,
&end
#
# 39 GLN HG2 51 ILE HG12 4.52
&rst
ixpk= 0, nxpk= 0, iat= 549, 708, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 39 GLN HG2 49 THR HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 549, 678, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 28 GLY HA2 33 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 467, 468, 469,
&end
#
# 18 CYS HA 21 HIs HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 245, 296, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 9 LEU HB2 18 CYS HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 127, 245, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 9 LEU QD1 18 CYS HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 132, 133, 134,
&end
#
# 22 CYS HB3 38 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 536, 537, 538,
&end
#
# 6 ARG HA 6 ARG HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 70, 75, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 9 LEU QD1 21 HIs HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 132, 133, 134,
&end
#
# 3 CYS HB3 4 PRO HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 35, 41, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU HB2 9 LEU QD2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 136, 137, 138,
&end
#
# 9 LEU HA 9 LEU QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 132, 133, 134,
&end
#
# 9 LEU HB2 9 LEU QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 132, 133, 134,
&end
#
# 9 LEU HB3 9 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 132, 133, 134,
&end
#
# 22 CYS HB2 38 ALA QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 536, 537, 538,
&end
#
# 15 LEU HB3 15 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 209, 210, 211,
&end
#
# 15 LEU HA 15 LEU QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 209, 210, 211,
&end
#
# 15 LEU QD1 19 ARG QG 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 209, 210, 211,
igr2= 260, 261,
&end
#
# 39 GLN HA 39 GLN HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 544, 549, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 39 GLN HA 39 GLN HG3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 544, 550, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 38 ALA QB 39 GLN HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 536, 537, 538,
&end
#
# 11 VAL HB 46 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 642, 643, 644,
&end
#
# 4 PRO HG2 26 HIs HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 44, 365, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 4 PRO HD3 26 HIs HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 42, 365, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 46 THR HA 46 THR QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 642, 643, 644,
&end
#
# 41 THR HA 41 THR QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 575, 576, 577,
&end
#
# 41 THR HA 41 THR HB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 571, 573, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 10 CYS HB3 46 THR HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 147, 638, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 9 LEU HB2 48 CYS HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 127, 669, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 34 ARG QB 34 ARG QD 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 477, 478,
igr2= 483, 484,
&end
#
# 9 LEU QD1 21 HIs HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 132, 133, 134,
&end
#
# 37 ASN HB2 51 ILE HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 522, 702, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 ARG HA 27 ARG QD 3.71
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 391, 392,
&end
#
# 27 ARG HA 27 ARG HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 383, 389, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 22 CYS HB2 35 CYS HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 312, 501, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 6 ARG HB3 6 ARG HD3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 73, 79, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 9 LEU QD1 21 HIs HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 132, 133, 134,
&end
#
# 16 THR HA 16 THR QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 225, 226, 227,
&end
#
# 16 THR HA 19 ARG HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 221, 258, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 16 THR HA 19 ARG HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 221, 257, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 9 LEU HB3 18 CYS HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 128, 245, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 9 LEU HB3 18 CYS HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 128, 247, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 12 THR HA 12 THR QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 174, 175, 176,
&end
#
# 11 VAL HB 12 THR QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 174, 175, 176,
&end
#
# 9 LEU HA 9 LEU QD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 136, 137, 138,
&end
#
# 6 ARG HD3 9 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 136, 137, 138,
&end
#
# 9 LEU QD2 21 HIs HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 136, 137, 138,
&end
#
# 50 CYS HA 51 ILE HB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 690, 702, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 9 LEU QD1 17 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 132, 133, 134,
igr2= 237, 238, 239,
&end
#
# 3 CYS HA 4 PRO HD2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 32, 41, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 3 CYS HA 4 PRO HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 32, 45, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 3 CYS HA 4 PRO HD3 3.06
&rst
ixpk= 0, nxpk= 0, iat= 32, 42, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 47 THR HA 47 THR QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 656, 657, 658,
&end
#
# 44 LEU HB2 44 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 623, 624, 625,
&end
#
# 44 LEU HB2 44 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 619, 620, 621,
&end
#
# 39 GLN HB3 51 ILE QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 711, 712, 713,
&end
#
# 38 ALA HA 51 ILE HB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 534, 702, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 44 LEU HB3 44 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 623, 624, 625,
&end
#
# 44 LEU HB3 44 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 619, 620, 621,
&end
#
# 22 CYS HB2 50 CYS HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 312, 690, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 33 VAL HA 56 ARG HA 3.01
&rst
ixpk= 0, nxpk= 0, iat= 459, 771, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 25 CYS HA 34 ARG QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 483, 484,
&end
#
# 9 LEU HA 18 CYS HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 125, 247, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 9 LEU HA 11 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLN HB3 49 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 547, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HA 12 THR QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 174, 175, 176,
&end
#
# 17 ALA QB 18 CYS HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 237, 238, 239,
&end
#
# 17 ALA QB 21 HIs HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 237, 238, 239,
&end
#
# 50 CYS HB3 51 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 693, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ALA QB 50 CYS HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 536, 537, 538,
&end
#
# 56 ARG HB3 56 ARG QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 779, 780,
&end
#
# 9 LEU HB2 18 CYS HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 127, 247, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 6 ARG HA 6 ARG HD3 4.77
&rst
ixpk= 0, nxpk= 0, iat= 70, 79, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 39 GLN HB2 51 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 711, 712, 713,
&end
#
# 39 GLN HG3 51 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 711, 712, 713,
&end
#
# 39 GLN HB3 51 ILE HG13 5.03
&rst
ixpk= 0, nxpk= 0, iat= 547, 709, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 9 LEU HA 12 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 174, 175, 176,
&end
#
# 15 LEU QD1 19 ARG HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 209, 210, 211,
&end
#
# 17 ALA QB 18 CYS HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 237, 238, 239,
&end
#
# 20 ASN HA 23 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 279, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ARG HB3 57 CYS HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 774, 795, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 56 ARG HB2 57 CYS HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 773, 795, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 20 ASN HA 23 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 279, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ARG QB 55 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 24 SER HA 34 ARG QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 477, 478,
&end
#
# 41 THR QG2 47 THR HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 575, 576, 577,
&end
#
# 11 VAL HA 46 THR QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 642, 643, 644,
&end
#
# 39 GLN HB2 41 THR QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 575, 576, 577,
&end
#
# 25 CYS HA 34 ARG QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 477, 478,
&end
#
# 3 CYS HB3 4 PRO HD3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 35, 42, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 2 ASN H 2 ASN QD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 25, 26,
&end
#
# 2 ASN HA 2 ASN QB 2.52
&rst
ixpk= 0, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2= 20, 21,
&end
#
# 2 ASN QB 2 ASN QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 20, 21,
igr2= 25, 26,
&end
#
# 3 CYS H 3 CYS QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 34, 35,
&end
#
# 3 CYS QB 4 PRO HD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 41, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 34, 35,
&end
#
# 4 PRO HB2 6 ARG QG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 75, 76,
&end
#
# 5 THR H 6 ARG QG 4.32
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 75, 76,
&end
#
# 5 THR HA 27 ARG QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 385, 386,
&end
#
# 5 THR HB 27 ARG QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 385, 386,
&end
#
# 5 THR QG2 7 ARG QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 60, 61, 62,
igr2= 99, 100,
&end
#
# 5 THR QG2 7 ARG QD 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 60, 61, 62,
igr2= 102, 103,
&end
#
# 5 THR QG2 27 ARG QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 60, 61, 62,
igr2= 385, 386,
&end
#
# 6 ARG H 6 ARG QG 3.76
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 75, 76,
&end
#
# 6 ARG H 6 ARG QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 78, 79,
&end
#
# 6 ARG HA 6 ARG QG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 75, 76,
&end
#
# 6 ARG HA 6 ARG QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 78, 79,
&end
#
# 6 ARG HB2 6 ARG QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 78, 79,
&end
#
# 6 ARG HB3 6 ARG QD 3.61
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 78, 79,
&end
#
# 6 ARG QG 21 HIs HE1 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 75, 76,
&end
#
# 6 ARG QD 9 LEU QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 78, 79,
igr2= 132, 133, 134,
&end
#
# 6 ARG QD 9 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 78, 79,
igr2= 136, 137, 138,
&end
#
# 7 ARG H 7 ARG QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 96, 97,
&end
#
# 7 ARG H 7 ARG QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 99, 100,
&end
#
# 7 ARG HA 7 ARG QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 99, 100,
&end
#
# 7 ARG HA 7 ARG QD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 102, 103,
&end
#
# 7 ARG QB 8 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 96, 97,
&end
#
# 9 LEU H 11 VAL QQG 5.19
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 158, 159, 160, 162, 163, 164,
&end
#
# 9 LEU H 48 CYS QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 668, 669,
&end
#
# 9 LEU HA 11 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 158, 159, 160, 162, 163, 164,
&end
#
# 9 LEU HB2 48 CYS QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 668, 669,
&end
#
# 9 LEU HB3 48 CYS QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 668, 669,
&end
#
# 9 LEU QD2 13 SER QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 136, 137, 138,
igr2= 186, 187,
&end
#
# 10 CYS H 10 CYS QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 146, 147,
&end
#
# 10 CYS H 11 VAL QQG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 158, 159, 160, 162, 163, 164,
&end
#
# 10 CYS H 48 CYS QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 668, 669,
&end
#
# 10 CYS QB 11 VAL H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 146, 147,
&end
#
# 10 CYS QB 11 VAL QQG 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 146, 147,
igr2= 158, 159, 160, 162, 163, 164,
&end
#
# 10 CYS QB 46 THR HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 146, 147,
&end
#
# 11 VAL H 11 VAL QQG 3.32
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 158, 159, 160, 162, 163, 164,
&end
#
# 11 VAL QQG 12 THR H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 158, 159, 160, 162, 163, 164,
&end
#
# 11 VAL QQG 12 THR HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 158, 159, 160, 162, 163, 164,
&end
#
# 11 VAL QQG 46 THR HA 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 158, 159, 160, 162, 163, 164,
&end
#
# 11 VAL QQG 46 THR HB 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 158, 159, 160, 162, 163, 164,
&end
#
# 13 SER QB 17 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 186, 187,
&end
#
# 13 SER QB 18 CYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 186, 187,
&end
#
# 15 LEU HG 19 ARG QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 257, 258,
&end
#
# 15 LEU QD1 19 ARG QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 209, 210, 211,
igr2= 257, 258,
&end
#
# 15 LEU QD1 40 CYS QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 209, 210, 211,
igr2= 563, 564,
&end
#
# 16 THR H 19 ARG QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 257, 258,
&end
#
# 16 THR HA 19 ARG QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 257, 258,
&end
#
# 19 ARG H 19 ARG QB 2.78
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 257, 258,
&end
#
# 19 ARG H 19 ARG QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 263, 264,
&end
#
# 19 ARG QB 19 ARG QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 257, 258,
igr2= 263, 264,
&end
#
# 19 ARG QB 20 ASN H 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 257, 258,
&end
#
# 20 ASN HA 23 ARG QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 322, 323,
&end
#
# 20 ASN HA 23 ARG QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 325, 326,
&end
#
# 23 ARG H 23 ARG QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 322, 323,
&end
#
# 23 ARG H 23 ARG QG 3.21
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 325, 326,
&end
#
# 23 ARG H 23 ARG QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 328, 329,
&end
#
# 23 ARG HA 23 ARG QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 325, 326,
&end
#
# 23 ARG QB 23 ARG QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 322, 323,
igr2= 328, 329,
&end
#
# 23 ARG QB 23 ARG HE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 23 ARG QB 24 SER H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 322, 323,
&end
#
# 23 ARG QG 24 SER H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 325, 326,
&end
#
# 23 ARG QG 36 SER HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 325, 326,
&end
#
# 25 CYS H 25 CYS QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 357, 358,
&end
#
# 25 CYS H 57 CYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 797, 798,
&end
#
# 25 CYS HA 57 CYS QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 797, 798,
&end
#
# 25 CYS QB 26 HIs H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 357, 358,
&end
#
# 25 CYS QB 34 ARG QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 357, 358,
igr2= 477, 478,
&end
#
# 27 ARG H 27 ARG QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 388, 389,
&end
#
# 27 ARG HA 27 ARG QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 388, 389,
&end
#
# 27 ARG QB 27 ARG HE 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 385, 386,
&end
#
# 27 ARG QG 28 GLY H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 388, 389,
&end
#
# 29 ASP H 29 ASP QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 416, 417,
&end
#
# 29 ASP QB 30 VAL H 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 416, 417,
&end
#
# 29 ASP QB 30 VAL HB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 416, 417,
&end
#
# 29 ASP QB 30 VAL QQG 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 416, 417,
igr2= 430, 431, 432, 434, 435, 436,
&end
#
# 30 VAL H 30 VAL QQG 3.20
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 430, 431, 432, 434, 435, 436,
&end
#
# 30 VAL QQG 56 ARG QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 430, 431, 432, 434, 435, 436,
igr2= 779, 780,
&end
#
# 31 GLY QA 32 CYS H 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr1= 442, 443,
&end
#
# 33 VAL QG1 56 ARG QG 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 463, 464, 465,
igr2= 776, 777,
&end
#
# 34 ARG H 57 CYS QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 797, 798,
&end
#
# 34 ARG QB 57 CYS QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 477, 478,
igr2= 797, 798,
&end
#
# 34 ARG QG 55 PRO HG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 480, 481,
&end
#
# 34 ARG QG 57 CYS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 480, 481,
&end
#
# 34 ARG QG 57 CYS QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 480, 481,
igr2= 797, 798,
&end
#
# 34 ARG HE 57 CYS QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 797, 798,
&end
#
# 36 SER H 36 SER QB 2.87
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 511, 512,
&end
#
# 36 SER QB 51 ILE QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 511, 512,
igr2= 704, 705, 706,
&end
#
# 36 SER QB 53 PRO HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 511, 512,
&end
#
# 37 ASN QB 37 ASN QD2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 522, 523,
igr2= 527, 528,
&end
#
# 37 ASN QB 38 ALA H 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 522, 523,
&end
#
# 37 ASN QB 51 ILE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 522, 523,
&end
#
# 37 ASN QB 51 ILE HB 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 522, 523,
&end
#
# 37 ASN QB 51 ILE QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 522, 523,
igr2= 704, 705, 706,
&end
#
# 37 ASN QB 51 ILE HG12 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 522, 523,
&end
#
# 37 ASN QB 51 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 522, 523,
igr2= 711, 712, 713,
&end
#
# 37 ASN QD2 38 ALA H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 527, 528,
&end
#
# 40 CYS H 40 CYS QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 563, 564,
&end
#
# 40 CYS QB 41 THR H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 563, 564,
&end
#
# 41 THR H 42 GLY QA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 585, 586,
&end
#
# 41 THR H 45 GLY QA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 631, 632,
&end
#
# 41 THR HA 45 GLY QA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 631, 632,
&end
#
# 42 GLY QA 43 PHE H 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 585, 586,
&end
#
# 43 PHE H 43 PHE QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 594, 595,
&end
#
# 43 PHE QB 44 LEU H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 594, 595,
&end
#
# 43 PHE QD 44 LEU QQD 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 598, 606,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 43 PHE QE 44 LEU QQD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 600, 604,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 43 PHE HZ 44 LEU QQD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 44 LEU H 44 LEU QQD 4.67
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 44 LEU HA 44 LEU QQD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 44 LEU QB 46 THR QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 614, 615,
igr2= 642, 643, 644,
&end
#
# 45 GLY QA 46 THR HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 631, 632,
&end
#
# 45 GLY QA 46 THR QG2 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 631, 632,
igr2= 642, 643, 644,
&end
#
# 45 GLY QA 47 THR H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 631, 632,
&end
#
# 48 CYS H 48 CYS QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 668, 669,
&end
#
# 48 CYS QB 49 THR H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 668, 669,
&end
#
# 52 ASN H 52 ASN QB 2.79
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 721, 722,
&end
#
# 52 ASN H 52 ASN QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 726, 727,
&end
#
# 52 ASN HA 53 PRO QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 732, 733,
&end
#
# 52 ASN QB 52 ASN QD2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 721, 722,
igr2= 726, 727,
&end
#
# 52 ASN QB 53 PRO HA 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr1= 721, 722,
&end
#
# 52 ASN QB 54 CYS H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 721, 722,
&end
#
# 55 PRO HA 56 ARG QG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 776, 777,
&end
#
# 55 PRO QB 56 ARG H 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 762, 763,
&end
#
# 56 ARG H 56 ARG QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 773, 774,
&end
#
# 56 ARG H 56 ARG QG 3.24
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 776, 777,
&end
#
# 56 ARG HA 56 ARG QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 776, 777,
&end
#
# 56 ARG QG 57 CYS H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 776, 777,
&end
#
# 19 ARG H 15 LEU O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 253, 217, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 19 ARG N 15 LEU O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 252, 217, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
# 20 ASN H 16 THR O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 277, 231, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 20 ASN N 16 THR O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 276, 231, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
# 21 HIs H 17 ALA O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 291, 241, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 21 HIs N 17 ALA O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 290, 241, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
# 22 CYS H 18 CYS O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 308, 251, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 22 CYS N 18 CYS O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 307, 251, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
# 33 VAL H 26 HIs O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 457, 379, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 33 VAL N 26 HIs O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 456, 379, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
# 39 GLN H 49 THR O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 542, 686, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 39 GLN N 49 THR O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 541, 686, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
# 41 THR H 47 THR O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 569, 662, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 41 THR N 47 THR O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 568, 662, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
# 49 THR H 39 GLN O 1.70 2.30
&rst
ixpk= 0, nxpk= 0, iat= 674, 557, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 49 THR N 39 GLN O 2.60 3.20
&rst
ixpk= 0, nxpk= 0, iat= 673, 557, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end
#
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