NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16036 |
1zae   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Residues 1-70 correspond to residues A61-A130 in pdb file
# Residues 71-140 correspond to residues B61-B130 in pdb file
# 2 MET HN 2 MET HB2 3.50
&rst
iat= 20, 24, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1,
&end
#
# 2 MET HN 2 MET HB3 3.50
&rst
iat= 20, 25, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 MET HN 2 MET QB 2.96
&rst
iat= 20, 23, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 2 MET HN 2 MET HG2 5.00
&rst
iat= 20, 27, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 MET HN 2 MET HG3 5.00
&rst
iat= 20, 28, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 MET HA 2 MET HG2 3.50
&rst
iat= 22, 27, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 MET HA 2 MET HG3 3.50
&rst
iat= 22, 28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 MET HA 3 ASP- HN 2.60
&rst
iat= 22, 39, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 2 MET QB 3 ASP- HN 4.38
&rst
iat= 23, 39, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 2 MET QG 3 ASP- HN 5.88
&rst
iat= 26, 39, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 3 ASP- HN 3 ASP- HB2 3.50
&rst
iat= 39, 43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP- HN 3 ASP- HB3 3.50
&rst
iat= 39, 44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP- HN 4 LYS+ HN 5.00
&rst
iat= 39, 51, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 ASP- HA 4 LYS+ HN 2.60
&rst
iat= 41, 51, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 3 ASP- HB2 4 LYS+ HN 5.00
&rst
iat= 43, 51, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 ASP- HB3 4 LYS+ HN 5.00
&rst
iat= 44, 51, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 ASP- QB 4 LYS+ HN 4.23
&rst
iat= 42, 51, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 4 LYS+ HN 4 LYS+ HB2 3.50
&rst
iat= 51, 55, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS+ HN 4 LYS+ HB3 3.50
&rst
iat= 51, 56, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS+ HN 4 LYS+ QB 2.96
&rst
iat= 51, 54, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 4 LYS+ HN 4 LYS+ QG 5.88
&rst
iat= 51, 57, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 4 LYS+ HA 5 THR HN 2.60
&rst
iat= 53, 73, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 4 LYS+ HB2 5 THR HN 5.00
&rst
iat= 55, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 LYS+ HB3 5 THR HN 5.00
&rst
iat= 56, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 LYS+ QB 5 THR HN 4.23
&rst
iat= 54, 73, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 5 THR HN 5 THR HB 3.50
&rst
iat= 73, 77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 THR HN 5 THR QG2 4.50
&rst
iat= 73, 78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HN 6 VAL HN 5.00
&rst
iat= 73, 87, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 THR HA 5 THR QG2 3.60
&rst
iat= 75, 78, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 5 THR HA 6 VAL HN 3.50
&rst
iat= 75, 87, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 THR HB 6 VAL HN 5.00
&rst
iat= 77, 87, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 THR QG2 6 VAL HN 6.00
&rst
iat= 78, 87, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 VAL HN 6 VAL HB 2.60
&rst
iat= 87, 91, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 6 VAL HN 7 ASN HN 5.00
&rst
iat= 87, 103, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 VAL HA 7 ASN HN 3.50
&rst
iat= 89, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 VAL HB 7 ASN HN 5.00
&rst
iat= 91, 103, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 VAL QQG 7 ASN HN 6.06
&rst
iat= 90, 103, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 7 ASN HN 7 ASN HB2 3.50
&rst
iat= 103, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ASN HN 7 ASN HB3 3.50
&rst
iat= 103, 108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ASN HN 7 ASN QB 2.96
&rst
iat= 103, 106, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 7 ASN HN 8 LEU HN 5.00
&rst
iat= 103, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ASN HN 35 VAL QG1 7.00
&rst
iat= 103, 543, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 ASN HN 35 VAL QG2 7.00
&rst
iat= 103, 547, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 ASN HA 7 ASN HD21 5.00
&rst
iat= 105, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ASN HA 7 ASN HD22 5.00
&rst
iat= 105, 113, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ASN HA 8 LEU HN 2.60
&rst
iat= 105, 117, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 7 ASN HB2 8 LEU HN 5.00
&rst
iat= 107, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ASN HB2 35 VAL QG1 6.00
&rst
iat= 107, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ASN HB2 35 VAL QG2 6.00
&rst
iat= 107, 547, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ASN HB3 8 LEU HN 5.00
&rst
iat= 108, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ASN HB3 35 VAL QG1 6.00
&rst
iat= 108, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ASN HB3 35 VAL QG2 6.00
&rst
iat= 108, 547, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HN 8 LEU QB 3.37
&rst
iat= 117, 120, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 8 LEU HN 8 LEU QD1 6.00
&rst
iat= 117, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HN 8 LEU QD2 6.00
&rst
iat= 117, 129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HN 13 VAL QQG 7.56
&rst
iat= 117, 188, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 8 LEU HA 8 LEU QD1 6.00
&rst
iat= 119, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HA 8 LEU QD2 6.00
&rst
iat= 119, 129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HA 9 SER HN 2.60
&rst
iat= 119, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 8 LEU HA 13 VAL QG1 6.00
&rst
iat= 119, 190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HA 13 VAL QG2 6.00
&rst
iat= 119, 194, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HA 35 VAL QG1 6.00
&rst
iat= 119, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU HA 35 VAL QG2 6.00
&rst
iat= 119, 547, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LEU QB 9 SER HN 4.38
&rst
iat= 120, 136, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 8 LEU QB 12 GLU- HN 6.88
&rst
iat= 120, 170, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 8 LEU QD1 35 VAL QG1 8.64
&rst
iat= 125, 543, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 8 LEU QD1 35 VAL QG2 8.64
&rst
iat= 125, 547, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 8 LEU QD2 35 VAL QG1 8.64
&rst
iat= 129, 543, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 8 LEU QD2 35 VAL QG2 8.64
&rst
iat= 129, 547, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 8 LEU QQD 9 SER HN 7.57
&rst
iat= 123, 136, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 8 LEU QQD 12 GLU- HN 7.57
&rst
iat= 123, 170, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 8 LEU QQD 12 GLU- HA 7.57
&rst
iat= 123, 172, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 8 LEU QQD 12 GLU- QG 6.95
&rst
iat= 123, 176, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 8 LEU QQD 13 VAL HA 8.57
&rst
iat= 123, 187, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 8 LEU QQD 16 LEU HA 7.57
&rst
iat= 123, 229, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 8 LEU QQD 31 ILE HA 8.57
&rst
iat= 123, 475, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 8 LEU QQD 31 ILE HB 8.57
&rst
iat= 123, 477, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 8 LEU QQD 35 VAL HN 7.57
&rst
iat= 123, 538, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 8 LEU QQD 35 VAL HA 7.57
&rst
iat= 123, 540, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 8 LEU QQD 35 VAL QQG 6.90
&rst
iat= 123, 541, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 9 SER HN 9 SER QB 3.38
&rst
iat= 136, 139, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 9 SER HN 10 ALA HN 5.00
&rst
iat= 136, 147, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 SER HA 10 ALA HN 3.50
&rst
iat= 138, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 SER HA 13 VAL QQG 7.56
&rst
iat= 138, 188, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 9 SER HB2 10 ALA HN 5.00
&rst
iat= 140, 147, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 SER HB3 10 ALA HN 5.00
&rst
iat= 141, 147, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 SER QB 10 ALA HN 4.23
&rst
iat= 139, 147, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 9 SER O 13 VAL HN 2.20
&rst
iat= 145, 185, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 10 ALA HN 10 ALA QB 3.60
&rst
iat= 147, 150, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 ALA HN 11 CYS HN 3.50
&rst
iat= 147, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ALA HN 13 VAL QQG 8.56
&rst
iat= 147, 188, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 10 ALA HA 13 VAL HN 5.00
&rst
iat= 149, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 ALA HA 13 VAL HB 3.50
&rst
iat= 149, 189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ALA HA 13 VAL QG1 6.00
&rst
iat= 149, 190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ALA HA 13 VAL QG2 6.00
&rst
iat= 149, 194, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ALA HA 13 VAL QQG 5.07
&rst
iat= 149, 188, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 10 ALA QB 11 CYS HN 3.60
&rst
iat= 150, 157, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 ALA QB 12 GLU- HN 6.00
&rst
iat= 150, 170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ALA O 14 ALA HN 2.20
&rst
iat= 155, 201, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 11 CYS HN 11 CYS HB2 3.50
&rst
iat= 157, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 CYS HN 11 CYS HB3 3.50
&rst
iat= 157, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 CYS HN 12 GLU- HN 3.50
&rst
iat= 157, 170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 CYS HA 14 ALA HN 3.50
&rst
iat= 159, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 CYS HA 14 ALA QB 3.60
&rst
iat= 159, 204, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 11 CYS HA 42 GLU- HN 6.00
&rst
iat= 159, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 CYS HA 42 GLU- HG2 3.50
&rst
iat= 159, 663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 CYS HA 42 GLU- HG3 3.50
&rst
iat= 159, 664, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 CYS HB2 14 ALA QB 6.00
&rst
iat= 161, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 CYS HB2 42 GLU- HN 5.00
&rst
iat= 161, 656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 CYS HB2 42 GLU- HA 5.00
&rst
iat= 161, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 CYS HB2 42 GLU- HG2 6.75
&rst
iat= 161, 663, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 11 CYS HB2 42 GLU- HG3 6.75
&rst
iat= 161, 664, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 11 CYS HB2 45 VAL QG1 10.12
&rst
iat= 161, 708, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 11 CYS HB2 45 VAL QG2 10.12
&rst
iat= 161, 712, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 11 CYS HB3 14 ALA QB 6.00
&rst
iat= 162, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 CYS HB3 42 GLU- HN 5.00
&rst
iat= 162, 656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 CYS HB3 42 GLU- HA 5.00
&rst
iat= 162, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 CYS HB3 42 GLU- HG2 6.75
&rst
iat= 162, 663, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 11 CYS HB3 42 GLU- HG3 6.75
&rst
iat= 162, 664, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 11 CYS HB3 45 VAL QG1 10.12
&rst
iat= 162, 708, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 11 CYS HB3 45 VAL QG2 10.12
&rst
iat= 162, 712, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 11 CYS QB 12 GLU- HN 5.88
&rst
iat= 160, 170, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 11 CYS QB 41 SER HA 6.88
&rst
iat= 160, 647, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 11 CYS QB 42 GLU- QG 5.81
&rst
iat= 160, 662, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 11 CYS QB 45 VAL QQG 8.52
&rst
iat= 160, 706, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, &end
#
# 11 CYS O 15 VAL HN 2.20
&rst
iat= 168, 211, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 12 GLU- HN 12 GLU- QB 3.77
&rst
iat= 170, 173, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 12 GLU- HN 12 GLU- QG 4.38
&rst
iat= 170, 176, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 12 GLU- HN 13 VAL HN 3.50
&rst
iat= 170, 185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 GLU- HN 45 VAL QQG 8.56
&rst
iat= 170, 706, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 12 GLU- HA 15 VAL HN 5.00
&rst
iat= 172, 211, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 GLU- HA 15 VAL QG1 6.00
&rst
iat= 172, 216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HA 15 VAL QG2 6.00
&rst
iat= 172, 220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HA 15 VAL QQG 4.70
&rst
iat= 172, 214, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 12 GLU- HA 45 VAL QG1 6.00
&rst
iat= 172, 708, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HA 45 VAL QG2 6.00
&rst
iat= 172, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HA 45 VAL QQG 5.07
&rst
iat= 172, 706, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 12 GLU- HB2 15 VAL HN 6.00
&rst
iat= 174, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HB2 34 LEU QD1 6.00
&rst
iat= 174, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HB2 34 LEU QD2 6.00
&rst
iat= 174, 531, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HB2 45 VAL QG1 7.75
&rst
iat= 174, 708, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- HB2 45 VAL QG2 7.75
&rst
iat= 174, 712, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- HB3 15 VAL HN 6.00
&rst
iat= 175, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HB3 34 LEU QD1 6.00
&rst
iat= 175, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HB3 34 LEU QD2 6.00
&rst
iat= 175, 531, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU- HB3 45 VAL QG1 7.75
&rst
iat= 175, 708, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- HB3 45 VAL QG2 7.75
&rst
iat= 175, 712, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- QB 13 VAL HN 4.38
&rst
iat= 173, 185, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 12 GLU- QB 15 VAL HN 5.45
&rst
iat= 173, 211, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 12 GLU- QB 16 LEU QQD 8.45
&rst
iat= 173, 233, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 12 GLU- QB 39 LEU QQD 9.45
&rst
iat= 173, 615, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 12 GLU- QB 45 VAL QQG 6.70
&rst
iat= 173, 706, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 12 GLU- HG2 13 VAL HN 5.00
&rst
iat= 177, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 GLU- HG2 35 VAL QG1 7.75
&rst
iat= 177, 543, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- HG2 35 VAL QG2 7.75
&rst
iat= 177, 547, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- HG3 13 VAL HN 5.00
&rst
iat= 178, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 GLU- HG3 35 VAL QG1 7.75
&rst
iat= 178, 543, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- HG3 35 VAL QG2 7.75
&rst
iat= 178, 547, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 12 GLU- QG 13 VAL HN 4.23
&rst
iat= 176, 185, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 12 GLU- QG 35 VAL QQG 6.70
&rst
iat= 176, 541, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 12 GLU- O 16 LEU HN 2.20
&rst
iat= 183, 227, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 13 VAL HN 13 VAL HB 2.60
&rst
iat= 185, 189, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 13 VAL HN 13 VAL QG1 4.50
&rst
iat= 185, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 VAL HN 13 VAL QG2 4.50
&rst
iat= 185, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 VAL HN 13 VAL QQG 3.76
&rst
iat= 185, 188, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 13 VAL HN 14 ALA HN 2.60
&rst
iat= 185, 201, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 13 VAL HN 15 VAL QQG 8.56
&rst
iat= 185, 214, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 13 VAL HA 15 VAL HN 5.00
&rst
iat= 187, 211, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 VAL HA 16 LEU HN 5.00
&rst
iat= 187, 227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 VAL HA 16 LEU QB 3.48
&rst
iat= 187, 230, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 13 VAL HA 16 LEU HG 5.00
&rst
iat= 187, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 VAL HA 16 LEU QD1 6.00
&rst
iat= 187, 235, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 VAL HA 16 LEU QD2 6.00
&rst
iat= 187, 239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 VAL HA 16 LEU QQD 5.07
&rst
iat= 187, 233, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 13 VAL HA 17 ASP- HN 5.00
&rst
iat= 187, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 VAL HB 14 ALA HN 3.50
&rst
iat= 189, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 VAL QG1 14 ALA HN 6.00
&rst
iat= 190, 201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 VAL QG2 14 ALA HN 6.00
&rst
iat= 194, 201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 VAL QQG 16 LEU HA 7.56
&rst
iat= 188, 229, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 13 VAL QQG 17 ASP- HN 7.56
&rst
iat= 188, 246, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 13 VAL QQG 17 ASP- QB 9.44
&rst
iat= 188, 249, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, &end
#
# 14 ALA HN 14 ALA QB 3.60
&rst
iat= 201, 204, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 ALA HN 15 VAL HN 2.60
&rst
iat= 201, 211, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 14 ALA HA 17 ASP- HN 5.00
&rst
iat= 203, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ALA HA 17 ASP- QB 5.88
&rst
iat= 203, 249, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 14 ALA QB 15 VAL HN 3.60
&rst
iat= 204, 211, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 ALA QB 17 ASP- HN 6.00
&rst
iat= 204, 246, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ALA QB 17 ASP- HB2 6.00
&rst
iat= 204, 250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ALA QB 17 ASP- HB3 6.00
&rst
iat= 204, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ALA O 18 LEU HN 2.20
&rst
iat= 209, 258, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 15 VAL HN 15 VAL HB 2.60
&rst
iat= 211, 215, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 15 VAL HN 15 VAL QG1 4.50
&rst
iat= 211, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 VAL HN 15 VAL QG2 4.50
&rst
iat= 211, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 VAL HN 15 VAL QQG 3.76
&rst
iat= 211, 214, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 15 VAL HN 16 LEU HN 2.60
&rst
iat= 211, 227, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 15 VAL HA 15 VAL QG1 3.60
&rst
iat= 213, 216, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 VAL HA 15 VAL QG2 3.60
&rst
iat= 213, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 VAL HA 18 LEU HN 3.50
&rst
iat= 213, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 VAL HA 18 LEU HB2 5.00
&rst
iat= 213, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL HA 18 LEU HB3 5.00
&rst
iat= 213, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL HA 18 LEU QB 4.23
&rst
iat= 213, 261, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 VAL HA 18 LEU HG 5.00
&rst
iat= 213, 265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL HA 18 LEU QD1 6.00
&rst
iat= 213, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HA 18 LEU QD2 6.00
&rst
iat= 213, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HA 18 LEU QQD 5.07
&rst
iat= 213, 264, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 VAL HA 19 TYR CZ 8.20
&rst
iat= 213, 288, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 15 VAL HA 42 GLU- HG2 6.00
&rst
iat= 213, 663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HA 42 GLU- HG3 6.00
&rst
iat= 213, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HB 16 LEU HN 3.50
&rst
iat= 215, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 VAL QG1 16 LEU HN 6.00
&rst
iat= 216, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL QG1 19 TYR CZ 8.20
&rst
iat= 216, 288, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 15 VAL QG1 42 GLU- HB2 9.12
&rst
iat= 216, 660, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG1 42 GLU- HB3 9.12
&rst
iat= 216, 661, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG1 42 GLU- HG2 9.12
&rst
iat= 216, 663, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG1 42 GLU- HG3 9.12
&rst
iat= 216, 664, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG1 134 LEU QD1 10.12
&rst
iat= 216,2233, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 15 VAL QG1 134 LEU QD2 10.12
&rst
iat= 216,2237, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 15 VAL QG2 16 LEU HN 6.00
&rst
iat= 220, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL QG2 19 TYR CZ 8.20
&rst
iat= 220, 288, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 15 VAL QG2 42 GLU- HB2 9.12
&rst
iat= 220, 660, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG2 42 GLU- HB3 9.12
&rst
iat= 220, 661, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG2 42 GLU- HG2 9.12
&rst
iat= 220, 663, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG2 42 GLU- HG3 9.12
&rst
iat= 220, 664, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 15 VAL QG2 134 LEU QD1 10.12
&rst
iat= 220,2233, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 15 VAL QG2 134 LEU QD2 10.12
&rst
iat= 220,2237, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 15 VAL QQG 18 LEU HN 8.56
&rst
iat= 214, 258, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 15 VAL QQG 19 TYR CG 8.26
&rst
iat= 214, 283, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76, &end
#
# 15 VAL QQG 19 TYR CZ 6.93
&rst
iat= 214, 288, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 15 VAL QQG 19 TYR HH 7.56
&rst
iat= 214, 290, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 15 VAL QQG 42 GLU- HN 7.56
&rst
iat= 214, 656, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 15 VAL QQG 42 GLU- QB 6.80
&rst
iat= 214, 659, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 15 VAL QQG 42 GLU- QG 7.02
&rst
iat= 214, 662, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, &end
#
# 15 VAL QQG 44 GLU- HN 8.56
&rst
iat= 214, 688, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 15 VAL QQG 45 VAL HN 6.06
&rst
iat= 214, 703, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 15 VAL QQG 46 LEU HA 6.06
&rst
iat= 214, 721, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 15 VAL QQG 134 LEU QQD 8.42
&rst
iat= 214,2231, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, &end
#
# 15 VAL O 19 TYR HN 2.20
&rst
iat= 225, 277, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 16 LEU HN 16 LEU HB2 3.50
&rst
iat= 227, 231, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HN 16 LEU HB3 3.50
&rst
iat= 227, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HN 16 LEU HG 3.50
&rst
iat= 227, 234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HN 16 LEU QQD 6.07
&rst
iat= 227, 233, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 16 LEU HN 17 ASP- HN 3.50
&rst
iat= 227, 246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HA 19 TYR HN 3.50
&rst
iat= 229, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HA 19 TYR CG 4.80
&rst
iat= 229, 283, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 LEU HA 19 TYR CZ 5.70
&rst
iat= 229, 288, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 16 LEU HA 26 ILE QD1 6.00
&rst
iat= 229, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 LEU HB2 17 ASP- HN 5.00
&rst
iat= 231, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LEU HB3 17 ASP- HN 5.00
&rst
iat= 232, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LEU QB 17 ASP- HN 4.23
&rst
iat= 230, 246, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 16 LEU HG 17 ASP- HN 5.00
&rst
iat= 234, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LEU HG 19 TYR CG 7.20
&rst
iat= 234, 283, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 16 LEU QD1 19 TYR CG 6.70
&rst
iat= 235, 283, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 16 LEU QD1 19 TYR CZ 8.20
&rst
iat= 235, 288, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 16 LEU QD2 19 TYR CG 6.70
&rst
iat= 239, 283, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 16 LEU QD2 19 TYR CZ 8.20
&rst
iat= 239, 288, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 16 LEU QQD 17 ASP- HN 7.57
&rst
iat= 233, 246, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 16 LEU QQD 19 TYR QB 8.45
&rst
iat= 233, 280, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 16 LEU QQD 19 TYR CG 6.07
&rst
iat= 233, 283, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 16 LEU QQD 19 TYR CZ 7.32
&rst
iat= 233, 288, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, &end
#
# 16 LEU QQD 26 ILE QD1 8.57
&rst
iat= 233, 410, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 16 LEU O 20 GLU- HN 2.20
&rst
iat= 244, 298, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 17 ASP- HN 17 ASP- HB2 3.50
&rst
iat= 246, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ASP- HN 17 ASP- HB3 3.50
&rst
iat= 246, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ASP- HN 17 ASP- QB 2.96
&rst
iat= 246, 249, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 17 ASP- HN 18 LEU HN 2.60
&rst
iat= 246, 258, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 17 ASP- HN 19 TYR CZ 7.20
&rst
iat= 246, 288, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 17 ASP- HA 20 GLU- HN 3.50
&rst
iat= 248, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ASP- HA 20 GLU- QB 4.38
&rst
iat= 248, 301, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 17 ASP- HA 20 GLU- HG2 5.00
&rst
iat= 248, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASP- HA 20 GLU- HG3 5.00
&rst
iat= 248, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASP- HB2 18 LEU HN 5.00
&rst
iat= 250, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASP- HB3 18 LEU HN 5.00
&rst
iat= 251, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASP- QB 18 LEU HN 4.23
&rst
iat= 249, 258, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 18 LEU HN 18 LEU HB2 3.50
&rst
iat= 258, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LEU HN 18 LEU HB3 3.50
&rst
iat= 258, 263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LEU HN 18 LEU HG 3.50
&rst
iat= 258, 265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LEU HN 18 LEU QD1 6.00
&rst
iat= 258, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HN 18 LEU QD2 6.00
&rst
iat= 258, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HN 20 GLU- HN 5.00
&rst
iat= 258, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HN 134 LEU QD1 6.00
&rst
iat= 258,2233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HN 134 LEU QD2 6.00
&rst
iat= 258,2237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HA 18 LEU QD1 4.50
&rst
iat= 260, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LEU HA 18 LEU QD2 4.50
&rst
iat= 260, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LEU HA 18 LEU QQD 3.76
&rst
iat= 260, 264, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 18 LEU HA 21 GLN HB2 5.00
&rst
iat= 260, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HA 21 GLN HB3 5.00
&rst
iat= 260, 318, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HA 21 GLN HG2 6.00
&rst
iat= 260, 320, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HA 21 GLN HG3 6.00
&rst
iat= 260, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HB2 19 TYR HN 5.00
&rst
iat= 262, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HB2 134 LEU QD1 6.00
&rst
iat= 262,2233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HB2 134 LEU QD2 6.00
&rst
iat= 262,2237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HB3 19 TYR HN 5.00
&rst
iat= 263, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HB3 134 LEU QD1 6.00
&rst
iat= 263,2233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HB3 134 LEU QD2 6.00
&rst
iat= 263,2237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU QB 19 TYR HN 4.23
&rst
iat= 261, 277, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 18 LEU QB 134 LEU QQD 5.37
&rst
iat= 261,2231, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 18 LEU HG 19 TYR HN 5.00
&rst
iat= 265, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HG 134 LEU QD1 6.00
&rst
iat= 265,2233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU HG 134 LEU QD2 6.00
&rst
iat= 265,2237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU QD1 19 TYR HN 6.00
&rst
iat= 266, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU QD1 134 LEU QD1 8.64
&rst
iat= 266,2233, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 18 LEU QD1 134 LEU QD2 8.64
&rst
iat= 266,2237, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 18 LEU QD1 135 TYR CZ 8.20
&rst
iat= 266,2255, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 18 LEU QD1 137 GLY HA1 7.75
&rst
iat= 266,2291, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 18 LEU QD1 137 GLY HA2 7.75
&rst
iat= 266,2291, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 18 LEU QD2 19 TYR HN 6.00
&rst
iat= 270, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LEU QD2 134 LEU QD1 8.64
&rst
iat= 270,2233, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 18 LEU QD2 134 LEU QD2 8.64
&rst
iat= 270,2237, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 18 LEU QD2 135 TYR CZ 8.20
&rst
iat= 270,2255, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 18 LEU QD2 137 GLY HA1 7.75
&rst
iat= 270,2291, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 18 LEU QD2 137 GLY HA2 7.75
&rst
iat= 270,2291, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 18 LEU QQD 19 TYR CG 8.27
&rst
iat= 264, 283, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77, &end
#
# 18 LEU QQD 19 TYR CZ 8.27
&rst
iat= 264, 288, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77, &end
#
# 18 LEU QQD 134 LEU QQD 6.89
&rst
iat= 264,2231, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 18 LEU QQD 135 TYR CZ 7.32
&rst
iat= 264,2255, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, &end
#
# 18 LEU QQD 136 ARG+ HA 7.57
&rst
iat= 264,2267, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 18 LEU QQD 137 GLY QA 6.69
&rst
iat= 264,2290, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 19 TYR HN 19 TYR HB2 3.50
&rst
iat= 277, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 TYR HN 19 TYR HB3 3.50
&rst
iat= 277, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 TYR HN 19 TYR QB 2.96
&rst
iat= 277, 280, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 19 TYR HN 20 GLU- HN 3.50
&rst
iat= 277, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 TYR HN 26 ILE QD1 7.00
&rst
iat= 277, 410, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 19 TYR HN 134 LEU QD1 6.00
&rst
iat= 277,2233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HN 134 LEU QD2 6.00
&rst
iat= 277,2237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HA 24 ILE HB 3.50
&rst
iat= 279, 359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 TYR HA 24 ILE QG2 6.00
&rst
iat= 279, 360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HA 24 ILE QG1 5.88
&rst
iat= 279, 364, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 19 TYR HA 24 ILE QD1 4.50
&rst
iat= 279, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 TYR HA 134 LEU QD1 4.50
&rst
iat= 279,2233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 TYR HA 134 LEU QD2 4.50
&rst
iat= 279,2237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 TYR HA 134 LEU QQD 3.71
&rst
iat= 279,2231, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 19 TYR HB2 20 GLU- HN 5.00
&rst
iat= 281, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HB2 24 ILE HN 6.00
&rst
iat= 281, 355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HB2 26 ILE HG12 6.75
&rst
iat= 281, 408, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 19 TYR HB2 26 ILE HG13 6.75
&rst
iat= 281, 409, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 19 TYR HB2 26 ILE QD1 6.00
&rst
iat= 281, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HB3 20 GLU- HN 5.00
&rst
iat= 282, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HB3 24 ILE HN 6.00
&rst
iat= 282, 355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HB3 26 ILE HG12 6.75
&rst
iat= 282, 408, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 19 TYR HB3 26 ILE HG13 6.75
&rst
iat= 282, 409, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 19 TYR HB3 26 ILE QD1 6.00
&rst
iat= 282, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR QB 24 ILE HN 5.45
&rst
iat= 280, 355, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 19 TYR QB 24 ILE HB 5.88
&rst
iat= 280, 359, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 19 TYR QB 26 ILE QG1 5.60
&rst
iat= 280, 407, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 19 TYR QB 134 LEU QQD 9.45
&rst
iat= 280,2231, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 19 TYR CG 20 GLU- HN 7.20
&rst
iat= 283, 298, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 19 TYR CG 24 ILE QG2 6.70
&rst
iat= 283, 360, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 19 TYR CG 26 ILE HG12 7.20
&rst
iat= 283, 408, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 19 TYR CG 26 ILE HG13 7.20
&rst
iat= 283, 409, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 19 TYR CG 46 LEU QQD 9.77
&rst
iat= 283, 725, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, &end
#
# 19 TYR CG 49 ILE QG2 8.20
&rst
iat= 283, 778, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 19 TYR CG 134 LEU HG 7.20
&rst
iat= 283,2232, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 19 TYR CG 134 LEU QD1 6.70
&rst
iat= 283,2233, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 19 TYR CG 134 LEU QD2 6.70
&rst
iat= 283,2237, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 19 TYR HD1 24 ILE HN 5.00
&rst
iat= 285, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HD1 24 ILE HB 2.60
&rst
iat= 285, 359, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 19 TYR HE1 24 ILE HB 5.00
&rst
iat= 287, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR CZ 24 ILE QG2 5.80
&rst
iat= 288, 360, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 19 TYR CZ 45 VAL HB 7.20
&rst
iat= 288, 707, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 19 TYR CZ 46 LEU QQD 9.77
&rst
iat= 288, 725, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, &end
#
# 19 TYR CZ 49 ILE HB 5.70
&rst
iat= 288, 777, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 19 TYR CZ 49 ILE QG2 6.70
&rst
iat= 288, 778, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 19 TYR CZ 49 ILE QG1 8.08
&rst
iat= 288, 782, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 19 TYR CZ 50 GLU- HA 7.20
&rst
iat= 288, 794, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 19 TYR CZ 50 GLU- QB 8.08
&rst
iat= 288, 795, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 19 TYR CZ 53 ARG+ HD2 5.70
&rst
iat= 288, 848, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 19 TYR CZ 53 ARG+ HD3 5.70
&rst
iat= 288, 849, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 19 TYR CZ 134 LEU HG 7.20
&rst
iat= 288,2232, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 19 TYR CZ 134 LEU QD1 6.70
&rst
iat= 288,2233, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 19 TYR CZ 134 LEU QD2 6.70
&rst
iat= 288,2237, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 19 TYR HH 26 ILE QD1 6.00
&rst
iat= 290, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HH 49 ILE QG2 6.00
&rst
iat= 290, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HH 49 ILE QD1 4.50
&rst
iat= 290, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 TYR HH 50 GLU- HA 5.00
&rst
iat= 290, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HH 50 GLU- HB2 5.00
&rst
iat= 290, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HH 50 GLU- HB3 5.00
&rst
iat= 290, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HH 50 GLU- HG2 5.00
&rst
iat= 290, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HH 50 GLU- HG3 5.00
&rst
iat= 290, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 TYR HH 134 LEU QD1 6.00
&rst
iat= 290,2233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HH 134 LEU QD2 6.00
&rst
iat= 290,2237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TYR HH 134 LEU QQD 5.07
&rst
iat= 290,2231, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 20 GLU- HN 20 GLU- QB 3.77
&rst
iat= 298, 301, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 20 GLU- HN 20 GLU- HG2 5.00
&rst
iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU- HN 20 GLU- HG3 5.00
&rst
iat= 298, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU- HN 21 GLN HN 2.60
&rst
iat= 298, 313, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 20 GLU- HN 134 LEU QQD 8.57
&rst
iat= 298,2231, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 20 GLU- QB 24 ILE HN 6.88
&rst
iat= 301, 355, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 21 GLN HN 21 GLN QB 3.38
&rst
iat= 313, 316, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 21 GLN HN 21 GLN HG2 5.00
&rst
iat= 313, 320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 GLN HN 21 GLN HG3 5.00
&rst
iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 GLN HN 21 GLN QG 4.23
&rst
iat= 313, 319, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 GLN HN 22 SER HN 3.50
&rst
iat= 313, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLN HN 23 ASN HN 5.00
&rst
iat= 313, 341, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 GLN HB2 22 SER HN 5.00
&rst
iat= 317, 330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 GLN HB3 22 SER HN 5.00
&rst
iat= 318, 330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 SER HN 22 SER QB 3.38
&rst
iat= 330, 333, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 22 SER HN 23 ASN HN 2.60
&rst
iat= 330, 341, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 22 SER HN 23 ASN HA 5.00
&rst
iat= 330, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 SER HN 24 ILE HN 5.00
&rst
iat= 330, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 SER HN 134 LEU QQD 8.57
&rst
iat= 330,2231, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 22 SER HA 24 ILE HN 6.00
&rst
iat= 332, 355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 SER HA 134 LEU QD1 7.00
&rst
iat= 332,2233, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 SER HA 134 LEU QD2 7.00
&rst
iat= 332,2237, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 SER HB2 24 ILE HN 5.00
&rst
iat= 334, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 SER HB2 134 LEU QD1 7.75
&rst
iat= 334,2233, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 22 SER HB2 134 LEU QD2 7.75
&rst
iat= 334,2237, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 22 SER HB2 135 TYR HN 5.00
&rst
iat= 334,2244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 SER HB3 24 ILE HN 5.00
&rst
iat= 335, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 SER HB3 134 LEU QD1 7.75
&rst
iat= 335,2233, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 22 SER HB3 134 LEU QD2 7.75
&rst
iat= 335,2237, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 22 SER HB3 135 TYR HN 5.00
&rst
iat= 335,2244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 SER QB 134 LEU QQD 5.97
&rst
iat= 333,2231, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 22 SER QB 135 TYR HN 4.23
&rst
iat= 333,2244, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 23 ASN HN 23 ASN HA 2.60
&rst
iat= 341, 343, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 23 ASN HN 24 ILE HN 5.00
&rst
iat= 341, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 ASN HA 24 ILE HN 3.50
&rst
iat= 343, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ASN HB2 24 ILE HN 5.00
&rst
iat= 345, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 ASN HB3 24 ILE HN 5.00
&rst
iat= 346, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE HN 24 ILE HB 2.60
&rst
iat= 355, 359, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 24 ILE HN 24 ILE QG1 5.88
&rst
iat= 355, 364, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 24 ILE HN 24 ILE QD1 6.00
&rst
iat= 355, 367, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE HA 24 ILE QD1 4.50
&rst
iat= 357, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HA 25 ARG+ HN 2.60
&rst
iat= 357, 374, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 24 ILE HA 132 LYS+ HN 6.00
&rst
iat= 357,2181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE HA 132 LYS+ HB2 5.00
&rst
iat= 357,2185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE HA 132 LYS+ HB3 5.00
&rst
iat= 357,2186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE QG2 25 ARG+ HN 4.50
&rst
iat= 360, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE QG2 26 ILE HA 6.00
&rst
iat= 360, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE QG2 26 ILE QD1 5.50
&rst
iat= 360, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ILE QG2 53 ARG+ HE 4.50
&rst
iat= 360, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE QG2 132 LYS+ HN 7.00
&rst
iat= 360,2181, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 24 ILE QD1 25 ARG+ HN 6.00
&rst
iat= 367, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE QD1 53 ARG+ HE 6.00
&rst
iat= 367, 851, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE QD1 132 LYS+ HN 6.00
&rst
iat= 367,2181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE QD1 134 LEU QD1 7.00
&rst
iat= 367,2233, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 24 ILE QD1 134 LEU QD2 7.00
&rst
iat= 367,2237, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 ARG+ HN 129 GLU- HG2 6.00
&rst
iat= 374,2142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG+ HN 129 GLU- HG3 6.00
&rst
iat= 374,2143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG+ HA 25 ARG+ HE 6.00
&rst
iat= 376, 387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG+ HA 26 ILE HN 2.60
&rst
iat= 376, 398, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 25 ARG+ HA 126 TRP HZ3 6.00
&rst
iat= 376,2087, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG+ HA 126 TRP HH2 6.00
&rst
iat= 376,2085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG+ HB2 25 ARG+ HE 5.00
&rst
iat= 378, 387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HB2 26 ILE HN 5.00
&rst
iat= 378, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HB2 125 TYR CZ 7.20
&rst
iat= 378,2060, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 25 ARG+ HB2 126 TRP HH2 7.00
&rst
iat= 378,2085, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 ARG+ HB3 25 ARG+ HE 5.00
&rst
iat= 379, 387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HB3 26 ILE HN 5.00
&rst
iat= 379, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HB3 125 TYR CZ 7.20
&rst
iat= 379,2060, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 25 ARG+ HB3 126 TRP HH2 7.00
&rst
iat= 379,2085, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 ARG+ QG 26 ILE HN 5.88
&rst
iat= 380, 398, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 25 ARG+ QG 125 TYR CZ 8.08
&rst
iat= 380,2060, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 25 ARG+ QG 126 TRP HH2 6.88
&rst
iat= 380,2085, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 25 ARG+ HD2 126 TRP HZ2 6.00
&rst
iat= 384,2083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG+ HD2 126 TRP HH2 5.00
&rst
iat= 384,2085, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HD3 126 TRP HZ2 6.00
&rst
iat= 385,2083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG+ HD3 126 TRP HH2 5.00
&rst
iat= 385,2085, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HE 126 TRP HZ2 5.00
&rst
iat= 387,2083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HE 126 TRP HH2 3.50
&rst
iat= 387,2085, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ARG+ QH1 125 TYR CZ 5.70
&rst
iat= 388,2060, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 25 ARG+ QH1 126 TRP HZ2 5.00
&rst
iat= 388,2083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ILE HN 26 ILE HB 2.60
&rst
iat= 398, 402, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 26 ILE HN 26 ILE HG12 5.00
&rst
iat= 398, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ILE HN 26 ILE HG13 5.00
&rst
iat= 398, 409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ILE HN 26 ILE QD1 6.00
&rst
iat= 398, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE HN 126 TRP HZ3 6.00
&rst
iat= 398,2087, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE HN 126 TRP HH2 6.00
&rst
iat= 398,2085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE HA 27 PRO HD2 2.60
&rst
iat= 400, 418, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 26 ILE HA 27 PRO HD3 2.60
&rst
iat= 400, 419, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 26 ILE HA 30 ILE HG12 5.00
&rst
iat= 400, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ILE HA 30 ILE HG13 5.00
&rst
iat= 400, 465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ILE HA 30 ILE QD1 6.00
&rst
iat= 400, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE HA 31 ILE QD1 6.00
&rst
iat= 400, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE HA 126 TRP HE3 6.00
&rst
iat= 400,2089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE HA 126 TRP HZ3 5.00
&rst
iat= 400,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ILE HA 126 TRP HH2 6.00
&rst
iat= 400,2085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE QG2 27 PRO HD2 6.00
&rst
iat= 403, 418, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE QG2 27 PRO HD3 6.00
&rst
iat= 403, 419, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE QG2 56 TRP HD1 7.00
&rst
iat= 403, 905, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 ILE QG2 126 TRP HZ3 7.00
&rst
iat= 403,2087, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 ILE QD1 30 ILE HB 6.00
&rst
iat= 410, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE QD1 30 ILE QD1 7.00
&rst
iat= 410, 466, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 ILE QD1 31 ILE QG1 6.88
&rst
iat= 410, 482, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 26 ILE QD1 49 ILE HA 7.00
&rst
iat= 410, 775, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 ILE QD1 49 ILE QG2 4.60
&rst
iat= 410, 778, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 ILE QD1 49 ILE QD1 5.50
&rst
iat= 410, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ILE QD1 53 ARG+ HB2 6.00
&rst
iat= 410, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE QD1 53 ARG+ HB3 6.00
&rst
iat= 410, 843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ILE QD1 53 ARG+ QD 4.48
&rst
iat= 410, 847, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 26 ILE QD1 53 ARG+ HE 4.50
&rst
iat= 410, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ILE QD1 126 TRP HZ3 7.00
&rst
iat= 410,2087, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 PRO HA 28 SER HN 2.60
&rst
iat= 427, 431, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 27 PRO HA 126 TRP HE3 6.00
&rst
iat= 427,2089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 PRO HA 126 TRP HZ3 5.00
&rst
iat= 427,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 PRO HA 126 TRP HZ2 5.00
&rst
iat= 427,2083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 PRO HA 126 TRP HH2 3.50
&rst
iat= 427,2085, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 PRO QB 126 TRP HZ3 6.88
&rst
iat= 423,2087, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 27 PRO QB 126 TRP HH2 6.88
&rst
iat= 423,2085, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 27 PRO HG2 130 ASN HD21 5.23
&rst
iat= 421,2159, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 27 PRO HG2 130 ASN HD22 5.23
&rst
iat= 421,2160, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 27 PRO HG3 130 ASN HD21 5.23
&rst
iat= 422,2159, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 27 PRO HG3 130 ASN HD22 5.23
&rst
iat= 422,2160, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 27 PRO QG 126 TRP HE3 5.88
&rst
iat= 420,2089, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 27 PRO QG 126 TRP HZ3 5.88
&rst
iat= 420,2087, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 27 PRO QG 126 TRP HH2 6.88
&rst
iat= 420,2085, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 27 PRO QG 130 ASN QD2 4.21
&rst
iat= 420,2158, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 27 PRO QD 30 ILE QD1 6.88
&rst
iat= 417, 466, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 27 PRO QD 56 TRP HD1 5.88
&rst
iat= 417, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 28 SER HN 28 SER QB 3.77
&rst
iat= 431, 434, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 28 SER HN 29 ASP- HN 3.50
&rst
iat= 431, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 SER HN 31 ILE HN 5.00
&rst
iat= 431, 473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 SER HN 31 ILE QD1 6.00
&rst
iat= 431, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 SER HA 31 ILE HN 3.50
&rst
iat= 433, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 SER HA 31 ILE QG2 4.50
&rst
iat= 433, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 SER HA 31 ILE HG12 5.00
&rst
iat= 433, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 SER HA 31 ILE HG13 5.00
&rst
iat= 433, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 SER HA 31 ILE QG1 4.23
&rst
iat= 433, 482, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 28 SER HA 31 ILE QD1 4.50
&rst
iat= 433, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 SER HB2 29 ASP- HN 5.00
&rst
iat= 435, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 SER HB3 29 ASP- HN 5.00
&rst
iat= 436, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 SER O 32 GLU- HN 2.20
&rst
iat= 440, 492, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 29 ASP- HN 29 ASP- QB 3.76
&rst
iat= 442, 445, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 29 ASP- HN 30 ILE HN 3.50
&rst
iat= 442, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP- HN 56 TRP HZ2 5.00
&rst
iat= 442, 910, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP- HA 32 GLU- HN 3.50
&rst
iat= 444, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP- HA 32 GLU- HB2 3.50
&rst
iat= 444, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP- HA 32 GLU- HB3 3.50
&rst
iat= 444, 497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP- HA 32 GLU- HG2 5.00
&rst
iat= 444, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP- HA 32 GLU- HG3 5.00
&rst
iat= 444, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP- HA 33 ASP- HN 5.00
&rst
iat= 444, 507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP- HA 33 ASP- QB 6.88
&rst
iat= 444, 510, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 29 ASP- HA 56 TRP HZ2 5.00
&rst
iat= 444, 910, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP- HB2 56 TRP HZ2 3.50
&rst
iat= 446, 910, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP- HB3 56 TRP HZ2 3.50
&rst
iat= 447, 910, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP- QB 56 TRP HD1 6.88
&rst
iat= 445, 905, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 30 ILE HN 30 ILE HG12 5.00
&rst
iat= 454, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HN 30 ILE HG13 5.00
&rst
iat= 454, 465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HN 30 ILE QG1 4.23
&rst
iat= 454, 463, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 30 ILE HN 30 ILE QD1 6.00
&rst
iat= 454, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 ILE HN 31 ILE HN 3.50
&rst
iat= 454, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ILE HA 33 ASP- HN 5.00
&rst
iat= 456, 507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HA 33 ASP- HB2 5.00
&rst
iat= 456, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HA 33 ASP- HB3 5.00
&rst
iat= 456, 512, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HA 34 LEU QQD 7.57
&rst
iat= 456, 525, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 30 ILE HA 48 TYR CZ 7.20
&rst
iat= 456, 763, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 30 ILE HB 31 ILE HN 5.00
&rst
iat= 458, 473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HB 56 TRP HD1 5.00
&rst
iat= 458, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE QG2 53 ARG+ HN 7.00
&rst
iat= 459, 838, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ILE QG2 56 TRP HD1 6.00
&rst
iat= 459, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 ILE HG12 56 TRP HD1 5.00
&rst
iat= 464, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HG13 56 TRP HD1 5.00
&rst
iat= 465, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ILE QG1 56 TRP HD1 4.23
&rst
iat= 463, 905, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 30 ILE QD1 52 GLN HN 7.00
&rst
iat= 466, 821, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ILE QD1 53 ARG+ HN 6.00
&rst
iat= 466, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 ILE QD1 55 TYR CG 8.20
&rst
iat= 466, 882, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 30 ILE QD1 56 TRP HN 7.00
&rst
iat= 466, 897, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ILE QD1 56 TRP HD1 4.50
&rst
iat= 466, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE O 34 LEU HN 2.20
&rst
iat= 471, 519, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 31 ILE HN 31 ILE HB 2.60
&rst
iat= 473, 477, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 31 ILE HN 31 ILE HG12 3.50
&rst
iat= 473, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HN 31 ILE HG13 3.50
&rst
iat= 473, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HN 31 ILE QD1 6.00
&rst
iat= 473, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ILE HN 32 GLU- HN 2.60
&rst
iat= 473, 492, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 31 ILE HA 31 ILE QG2 3.50
&rst
iat= 475, 478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HA 31 ILE QG1 3.80
&rst
iat= 475, 482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 ILE HA 31 ILE QD1 4.50
&rst
iat= 475, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE HA 34 LEU HN 5.00
&rst
iat= 475, 519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ILE HA 34 LEU HB2 3.50
&rst
iat= 475, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HA 34 LEU HB3 3.50
&rst
iat= 475, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HA 34 LEU HG 5.00
&rst
iat= 475, 526, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ILE HA 34 LEU QD1 6.00
&rst
iat= 475, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ILE HA 34 LEU QD2 6.00
&rst
iat= 475, 531, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ILE HA 34 LEU QQD 5.07
&rst
iat= 475, 525, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 31 ILE HA 35 VAL HN 5.00
&rst
iat= 475, 538, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ILE QG1 32 GLU- HN 5.88
&rst
iat= 482, 492, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 32 GLU- HN 32 GLU- HG2 5.00
&rst
iat= 492, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 GLU- HN 32 GLU- HG3 5.00
&rst
iat= 492, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 GLU- HN 33 ASP- HN 3.50
&rst
iat= 492, 507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLU- HA 35 VAL QQG 6.06
&rst
iat= 494, 541, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 32 GLU- QB 33 ASP- HN 4.38
&rst
iat= 495, 507, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 32 GLU- HG2 33 ASP- HN 5.00
&rst
iat= 499, 507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 GLU- HG3 33 ASP- HN 5.00
&rst
iat= 500, 507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ASP- HN 33 ASP- QB 3.76
&rst
iat= 507, 510, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 33 ASP- HN 34 LEU HN 2.60
&rst
iat= 507, 519, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 33 ASP- HN 48 TYR CZ 8.20
&rst
iat= 507, 763, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 33 ASP- HA 36 ASN HN 5.00
&rst
iat= 509, 554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ASP- HA 36 ASN HD21 3.50
&rst
iat= 509, 563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 ASP- HA 36 ASN HD22 3.50
&rst
iat= 509, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 ASP- HA 37 GLN HN 5.00
&rst
iat= 509, 568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ASP- HA 48 TYR CZ 7.20
&rst
iat= 509, 763, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 33 ASP- HB2 34 LEU HN 5.00
&rst
iat= 511, 519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ASP- HB3 34 LEU HN 5.00
&rst
iat= 512, 519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HN 34 LEU QB 3.76
&rst
iat= 519, 522, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 34 LEU HN 34 LEU QD1 6.00
&rst
iat= 519, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HN 34 LEU QD2 6.00
&rst
iat= 519, 531, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HN 35 VAL HN 3.50
&rst
iat= 519, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 LEU HN 48 TYR CZ 7.20
&rst
iat= 519, 763, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 34 LEU HA 34 LEU QD1 6.00
&rst
iat= 521, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HA 34 LEU QD2 6.00
&rst
iat= 521, 531, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HA 37 GLN HN 5.00
&rst
iat= 521, 568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HA 37 GLN HG2 5.00
&rst
iat= 521, 575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HA 37 GLN HG3 5.00
&rst
iat= 521, 576, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HA 37 GLN QG 4.23
&rst
iat= 521, 574, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 34 LEU HA 48 TYR CG 7.20
&rst
iat= 521, 758, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 34 LEU HA 48 TYR CZ 4.80
&rst
iat= 521, 763, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 34 LEU QB 35 VAL HN 5.88
&rst
iat= 522, 538, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 34 LEU QB 48 TYR CG 8.08
&rst
iat= 522, 758, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 34 LEU QB 48 TYR CZ 8.08
&rst
iat= 522, 763, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 34 LEU QB 49 ILE QG2 6.88
&rst
iat= 522, 778, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 34 LEU HG 35 VAL HN 5.00
&rst
iat= 526, 538, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HG 48 TYR CG 7.20
&rst
iat= 526, 758, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 34 LEU HG 48 TYR CZ 7.20
&rst
iat= 526, 763, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 34 LEU HG 49 ILE QG2 6.00
&rst
iat= 526, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU QD1 39 LEU QD1 7.64
&rst
iat= 527, 617, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 34 LEU QD1 39 LEU QD2 7.64
&rst
iat= 527, 621, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 34 LEU QD1 48 TYR CG 6.70
&rst
iat= 527, 758, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 34 LEU QD1 48 TYR CZ 6.70
&rst
iat= 527, 763, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 34 LEU QD1 49 ILE HA 6.00
&rst
iat= 527, 775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU QD2 39 LEU QD1 7.64
&rst
iat= 531, 617, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 34 LEU QD2 39 LEU QD2 7.64
&rst
iat= 531, 621, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 34 LEU QD2 48 TYR CG 6.70
&rst
iat= 531, 758, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 34 LEU QD2 48 TYR CZ 6.70
&rst
iat= 531, 763, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 34 LEU QD2 49 ILE HA 6.00
&rst
iat= 531, 775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU QQD 39 LEU QQD 5.86
&rst
iat= 525, 615, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 34 LEU QQD 45 VAL QQG 7.63
&rst
iat= 525, 706, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, &end
#
# 34 LEU QQD 48 TYR QB 8.45
&rst
iat= 525, 755, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 34 LEU QQD 48 TYR CG 6.07
&rst
iat= 525, 758, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 34 LEU QQD 48 TYR CZ 6.07
&rst
iat= 525, 763, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 34 LEU QQD 49 ILE HN 7.57
&rst
iat= 525, 773, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 34 LEU QQD 49 ILE HA 5.07
&rst
iat= 525, 775, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 34 LEU QQD 49 ILE HB 6.07
&rst
iat= 525, 777, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 34 LEU QQD 49 ILE QG2 7.07
&rst
iat= 525, 778, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 34 LEU QQD 49 ILE QD1 7.07
&rst
iat= 525, 785, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 35 VAL HN 35 VAL HB 2.60
&rst
iat= 538, 542, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 35 VAL HN 35 VAL QG1 4.50
&rst
iat= 538, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 VAL HN 35 VAL QG2 4.50
&rst
iat= 538, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 VAL HN 35 VAL QQG 3.76
&rst
iat= 538, 541, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 VAL HN 36 ASN HN 3.50
&rst
iat= 538, 554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 VAL HA 37 GLN HN 5.00
&rst
iat= 540, 568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 VAL HB 36 ASN HN 5.00
&rst
iat= 542, 554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 VAL QG1 36 ASN HN 6.00
&rst
iat= 543, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 VAL QG1 36 ASN HD21 10.12
&rst
iat= 543, 563, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 35 VAL QG1 36 ASN HD22 10.12
&rst
iat= 543, 564, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 35 VAL QG2 36 ASN HN 6.00
&rst
iat= 547, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 VAL QG2 36 ASN HD21 10.12
&rst
iat= 547, 563, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 35 VAL QG2 36 ASN HD22 10.12
&rst
iat= 547, 564, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 35 VAL QQG 36 ASN QD2 8.52
&rst
iat= 541, 562, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, &end
#
# 36 ASN HN 36 ASN QB 3.77
&rst
iat= 554, 557, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 36 ASN HN 36 ASN QD2 6.87
&rst
iat= 554, 562, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, &end
#
# 36 ASN HN 37 GLN HN 3.50
&rst
iat= 554, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLN HN 37 GLN QB 3.77
&rst
iat= 568, 571, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 37 GLN HN 37 GLN HG2 5.00
&rst
iat= 568, 575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 GLN HN 37 GLN HG3 5.00
&rst
iat= 568, 576, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 GLN HN 37 GLN QG 4.23
&rst
iat= 568, 574, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 37 GLN HN 37 GLN HE21 6.00
&rst
iat= 568, 580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 GLN HN 37 GLN HE22 6.00
&rst
iat= 568, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 GLN HN 38 ARG+ HN 3.50
&rst
iat= 568, 585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLN HN 39 LEU QQD 7.57
&rst
iat= 568, 615, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 37 GLN HN 48 TYR CZ 7.20
&rst
iat= 568, 763, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 37 GLN HA 38 ARG+ HN 3.50
&rst
iat= 570, 585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLN HB2 39 LEU QD1 9.14
&rst
iat= 572, 617, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 37 GLN HB2 39 LEU QD2 9.14
&rst
iat= 572, 621, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 37 GLN HB3 39 LEU QD1 9.14
&rst
iat= 573, 617, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 37 GLN HB3 39 LEU QD2 9.14
&rst
iat= 573, 621, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 37 GLN QB 39 LEU QQD 6.80
&rst
iat= 571, 615, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 37 GLN QB 48 TYR CZ 8.08
&rst
iat= 571, 763, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 37 GLN HG2 48 TYR CZ 5.70
&rst
iat= 575, 763, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 37 GLN HG3 48 TYR CZ 5.70
&rst
iat= 576, 763, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 37 GLN QG 38 ARG+ HN 5.88
&rst
iat= 574, 585, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 37 GLN QG 39 LEU QQD 8.45
&rst
iat= 574, 615, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 37 GLN QG 48 TYR CG 6.58
&rst
iat= 574, 758, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 38 ARG+ HN 38 ARG+ HG2 5.00
&rst
iat= 585, 592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ARG+ HN 38 ARG+ HG3 5.00
&rst
iat= 585, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ARG+ HN 45 VAL QQG 7.56
#&rst
# iat= 585, 706, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 38 ARG+ HA 39 LEU HN 2.60
&rst
iat= 587, 609, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 38 ARG+ QB 38 ARG+ HE 6.88
&rst
iat= 588, 598, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 38 ARG+ QB 45 VAL QQG 6.94
#&rst
# iat= 588, 706, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 39 LEU HN 39 LEU HG 2.60
&rst
iat= 609, 616, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 39 LEU HN 39 LEU QQD 7.57
&rst
iat= 609, 615, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 39 LEU HA 39 LEU HG 3.50
&rst
iat= 611, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 LEU HA 39 LEU QD1 6.00
&rst
iat= 611, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LEU HA 39 LEU QD2 6.00
&rst
iat= 611, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LEU HA 40 GLN HN 2.60
&rst
iat= 611, 628, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 39 LEU HA 41 SER HN 5.00
&rst
iat= 611, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 LEU HA 44 GLU- HB2 5.00
&rst
iat= 611, 692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 LEU HA 44 GLU- HB3 5.00
&rst
iat= 611, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 LEU HA 45 VAL QQG 7.56
&rst
iat= 611, 706, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 39 LEU HB2 40 GLN HN 3.50
&rst
iat= 613, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 LEU HB3 40 GLN HN 3.50
&rst
iat= 614, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 LEU QB 41 SER HN 5.88
&rst
iat= 612, 645, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 39 LEU HG 45 VAL HA 5.00
&rst
iat= 616, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 LEU HG 45 VAL QQG 7.56
&rst
iat= 616, 706, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 39 LEU HG 48 TYR CZ 7.20
&rst
iat= 616, 763, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 39 LEU QD1 44 GLU- HB2 9.14
&rst
iat= 617, 692, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 39 LEU QD1 44 GLU- HB3 9.14
&rst
iat= 617, 693, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 39 LEU QD1 45 VAL HA 6.00
&rst
iat= 617, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LEU QD1 45 VAL QG1 10.14
&rst
iat= 617, 708, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 39 LEU QD1 45 VAL QG2 10.14
&rst
iat= 617, 712, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 39 LEU QD1 48 TYR HB2 7.64
&rst
iat= 617, 756, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 39 LEU QD1 48 TYR HB3 7.64
&rst
iat= 617, 757, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 39 LEU QD1 48 TYR CG 6.70
&rst
iat= 617, 758, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 39 LEU QD1 48 TYR CZ 8.20
&rst
iat= 617, 763, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 39 LEU QD2 44 GLU- HB2 9.14
&rst
iat= 621, 692, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 39 LEU QD2 44 GLU- HB3 9.14
&rst
iat= 621, 693, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 39 LEU QD2 45 VAL HA 6.00
&rst
iat= 621, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LEU QD2 45 VAL QG1 10.14
&rst
iat= 621, 708, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 39 LEU QD2 45 VAL QG2 10.14
&rst
iat= 621, 712, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 39 LEU QD2 48 TYR HB2 7.64
&rst
iat= 621, 756, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 39 LEU QD2 48 TYR HB3 7.64
&rst
iat= 621, 757, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 39 LEU QD2 48 TYR CG 6.70
&rst
iat= 621, 758, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 39 LEU QD2 48 TYR CZ 8.20
&rst
iat= 621, 763, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 39 LEU QQD 40 GLN HN 7.57
&rst
iat= 615, 628, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 39 LEU QQD 41 SER HN 7.57
&rst
iat= 615, 645, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 39 LEU QQD 44 GLU- HA 7.57
&rst
iat= 615, 690, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 39 LEU QQD 44 GLU- QB 7.52
&rst
iat= 615, 691, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, &end
#
# 39 LEU QQD 45 VAL HN 7.57
&rst
iat= 615, 703, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 39 LEU QQD 45 VAL HA 4.69
&rst
iat= 615, 705, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 39 LEU QQD 45 VAL QQG 7.26
&rst
iat= 615, 706, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, &end
#
# 39 LEU QQD 46 LEU HN 8.57
&rst
iat= 615, 719, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 39 LEU QQD 48 TYR HN 7.57
&rst
iat= 615, 752, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 39 LEU QQD 48 TYR HA 7.57
&rst
iat= 615, 754, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 39 LEU QQD 48 TYR QB 6.01
&rst
iat= 615, 755, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 40 GLN HN 40 GLN QB 3.77
&rst
iat= 628, 631, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 40 GLN HN 40 GLN QG 5.88
&rst
iat= 628, 634, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 40 GLN HN 41 SER HN 2.60
&rst
iat= 628, 645, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 40 GLN HN 44 GLU- QB 6.88
&rst
iat= 628, 691, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 40 GLN HN 45 VAL HN 6.00
&rst
iat= 628, 703, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 GLN HN 45 VAL QQG 7.56
&rst
iat= 628, 706, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 40 GLN HA 45 VAL QQG 8.56
&rst
iat= 630, 706, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 41 SER HN 41 SER QB 3.77
&rst
iat= 645, 648, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 SER HN 42 GLU- HN 5.00
&rst
iat= 645, 656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 SER HN 44 GLU- HN 5.00
&rst
iat= 645, 688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 SER HN 45 VAL QQG 8.56
&rst
iat= 645, 706, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 41 SER HA 42 GLU- HN 2.60
&rst
iat= 647, 656, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 41 SER HA 43 GLN HN 5.00
&rst
iat= 647, 671, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 SER HA 44 GLU- HN 5.00
&rst
iat= 647, 688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 SER HA 44 GLU- QB 5.88
&rst
iat= 647, 691, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 41 SER HA 45 VAL QQG 8.56
&rst
iat= 647, 706, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 41 SER HB2 42 GLU- HN 5.00
&rst
iat= 649, 656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 SER HB3 42 GLU- HN 5.00
&rst
iat= 650, 656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 SER QB 42 GLU- HN 4.23
&rst
iat= 648, 656, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 41 SER QB 43 GLN HN 5.88
&rst
iat= 648, 671, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 42 GLU- HN 42 GLU- QB 3.77
&rst
iat= 656, 659, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 42 GLU- HN 42 GLU- HG2 5.00
&rst
iat= 656, 663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU- HN 42 GLU- HG3 5.00
&rst
iat= 656, 664, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU- HN 42 GLU- QG 4.23
&rst
iat= 656, 662, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 42 GLU- HN 43 GLN HN 3.50
&rst
iat= 656, 671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU- HN 45 VAL QQG 7.56
&rst
iat= 656, 706, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 42 GLU- HA 43 GLN HN 3.50
&rst
iat= 658, 671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU- HA 45 VAL HN 5.00
&rst
iat= 658, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU- HA 45 VAL QQG 6.06
&rst
iat= 658, 706, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 42 GLU- QG 43 GLN HN 5.88
&rst
iat= 662, 671, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 43 GLN HN 43 GLN QB 3.38
&rst
iat= 671, 674, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 43 GLN HN 44 GLU- HN 2.60
&rst
iat= 671, 688, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 43 GLN HA 45 VAL QQG 8.56
&rst
iat= 673, 706, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 43 GLN HA 46 LEU HN 3.50
&rst
iat= 673, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 GLN HA 46 LEU QB 4.38
&rst
iat= 673, 722, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 43 GLN HA 46 LEU HG 5.00
&rst
iat= 673, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 GLN HA 46 LEU QQD 7.57
&rst
iat= 673, 725, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 43 GLN HA 47 ASN HN 5.00
&rst
iat= 673, 738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 GLN HE21 47 ASN HD21 6.73
&rst
iat= 683, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 43 GLN HE21 47 ASN HD22 6.73
&rst
iat= 683, 748, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 43 GLN HE21 140 LYS+ HN 5.00
&rst
iat= 683,2326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 GLN HE21 140 LYS+ HB2 6.75
&rst
iat= 683,2330, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 43 GLN HE21 140 LYS+ HB3 6.75
&rst
iat= 683,2331, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 43 GLN HE22 47 ASN HD21 6.73
&rst
iat= 684, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 43 GLN HE22 47 ASN HD22 6.73
&rst
iat= 684, 748, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 43 GLN HE22 140 LYS+ HN 5.00
&rst
iat= 684,2326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 GLN HE22 140 LYS+ HB2 6.75
&rst
iat= 684,2330, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 43 GLN HE22 140 LYS+ HB3 6.75
&rst
iat= 684,2331, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 43 GLN QE2 46 LEU QB 7.74
&rst
iat= 682, 722, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, &end
#
# 43 GLN QE2 46 LEU QQD 9.44
&rst
iat= 682, 725, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, &end
#
# 43 GLN QE2 47 ASN QD2 5.80
&rst
iat= 682, 746, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 43 GLN QE2 139 LEU QB 7.74
&rst
iat= 682,2310, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, &end
#
# 43 GLN QE2 140 LYS+ HN 4.23
&rst
iat= 682,2326, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 43 GLN QE2 140 LYS+ QB 5.81
&rst
iat= 682,2329, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 43 GLN O 47 ASN HN 2.20
&rst
iat= 686, 738, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 44 GLU- HN 44 GLU- QB 3.77
&rst
iat= 688, 691, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 44 GLU- HN 45 VAL HN 2.60
&rst
iat= 688, 703, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 44 GLU- HA 47 ASN HN 3.50
&rst
iat= 690, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 GLU- HA 47 ASN QB 4.38
&rst
iat= 690, 741, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 44 GLU- HA 47 ASN HD21 5.00
&rst
iat= 690, 747, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- HA 47 ASN HD22 5.00
&rst
iat= 690, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- HB2 45 VAL HN 5.00
&rst
iat= 692, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- HB3 45 VAL HN 5.00
&rst
iat= 693, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- HG2 47 ASN HD21 5.00
&rst
iat= 695, 747, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- HG2 47 ASN HD22 5.00
&rst
iat= 695, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- HG3 47 ASN HD21 5.00
&rst
iat= 696, 747, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- HG3 47 ASN HD22 5.00
&rst
iat= 696, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 GLU- QG 47 ASN HN 5.88
&rst
iat= 694, 738, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 44 GLU- O 48 TYR HN 2.20
&rst
iat= 701, 752, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 45 VAL HN 45 VAL QQG 4.01
&rst
iat= 703, 706, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 45 VAL HN 46 LEU HN 2.60
&rst
iat= 703, 719, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 45 VAL HA 48 TYR HN 5.00
&rst
iat= 705, 752, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 VAL HA 48 TYR HB2 5.00
&rst
iat= 705, 756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 VAL HA 48 TYR HB3 5.00
&rst
iat= 705, 757, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 VAL HA 49 ILE HN 5.00
&rst
iat= 705, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 VAL HB 49 ILE QG2 6.00
&rst
iat= 707, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 VAL QG1 49 ILE HG12 7.75
&rst
iat= 708, 783, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 45 VAL QG1 49 ILE HG13 7.75
&rst
iat= 708, 784, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 45 VAL QG2 49 ILE HG12 7.75
&rst
iat= 712, 783, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 45 VAL QG2 49 ILE HG13 7.75
&rst
iat= 712, 784, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 45 VAL QQG 46 LEU HN 7.56
&rst
iat= 706, 719, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 45 VAL QQG 48 TYR CG 9.76
&rst
iat= 706, 758, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, &end
#
# 45 VAL QQG 49 ILE HN 6.06
&rst
iat= 706, 773, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 45 VAL QQG 49 ILE HA 8.56
&rst
iat= 706, 775, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 45 VAL QQG 49 ILE QG2 7.06
&rst
iat= 706, 778, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end
#
# 45 VAL QQG 49 ILE QG1 6.70
&rst
iat= 706, 782, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 45 VAL QQG 50 GLU- HN 8.56
&rst
iat= 706, 792, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 45 VAL O 49 ILE HN 2.20
&rst
iat= 717, 773, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 46 LEU HN 46 LEU HG 2.60
&rst
iat= 719, 726, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 46 LEU HN 46 LEU QQD 7.57
&rst
iat= 719, 725, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 46 LEU HN 47 ASN HN 3.50
&rst
iat= 719, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 LEU HA 49 ILE HN 5.00
&rst
iat= 721, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 LEU HA 49 ILE QG2 4.50
&rst
iat= 721, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LEU HG 47 ASN HN 3.50
&rst
iat= 726, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 LEU QD1 136 ARG+ HE 6.00
&rst
iat= 727,2278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 LEU QD2 136 ARG+ HE 6.00
&rst
iat= 731,2278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 LEU QQD 47 ASN HN 7.57
&rst
iat= 725, 738, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 46 LEU QQD 49 ILE HN 7.57
&rst
iat= 725, 773, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 46 LEU QQD 50 GLU- HN 7.57
&rst
iat= 725, 792, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 46 LEU QQD 136 ARG+ QD 8.45
&rst
iat= 725,2274, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 46 LEU O 50 GLU- HN 2.20
&rst
iat= 736, 792, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 47 ASN HN 47 ASN QB 3.77
&rst
iat= 738, 741, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 47 ASN HN 48 TYR HN 3.50
&rst
iat= 738, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 ASN HA 50 GLU- HN 5.00
&rst
iat= 740, 792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 ASN HA 50 GLU- HB2 5.00
&rst
iat= 740, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 ASN HA 50 GLU- HB3 5.00
&rst
iat= 740, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 ASN HA 50 GLU- QB 4.23
&rst
iat= 740, 795, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 47 ASN O 51 THR HN 2.20
&rst
iat= 750, 807, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 48 TYR HN 48 TYR HB2 3.50
&rst
iat= 752, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TYR HN 48 TYR HB3 3.50
&rst
iat= 752, 757, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TYR HN 48 TYR QB 2.96
&rst
iat= 752, 755, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 48 TYR HN 49 ILE HN 3.50
&rst
iat= 752, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TYR HA 51 THR QG2 6.00
&rst
iat= 754, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 TYR HB2 49 ILE HN 5.00
&rst
iat= 756, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 TYR HB3 49 ILE HN 5.00
&rst
iat= 757, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 TYR QB 49 ILE HN 4.23
&rst
iat= 755, 773, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 48 TYR CG 52 GLN QB 8.08
&rst
iat= 758, 824, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 48 TYR CG 52 GLN QG 8.08
&rst
iat= 758, 827, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 48 TYR CZ 52 GLN QG 6.58
&rst
iat= 763, 827, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 48 TYR O 52 GLN HN 2.20
&rst
iat= 771, 821, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 49 ILE HN 49 ILE QD1 6.00
&rst
iat= 773, 785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE HN 50 GLU- HN 3.50
&rst
iat= 773, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ILE HA 52 GLN HN 3.50
&rst
iat= 775, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ILE HA 52 GLN HG2 5.00
&rst
iat= 775, 828, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 ILE HA 52 GLN HG3 5.00
&rst
iat= 775, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 ILE HA 53 ARG+ HN 5.00
&rst
iat= 775, 838, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 ILE QG2 50 GLU- HN 6.00
&rst
iat= 778, 792, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE QG2 52 GLN HN 6.00
&rst
iat= 778, 821, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE QG2 52 GLN QB 7.88
&rst
iat= 778, 824, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, &end
#
# 49 ILE QG2 53 ARG+ HN 6.00
&rst
iat= 778, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE QG2 53 ARG+ HB2 6.00
&rst
iat= 778, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE QG2 53 ARG+ HB3 6.00
&rst
iat= 778, 843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE QG2 53 ARG+ QB 5.23
&rst
iat= 778, 841, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 49 ILE QG2 53 ARG+ HD2 6.00
&rst
iat= 778, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE QG2 53 ARG+ HD3 6.00
&rst
iat= 778, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ILE QG2 53 ARG+ QD 5.23
&rst
iat= 778, 847, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 49 ILE QG2 134 LEU QQD 9.57
&rst
iat= 778,2231, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07, &end
#
# 49 ILE O 53 ARG+ HN 2.20
&rst
iat= 790, 838, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 50 GLU- HN 50 GLU- QB 3.38
&rst
iat= 792, 795, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 50 GLU- HN 50 GLU- QG 5.88
&rst
iat= 792, 798, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 50 GLU- HN 51 THR HN 3.50
&rst
iat= 792, 807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLU- QB 134 LEU QQD 9.45
&rst
iat= 795,2231, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 50 GLU- QG 134 LEU QQD 9.45
&rst
iat= 798,2231, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 50 GLU- O 54 THR HN 2.20
&rst
iat= 805, 862, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 51 THR HN 51 THR HB 3.50
&rst
iat= 807, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 THR HN 52 GLN HN 3.50
&rst
iat= 807, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 THR HN 53 ARG+ HN 5.00
&rst
iat= 807, 838, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 THR HA 54 THR HN 5.00
&rst
iat= 809, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 THR HA 54 THR HB 3.50
&rst
iat= 809, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 THR HA 54 THR QG2 6.00
&rst
iat= 809, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 THR HA 55 TYR HN 5.00
&rst
iat= 809, 876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 THR HB 52 GLN HN 5.00
&rst
iat= 811, 821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 THR QG2 52 GLN HN 6.00
&rst
iat= 812, 821, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 THR O 55 TYR HN 2.20
&rst
iat= 819, 876, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 52 GLN HN 52 GLN HB2 3.50
&rst
iat= 821, 825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLN HN 52 GLN HB3 3.50
&rst
iat= 821, 826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLN HN 52 GLN QB 2.96
&rst
iat= 821, 824, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 52 GLN HN 52 GLN HG2 5.00
&rst
iat= 821, 828, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLN HN 52 GLN HG3 5.00
&rst
iat= 821, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLN HN 53 ARG+ HN 3.50
&rst
iat= 821, 838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLN HA 52 GLN HE21 6.00
&rst
iat= 823, 833, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 GLN HA 52 GLN HE22 6.00
&rst
iat= 823, 834, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 GLN HA 52 GLN QE2 5.45
&rst
iat= 823, 832, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 52 GLN HA 55 TYR HB2 3.50
&rst
iat= 823, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLN HA 55 TYR HB3 3.50
&rst
iat= 823, 881, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLN HA 55 TYR CG 5.70
&rst
iat= 823, 882, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 52 GLN HA 56 TRP HN 5.00
&rst
iat= 823, 897, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLN HA 56 TRP HD1 6.00
&rst
iat= 823, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 GLN HB2 52 GLN HE21 5.00
&rst
iat= 825, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLN HB2 52 GLN HE22 5.00
&rst
iat= 825, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLN HB3 52 GLN HE21 5.00
&rst
iat= 826, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLN HB3 52 GLN HE22 5.00
&rst
iat= 826, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 GLN QB 52 GLN QE2 4.51
&rst
iat= 824, 832, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 52 GLN QG 53 ARG+ HN 5.88
&rst
iat= 827, 838, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 52 GLN QG 56 TRP HD1 6.88
&rst
iat= 827, 905, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 52 GLN O 56 TRP HN 2.20
&rst
iat= 836, 897, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 53 ARG+ HN 53 ARG+ QB 3.77
&rst
iat= 838, 841, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 53 ARG+ HN 53 ARG+ HG2 5.00
&rst
iat= 838, 845, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 ARG+ HN 53 ARG+ HG3 5.00
&rst
iat= 838, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 ARG+ HN 53 ARG+ QG 4.23
&rst
iat= 838, 844, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 53 ARG+ HN 53 ARG+ QD 6.88
&rst
iat= 838, 847, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 53 ARG+ HN 54 THR HN 3.50
&rst
iat= 838, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 ARG+ HA 56 TRP HN 5.00
&rst
iat= 840, 897, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 ARG+ HA 56 TRP HB2 6.00
&rst
iat= 840, 901, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ARG+ HA 56 TRP HB3 6.00
&rst
iat= 840, 902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ARG+ HA 56 TRP QB 5.45
&rst
iat= 840, 900, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 53 ARG+ HA 56 TRP HD1 5.00
&rst
iat= 840, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 ARG+ HB2 54 THR HN 5.00
&rst
iat= 842, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 ARG+ HB3 54 THR HN 5.00
&rst
iat= 843, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 ARG+ QG 54 THR HN 4.38
&rst
iat= 844, 862, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 53 ARG+ HE 130 ASN QD2 4.37
&rst
iat= 851,2158, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 53 ARG+ O 57 LYS+ HN 2.20
&rst
iat= 860, 921, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 54 THR HN 54 THR HB 2.60
&rst
iat= 862, 866, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 54 THR HN 55 TYR HN 3.50
&rst
iat= 862, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 THR HN 57 LYS+ HN 5.00
&rst
iat= 862, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HN 3.50
&rst
iat= 864, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 THR HA 57 LYS+ HB2 5.00
&rst
iat= 864, 925, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HB3 5.00
&rst
iat= 864, 926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HG2 5.00
&rst
iat= 864, 928, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HG3 5.00
&rst
iat= 864, 929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HD2 5.00
&rst
iat= 864, 931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HD3 5.00
&rst
iat= 864, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HE2 5.00
&rst
iat= 864, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HA 57 LYS+ HE3 5.00
&rst
iat= 864, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 THR HB 55 TYR HN 3.50
&rst
iat= 866, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 THR QG2 55 TYR HN 6.00
&rst
iat= 867, 876, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 THR QG2 57 LYS+ HN 7.00
&rst
iat= 867, 921, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 THR QG2 57 LYS+ HE2 6.00
&rst
iat= 867, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 THR QG2 57 LYS+ HE3 6.00
&rst
iat= 867, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 THR QG2 57 LYS+ QE 5.23
&rst
iat= 867, 933, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 54 THR QG2 58 LEU HN 6.00
&rst
iat= 867, 943, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 THR O 58 LEU HN 2.20
&rst
iat= 874, 943, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 55 TYR HN 55 TYR QB 3.75
&rst
iat= 876, 879, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 55 TYR HN 56 TRP HN 3.50
&rst
iat= 876, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 TYR HA 58 LEU HN 3.50
&rst
iat= 878, 943, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 TYR HB2 56 TRP HN 5.00
&rst
iat= 880, 897, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 TYR HB3 56 TRP HN 5.00
&rst
iat= 881, 897, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 TYR CG 56 TRP HN 7.20
&rst
iat= 882, 897, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CG 56 TRP HD1 7.20
&rst
iat= 882, 905, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CG 56 TRP HE1 7.20
&rst
iat= 882, 907, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CG 56 TRP HZ2 7.20
&rst
iat= 882, 910, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CG 57 LYS+ HN 7.20
&rst
iat= 882, 921, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CG 58 LEU QB 8.08
&rst
iat= 882, 946, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 55 TYR CG 58 LEU QQD 9.77
&rst
iat= 882, 949, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, &end
#
# 55 TYR CG 59 GLU- HN 7.20
&rst
iat= 882, 962, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CG 59 GLU- QB 8.08
&rst
iat= 882, 965, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 55 TYR CZ 56 TRP HD1 7.20
&rst
iat= 887, 905, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CZ 56 TRP HZ3 8.20
&rst
iat= 887, 914, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 55 TYR CZ 56 TRP HZ2 7.20
&rst
iat= 887, 910, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CZ 56 TRP HH2 8.20
&rst
iat= 887, 912, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 55 TYR CZ 59 GLU- QB 8.08
&rst
iat= 887, 965, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 55 TYR CZ 59 GLU- QG 8.08
&rst
iat= 887, 968, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 55 TYR CZ 95 ARG+ HB2 7.20
&rst
iat= 887,1551, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CZ 95 ARG+ HB3 7.20
&rst
iat= 887,1552, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 55 TYR CZ 95 ARG+ QG 8.08
&rst
iat= 887,1553, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 55 TYR CZ 95 ARG+ QH1 5.70
&rst
iat= 887,1561, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 55 TYR O 59 GLU- HN 2.20
&rst
iat= 895, 962, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 56 TRP HN 56 TRP QB 3.76
&rst
iat= 897, 900, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 56 TRP HN 56 TRP HD1 5.00
&rst
iat= 897, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HN 56 TRP HE3 6.00
&rst
iat= 897, 916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HN 57 LYS+ HN 3.50
&rst
iat= 897, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 TRP HA 56 TRP HE3 3.50
&rst
iat= 899, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 TRP HA 59 GLU- HN 5.00
&rst
iat= 899, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HB2 57 LYS+ HN 5.00
&rst
iat= 901, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HB3 57 LYS+ HN 5.00
&rst
iat= 902, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 59 GLU- HN 6.00
&rst
iat= 916, 962, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HE3 59 GLU- HA 6.00
&rst
iat= 916, 964, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HE3 59 GLU- HB2 5.00
&rst
iat= 916, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 59 GLU- HB3 5.00
&rst
iat= 916, 967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 59 GLU- QB 4.23
&rst
iat= 916, 965, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 56 TRP HE3 59 GLU- HG2 5.00
&rst
iat= 916, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 59 GLU- HG3 5.00
&rst
iat= 916, 970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 60 ASN HN 5.00
&rst
iat= 916, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 60 ASN HD21 5.00
&rst
iat= 916, 986, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 60 ASN HD22 5.00
&rst
iat= 916, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HE3 96 ILE HA 6.00
&rst
iat= 916,1573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HE3 97 PRO HA 6.00
&rst
iat= 916,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HE3 97 PRO QG 5.88
&rst
iat= 916,1593, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 56 TRP HZ3 59 GLU- QB 5.88
&rst
iat= 914, 965, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 56 TRP HZ3 59 GLU- QG 5.88
&rst
iat= 914, 968, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 56 TRP HZ3 60 ASN QD2 6.87
&rst
iat= 914, 985, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, &end
#
# 56 TRP HZ3 95 ARG+ HA 6.00
&rst
iat= 914,1549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HZ3 96 ILE HN 6.00
&rst
iat= 914,1571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HZ3 96 ILE HA 5.00
&rst
iat= 914,1573, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HZ3 96 ILE QG2 7.00
&rst
iat= 914,1576, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 TRP HZ3 96 ILE QD1 7.00
&rst
iat= 914,1583, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 TRP HZ3 97 PRO HA 5.00
&rst
iat= 914,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HZ3 97 PRO QB 6.88
&rst
iat= 914,1596, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 56 TRP HZ3 97 PRO QG 5.88
&rst
iat= 914,1593, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 56 TRP HZ2 95 ARG+ HD2 6.00
&rst
iat= 910,1557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HZ2 95 ARG+ HD3 6.00
&rst
iat= 910,1558, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HZ2 95 ARG+ HE 5.00
&rst
iat= 910,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HZ2 95 ARG+ QH1 5.00
&rst
iat= 910,1561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HZ2 97 PRO HA 5.00
&rst
iat= 910,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HH2 95 ARG+ HA 6.00
&rst
iat= 912,1549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HH2 95 ARG+ HB2 7.00
&rst
iat= 912,1551, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 TRP HH2 95 ARG+ HB3 7.00
&rst
iat= 912,1552, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 TRP HH2 95 ARG+ QG 6.88
&rst
iat= 912,1553, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 56 TRP HH2 95 ARG+ HD2 5.00
&rst
iat= 912,1557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HH2 95 ARG+ HD3 5.00
&rst
iat= 912,1558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 TRP HH2 95 ARG+ HE 3.50
&rst
iat= 912,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 TRP HH2 96 ILE HN 6.00
&rst
iat= 912,1571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HH2 96 ILE HA 6.00
&rst
iat= 912,1573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TRP HH2 97 PRO HA 3.50
&rst
iat= 912,1600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 TRP HH2 97 PRO QB 6.88
&rst
iat= 912,1596, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 56 TRP HH2 97 PRO QG 6.88
&rst
iat= 912,1593, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 57 LYS+ HN 57 LYS+ QB 3.77
&rst
iat= 921, 924, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 LYS+ HN 57 LYS+ QE 5.88
&rst
iat= 921, 933, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 57 LYS+ HN 58 LEU HN 3.50
&rst
iat= 921, 943, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 LYS+ HN 130 ASN HB2 5.00
&rst
iat= 921,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ HN 130 ASN HB3 5.00
&rst
iat= 921,2155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ HA 60 ASN HN 5.00
&rst
iat= 923, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ HA 60 ASN HB2 5.00
&rst
iat= 923, 981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ HA 60 ASN HB3 5.00
&rst
iat= 923, 982, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ HA 60 ASN HD21 5.00
&rst
iat= 923, 986, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ HA 60 ASN HD22 5.00
&rst
iat= 923, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ QB 58 LEU HN 4.38
&rst
iat= 924, 943, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 57 LYS+ HE2 131 GLN HA 5.00
&rst
iat= 934,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS+ HE3 131 GLN HA 5.00
&rst
iat= 935,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 LEU HN 58 LEU QB 3.76
&rst
iat= 943, 946, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 58 LEU HN 58 LEU HG 3.50
&rst
iat= 943, 950, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 LEU HN 58 LEU QQD 7.57
&rst
iat= 943, 949, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 58 LEU HN 59 GLU- HN 3.50
&rst
iat= 943, 962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 LEU HA 58 LEU QD1 4.50
&rst
iat= 945, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LEU HA 58 LEU QD2 4.50
&rst
iat= 945, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LEU HA 58 LEU QQD 3.76
&rst
iat= 945, 949, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 58 LEU HA 61 GLN HB2 3.50
&rst
iat= 945, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 LEU HA 61 GLN HB3 3.50
&rst
iat= 945, 996, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 LEU HA 61 GLN HG2 5.00
&rst
iat= 945, 998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 LEU HA 61 GLN HG3 5.00
&rst
iat= 945, 999, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 LEU QB 59 GLU- HN 5.88
&rst
iat= 946, 962, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 58 LEU QD1 61 GLN HE21 6.23
&rst
iat= 951,1003, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 58 LEU QD1 61 GLN HE22 6.23
&rst
iat= 951,1004, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 58 LEU QD2 61 GLN HE21 6.23
&rst
iat= 955,1003, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 58 LEU QD2 61 GLN HE22 6.23
&rst
iat= 955,1004, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 58 LEU QQD 61 GLN QG 8.45
&rst
iat= 949, 997, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 58 LEU QQD 61 GLN QE2 4.66
&rst
iat= 949,1002, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 59 GLU- HN 59 GLU- QB 3.77
&rst
iat= 962, 965, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 59 GLU- HN 60 ASN HN 3.50
&rst
iat= 962, 977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 GLU- HA 62 LYS+ HN 5.00
&rst
iat= 964,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 GLU- HA 62 LYS+ QG 5.88
&rst
iat= 964,1014, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 59 GLU- HA 62 LYS+ QD 4.38
&rst
iat= 964,1017, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 59 GLU- HG2 95 ARG+ HN 6.00
&rst
iat= 969,1547, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 GLU- HG3 95 ARG+ HN 6.00
&rst
iat= 970,1547, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ASN HN 60 ASN QB 3.77
&rst
iat= 977, 980, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 60 ASN HN 61 GLN HN 2.60
&rst
iat= 977, 991, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 60 ASN HN 62 LYS+ HN 6.00
&rst
iat= 977,1008, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ASN HA 62 LYS+ HN 5.00
&rst
iat= 979,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ASN HB2 127 LYS+ HN 5.00
&rst
iat= 981,2094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ASN HB3 127 LYS+ HN 5.00
&rst
iat= 982,2094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ASN HD21 97 PRO HG2 5.23
&rst
iat= 986,1594, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 60 ASN HD21 97 PRO HG3 5.23
&rst
iat= 986,1595, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 60 ASN HD22 97 PRO HG2 5.23
&rst
iat= 987,1594, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 60 ASN HD22 97 PRO HG3 5.23
&rst
iat= 987,1595, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 60 ASN QD2 97 PRO QG 4.21
&rst
iat= 985,1593, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 60 ASN QD2 123 ARG+ HE 4.37
&rst
iat= 985,2024, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 61 GLN HN 61 GLN HB2 3.50
&rst
iat= 991, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLN HN 61 GLN HB3 3.50
&rst
iat= 991, 996, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLN HN 61 GLN QB 2.96
&rst
iat= 991, 994, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 61 GLN HN 61 GLN HG2 5.00
&rst
iat= 991, 998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 GLN HN 61 GLN HG3 5.00
&rst
iat= 991, 999, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 GLN HN 62 LYS+ HN 2.60
&rst
iat= 991,1008, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 61 GLN HA 127 LYS+ HE2 5.00
&rst
iat= 993,2107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 GLN HA 127 LYS+ HE3 5.00
&rst
iat= 993,2108, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 GLN HB2 62 LYS+ HN 5.00
&rst
iat= 995,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 GLN HB3 62 LYS+ HN 5.00
&rst
iat= 996,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS+ HN 62 LYS+ HB2 3.50
&rst
iat=1008,1012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LYS+ HN 62 LYS+ HB3 3.50
&rst
iat=1008,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LYS+ HN 62 LYS+ QB 2.96
&rst
iat=1008,1011, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 62 LYS+ HN 62 LYS+ HG2 5.00
&rst
iat=1008,1015, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS+ HN 62 LYS+ HG3 5.00
&rst
iat=1008,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS+ HN 63 LYS+ HN 5.00
&rst
iat=1008,1030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS+ HN 94 ILE HA 6.00
&rst
iat=1008,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 LYS+ HN 94 ILE QG2 7.00
&rst
iat=1008,1533, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 LYS+ HN 94 ILE QD1 6.00
&rst
iat=1008,1540, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 LYS+ HA 63 LYS+ HN 2.60
&rst
iat=1010,1030, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 62 LYS+ HB2 94 ILE HA 5.00
&rst
iat=1012,1530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS+ HB3 94 ILE HA 5.00
&rst
iat=1013,1530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 LYS+ HN 63 LYS+ QB 3.77
&rst
iat=1030,1033, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 63 LYS+ HN 63 LYS+ HG2 5.00
&rst
iat=1030,1037, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 LYS+ HN 63 LYS+ HG3 5.00
&rst
iat=1030,1038, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 LYS+ HA 64 LEU HN 2.60
&rst
iat=1032,1052, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 63 LYS+ QB 65 TYR CG 8.08
&rst
iat=1033,1077, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 63 LYS+ QB 65 TYR CZ 8.08
&rst
iat=1033,1082, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 63 LYS+ QG 64 LEU HN 5.88
&rst
iat=1036,1052, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 63 LYS+ HD2 65 TYR CG 7.20
&rst
iat=1040,1077, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 63 LYS+ HD2 65 TYR CZ 7.20
&rst
iat=1040,1082, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 63 LYS+ HD3 65 TYR CG 7.20
&rst
iat=1041,1077, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 63 LYS+ HD3 65 TYR CZ 7.20
&rst
iat=1041,1082, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 64 LEU HN 64 LEU QB 3.76
&rst
iat=1052,1055, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 64 LEU HN 64 LEU HG 5.00
&rst
iat=1052,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HN 64 LEU QQD 7.57
&rst
iat=1052,1058, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 64 LEU HA 64 LEU QD1 6.00
&rst
iat=1054,1060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU HA 64 LEU QD2 6.00
&rst
iat=1054,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU HA 65 TYR HN 2.60
&rst
iat=1054,1071, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 64 LEU HB2 65 TYR HN 5.00
&rst
iat=1056,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HB3 65 TYR HN 5.00
&rst
iat=1057,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HG 65 TYR HN 5.00
&rst
iat=1059,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HG 66 ARG+ HN 5.00
&rst
iat=1059,1092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HG 89 TYR CG 7.20
&rst
iat=1059,1456, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 64 LEU HG 89 TYR CZ 7.20
&rst
iat=1059,1461, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 64 LEU QD1 65 TYR HN 6.00
&rst
iat=1060,1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 66 ARG+ HN 6.00
&rst
iat=1060,1092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 66 ARG+ HD2 7.75
&rst
iat=1060,1102, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD1 66 ARG+ HD3 7.75
&rst
iat=1060,1103, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD1 66 ARG+ HE 6.00
&rst
iat=1060,1105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 85 VAL QG1 10.12
&rst
iat=1060,1389, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 64 LEU QD1 85 VAL QG2 10.12
&rst
iat=1060,1393, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 64 LEU QD1 88 LEU HN 6.00
&rst
iat=1060,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 88 LEU HB2 6.00
&rst
iat=1060,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 88 LEU HB3 6.00
&rst
iat=1060,1436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 88 LEU HG 6.00
&rst
iat=1060,1438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 88 LEU QD1 8.64
&rst
iat=1060,1439, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 64 LEU QD1 88 LEU QD2 8.64
&rst
iat=1060,1443, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 64 LEU QD1 89 TYR HN 6.00
&rst
iat=1060,1450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 89 TYR HA 4.50
&rst
iat=1060,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 LEU QD1 89 TYR CG 6.70
&rst
iat=1060,1456, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 64 LEU QD1 89 TYR CZ 6.70
&rst
iat=1060,1461, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 64 LEU QD1 89 TYR HH 6.00
&rst
iat=1060,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD1 92 SER HA 7.00
&rst
iat=1060,1505, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 LEU QD1 92 SER HB2 7.75
&rst
iat=1060,1507, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD1 92 SER HB3 7.75
&rst
iat=1060,1508, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD1 94 ILE QD1 7.00
&rst
iat=1060,1540, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 LEU QD2 65 TYR HN 6.00
&rst
iat=1064,1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 66 ARG+ HN 6.00
&rst
iat=1064,1092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 66 ARG+ HD2 7.75
&rst
iat=1064,1102, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD2 66 ARG+ HD3 7.75
&rst
iat=1064,1103, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD2 66 ARG+ HE 6.00
&rst
iat=1064,1105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 85 VAL QG1 10.12
&rst
iat=1064,1389, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 64 LEU QD2 85 VAL QG2 10.12
&rst
iat=1064,1393, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 64 LEU QD2 88 LEU HN 6.00
&rst
iat=1064,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 88 LEU HB2 6.00
&rst
iat=1064,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 88 LEU HB3 6.00
&rst
iat=1064,1436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 88 LEU HG 6.00
&rst
iat=1064,1438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 88 LEU QD1 8.64
&rst
iat=1064,1439, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 64 LEU QD2 88 LEU QD2 8.64
&rst
iat=1064,1443, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 64 LEU QD2 89 TYR HN 6.00
&rst
iat=1064,1450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 89 TYR HA 4.50
&rst
iat=1064,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 LEU QD2 89 TYR CG 6.70
&rst
iat=1064,1456, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 64 LEU QD2 89 TYR CZ 6.70
&rst
iat=1064,1461, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 64 LEU QD2 89 TYR HH 6.00
&rst
iat=1064,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 LEU QD2 92 SER HA 7.00
&rst
iat=1064,1505, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 LEU QD2 92 SER HB2 7.75
&rst
iat=1064,1507, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD2 92 SER HB3 7.75
&rst
iat=1064,1508, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 64 LEU QD2 94 ILE QD1 7.00
&rst
iat=1064,1540, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 LEU QQD 65 TYR HN 5.07
&rst
iat=1058,1071, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 64 LEU QQD 66 ARG+ QD 6.69
&rst
iat=1058,1101, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 64 LEU QQD 67 GLY HN 8.57
&rst
iat=1058,1116, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 64 LEU QQD 67 GLY QA 9.45
&rst
iat=1058,1117, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 64 LEU QQD 85 VAL QQG 8.42
&rst
iat=1058,1387, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, &end
#
# 64 LEU QQD 88 LEU QB 5.37
&rst
iat=1058,1434, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 64 LEU QQD 88 LEU QQD 6.89
&rst
iat=1058,1437, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 64 LEU QQD 89 TYR HA 3.71
&rst
iat=1058,1452, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 64 LEU QQD 89 TYR QB 9.45
&rst
iat=1058,1453, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 64 LEU QQD 89 TYR HH 5.07
&rst
iat=1058,1463, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 64 LEU QQD 90 GLU- HN 8.57
&rst
iat=1058,1471, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 64 LEU QQD 92 SER HN 8.57
&rst
iat=1058,1503, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 64 LEU QQD 92 SER QB 5.97
&rst
iat=1058,1506, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 64 LEU QQD 119 ILE QG2 9.57
&rst
iat=1058,1951, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07, &end
#
# 64 LEU QQD 120 GLU- QB 9.45
&rst
iat=1058,1968, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 64 LEU QQD 120 GLU- QG 9.45
&rst
iat=1058,1971, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 65 TYR HN 65 TYR QB 3.75
&rst
iat=1071,1074, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 TYR HN 92 SER HB2 5.00
&rst
iat=1071,1507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 TYR HN 92 SER HB3 5.00
&rst
iat=1071,1508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 TYR HN 92 SER QB 4.23
&rst
iat=1071,1506, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 65 TYR HA 66 ARG+ HN 3.50
&rst
iat=1073,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 TYR HA 67 GLY HN 6.00
&rst
iat=1073,1116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 TYR CG 67 GLY HN 8.20
&rst
iat=1077,1116, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 65 TYR CG 67 GLY QA 8.08
&rst
iat=1077,1117, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 65 TYR CZ 67 GLY HN 8.20
&rst
iat=1082,1116, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 65 TYR CZ 67 GLY QA 8.08
&rst
iat=1082,1117, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 65 TYR CZ 68 SER HN 8.20
&rst
iat=1082,1123, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 65 TYR CZ 88 LEU QD1 8.20
&rst
iat=1082,1439, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 65 TYR CZ 88 LEU QD2 8.20
&rst
iat=1082,1443, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 65 TYR CZ 88 LEU QQD 7.32
&rst
iat=1082,1437, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, &end
#
# 66 ARG+ HN 66 ARG+ QB 3.77
&rst
iat=1092,1095, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 66 ARG+ HN 66 ARG+ HG2 5.00
&rst
iat=1092,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ARG+ HN 66 ARG+ HG3 5.00
&rst
iat=1092,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ARG+ HA 88 LEU QQD 7.57
&rst
iat=1094,1437, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 66 ARG+ HB2 67 GLY HN 5.00
&rst
iat=1096,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ARG+ HB3 67 GLY HN 5.00
&rst
iat=1097,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ARG+ QB 67 GLY HN 4.23
&rst
iat=1095,1116, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 66 ARG+ HG2 67 GLY HN 5.00
&rst
iat=1099,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ARG+ HG3 67 GLY HN 5.00
&rst
iat=1100,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ARG+ QD 67 GLY HN 5.88
&rst
iat=1101,1116, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 66 ARG+ QD 116 LEU QQD 8.45
&rst
iat=1101,1898, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 66 ARG+ HE 116 LEU QD1 6.00
&rst
iat=1105,1900, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ARG+ HE 116 LEU QD2 6.00
&rst
iat=1105,1904, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 GLY HA1 88 LEU QD1 7.75
&rst
iat=1118,1439, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 67 GLY HA1 88 LEU QD2 7.75
&rst
iat=1118,1443, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 67 GLY HA2 88 LEU QD1 7.75
&rst
iat=1118,1439, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 67 GLY HA2 88 LEU QD2 7.75
&rst
iat=1118,1443, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 67 GLY QA 88 LEU QQD 6.69
&rst
iat=1117,1437, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 68 SER HA 69 LEU HN 3.50
&rst
iat=1125,1134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 LEU HN 69 LEU QD1 6.00
&rst
iat=1134,1142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 LEU HN 69 LEU QD2 6.00
&rst
iat=1134,1146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 LEU HA 69 LEU QD1 6.00
&rst
iat=1136,1142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 LEU HA 69 LEU QD2 6.00
&rst
iat=1136,1146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 LEU HA 70 LYS+ HN 2.60
&rst
iat=1136,1153, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 69 LEU QB 113 GLN QE2 7.74
&rst
iat=1137,1855, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, &end
#
# 70 LYS+ HN 70 LYS+ QB 3.77
&rst
iat=1153,1156, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 70 LYS+ HN 70 LYS+ QG 5.88
&rst
iat=1153,1159, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 70 LYS+ HN 113 GLN HE21 5.00
&rst
iat=1153,1856, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 LYS+ HN 113 GLN HE22 5.00
&rst
iat=1153,1857, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 LYS+ HN 113 GLN QE2 4.23
&rst
iat=1153,1855, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 70 LYS+ HB2 113 GLN HE21 6.75
&rst
iat=1157,1856, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 70 LYS+ HB2 113 GLN HE22 6.75
&rst
iat=1157,1857, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 70 LYS+ HB3 113 GLN HE21 6.75
&rst
iat=1158,1856, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 70 LYS+ HB3 113 GLN HE22 6.75
&rst
iat=1158,1857, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 70 LYS+ QB 113 GLN QE2 5.81
&rst
iat=1156,1855, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 72 MET HN 72 MET HB2 3.50
&rst
iat=1193,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 MET HN 72 MET HB3 3.50
&rst
iat=1193,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 MET HN 72 MET QB 2.96
&rst
iat=1193,1196, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 72 MET HN 72 MET HG2 5.00
&rst
iat=1193,1200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 MET HN 72 MET HG3 5.00
&rst
iat=1193,1201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 MET HA 72 MET HG2 3.50
&rst
iat=1195,1200, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 MET HA 72 MET HG3 3.50
&rst
iat=1195,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 MET HA 73 ASP- HN 2.60
&rst
iat=1195,1212, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 72 MET QB 73 ASP- HN 4.38
&rst
iat=1196,1212, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 72 MET QG 73 ASP- HN 5.88
&rst
iat=1199,1212, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 73 ASP- HN 73 ASP- HB2 3.50
&rst
iat=1212,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ASP- HN 73 ASP- HB3 3.50
&rst
iat=1212,1217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ASP- HN 74 LYS+ HN 5.00
&rst
iat=1212,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ASP- HA 74 LYS+ HN 2.60
&rst
iat=1214,1224, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 73 ASP- HB2 74 LYS+ HN 5.00
&rst
iat=1216,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ASP- HB3 74 LYS+ HN 5.00
&rst
iat=1217,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ASP- QB 74 LYS+ HN 4.23
&rst
iat=1215,1224, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 74 LYS+ HN 74 LYS+ HB2 3.50
&rst
iat=1224,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 LYS+ HN 74 LYS+ HB3 3.50
&rst
iat=1224,1229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 LYS+ HN 74 LYS+ QB 2.96
&rst
iat=1224,1227, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 74 LYS+ HN 74 LYS+ QG 5.88
&rst
iat=1224,1230, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 74 LYS+ HA 75 THR HN 2.60
&rst
iat=1226,1246, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 74 LYS+ HB2 75 THR HN 5.00
&rst
iat=1228,1246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 LYS+ HB3 75 THR HN 5.00
&rst
iat=1229,1246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 LYS+ QB 75 THR HN 4.23
&rst
iat=1227,1246, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 75 THR HN 75 THR HB 3.50
&rst
iat=1246,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 THR HN 75 THR QG2 4.50
&rst
iat=1246,1251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 THR HN 76 VAL HN 5.00
&rst
iat=1246,1260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 THR HA 75 THR QG2 3.60
&rst
iat=1248,1251, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 75 THR HA 76 VAL HN 3.50
&rst
iat=1248,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 THR HB 76 VAL HN 5.00
&rst
iat=1250,1260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 THR QG2 76 VAL HN 6.00
&rst
iat=1251,1260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 VAL HN 76 VAL HB 2.60
&rst
iat=1260,1264, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 76 VAL HN 77 ASN HN 5.00
&rst
iat=1260,1276, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 VAL HA 77 ASN HN 3.50
&rst
iat=1262,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 VAL HB 77 ASN HN 5.00
&rst
iat=1264,1276, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 VAL QQG 77 ASN HN 6.06
&rst
iat=1263,1276, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 77 ASN HN 77 ASN HB2 3.50
&rst
iat=1276,1280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ASN HN 77 ASN HB3 3.50
&rst
iat=1276,1281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ASN HN 77 ASN QB 2.96
&rst
iat=1276,1279, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 77 ASN HN 78 LEU HN 5.00
&rst
iat=1276,1290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASN HN 105 VAL QG1 7.00
&rst
iat=1276,1716, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 77 ASN HN 105 VAL QG2 7.00
&rst
iat=1276,1720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 77 ASN HA 77 ASN HD21 5.00
&rst
iat=1278,1285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASN HA 77 ASN HD22 5.00
&rst
iat=1278,1286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASN HA 78 LEU HN 2.60
&rst
iat=1278,1290, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 77 ASN HB2 78 LEU HN 5.00
&rst
iat=1280,1290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASN HB2 105 VAL QG1 6.00
&rst
iat=1280,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 ASN HB2 105 VAL QG2 6.00
&rst
iat=1280,1720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 ASN HB3 78 LEU HN 5.00
&rst
iat=1281,1290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASN HB3 105 VAL QG1 6.00
&rst
iat=1281,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 ASN HB3 105 VAL QG2 6.00
&rst
iat=1281,1720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HN 78 LEU QB 3.37
&rst
iat=1290,1293, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 78 LEU HN 78 LEU QD1 6.00
&rst
iat=1290,1298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HN 78 LEU QD2 6.00
&rst
iat=1290,1302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HN 83 VAL QQG 7.56
&rst
iat=1290,1361, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 78 LEU HA 78 LEU QD1 6.00
&rst
iat=1292,1298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HA 78 LEU QD2 6.00
&rst
iat=1292,1302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HA 79 SER HN 2.60
&rst
iat=1292,1309, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 78 LEU HA 83 VAL QG1 6.00
&rst
iat=1292,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HA 83 VAL QG2 6.00
&rst
iat=1292,1367, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HA 105 VAL QG1 6.00
&rst
iat=1292,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU HA 105 VAL QG2 6.00
&rst
iat=1292,1720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU QB 79 SER HN 4.38
&rst
iat=1293,1309, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 78 LEU QB 82 GLU- HN 6.88
&rst
iat=1293,1343, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 78 LEU QD1 105 VAL QG1 8.64
&rst
iat=1298,1716, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 78 LEU QD1 105 VAL QG2 8.64
&rst
iat=1298,1720, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 78 LEU QD2 105 VAL QG1 8.64
&rst
iat=1302,1716, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 78 LEU QD2 105 VAL QG2 8.64
&rst
iat=1302,1720, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 78 LEU QQD 79 SER HN 7.57
&rst
iat=1296,1309, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 78 LEU QQD 82 GLU- HN 7.57
&rst
iat=1296,1343, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 78 LEU QQD 82 GLU- HA 7.57
&rst
iat=1296,1345, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 78 LEU QQD 82 GLU- QG 6.95
&rst
iat=1296,1349, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 78 LEU QQD 83 VAL HA 8.57
&rst
iat=1296,1360, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 78 LEU QQD 86 LEU HA 7.57
&rst
iat=1296,1402, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 78 LEU QQD 101 ILE HA 8.57
&rst
iat=1296,1648, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 78 LEU QQD 101 ILE HB 8.57
&rst
iat=1296,1650, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 78 LEU QQD 105 VAL HN 7.57
&rst
iat=1296,1711, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 78 LEU QQD 105 VAL HA 7.57
&rst
iat=1296,1713, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 78 LEU QQD 105 VAL QQG 6.90
&rst
iat=1296,1714, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 79 SER HN 79 SER QB 3.38
&rst
iat=1309,1312, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 79 SER HN 80 ALA HN 5.00
&rst
iat=1309,1320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 SER HA 80 ALA HN 3.50
&rst
iat=1311,1320, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 SER HA 83 VAL QQG 7.56
&rst
iat=1311,1361, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 79 SER HB2 80 ALA HN 5.00
&rst
iat=1313,1320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 SER HB3 80 ALA HN 5.00
&rst
iat=1314,1320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 SER QB 80 ALA HN 4.23
&rst
iat=1312,1320, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 79 SER O 83 VAL HN 2.20
&rst
iat=1318,1358, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 80 ALA HN 80 ALA QB 3.60
&rst
iat=1320,1323, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 80 ALA HN 81 CYS HN 3.50
&rst
iat=1320,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ALA HN 83 VAL QQG 8.56
&rst
iat=1320,1361, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 80 ALA HA 83 VAL HN 5.00
&rst
iat=1322,1358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ALA HA 83 VAL HB 3.50
&rst
iat=1322,1362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ALA HA 83 VAL QG1 6.00
&rst
iat=1322,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 ALA HA 83 VAL QG2 6.00
&rst
iat=1322,1367, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 ALA HA 83 VAL QQG 5.07
&rst
iat=1322,1361, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 80 ALA QB 81 CYS HN 3.60
&rst
iat=1323,1330, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 80 ALA QB 82 GLU- HN 6.00
&rst
iat=1323,1343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 ALA O 84 ALA HN 2.20
&rst
iat=1328,1374, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 81 CYS HN 81 CYS HB2 3.50
&rst
iat=1330,1334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 CYS HN 81 CYS HB3 3.50
&rst
iat=1330,1335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 CYS HN 82 GLU- HN 3.50
&rst
iat=1330,1343, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 CYS HA 84 ALA HN 3.50
&rst
iat=1332,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 CYS HA 84 ALA QB 3.60
&rst
iat=1332,1377, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 81 CYS HA 112 GLU- HN 6.00
&rst
iat=1332,1829, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 CYS HA 112 GLU- HG2 3.50
&rst
iat=1332,1836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 CYS HA 112 GLU- HG3 3.50
&rst
iat=1332,1837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 CYS HB2 84 ALA QB 6.00
&rst
iat=1334,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 CYS HB2 112 GLU- HN 5.00
&rst
iat=1334,1829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 CYS HB2 112 GLU- HA 5.00
&rst
iat=1334,1831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 CYS HB2 112 GLU- HG2 6.75
&rst
iat=1334,1836, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 81 CYS HB2 112 GLU- HG3 6.75
&rst
iat=1334,1837, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 81 CYS HB2 115 VAL QG1 10.12
&rst
iat=1334,1881, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 81 CYS HB2 115 VAL QG2 10.12
&rst
iat=1334,1885, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 81 CYS HB3 84 ALA QB 6.00
&rst
iat=1335,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 CYS HB3 112 GLU- HN 5.00
&rst
iat=1335,1829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 CYS HB3 112 GLU- HA 5.00
&rst
iat=1335,1831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 CYS HB3 112 GLU- HG2 6.75
&rst
iat=1335,1836, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 81 CYS HB3 112 GLU- HG3 6.75
&rst
iat=1335,1837, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 81 CYS HB3 115 VAL QG1 10.12
&rst
iat=1335,1881, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 81 CYS HB3 115 VAL QG2 10.12
&rst
iat=1335,1885, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 81 CYS QB 82 GLU- HN 5.88
&rst
iat=1333,1343, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 81 CYS QB 111 SER HA 6.88
&rst
iat=1333,1820, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 81 CYS QB 112 GLU- QG 5.81
&rst
iat=1333,1835, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 81 CYS QB 115 VAL QQG 8.52
&rst
iat=1333,1879, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, &end
#
# 81 CYS O 85 VAL HN 2.20
&rst
iat=1341,1384, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 82 GLU- HN 82 GLU- QB 3.77
&rst
iat=1343,1346, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 82 GLU- HN 82 GLU- QG 4.38
&rst
iat=1343,1349, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 82 GLU- HN 83 VAL HN 3.50
&rst
iat=1343,1358, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 GLU- HN 115 VAL QQG 8.56
&rst
iat=1343,1879, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 82 GLU- HA 85 VAL HN 5.00
&rst
iat=1345,1384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 GLU- HA 85 VAL QG1 6.00
&rst
iat=1345,1389, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HA 85 VAL QG2 6.00
&rst
iat=1345,1393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HA 85 VAL QQG 4.70
&rst
iat=1345,1387, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 82 GLU- HA 115 VAL QG1 6.00
&rst
iat=1345,1881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HA 115 VAL QG2 6.00
&rst
iat=1345,1885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HA 115 VAL QQG 5.07
&rst
iat=1345,1879, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 82 GLU- HB2 85 VAL HN 6.00
&rst
iat=1347,1384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HB2 104 LEU QD1 6.00
&rst
iat=1347,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HB2 104 LEU QD2 6.00
&rst
iat=1347,1704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HB2 115 VAL QG1 7.75
&rst
iat=1347,1881, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- HB2 115 VAL QG2 7.75
&rst
iat=1347,1885, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- HB3 85 VAL HN 6.00
&rst
iat=1348,1384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HB3 104 LEU QD1 6.00
&rst
iat=1348,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HB3 104 LEU QD2 6.00
&rst
iat=1348,1704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLU- HB3 115 VAL QG1 7.75
&rst
iat=1348,1881, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- HB3 115 VAL QG2 7.75
&rst
iat=1348,1885, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- QB 83 VAL HN 4.38
&rst
iat=1346,1358, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 82 GLU- QB 85 VAL HN 5.45
&rst
iat=1346,1384, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 82 GLU- QB 86 LEU QQD 8.45
&rst
iat=1346,1406, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 82 GLU- QB 109 LEU QQD 9.45
&rst
iat=1346,1788, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 82 GLU- QB 115 VAL QQG 6.70
&rst
iat=1346,1879, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 82 GLU- HG2 83 VAL HN 5.00
&rst
iat=1350,1358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 GLU- HG2 105 VAL QG1 7.75
&rst
iat=1350,1716, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- HG2 105 VAL QG2 7.75
&rst
iat=1350,1720, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- HG3 83 VAL HN 5.00
&rst
iat=1351,1358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 GLU- HG3 105 VAL QG1 7.75
&rst
iat=1351,1716, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- HG3 105 VAL QG2 7.75
&rst
iat=1351,1720, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 82 GLU- QG 83 VAL HN 4.23
&rst
iat=1349,1358, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 82 GLU- QG 105 VAL QQG 6.70
&rst
iat=1349,1714, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 82 GLU- O 86 LEU HN 2.20
&rst
iat=1356,1400, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 83 VAL HN 83 VAL HB 2.60
&rst
iat=1358,1362, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 83 VAL HN 83 VAL QG1 4.50
&rst
iat=1358,1363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL HN 83 VAL QG2 4.50
&rst
iat=1358,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL HN 83 VAL QQG 3.76
&rst
iat=1358,1361, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 83 VAL HN 84 ALA HN 2.60
&rst
iat=1358,1374, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 83 VAL HN 85 VAL QQG 8.56
&rst
iat=1358,1387, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 83 VAL HA 85 VAL HN 5.00
&rst
iat=1360,1384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 VAL HA 86 LEU HN 5.00
&rst
iat=1360,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 VAL HA 86 LEU QB 3.48
&rst
iat=1360,1403, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 83 VAL HA 86 LEU HG 5.00
&rst
iat=1360,1407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 VAL HA 86 LEU QD1 6.00
&rst
iat=1360,1408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 VAL HA 86 LEU QD2 6.00
&rst
iat=1360,1412, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 VAL HA 86 LEU QQD 5.07
&rst
iat=1360,1406, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 83 VAL HA 87 ASP- HN 5.00
&rst
iat=1360,1419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 VAL HB 84 ALA HN 3.50
&rst
iat=1362,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL QG1 84 ALA HN 6.00
&rst
iat=1363,1374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 VAL QG2 84 ALA HN 6.00
&rst
iat=1367,1374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 VAL QQG 86 LEU HA 7.56
&rst
iat=1361,1402, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 83 VAL QQG 87 ASP- HN 7.56
&rst
iat=1361,1419, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 83 VAL QQG 87 ASP- QB 9.44
&rst
iat=1361,1422, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, &end
#
# 84 ALA HN 84 ALA QB 3.60
&rst
iat=1374,1377, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 84 ALA HN 85 VAL HN 2.60
&rst
iat=1374,1384, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 84 ALA HA 87 ASP- HN 5.00
&rst
iat=1376,1419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 ALA HA 87 ASP- QB 5.88
&rst
iat=1376,1422, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 84 ALA QB 85 VAL HN 3.60
&rst
iat=1377,1384, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 84 ALA QB 87 ASP- HN 6.00
&rst
iat=1377,1419, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ALA QB 87 ASP- HB2 6.00
&rst
iat=1377,1423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ALA QB 87 ASP- HB3 6.00
&rst
iat=1377,1424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ALA O 88 LEU HN 2.20
&rst
iat=1382,1431, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 85 VAL HN 85 VAL HB 2.60
&rst
iat=1384,1388, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 85 VAL HN 85 VAL QG1 4.50
&rst
iat=1384,1389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 VAL HN 85 VAL QG2 4.50
&rst
iat=1384,1393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 VAL HN 85 VAL QQG 3.76
&rst
iat=1384,1387, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 85 VAL HN 86 LEU HN 2.60
&rst
iat=1384,1400, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 85 VAL HA 85 VAL QG1 3.60
&rst
iat=1386,1389, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 85 VAL HA 85 VAL QG2 3.60
&rst
iat=1386,1393, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 85 VAL HA 88 LEU HN 3.50
&rst
iat=1386,1431, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 VAL HA 88 LEU HB2 5.00
&rst
iat=1386,1435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 VAL HA 88 LEU HB3 5.00
&rst
iat=1386,1436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 VAL HA 88 LEU QB 4.23
&rst
iat=1386,1434, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 85 VAL HA 88 LEU HG 5.00
&rst
iat=1386,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 VAL HA 88 LEU QD1 6.00
&rst
iat=1386,1439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 VAL HA 88 LEU QD2 6.00
&rst
iat=1386,1443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 VAL HA 88 LEU QQD 5.07
&rst
iat=1386,1437, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 85 VAL HA 89 TYR CZ 8.20
&rst
iat=1386,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 85 VAL HA 112 GLU- HG2 6.00
&rst
iat=1386,1836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 VAL HA 112 GLU- HG3 6.00
&rst
iat=1386,1837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 VAL HB 86 LEU HN 3.50
&rst
iat=1388,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 VAL QG1 86 LEU HN 6.00
&rst
iat=1389,1400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 VAL QG1 89 TYR CZ 8.20
&rst
iat=1389,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 85 VAL QG1 112 GLU- HB2 9.12
&rst
iat=1389,1833, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QG1 112 GLU- HB3 9.12
&rst
iat=1389,1834, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QG1 112 GLU- HG2 9.12
&rst
iat=1389,1836, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QG1 112 GLU- HG3 9.12
&rst
iat=1389,1837, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QG2 86 LEU HN 6.00
&rst
iat=1393,1400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 VAL QG2 89 TYR CZ 8.20
&rst
iat=1393,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 85 VAL QG2 112 GLU- HB2 9.12
&rst
iat=1393,1833, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QG2 112 GLU- HB3 9.12
&rst
iat=1393,1834, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QG2 112 GLU- HG2 9.12
&rst
iat=1393,1836, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QG2 112 GLU- HG3 9.12
&rst
iat=1393,1837, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, &end
#
# 85 VAL QQG 88 LEU HN 8.56
&rst
iat=1387,1431, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 85 VAL QQG 89 TYR CG 8.26
&rst
iat=1387,1456, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76, &end
#
# 85 VAL QQG 89 TYR CZ 6.93
&rst
iat=1387,1461, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 85 VAL QQG 89 TYR HH 7.56
&rst
iat=1387,1463, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 85 VAL QQG 112 GLU- HN 7.56
&rst
iat=1387,1829, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 85 VAL QQG 112 GLU- QB 6.80
&rst
iat=1387,1832, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 85 VAL QQG 112 GLU- QG 7.02
&rst
iat=1387,1835, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, &end
#
# 85 VAL QQG 114 GLU- HN 8.56
&rst
iat=1387,1861, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 85 VAL QQG 115 VAL HN 6.06
&rst
iat=1387,1876, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 85 VAL QQG 116 LEU HA 6.06
&rst
iat=1387,1894, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 85 VAL O 89 TYR HN 2.20
&rst
iat=1398,1450, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 86 LEU HN 86 LEU HB2 3.50
&rst
iat=1400,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LEU HN 86 LEU HB3 3.50
&rst
iat=1400,1405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LEU HN 86 LEU HG 3.50
&rst
iat=1400,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LEU HN 86 LEU QQD 6.07
&rst
iat=1400,1406, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 86 LEU HN 87 ASP- HN 3.50
&rst
iat=1400,1419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LEU HA 89 TYR HN 3.50
&rst
iat=1402,1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LEU HA 89 TYR CG 4.80
&rst
iat=1402,1456, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 86 LEU HA 89 TYR CZ 5.70
&rst
iat=1402,1461, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 86 LEU HA 96 ILE QD1 6.00
&rst
iat=1402,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LEU HB2 87 ASP- HN 5.00
&rst
iat=1404,1419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 LEU HB3 87 ASP- HN 5.00
&rst
iat=1405,1419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 LEU QB 87 ASP- HN 4.23
&rst
iat=1403,1419, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 86 LEU HG 87 ASP- HN 5.00
&rst
iat=1407,1419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 LEU HG 89 TYR CG 7.20
&rst
iat=1407,1456, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 86 LEU QD1 89 TYR CG 6.70
&rst
iat=1408,1456, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 86 LEU QD1 89 TYR CZ 8.20
&rst
iat=1408,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 86 LEU QD2 89 TYR CG 6.70
&rst
iat=1412,1456, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 86 LEU QD2 89 TYR CZ 8.20
&rst
iat=1412,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 86 LEU QQD 87 ASP- HN 7.57
&rst
iat=1406,1419, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 86 LEU QQD 89 TYR QB 8.45
&rst
iat=1406,1453, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 86 LEU QQD 89 TYR CG 6.07
&rst
iat=1406,1456, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 86 LEU QQD 89 TYR CZ 7.32
&rst
iat=1406,1461, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, &end
#
# 86 LEU QQD 96 ILE QD1 8.57
&rst
iat=1406,1583, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 86 LEU O 90 GLU- HN 2.20
&rst
iat=1417,1471, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 87 ASP- HN 87 ASP- HB2 3.50
&rst
iat=1419,1423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ASP- HN 87 ASP- HB3 3.50
&rst
iat=1419,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ASP- HN 87 ASP- QB 2.96
&rst
iat=1419,1422, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 87 ASP- HN 88 LEU HN 2.60
&rst
iat=1419,1431, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 87 ASP- HN 89 TYR CZ 7.20
&rst
iat=1419,1461, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 87 ASP- HA 90 GLU- HN 3.50
&rst
iat=1421,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ASP- HA 90 GLU- QB 4.38
&rst
iat=1421,1474, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 87 ASP- HA 90 GLU- HG2 5.00
&rst
iat=1421,1478, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 ASP- HA 90 GLU- HG3 5.00
&rst
iat=1421,1479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 ASP- HB2 88 LEU HN 5.00
&rst
iat=1423,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 ASP- HB3 88 LEU HN 5.00
&rst
iat=1424,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 ASP- QB 88 LEU HN 4.23
&rst
iat=1422,1431, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 88 LEU HN 88 LEU HB2 3.50
&rst
iat=1431,1435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LEU HN 88 LEU HB3 3.50
&rst
iat=1431,1436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LEU HN 88 LEU HG 3.50
&rst
iat=1431,1438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LEU HN 88 LEU QD1 6.00
&rst
iat=1431,1439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 LEU HN 88 LEU QD2 6.00
&rst
iat=1431,1443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 LEU HN 90 GLU- HN 5.00
&rst
iat=1431,1471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU HA 88 LEU QD1 4.50
&rst
iat=1433,1439, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LEU HA 88 LEU QD2 4.50
&rst
iat=1433,1443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LEU HA 88 LEU QQD 3.76
&rst
iat=1433,1437, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 88 LEU HA 91 GLN HB2 5.00
&rst
iat=1433,1490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU HA 91 GLN HB3 5.00
&rst
iat=1433,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU HA 91 GLN HG2 6.00
&rst
iat=1433,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 LEU HA 91 GLN HG3 6.00
&rst
iat=1433,1494, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 LEU HB2 89 TYR HN 5.00
&rst
iat=1435,1450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU HB3 89 TYR HN 5.00
&rst
iat=1436,1450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU QB 89 TYR HN 4.23
&rst
iat=1434,1450, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 88 LEU HG 89 TYR HN 5.00
&rst
iat=1438,1450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LEU QD1 89 TYR HN 6.00
&rst
iat=1439,1450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 LEU QD2 89 TYR HN 6.00
&rst
iat=1443,1450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 LEU QQD 89 TYR CG 8.27
&rst
iat=1437,1456, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77, &end
#
# 88 LEU QQD 89 TYR CZ 8.27
&rst
iat=1437,1461, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77, &end
#
# 89 TYR HN 89 TYR HB2 3.50
&rst
iat=1450,1454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 TYR HN 89 TYR HB3 3.50
&rst
iat=1450,1455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 TYR HN 89 TYR QB 2.96
&rst
iat=1450,1453, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 89 TYR HN 90 GLU- HN 3.50
&rst
iat=1450,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 TYR HN 96 ILE QD1 7.00
&rst
iat=1450,1583, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 89 TYR HA 94 ILE HB 3.50
&rst
iat=1452,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 TYR HA 94 ILE QG2 6.00
&rst
iat=1452,1533, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 TYR HA 94 ILE QG1 5.88
&rst
iat=1452,1537, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 89 TYR HA 94 ILE QD1 4.50
&rst
iat=1452,1540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 TYR HB2 90 GLU- HN 5.00
&rst
iat=1454,1471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR HB2 94 ILE HN 6.00
&rst
iat=1454,1528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 TYR HB2 96 ILE HG12 6.75
&rst
iat=1454,1581, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 89 TYR HB2 96 ILE HG13 6.75
&rst
iat=1454,1582, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 89 TYR HB2 96 ILE QD1 6.00
&rst
iat=1454,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 TYR HB3 90 GLU- HN 5.00
&rst
iat=1455,1471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR HB3 94 ILE HN 6.00
&rst
iat=1455,1528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 TYR HB3 96 ILE HG12 6.75
&rst
iat=1455,1581, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 89 TYR HB3 96 ILE HG13 6.75
&rst
iat=1455,1582, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 89 TYR HB3 96 ILE QD1 6.00
&rst
iat=1455,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 TYR QB 94 ILE HN 5.45
&rst
iat=1453,1528, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 89 TYR QB 94 ILE HB 5.88
&rst
iat=1453,1532, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 89 TYR QB 96 ILE QG1 5.60
&rst
iat=1453,1580, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 89 TYR CG 90 GLU- HN 7.20
&rst
iat=1456,1471, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 89 TYR CG 94 ILE QG2 6.70
&rst
iat=1456,1533, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 89 TYR CG 96 ILE HG12 7.20
&rst
iat=1456,1581, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 89 TYR CG 96 ILE HG13 7.20
&rst
iat=1456,1582, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 89 TYR CG 116 LEU QQD 9.77
&rst
iat=1456,1898, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, &end
#
# 89 TYR CG 119 ILE QG2 8.20
&rst
iat=1456,1951, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 89 TYR HD1 94 ILE HN 5.00
&rst
iat=1458,1528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR HD1 94 ILE HB 2.60
&rst
iat=1458,1532, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 89 TYR HE1 94 ILE HB 5.00
&rst
iat=1460,1532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR CZ 94 ILE QG2 5.80
&rst
iat=1461,1533, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 89 TYR CZ 115 VAL HB 7.20
&rst
iat=1461,1880, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 89 TYR CZ 116 LEU QQD 9.77
&rst
iat=1461,1898, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, &end
#
# 89 TYR CZ 119 ILE HB 5.70
&rst
iat=1461,1950, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 89 TYR CZ 119 ILE QG2 6.70
&rst
iat=1461,1951, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 89 TYR CZ 119 ILE QG1 8.08
&rst
iat=1461,1955, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 89 TYR CZ 120 GLU- HA 7.20
&rst
iat=1461,1967, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 89 TYR CZ 120 GLU- QB 8.08
&rst
iat=1461,1968, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 89 TYR CZ 123 ARG+ HD2 5.70
&rst
iat=1461,2021, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 89 TYR CZ 123 ARG+ HD3 5.70
&rst
iat=1461,2022, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 89 TYR HH 96 ILE QD1 6.00
&rst
iat=1463,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 TYR HH 119 ILE QG2 6.00
&rst
iat=1463,1951, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 TYR HH 119 ILE QD1 4.50
&rst
iat=1463,1958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 TYR HH 120 GLU- HA 5.00
&rst
iat=1463,1967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR HH 120 GLU- HB2 5.00
&rst
iat=1463,1969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR HH 120 GLU- HB3 5.00
&rst
iat=1463,1970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR HH 120 GLU- HG2 5.00
&rst
iat=1463,1972, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 TYR HH 120 GLU- HG3 5.00
&rst
iat=1463,1973, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 GLU- HN 90 GLU- QB 3.77
&rst
iat=1471,1474, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 90 GLU- HN 90 GLU- HG2 5.00
&rst
iat=1471,1478, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 GLU- HN 90 GLU- HG3 5.00
&rst
iat=1471,1479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 GLU- HN 91 GLN HN 2.60
&rst
iat=1471,1486, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 90 GLU- QB 94 ILE HN 6.88
&rst
iat=1474,1528, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 91 GLN HN 91 GLN QB 3.38
&rst
iat=1486,1489, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 91 GLN HN 91 GLN HG2 5.00
&rst
iat=1486,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 GLN HN 91 GLN HG3 5.00
&rst
iat=1486,1494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 GLN HN 91 GLN QG 4.23
&rst
iat=1486,1492, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 91 GLN HN 92 SER HN 3.50
&rst
iat=1486,1503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 GLN HN 93 ASN HN 5.00
&rst
iat=1486,1514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 GLN HB2 92 SER HN 5.00
&rst
iat=1490,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 GLN HB3 92 SER HN 5.00
&rst
iat=1491,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 SER HN 92 SER QB 3.38
&rst
iat=1503,1506, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 92 SER HN 93 ASN HN 2.60
&rst
iat=1503,1514, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 92 SER HN 93 ASN HA 5.00
&rst
iat=1503,1516, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 SER HN 94 ILE HN 5.00
&rst
iat=1503,1528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 SER HA 94 ILE HN 6.00
&rst
iat=1505,1528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 SER HB2 94 ILE HN 5.00
&rst
iat=1507,1528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 SER HB3 94 ILE HN 5.00
&rst
iat=1508,1528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 ASN HN 93 ASN HA 2.60
&rst
iat=1514,1516, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 93 ASN HN 94 ILE HN 5.00
&rst
iat=1514,1528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 ASN HA 94 ILE HN 3.50
&rst
iat=1516,1528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 ASN HB2 94 ILE HN 5.00
&rst
iat=1518,1528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 ASN HB3 94 ILE HN 5.00
&rst
iat=1519,1528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 ILE HN 94 ILE HB 2.60
&rst
iat=1528,1532, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 94 ILE HN 94 ILE QG1 5.88
&rst
iat=1528,1537, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 94 ILE HN 94 ILE QD1 6.00
&rst
iat=1528,1540, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ILE HA 94 ILE QD1 4.50
&rst
iat=1530,1540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 ILE HA 95 ARG+ HN 2.60
&rst
iat=1530,1547, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 94 ILE QG2 95 ARG+ HN 4.50
&rst
iat=1533,1547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 ILE QG2 96 ILE HA 6.00
&rst
iat=1533,1573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ILE QG2 96 ILE QD1 5.50
&rst
iat=1533,1583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ILE QG2 123 ARG+ HE 4.50
&rst
iat=1533,2024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 ILE QD1 95 ARG+ HN 6.00
&rst
iat=1540,1547, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ILE QD1 123 ARG+ HE 6.00
&rst
iat=1540,2024, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ARG+ HA 95 ARG+ HE 6.00
&rst
iat=1549,1560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ARG+ HA 96 ILE HN 2.60
&rst
iat=1549,1571, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 95 ARG+ HB2 95 ARG+ HE 5.00
&rst
iat=1551,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 ARG+ HB2 96 ILE HN 5.00
&rst
iat=1551,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 ARG+ HB3 95 ARG+ HE 5.00
&rst
iat=1552,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 ARG+ HB3 96 ILE HN 5.00
&rst
iat=1552,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 ARG+ QG 96 ILE HN 5.88
&rst
iat=1553,1571, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 96 ILE HN 96 ILE HB 2.60
&rst
iat=1571,1575, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 96 ILE HN 96 ILE HG12 5.00
&rst
iat=1571,1581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 ILE HN 96 ILE HG13 5.00
&rst
iat=1571,1582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 ILE HN 96 ILE QD1 6.00
&rst
iat=1571,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE HA 97 PRO HD2 2.60
&rst
iat=1573,1591, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 96 ILE HA 97 PRO HD3 2.60
&rst
iat=1573,1592, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 96 ILE HA 100 ILE HG12 5.00
&rst
iat=1573,1637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 ILE HA 100 ILE HG13 5.00
&rst
iat=1573,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 ILE HA 100 ILE QD1 6.00
&rst
iat=1573,1639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE HA 101 ILE QD1 6.00
&rst
iat=1573,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE QG2 97 PRO HD2 6.00
&rst
iat=1576,1591, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE QG2 97 PRO HD3 6.00
&rst
iat=1576,1592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE QG2 126 TRP HD1 7.00
&rst
iat=1576,2078, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 96 ILE QD1 100 ILE HB 6.00
&rst
iat=1583,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE QD1 100 ILE QD1 7.00
&rst
iat=1583,1639, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 96 ILE QD1 101 ILE QG1 6.88
&rst
iat=1583,1655, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 96 ILE QD1 119 ILE HA 7.00
&rst
iat=1583,1948, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 96 ILE QD1 119 ILE QG2 4.60
&rst
iat=1583,1951, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 96 ILE QD1 119 ILE QD1 5.50
&rst
iat=1583,1958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ILE QD1 123 ARG+ HB2 6.00
&rst
iat=1583,2015, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE QD1 123 ARG+ HB3 6.00
&rst
iat=1583,2016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ILE QD1 123 ARG+ QD 4.48
&rst
iat=1583,2020, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 96 ILE QD1 123 ARG+ HE 4.50
&rst
iat=1583,2024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 PRO HA 98 SER HN 2.60
&rst
iat=1600,1604, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 97 PRO QD 100 ILE QD1 6.88
&rst
iat=1590,1639, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 97 PRO QD 126 TRP HD1 5.88
&rst
iat=1590,2078, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 98 SER HN 98 SER QB 3.77
&rst
iat=1604,1607, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 98 SER HN 99 ASP- HN 3.50
&rst
iat=1604,1615, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 SER HN 101 ILE HN 5.00
&rst
iat=1604,1646, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER HN 101 ILE QD1 6.00
&rst
iat=1604,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 SER HA 101 ILE HN 3.50
&rst
iat=1606,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 SER HA 101 ILE QG2 4.50
&rst
iat=1606,1651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 SER HA 101 ILE HG12 5.00
&rst
iat=1606,1656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER HA 101 ILE HG13 5.00
&rst
iat=1606,1657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER HA 101 ILE QG1 4.23
&rst
iat=1606,1655, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 98 SER HA 101 ILE QD1 4.50
&rst
iat=1606,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 SER HB2 99 ASP- HN 5.00
&rst
iat=1608,1615, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER HB3 99 ASP- HN 5.00
&rst
iat=1609,1615, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER O 102 GLU- HN 2.20
&rst
iat=1613,1665, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 99 ASP- HN 99 ASP- QB 3.76
&rst
iat=1615,1618, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 99 ASP- HN 100 ILE HN 3.50
&rst
iat=1615,1627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP- HN 126 TRP HZ2 5.00
&rst
iat=1615,2083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP- HA 102 GLU- HN 3.50
&rst
iat=1617,1665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP- HA 102 GLU- HB2 3.50
&rst
iat=1617,1669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP- HA 102 GLU- HB3 3.50
&rst
iat=1617,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP- HA 102 GLU- HG2 5.00
&rst
iat=1617,1672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP- HA 102 GLU- HG3 5.00
&rst
iat=1617,1673, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP- HA 103 ASP- HN 5.00
&rst
iat=1617,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP- HA 103 ASP- QB 6.88
&rst
iat=1617,1683, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 99 ASP- HA 126 TRP HZ2 5.00
&rst
iat=1617,2083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP- HB2 126 TRP HZ2 3.50
&rst
iat=1619,2083, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP- HB3 126 TRP HZ2 3.50
&rst
iat=1620,2083, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP- QB 126 TRP HD1 6.88
&rst
iat=1618,2078, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 100 ILE HN 100 ILE HG12 5.00
&rst
iat=1627,1637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HN 100 ILE HG13 5.00
&rst
iat=1627,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HN 100 ILE QG1 4.23
&rst
iat=1627,1636, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 100 ILE HN 100 ILE QD1 6.00
&rst
iat=1627,1639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 ILE HN 101 ILE HN 3.50
&rst
iat=1627,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ILE HA 103 ASP- HN 5.00
&rst
iat=1629,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HA 103 ASP- HB2 5.00
&rst
iat=1629,1684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HA 103 ASP- HB3 5.00
&rst
iat=1629,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HA 104 LEU QQD 7.57
&rst
iat=1629,1698, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 100 ILE HA 118 TYR CZ 7.20
&rst
iat=1629,1936, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 100 ILE HB 101 ILE HN 5.00
&rst
iat=1631,1646, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HB 126 TRP HD1 5.00
&rst
iat=1631,2078, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE QG2 123 ARG+ HN 7.00
&rst
iat=1632,2011, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 100 ILE QG2 126 TRP HD1 6.00
&rst
iat=1632,2078, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 ILE HG12 126 TRP HD1 5.00
&rst
iat=1637,2078, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE HG13 126 TRP HD1 5.00
&rst
iat=1638,2078, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ILE QG1 126 TRP HD1 4.23
&rst
iat=1636,2078, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 100 ILE QD1 122 GLN HN 7.00
&rst
iat=1639,1994, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 100 ILE QD1 123 ARG+ HN 6.00
&rst
iat=1639,2011, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 ILE QD1 125 TYR CG 8.20
&rst
iat=1639,2055, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 100 ILE QD1 126 TRP HN 7.00
&rst
iat=1639,2070, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 100 ILE QD1 126 TRP HD1 4.50
&rst
iat=1639,2078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ILE O 104 LEU HN 2.20
&rst
iat=1644,1692, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 101 ILE HN 101 ILE HB 2.60
&rst
iat=1646,1650, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 101 ILE HN 101 ILE HG12 3.50
&rst
iat=1646,1656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ILE HN 101 ILE HG13 3.50
&rst
iat=1646,1657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ILE HN 101 ILE QD1 6.00
&rst
iat=1646,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 ILE HN 102 GLU- HN 2.60
&rst
iat=1646,1665, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 101 ILE HA 101 ILE QG2 3.50
&rst
iat=1648,1651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ILE HA 101 ILE QG1 3.80
&rst
iat=1648,1655, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 ILE HA 101 ILE QD1 4.50
&rst
iat=1648,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ILE HA 104 LEU HN 5.00
&rst
iat=1648,1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ILE HA 104 LEU HB2 3.50
&rst
iat=1648,1696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ILE HA 104 LEU HB3 3.50
&rst
iat=1648,1697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ILE HA 104 LEU HG 5.00
&rst
iat=1648,1699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ILE HA 104 LEU QD1 6.00
&rst
iat=1648,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 ILE HA 104 LEU QD2 6.00
&rst
iat=1648,1704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 ILE HA 104 LEU QQD 5.07
&rst
iat=1648,1698, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 101 ILE HA 105 VAL HN 5.00
&rst
iat=1648,1711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ILE QG1 102 GLU- HN 5.88
&rst
iat=1655,1665, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 102 GLU- HN 102 GLU- HG2 5.00
&rst
iat=1665,1672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 GLU- HN 102 GLU- HG3 5.00
&rst
iat=1665,1673, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 GLU- HN 103 ASP- HN 3.50
&rst
iat=1665,1680, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 GLU- HA 105 VAL QQG 6.06
&rst
iat=1667,1714, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 102 GLU- QB 103 ASP- HN 4.38
&rst
iat=1668,1680, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 102 GLU- HG2 103 ASP- HN 5.00
&rst
iat=1672,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 GLU- HG3 103 ASP- HN 5.00
&rst
iat=1673,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ASP- HN 103 ASP- QB 3.76
&rst
iat=1680,1683, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 103 ASP- HN 104 LEU HN 2.60
&rst
iat=1680,1692, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 103 ASP- HN 118 TYR CZ 8.20
&rst
iat=1680,1936, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 103 ASP- HA 106 ASN HN 5.00
&rst
iat=1682,1727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ASP- HA 106 ASN HD21 3.50
&rst
iat=1682,1736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 ASP- HA 106 ASN HD22 3.50
&rst
iat=1682,1737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 ASP- HA 107 GLN HN 5.00
&rst
iat=1682,1741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ASP- HA 118 TYR CZ 7.20
&rst
iat=1682,1936, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 103 ASP- HB2 104 LEU HN 5.00
&rst
iat=1684,1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ASP- HB3 104 LEU HN 5.00
&rst
iat=1685,1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LEU HN 104 LEU QB 3.76
&rst
iat=1692,1695, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 104 LEU HN 104 LEU QD1 6.00
&rst
iat=1692,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU HN 104 LEU QD2 6.00
&rst
iat=1692,1704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU HN 105 VAL HN 3.50
&rst
iat=1692,1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU HN 118 TYR CZ 7.20
&rst
iat=1692,1936, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 104 LEU HA 104 LEU QD1 6.00
&rst
iat=1694,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU HA 104 LEU QD2 6.00
&rst
iat=1694,1704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU HA 107 GLN HN 5.00
&rst
iat=1694,1741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LEU HA 107 GLN HG2 5.00
&rst
iat=1694,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LEU HA 107 GLN HG3 5.00
&rst
iat=1694,1749, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LEU HA 107 GLN QG 4.23
&rst
iat=1694,1747, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 104 LEU HA 118 TYR CG 7.20
&rst
iat=1694,1931, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 104 LEU HA 118 TYR CZ 4.80
&rst
iat=1694,1936, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 104 LEU QB 105 VAL HN 5.88
&rst
iat=1695,1711, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 104 LEU QB 118 TYR CG 8.08
&rst
iat=1695,1931, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 104 LEU QB 118 TYR CZ 8.08
&rst
iat=1695,1936, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 104 LEU QB 119 ILE QG2 6.88
&rst
iat=1695,1951, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 104 LEU HG 105 VAL HN 5.00
&rst
iat=1699,1711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LEU HG 118 TYR CG 7.20
&rst
iat=1699,1931, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 104 LEU HG 118 TYR CZ 7.20
&rst
iat=1699,1936, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 104 LEU HG 119 ILE QG2 6.00
&rst
iat=1699,1951, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU QD1 109 LEU QD1 7.64
&rst
iat=1700,1790, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 104 LEU QD1 109 LEU QD2 7.64
&rst
iat=1700,1794, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 104 LEU QD1 118 TYR CG 6.70
&rst
iat=1700,1931, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 104 LEU QD1 118 TYR CZ 6.70
&rst
iat=1700,1936, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 104 LEU QD1 119 ILE HA 6.00
&rst
iat=1700,1948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU QD2 109 LEU QD1 7.64
&rst
iat=1704,1790, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 104 LEU QD2 109 LEU QD2 7.64
&rst
iat=1704,1794, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 104 LEU QD2 118 TYR CG 6.70
&rst
iat=1704,1931, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 104 LEU QD2 118 TYR CZ 6.70
&rst
iat=1704,1936, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 104 LEU QD2 119 ILE HA 6.00
&rst
iat=1704,1948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU QQD 109 LEU QQD 5.86
&rst
iat=1698,1788, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 104 LEU QQD 115 VAL QQG 7.63
&rst
iat=1698,1879, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, &end
#
# 104 LEU QQD 118 TYR QB 8.45
&rst
iat=1698,1928, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 104 LEU QQD 118 TYR CG 6.07
&rst
iat=1698,1931, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 104 LEU QQD 118 TYR CZ 6.07
&rst
iat=1698,1936, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 104 LEU QQD 119 ILE HN 7.57
&rst
iat=1698,1946, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 104 LEU QQD 119 ILE HA 5.07
&rst
iat=1698,1948, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 104 LEU QQD 119 ILE HB 6.07
&rst
iat=1698,1950, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 104 LEU QQD 119 ILE QG2 7.07
&rst
iat=1698,1951, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 104 LEU QQD 119 ILE QD1 7.07
&rst
iat=1698,1958, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 105 VAL HN 105 VAL HB 2.60
&rst
iat=1711,1715, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 105 VAL HN 105 VAL QG1 4.50
&rst
iat=1711,1716, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL HN 105 VAL QG2 4.50
&rst
iat=1711,1720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL HN 105 VAL QQG 3.76
&rst
iat=1711,1714, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 105 VAL HN 106 ASN HN 3.50
&rst
iat=1711,1727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 VAL HA 107 GLN HN 5.00
&rst
iat=1713,1741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 VAL HB 106 ASN HN 5.00
&rst
iat=1715,1727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 VAL QG1 106 ASN HN 6.00
&rst
iat=1716,1727, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 VAL QG1 106 ASN HD21 10.12
&rst
iat=1716,1736, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 105 VAL QG1 106 ASN HD22 10.12
&rst
iat=1716,1737, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 105 VAL QG2 106 ASN HN 6.00
&rst
iat=1720,1727, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 VAL QG2 106 ASN HD21 10.12
&rst
iat=1720,1736, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 105 VAL QG2 106 ASN HD22 10.12
&rst
iat=1720,1737, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62, &end
#
# 105 VAL QQG 106 ASN QD2 8.52
&rst
iat=1714,1735, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, &end
#
# 106 ASN HN 106 ASN QB 3.77
&rst
iat=1727,1730, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 106 ASN HN 106 ASN QD2 6.87
&rst
iat=1727,1735, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, &end
#
# 106 ASN HN 107 GLN HN 3.50
&rst
iat=1727,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 GLN HN 107 GLN QB 3.77
&rst
iat=1741,1744, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 107 GLN HN 107 GLN HG2 5.00
&rst
iat=1741,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 GLN HN 107 GLN HG3 5.00
&rst
iat=1741,1749, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 GLN HN 107 GLN QG 4.23
&rst
iat=1741,1747, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 107 GLN HN 107 GLN HE21 6.00
&rst
iat=1741,1753, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 GLN HN 107 GLN HE22 6.00
&rst
iat=1741,1754, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 GLN HN 108 ARG+ HN 3.50
&rst
iat=1741,1758, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 GLN HN 109 LEU QQD 7.57
&rst
iat=1741,1788, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 107 GLN HN 118 TYR CZ 7.20
&rst
iat=1741,1936, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 107 GLN HA 108 ARG+ HN 3.50
&rst
iat=1743,1758, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 GLN HB2 109 LEU QD1 9.14
&rst
iat=1745,1790, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 107 GLN HB2 109 LEU QD2 9.14
&rst
iat=1745,1794, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 107 GLN HB3 109 LEU QD1 9.14
&rst
iat=1746,1790, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 107 GLN HB3 109 LEU QD2 9.14
&rst
iat=1746,1794, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 107 GLN QB 109 LEU QQD 6.80
&rst
iat=1744,1788, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 107 GLN QB 118 TYR CZ 8.08
&rst
iat=1744,1936, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 107 GLN HG2 118 TYR CZ 5.70
&rst
iat=1748,1936, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 107 GLN HG3 118 TYR CZ 5.70
&rst
iat=1749,1936, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 107 GLN QG 108 ARG+ HN 5.88
&rst
iat=1747,1758, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 107 GLN QG 109 LEU QQD 8.45
&rst
iat=1747,1788, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 107 GLN QG 118 TYR CG 6.58
&rst
iat=1747,1931, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 108 ARG+ HN 108 ARG+ HG2 5.00
&rst
iat=1758,1765, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 ARG+ HN 108 ARG+ HG3 5.00
&rst
iat=1758,1766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 ARG+ HN 115 VAL QQG 7.56
#&rst
# iat=1758,1879, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 108 ARG+ HA 109 LEU HN 2.60
&rst
iat=1760,1782, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 108 ARG+ QB 108 ARG+ HE 6.88
&rst
iat=1761,1771, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 108 ARG+ QB 115 VAL QQG 6.94
#&rst
# iat=1761,1879, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 109 LEU HN 109 LEU HG 2.60
&rst
iat=1782,1789, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 109 LEU HN 109 LEU QQD 7.57
&rst
iat=1782,1788, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 109 LEU HA 109 LEU HG 3.50
&rst
iat=1784,1789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HA 109 LEU QD1 6.00
&rst
iat=1784,1790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HA 109 LEU QD2 6.00
&rst
iat=1784,1794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HA 110 GLN HN 2.60
&rst
iat=1784,1801, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 109 LEU HA 111 SER HN 5.00
&rst
iat=1784,1818, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 LEU HA 114 GLU- HB2 5.00
&rst
iat=1784,1865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 LEU HA 114 GLU- HB3 5.00
&rst
iat=1784,1866, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 LEU HA 115 VAL QQG 7.56
&rst
iat=1784,1879, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 109 LEU HB2 110 GLN HN 3.50
&rst
iat=1786,1801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HB3 110 GLN HN 3.50
&rst
iat=1787,1801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU QB 111 SER HN 5.88
&rst
iat=1785,1818, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 109 LEU HG 115 VAL HA 5.00
&rst
iat=1789,1878, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 LEU HG 115 VAL QQG 7.56
&rst
iat=1789,1879, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 109 LEU HG 118 TYR CZ 7.20
&rst
iat=1789,1936, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 109 LEU QD1 114 GLU- HB2 9.14
&rst
iat=1790,1865, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 109 LEU QD1 114 GLU- HB3 9.14
&rst
iat=1790,1866, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 109 LEU QD1 115 VAL HA 6.00
&rst
iat=1790,1878, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU QD1 115 VAL QG1 10.14
&rst
iat=1790,1881, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 109 LEU QD1 115 VAL QG2 10.14
&rst
iat=1790,1885, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 109 LEU QD1 118 TYR HB2 7.64
&rst
iat=1790,1929, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 109 LEU QD1 118 TYR HB3 7.64
&rst
iat=1790,1930, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 109 LEU QD1 118 TYR CG 6.70
&rst
iat=1790,1931, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 109 LEU QD1 118 TYR CZ 8.20
&rst
iat=1790,1936, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 109 LEU QD2 114 GLU- HB2 9.14
&rst
iat=1794,1865, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 109 LEU QD2 114 GLU- HB3 9.14
&rst
iat=1794,1866, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 109 LEU QD2 115 VAL HA 6.00
&rst
iat=1794,1878, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU QD2 115 VAL QG1 10.14
&rst
iat=1794,1881, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 109 LEU QD2 115 VAL QG2 10.14
&rst
iat=1794,1885, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, &end
#
# 109 LEU QD2 118 TYR HB2 7.64
&rst
iat=1794,1929, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 109 LEU QD2 118 TYR HB3 7.64
&rst
iat=1794,1930, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 109 LEU QD2 118 TYR CG 6.70
&rst
iat=1794,1931, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 109 LEU QD2 118 TYR CZ 8.20
&rst
iat=1794,1936, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 109 LEU QQD 110 GLN HN 7.57
&rst
iat=1788,1801, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 109 LEU QQD 111 SER HN 7.57
&rst
iat=1788,1818, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 109 LEU QQD 114 GLU- HA 7.57
&rst
iat=1788,1863, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 109 LEU QQD 114 GLU- QB 7.52
&rst
iat=1788,1864, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, &end
#
# 109 LEU QQD 115 VAL HN 7.57
&rst
iat=1788,1876, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 109 LEU QQD 115 VAL HA 4.69
&rst
iat=1788,1878, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 109 LEU QQD 115 VAL QQG 7.26
&rst
iat=1788,1879, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, &end
#
# 109 LEU QQD 116 LEU HN 8.57
&rst
iat=1788,1892, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 109 LEU QQD 118 TYR HN 7.57
&rst
iat=1788,1925, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 109 LEU QQD 118 TYR HA 7.57
&rst
iat=1788,1927, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 109 LEU QQD 118 TYR QB 6.01
&rst
iat=1788,1928, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 110 GLN HN 110 GLN QB 3.77
&rst
iat=1801,1804, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 110 GLN HN 110 GLN QG 5.88
&rst
iat=1801,1807, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 110 GLN HN 111 SER HN 2.60
&rst
iat=1801,1818, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 110 GLN HN 114 GLU- QB 6.88
&rst
iat=1801,1864, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 110 GLN HN 115 VAL HN 6.00
&rst
iat=1801,1876, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 GLN HN 115 VAL QQG 7.56
&rst
iat=1801,1879, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 110 GLN HA 115 VAL QQG 8.56
&rst
iat=1803,1879, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 111 SER HN 111 SER QB 3.77
&rst
iat=1818,1821, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 111 SER HN 112 GLU- HN 5.00
&rst
iat=1818,1829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 SER HN 114 GLU- HN 5.00
&rst
iat=1818,1861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 SER HN 115 VAL QQG 8.56
&rst
iat=1818,1879, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 111 SER HA 112 GLU- HN 2.60
&rst
iat=1820,1829, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 111 SER HA 113 GLN HN 5.00
&rst
iat=1820,1844, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 SER HA 114 GLU- HN 5.00
&rst
iat=1820,1861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 SER HA 114 GLU- QB 5.88
&rst
iat=1820,1864, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 111 SER HA 115 VAL QQG 8.56
&rst
iat=1820,1879, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 111 SER HB2 112 GLU- HN 5.00
&rst
iat=1822,1829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 SER HB3 112 GLU- HN 5.00
&rst
iat=1823,1829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 SER QB 112 GLU- HN 4.23
&rst
iat=1821,1829, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 111 SER QB 113 GLN HN 5.88
&rst
iat=1821,1844, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 112 GLU- HN 112 GLU- QB 3.77
&rst
iat=1829,1832, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 112 GLU- HN 112 GLU- HG2 5.00
&rst
iat=1829,1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 GLU- HN 112 GLU- HG3 5.00
&rst
iat=1829,1837, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 GLU- HN 112 GLU- QG 4.23
&rst
iat=1829,1835, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 112 GLU- HN 113 GLN HN 3.50
&rst
iat=1829,1844, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 GLU- HN 115 VAL QQG 7.56
&rst
iat=1829,1879, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 112 GLU- HA 113 GLN HN 3.50
&rst
iat=1831,1844, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 GLU- HA 115 VAL HN 5.00
&rst
iat=1831,1876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 GLU- HA 115 VAL QQG 6.06
&rst
iat=1831,1879, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 112 GLU- QG 113 GLN HN 5.88
&rst
iat=1835,1844, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 113 GLN HN 113 GLN QB 3.38
&rst
iat=1844,1847, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 113 GLN HN 114 GLU- HN 2.60
&rst
iat=1844,1861, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 113 GLN HA 115 VAL QQG 8.56
&rst
iat=1846,1879, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 113 GLN HA 116 LEU HN 3.50
&rst
iat=1846,1892, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 GLN HA 116 LEU QB 4.38
&rst
iat=1846,1895, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 113 GLN HA 116 LEU HG 5.00
&rst
iat=1846,1899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 GLN HA 116 LEU QQD 7.57
&rst
iat=1846,1898, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 113 GLN HA 117 ASN HN 5.00
&rst
iat=1846,1911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 GLN HE21 117 ASN HD21 6.73
&rst
iat=1856,1920, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 113 GLN HE21 117 ASN HD22 6.73
&rst
iat=1856,1921, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 113 GLN HE22 117 ASN HD21 6.73
&rst
iat=1857,1920, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 113 GLN HE22 117 ASN HD22 6.73
&rst
iat=1857,1921, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 113 GLN QE2 116 LEU QB 7.74
&rst
iat=1855,1895, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, &end
#
# 113 GLN QE2 116 LEU QQD 9.44
&rst
iat=1855,1898, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, &end
#
# 113 GLN QE2 117 ASN QD2 5.80
&rst
iat=1855,1919, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 113 GLN O 117 ASN HN 2.20
&rst
iat=1859,1911, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 114 GLU- HN 114 GLU- QB 3.77
&rst
iat=1861,1864, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 114 GLU- HN 115 VAL HN 2.60
&rst
iat=1861,1876, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 114 GLU- HA 117 ASN HN 3.50
&rst
iat=1863,1911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 GLU- HA 117 ASN QB 4.38
&rst
iat=1863,1914, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 114 GLU- HA 117 ASN HD21 5.00
&rst
iat=1863,1920, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- HA 117 ASN HD22 5.00
&rst
iat=1863,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- HB2 115 VAL HN 5.00
&rst
iat=1865,1876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- HB3 115 VAL HN 5.00
&rst
iat=1866,1876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- HG2 117 ASN HD21 5.00
&rst
iat=1868,1920, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- HG2 117 ASN HD22 5.00
&rst
iat=1868,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- HG3 117 ASN HD21 5.00
&rst
iat=1869,1920, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- HG3 117 ASN HD22 5.00
&rst
iat=1869,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLU- QG 117 ASN HN 5.88
&rst
iat=1867,1911, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 114 GLU- O 118 TYR HN 2.20
&rst
iat=1874,1925, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 115 VAL HN 115 VAL QQG 4.01
&rst
iat=1876,1879, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 115 VAL HN 116 LEU HN 2.60
&rst
iat=1876,1892, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 115 VAL HA 118 TYR HN 5.00
&rst
iat=1878,1925, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 VAL HA 118 TYR HB2 5.00
&rst
iat=1878,1929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 VAL HA 118 TYR HB3 5.00
&rst
iat=1878,1930, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 VAL HA 119 ILE HN 5.00
&rst
iat=1878,1946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 VAL HB 119 ILE QG2 6.00
&rst
iat=1880,1951, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 VAL QG1 119 ILE HG12 7.75
&rst
iat=1881,1956, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 115 VAL QG1 119 ILE HG13 7.75
&rst
iat=1881,1957, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 115 VAL QG2 119 ILE HG12 7.75
&rst
iat=1885,1956, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 115 VAL QG2 119 ILE HG13 7.75
&rst
iat=1885,1957, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 115 VAL QQG 116 LEU HN 7.56
&rst
iat=1879,1892, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end
#
# 115 VAL QQG 118 TYR CG 9.76
&rst
iat=1879,1931, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, &end
#
# 115 VAL QQG 119 ILE HN 6.06
&rst
iat=1879,1946, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 115 VAL QQG 119 ILE HA 8.56
&rst
iat=1879,1948, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 115 VAL QQG 119 ILE QG2 7.06
&rst
iat=1879,1951, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end
#
# 115 VAL QQG 119 ILE QG1 6.70
&rst
iat=1879,1955, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 115 VAL QQG 120 GLU- HN 8.56
&rst
iat=1879,1965, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end
#
# 115 VAL O 119 ILE HN 2.20
&rst
iat=1890,1946, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 116 LEU HN 116 LEU HG 2.60
&rst
iat=1892,1899, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 116 LEU HN 116 LEU QQD 7.57
&rst
iat=1892,1898, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 116 LEU HN 117 ASN HN 3.50
&rst
iat=1892,1911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LEU HA 119 ILE HN 5.00
&rst
iat=1894,1946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LEU HA 119 ILE QG2 4.50
&rst
iat=1894,1951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LEU HG 117 ASN HN 3.50
&rst
iat=1899,1911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LEU QQD 117 ASN HN 7.57
&rst
iat=1898,1911, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 116 LEU QQD 119 ILE HN 7.57
&rst
iat=1898,1946, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 116 LEU QQD 120 GLU- HN 7.57
&rst
iat=1898,1965, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 116 LEU O 120 GLU- HN 2.20
&rst
iat=1909,1965, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 117 ASN HN 117 ASN QB 3.77
&rst
iat=1911,1914, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 117 ASN HN 118 TYR HN 3.50
&rst
iat=1911,1925, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 ASN HA 120 GLU- HN 5.00
&rst
iat=1913,1965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASN HA 120 GLU- HB2 5.00
&rst
iat=1913,1969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASN HA 120 GLU- HB3 5.00
&rst
iat=1913,1970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASN HA 120 GLU- QB 4.23
&rst
iat=1913,1968, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 117 ASN O 121 THR HN 2.20
&rst
iat=1923,1980, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 118 TYR HN 118 TYR HB2 3.50
&rst
iat=1925,1929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 TYR HN 118 TYR HB3 3.50
&rst
iat=1925,1930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 TYR HN 118 TYR QB 2.96
&rst
iat=1925,1928, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 118 TYR HN 119 ILE HN 3.50
&rst
iat=1925,1946, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 TYR HA 121 THR QG2 6.00
&rst
iat=1927,1985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 TYR HB2 119 ILE HN 5.00
&rst
iat=1929,1946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 TYR HB3 119 ILE HN 5.00
&rst
iat=1930,1946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 TYR QB 119 ILE HN 4.23
&rst
iat=1928,1946, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 118 TYR CG 122 GLN QB 8.08
&rst
iat=1931,1997, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 118 TYR CG 122 GLN QG 8.08
&rst
iat=1931,2000, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 118 TYR CZ 122 GLN QG 6.58
&rst
iat=1936,2000, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 118 TYR O 122 GLN HN 2.20
&rst
iat=1944,1994, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 119 ILE HN 119 ILE QD1 6.00
&rst
iat=1946,1958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE HN 120 GLU- HN 3.50
&rst
iat=1946,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 ILE HA 122 GLN HN 3.50
&rst
iat=1948,1994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 ILE HA 122 GLN HG2 5.00
&rst
iat=1948,2001, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 ILE HA 122 GLN HG3 5.00
&rst
iat=1948,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 ILE HA 123 ARG+ HN 5.00
&rst
iat=1948,2011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 ILE QG2 120 GLU- HN 6.00
&rst
iat=1951,1965, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE QG2 122 GLN HN 6.00
&rst
iat=1951,1994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE QG2 122 GLN QB 7.88
&rst
iat=1951,1997, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, &end
#
# 119 ILE QG2 123 ARG+ HN 6.00
&rst
iat=1951,2011, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE QG2 123 ARG+ HB2 6.00
&rst
iat=1951,2015, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE QG2 123 ARG+ HB3 6.00
&rst
iat=1951,2016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE QG2 123 ARG+ QB 5.23
&rst
iat=1951,2014, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 119 ILE QG2 123 ARG+ HD2 6.00
&rst
iat=1951,2021, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE QG2 123 ARG+ HD3 6.00
&rst
iat=1951,2022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 ILE QG2 123 ARG+ QD 5.23
&rst
iat=1951,2020, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 119 ILE O 123 ARG+ HN 2.20
&rst
iat=1963,2011, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 120 GLU- HN 120 GLU- QB 3.38
&rst
iat=1965,1968, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 120 GLU- HN 120 GLU- QG 5.88
&rst
iat=1965,1971, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 120 GLU- HN 121 THR HN 3.50
&rst
iat=1965,1980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 GLU- O 124 THR HN 2.20
&rst
iat=1978,2035, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 121 THR HN 121 THR HB 3.50
&rst
iat=1980,1984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 THR HN 122 GLN HN 3.50
&rst
iat=1980,1994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 THR HN 123 ARG+ HN 5.00
&rst
iat=1980,2011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 THR HA 124 THR HN 5.00
&rst
iat=1982,2035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 THR HA 124 THR HB 3.50
&rst
iat=1982,2039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 THR HA 124 THR QG2 6.00
&rst
iat=1982,2040, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 THR HA 125 TYR HN 5.00
&rst
iat=1982,2049, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 THR HB 122 GLN HN 5.00
&rst
iat=1984,1994, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 THR QG2 122 GLN HN 6.00
&rst
iat=1985,1994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 THR O 125 TYR HN 2.20
&rst
iat=1992,2049, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 122 GLN HN 122 GLN HB2 3.50
&rst
iat=1994,1998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 GLN HN 122 GLN HB3 3.50
&rst
iat=1994,1999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 GLN HN 122 GLN QB 2.96
&rst
iat=1994,1997, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 122 GLN HN 122 GLN HG2 5.00
&rst
iat=1994,2001, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HN 122 GLN HG3 5.00
&rst
iat=1994,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HN 123 ARG+ HN 3.50
&rst
iat=1994,2011, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 GLN HA 122 GLN HE21 6.00
&rst
iat=1996,2006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLN HA 122 GLN HE22 6.00
&rst
iat=1996,2007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLN HA 122 GLN QE2 5.45
&rst
iat=1996,2005, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 122 GLN HA 125 TYR HB2 3.50
&rst
iat=1996,2053, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 GLN HA 125 TYR HB3 3.50
&rst
iat=1996,2054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 GLN HA 125 TYR CG 5.70
&rst
iat=1996,2055, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 122 GLN HA 126 TRP HN 5.00
&rst
iat=1996,2070, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HA 126 TRP HD1 6.00
&rst
iat=1996,2078, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLN HB2 122 GLN HE21 5.00
&rst
iat=1998,2006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HB2 122 GLN HE22 5.00
&rst
iat=1998,2007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HB3 122 GLN HE21 5.00
&rst
iat=1999,2006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HB3 122 GLN HE22 5.00
&rst
iat=1999,2007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN QB 122 GLN QE2 4.51
&rst
iat=1997,2005, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 122 GLN QG 123 ARG+ HN 5.88
&rst
iat=2000,2011, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 122 GLN QG 126 TRP HD1 6.88
&rst
iat=2000,2078, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 122 GLN O 126 TRP HN 2.20
&rst
iat=2009,2070, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 123 ARG+ HN 123 ARG+ QB 3.77
&rst
iat=2011,2014, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 123 ARG+ HN 123 ARG+ HG2 5.00
&rst
iat=2011,2018, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ARG+ HN 123 ARG+ HG3 5.00
&rst
iat=2011,2019, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ARG+ HN 123 ARG+ QG 4.23
&rst
iat=2011,2017, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 123 ARG+ HN 123 ARG+ QD 6.88
&rst
iat=2011,2020, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 123 ARG+ HN 124 THR HN 3.50
&rst
iat=2011,2035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 ARG+ HA 126 TRP HN 5.00
&rst
iat=2013,2070, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ARG+ HA 126 TRP HB2 6.00
&rst
iat=2013,2074, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 ARG+ HA 126 TRP HB3 6.00
&rst
iat=2013,2075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 ARG+ HA 126 TRP QB 5.45
&rst
iat=2013,2073, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 123 ARG+ HA 126 TRP HD1 5.00
&rst
iat=2013,2078, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ARG+ HB2 124 THR HN 5.00
&rst
iat=2015,2035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ARG+ HB3 124 THR HN 5.00
&rst
iat=2016,2035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ARG+ QG 124 THR HN 4.38
&rst
iat=2017,2035, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 123 ARG+ O 127 LYS+ HN 2.20
&rst
iat=2033,2094, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 124 THR HN 124 THR HB 2.60
&rst
iat=2035,2039, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 124 THR HN 125 TYR HN 3.50
&rst
iat=2035,2049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 THR HN 127 LYS+ HN 5.00
&rst
iat=2035,2094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HN 3.50
&rst
iat=2037,2094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 THR HA 127 LYS+ HB2 5.00
&rst
iat=2037,2098, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HB3 5.00
&rst
iat=2037,2099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HG2 5.00
&rst
iat=2037,2101, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HG3 5.00
&rst
iat=2037,2102, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HD2 5.00
&rst
iat=2037,2104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HD3 5.00
&rst
iat=2037,2105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HE2 5.00
&rst
iat=2037,2107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 127 LYS+ HE3 5.00
&rst
iat=2037,2108, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 THR HB 125 TYR HN 3.50
&rst
iat=2039,2049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 THR QG2 125 TYR HN 6.00
&rst
iat=2040,2049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 THR QG2 127 LYS+ HN 7.00
&rst
iat=2040,2094, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 124 THR QG2 127 LYS+ HE2 6.00
&rst
iat=2040,2107, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 THR QG2 127 LYS+ HE3 6.00
&rst
iat=2040,2108, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 THR QG2 127 LYS+ QE 5.23
&rst
iat=2040,2106, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 124 THR QG2 128 LEU HN 6.00
&rst
iat=2040,2116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 THR O 128 LEU HN 2.20
&rst
iat=2047,2116, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 125 TYR HN 125 TYR QB 3.75
&rst
iat=2049,2052, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 125 TYR HN 126 TRP HN 3.50
&rst
iat=2049,2070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 TYR HA 128 LEU HN 3.50
&rst
iat=2051,2116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 TYR HB2 126 TRP HN 5.00
&rst
iat=2053,2070, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 TYR HB3 126 TRP HN 5.00
&rst
iat=2054,2070, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 TYR CG 126 TRP HN 7.20
&rst
iat=2055,2070, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CG 126 TRP HD1 7.20
&rst
iat=2055,2078, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CG 126 TRP HE1 7.20
&rst
iat=2055,2080, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CG 126 TRP HZ2 7.20
&rst
iat=2055,2083, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CG 127 LYS+ HN 7.20
&rst
iat=2055,2094, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CG 128 LEU QB 8.08
&rst
iat=2055,2119, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 125 TYR CG 128 LEU QQD 9.77
&rst
iat=2055,2122, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, &end
#
# 125 TYR CG 129 GLU- HN 7.20
&rst
iat=2055,2135, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CG 129 GLU- QB 8.08
&rst
iat=2055,2138, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 125 TYR CZ 126 TRP HD1 7.20
&rst
iat=2060,2078, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CZ 126 TRP HZ3 8.20
&rst
iat=2060,2087, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 125 TYR CZ 126 TRP HZ2 7.20
&rst
iat=2060,2083, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 125 TYR CZ 126 TRP HH2 8.20
&rst
iat=2060,2085, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 125 TYR CZ 129 GLU- QB 8.08
&rst
iat=2060,2138, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 125 TYR CZ 129 GLU- QG 8.08
&rst
iat=2060,2141, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 125 TYR O 129 GLU- HN 2.20
&rst
iat=2068,2135, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 126 TRP HN 126 TRP QB 3.76
&rst
iat=2070,2073, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 126 TRP HN 126 TRP HD1 5.00
&rst
iat=2070,2078, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HN 126 TRP HE3 6.00
&rst
iat=2070,2089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 TRP HN 127 LYS+ HN 3.50
&rst
iat=2070,2094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 TRP HA 126 TRP HE3 3.50
&rst
iat=2072,2089, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 TRP HA 129 GLU- HN 5.00
&rst
iat=2072,2135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HB2 127 LYS+ HN 5.00
&rst
iat=2074,2094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HB3 127 LYS+ HN 5.00
&rst
iat=2075,2094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HE3 129 GLU- HN 6.00
&rst
iat=2089,2135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 TRP HE3 129 GLU- HA 6.00
&rst
iat=2089,2137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 TRP HE3 129 GLU- HB2 5.00
&rst
iat=2089,2139, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HE3 129 GLU- HB3 5.00
&rst
iat=2089,2140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HE3 129 GLU- QB 4.23
&rst
iat=2089,2138, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 126 TRP HE3 129 GLU- HG2 5.00
&rst
iat=2089,2142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HE3 129 GLU- HG3 5.00
&rst
iat=2089,2143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HE3 130 ASN HN 5.00
&rst
iat=2089,2150, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HE3 130 ASN HD21 5.00
&rst
iat=2089,2159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HE3 130 ASN HD22 5.00
&rst
iat=2089,2160, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 TRP HZ3 129 GLU- QB 5.88
&rst
iat=2087,2138, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 126 TRP HZ3 129 GLU- QG 5.88
&rst
iat=2087,2141, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 126 TRP HZ3 130 ASN QD2 6.87
&rst
iat=2087,2158, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, &end
#
# 127 LYS+ HN 127 LYS+ QB 3.77
&rst
iat=2094,2097, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 127 LYS+ HN 127 LYS+ QE 5.88
&rst
iat=2094,2106, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 127 LYS+ HN 128 LEU HN 3.50
&rst
iat=2094,2116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 LYS+ HA 130 ASN HN 5.00
&rst
iat=2096,2150, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 LYS+ HA 130 ASN HB2 5.00
&rst
iat=2096,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 LYS+ HA 130 ASN HB3 5.00
&rst
iat=2096,2155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 LYS+ HA 130 ASN HD21 5.00
&rst
iat=2096,2159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 LYS+ HA 130 ASN HD22 5.00
&rst
iat=2096,2160, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 LYS+ QB 128 LEU HN 4.38
&rst
iat=2097,2116, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 128 LEU HN 128 LEU QB 3.76
&rst
iat=2116,2119, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 128 LEU HN 128 LEU HG 3.50
&rst
iat=2116,2123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LEU HN 128 LEU QQD 7.57
&rst
iat=2116,2122, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 128 LEU HN 129 GLU- HN 3.50
&rst
iat=2116,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LEU HA 128 LEU QD1 4.50
&rst
iat=2118,2124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 LEU HA 128 LEU QD2 4.50
&rst
iat=2118,2128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 LEU HA 128 LEU QQD 3.76
&rst
iat=2118,2122, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 128 LEU HA 131 GLN HB2 3.50
&rst
iat=2118,2168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LEU HA 131 GLN HB3 3.50
&rst
iat=2118,2169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LEU HA 131 GLN HG2 5.00
&rst
iat=2118,2171, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 LEU HA 131 GLN HG3 5.00
&rst
iat=2118,2172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 LEU QB 129 GLU- HN 5.88
&rst
iat=2119,2135, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 128 LEU QD1 131 GLN HE21 6.23
&rst
iat=2124,2176, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 128 LEU QD1 131 GLN HE22 6.23
&rst
iat=2124,2177, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 128 LEU QD2 131 GLN HE21 6.23
&rst
iat=2128,2176, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 128 LEU QD2 131 GLN HE22 6.23
&rst
iat=2128,2177, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 128 LEU QQD 131 GLN QG 8.45
&rst
iat=2122,2170, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end
#
# 128 LEU QQD 131 GLN QE2 4.66
&rst
iat=2122,2175, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 129 GLU- HN 129 GLU- QB 3.77
&rst
iat=2135,2138, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 129 GLU- HN 130 ASN HN 3.50
&rst
iat=2135,2150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 129 GLU- HA 132 LYS+ HN 5.00
&rst
iat=2137,2181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 GLU- HA 132 LYS+ QG 5.88
&rst
iat=2137,2187, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 129 GLU- HA 132 LYS+ QD 4.38
&rst
iat=2137,2190, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 130 ASN HN 130 ASN QB 3.77
&rst
iat=2150,2153, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 130 ASN HN 131 GLN HN 2.60
&rst
iat=2150,2164, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 130 ASN HN 132 LYS+ HN 6.00
&rst
iat=2150,2181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 ASN HA 132 LYS+ HN 5.00
&rst
iat=2152,2181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 GLN HN 131 GLN HB2 3.50
&rst
iat=2164,2168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 GLN HN 131 GLN HB3 3.50
&rst
iat=2164,2169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 GLN HN 131 GLN QB 2.96
&rst
iat=2164,2167, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 131 GLN HN 131 GLN HG2 5.00
&rst
iat=2164,2171, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 GLN HN 131 GLN HG3 5.00
&rst
iat=2164,2172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 GLN HN 132 LYS+ HN 2.60
&rst
iat=2164,2181, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 131 GLN HB2 132 LYS+ HN 5.00
&rst
iat=2168,2181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 GLN HB3 132 LYS+ HN 5.00
&rst
iat=2169,2181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 LYS+ HN 132 LYS+ HB2 3.50
&rst
iat=2181,2185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LYS+ HN 132 LYS+ HB3 3.50
&rst
iat=2181,2186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LYS+ HN 132 LYS+ QB 2.96
&rst
iat=2181,2184, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 132 LYS+ HN 132 LYS+ HG2 5.00
&rst
iat=2181,2188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 LYS+ HN 132 LYS+ HG3 5.00
&rst
iat=2181,2189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 LYS+ HN 133 LYS+ HN 5.00
&rst
iat=2181,2203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 LYS+ HA 133 LYS+ HN 2.60
&rst
iat=2183,2203, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 133 LYS+ HN 133 LYS+ QB 3.77
&rst
iat=2203,2206, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 133 LYS+ HN 133 LYS+ HG2 5.00
&rst
iat=2203,2210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 LYS+ HN 133 LYS+ HG3 5.00
&rst
iat=2203,2211, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 LYS+ HA 134 LEU HN 2.60
&rst
iat=2205,2225, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 133 LYS+ QB 135 TYR CG 8.08
&rst
iat=2206,2250, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 133 LYS+ QB 135 TYR CZ 8.08
&rst
iat=2206,2255, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 133 LYS+ QG 134 LEU HN 5.88
&rst
iat=2209,2225, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 133 LYS+ HD2 135 TYR CG 7.20
&rst
iat=2213,2250, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 133 LYS+ HD2 135 TYR CZ 7.20
&rst
iat=2213,2255, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 133 LYS+ HD3 135 TYR CG 7.20
&rst
iat=2214,2250, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 133 LYS+ HD3 135 TYR CZ 7.20
&rst
iat=2214,2255, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 134 LEU HN 134 LEU QB 3.76
&rst
iat=2225,2228, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 134 LEU HN 134 LEU HG 5.00
&rst
iat=2225,2232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 LEU HN 134 LEU QQD 7.57
&rst
iat=2225,2231, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end
#
# 134 LEU HA 134 LEU QD1 6.00
&rst
iat=2227,2233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU HA 134 LEU QD2 6.00
&rst
iat=2227,2237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU HA 135 TYR HN 2.60
&rst
iat=2227,2244, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 134 LEU HB2 135 TYR HN 5.00
&rst
iat=2229,2244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 LEU HB3 135 TYR HN 5.00
&rst
iat=2230,2244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 LEU HG 135 TYR HN 5.00
&rst
iat=2232,2244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 LEU HG 136 ARG+ HN 5.00
&rst
iat=2232,2265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 LEU QD1 135 TYR HN 6.00
&rst
iat=2233,2244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU QD1 136 ARG+ HN 6.00
&rst
iat=2233,2265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU QD1 136 ARG+ HD2 7.75
&rst
iat=2233,2275, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 134 LEU QD1 136 ARG+ HD3 7.75
&rst
iat=2233,2276, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 134 LEU QD1 136 ARG+ HE 6.00
&rst
iat=2233,2278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU QD2 135 TYR HN 6.00
&rst
iat=2237,2244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU QD2 136 ARG+ HN 6.00
&rst
iat=2237,2265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU QD2 136 ARG+ HD2 7.75
&rst
iat=2237,2275, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 134 LEU QD2 136 ARG+ HD3 7.75
&rst
iat=2237,2276, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end
#
# 134 LEU QD2 136 ARG+ HE 6.00
&rst
iat=2237,2278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 LEU QQD 135 TYR HN 5.07
&rst
iat=2231,2244, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 134 LEU QQD 136 ARG+ QD 6.69
&rst
iat=2231,2274, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 134 LEU QQD 137 GLY HN 8.57
&rst
iat=2231,2289, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end
#
# 134 LEU QQD 137 GLY QA 9.45
&rst
iat=2231,2290, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, &end
#
# 135 TYR HN 135 TYR QB 3.75
&rst
iat=2244,2247, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 135 TYR HA 136 ARG+ HN 3.50
&rst
iat=2246,2265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 TYR HA 137 GLY HN 6.00
&rst
iat=2246,2289, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 TYR CG 137 GLY HN 8.20
&rst
iat=2250,2289, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 135 TYR CG 137 GLY QA 8.08
&rst
iat=2250,2290, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 135 TYR CZ 137 GLY HN 8.20
&rst
iat=2255,2289, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 135 TYR CZ 137 GLY QA 8.08
&rst
iat=2255,2290, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, &end
#
# 135 TYR CZ 138 SER HN 8.20
&rst
iat=2255,2296, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 136 ARG+ HN 136 ARG+ QB 3.77
&rst
iat=2265,2268, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 136 ARG+ HN 136 ARG+ HG2 5.00
&rst
iat=2265,2272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 ARG+ HN 136 ARG+ HG3 5.00
&rst
iat=2265,2273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 ARG+ HB2 137 GLY HN 5.00
&rst
iat=2269,2289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 ARG+ HB3 137 GLY HN 5.00
&rst
iat=2270,2289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 ARG+ QB 137 GLY HN 4.23
&rst
iat=2268,2289, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 136 ARG+ HG2 137 GLY HN 5.00
&rst
iat=2272,2289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 ARG+ HG3 137 GLY HN 5.00
&rst
iat=2273,2289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 ARG+ QD 137 GLY HN 5.88
&rst
iat=2274,2289, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 138 SER HA 139 LEU HN 3.50
&rst
iat=2298,2307, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 139 LEU HN 139 LEU QD1 6.00
&rst
iat=2307,2315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 LEU HN 139 LEU QD2 6.00
&rst
iat=2307,2319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 LEU HA 139 LEU QD1 6.00
&rst
iat=2309,2315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 LEU HA 139 LEU QD2 6.00
&rst
iat=2309,2319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 LEU HA 140 LYS+ HN 2.60
&rst
iat=2309,2326, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 140 LYS+ HN 140 LYS+ QB 3.77
&rst
iat=2326,2329, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 140 LYS+ HN 140 LYS+ QG 5.88
&rst
iat=2326,2332, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
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