*HEADER    METAL BINDING PROTEIN                   18-AUG-00   1FMY              
*TITLE     HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF             
*TITLE    2 CU7 METALLOTHIONEIN                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: METALLOTHIONEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 9 TO 48                                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 STRAIN: X-2180-1AA                                                   
*KEYWDS    METALLOTHIONEIN, NMR, COPPER, SACCHAROMYCES CEREVISIAE                
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    I.BERTINI, H.J.HARTMANN, T.KLEIN, G.LIU, C.LUCHINAT, U.WESER          
*REVDAT   1   13-SEP-00 1FMY    0                                                
# Sander input file.
# generated by distcon, by Francesco Piantini
# Diana file   : new.upl
# PDB file     : parm.pdb

# Atom 1: HA GLN 1, Atom 2: HB2 GLN 1
 &rst iat=6, 8, r3=6.000000, r4=6.500000, r1=1.500000, r2=2.000000,
 rk2=32.000000, rk3=32.000000, ir6=1, &end
# Atom 1: HA GLN 1, Atom 2: HB3 GLN 1
 &rst iat=6, 9, r3=4.400000, r4=4.900000, &end
# Atom 1: HA GLN 1, Atom 2: HG2 GLN 1
 &rst iat=6, 11, r3=3.900000, r4=4.400000, &end
# Atom 1: HA GLN 1, Atom 2: HG3 GLN 1
 &rst iat=6, 12, r3=3.800000, r4=4.300000, &end
# Atom 1: HA GLN 1, Atom 2: HN ASN 2
 &rst iat=6, 21, r3=4.600000, r4=5.100000, &end
# Atom 1: HB2 GLN 1, Atom 2: HG2 GLN 1
 &rst iat=8, 11, r3=3.200000, r4=3.700000, &end
# Atom 1: HB2 GLN 1, Atom 2: HG3 GLN 1
 &rst iat=8, 12, r3=2.800000, r4=3.300000, &end
# Atom 1: HB3 GLN 1, Atom 2: HG2 GLN 1
 &rst iat=9, 11, r3=2.800000, r4=3.300000, &end
# Atom 1: HB3 GLN 1, Atom 2: HG3 GLN 1
 &rst iat=9, 12, r3=4.900000, r4=5.400000, &end
# Atom 1: HB3 GLN 1, Atom 2: HN ASN 2
 &rst iat=9, 21, r3=6.000000, r4=6.500000, &end
# Atom 1: HG2 GLN 1, Atom 2: HN ASN 2
 &rst iat=11, 21, r3=4.600000, r4=5.100000, &end
# Atom 1: HG2 GLN 1, Atom 2: HND2 ASN 2
 &rst iat=11, 31, r3=5.700000, r4=6.200000, &end
# Atom 1: HG3 GLN 1, Atom 2: HN ASN 2
 &rst iat=12, 21, r3=5.200000, r4=5.700000, &end
# Atom 1: HN ASN 2, Atom 2: HA ASN 2
 &rst iat=21, 23, r3=4.300000, r4=4.800000, &end
# Atom 1: HN ASN 2, Atom 2: HB2 ASN 2
 &rst iat=21, 25, r3=5.200000, r4=5.700000, &end
# Atom 1: HN ASN 2, Atom 2: HB3 ASN 2
 &rst iat=21, 26, r3=5.500000, r4=6.000000, &end
# Atom 1: HN ASN 2, Atom 2: HND1 ASN 2
 &rst iat=21, 30, r3=5.500000, r4=6.000000, &end
# Atom 1: HN ASN 2, Atom 2: HN GLU 3
 &rst iat=21, 35, r3=3.100000, r4=3.600000, &end
# Atom 1: HA ASN 2, Atom 2: HB2 ASN 2
 &rst iat=23, 25, r3=4.600000, r4=5.100000, &end
# Atom 1: HA ASN 2, Atom 2: HB3 ASN 2
 &rst iat=23, 26, r3=5.400000, r4=5.900000, &end
# Atom 1: HA ASN 2, Atom 2: HND1 ASN 2
 &rst iat=23, 30, r3=6.000000, r4=6.500000, &end
# Atom 1: HA ASN 2, Atom 2: HN GLU 3
 &rst iat=23, 35, r3=4.200000, r4=4.700000, &end
# Atom 1: HB2 ASN 2, Atom 2: HND1 ASN 2
 &rst iat=25, 30, r3=3.700000, r4=4.200000, &end
# Atom 1: HB2 ASN 2, Atom 2: HND2 ASN 2
 &rst iat=25, 31, r3=5.000000, r4=5.500000, &end
# Atom 1: HB2 ASN 2, Atom 2: HN GLU 3
 &rst iat=25, 35, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 ASN 2, Atom 2: HND1 ASN 2
 &rst iat=26, 30, r3=4.100000, r4=4.600000, &end
# Atom 1: HB3 ASN 2, Atom 2: HND2 ASN 2
 &rst iat=26, 31, r3=5.200000, r4=5.700000, &end
# Atom 1: HB3 ASN 2, Atom 2: HN GLU 3
 &rst iat=26, 35, r3=4.900000, r4=5.400000, &end
# Atom 1: HND2 ASN 2, Atom 2: HG3 LYS 22
 &rst iat=31, 308, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLU 3, Atom 2: HA GLU 3
 &rst iat=35, 37, r3=3.800000, r4=4.300000, &end
# Atom 1: HN GLU 3, Atom 2: HB2 GLU 3
 &rst iat=35, 39, r3=3.900000, r4=4.400000, &end
# Atom 1: HN GLU 3, Atom 2: HB3 GLU 3
 &rst iat=35, 40, r3=4.000000, r4=4.500000, &end
# Atom 1: HN GLU 3, Atom 2: QG GLU 3
 &rst iat=35, -1, r3=5.000000, r4=5.500000, igr2=42, 43, &end
# Atom 1: HN GLU 3, Atom 2: HN GLY 4
 &rst iat=35, 50, r3=4.500000, r4=5.000000, &end
# Atom 1: HN GLU 3, Atom 2: HA2 GLY 4
 &rst iat=35, 52, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLU 3, Atom 2: QB SER 23
 &rst iat=35, -1, r3=7.000000, r4=7.500000, igr2=326, 327, &end
# Atom 1: HA GLU 3, Atom 2: HB2 GLU 3
 &rst iat=37, 39, r3=4.200000, r4=4.700000, &end
# Atom 1: HA GLU 3, Atom 2: HB3 GLU 3
 &rst iat=37, 40, r3=3.800000, r4=4.300000, &end
# Atom 1: HA GLU 3, Atom 2: QG GLU 3
 &rst iat=37, -1, r3=4.000000, r4=4.500000, igr2=42, 43, &end
# Atom 1: HA GLU 3, Atom 2: HN GLY 4
 &rst iat=37, 50, r3=4.500000, r4=5.000000, &end
# Atom 1: HA GLU 3, Atom 2: HA2 GLY 4
 &rst iat=37, 52, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLU 3, Atom 2: HA3 GLY 4
 &rst iat=37, 53, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 GLU 3, Atom 2: QG GLU 3
 &rst iat=39, -1, r3=4.400000, r4=4.900000, igr2=42, 43, &end
# Atom 1: HB2 GLU 3, Atom 2: HN GLY 4
 &rst iat=39, 50, r3=5.200000, r4=5.700000, &end
# Atom 1: HB3 GLU 3, Atom 2: QG GLU 3
 &rst iat=40, -1, r3=4.500000, r4=5.000000, igr2=42, 43, &end
# Atom 1: HB3 GLU 3, Atom 2: HN GLY 4
 &rst iat=40, 50, r3=4.300000, r4=4.800000, &end
# Atom 1: HB3 GLU 3, Atom 2: HA2 GLY 4
 &rst iat=40, 52, r3=6.000000, r4=6.500000, &end
# Atom 1: QG GLU 3, Atom 2: HN GLY 4
 &rst iat=-1, 50, r3=6.300000, r4=6.800000, igr1=42, 43, &end
# Atom 1: HN GLY 4, Atom 2: HA2 GLY 4
 &rst iat=50, 52, r3=3.800000, r4=4.300000, &end
# Atom 1: HN GLY 4, Atom 2: HA3 GLY 4
 &rst iat=50, 53, r3=3.500000, r4=4.000000, &end
# Atom 1: HN GLY 4, Atom 2: HN HID 5
 &rst iat=50, 57, r3=4.400000, r4=4.900000, &end
# Atom 1: HN GLY 4, Atom 2: HA HID 5
 &rst iat=50, 59, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLY 4, Atom 2: QB HID 5
 &rst iat=50, -1, r3=7.000000, r4=7.500000, igr2=61, 62, &end
# Atom 1: HN GLY 4, Atom 2: HA SER 23
 &rst iat=50, 324, r3=3.600000, r4=4.100000, &end
# Atom 1: HN GLY 4, Atom 2: QB SER 23
 &rst iat=50, -1, r3=7.000000, r4=7.500000, igr2=326, 327, &end
# Atom 1: HA2 GLY 4, Atom 2: HN HID 5
 &rst iat=52, 57, r3=3.600000, r4=4.100000, &end
# Atom 1: HA2 GLY 4, Atom 2: QB HID 5
 &rst iat=52, -1, r3=7.000000, r4=7.500000, igr2=61, 62, &end
# Atom 1: HA2 GLY 4, Atom 2: HND HID 5
 &rst iat=52, 65, r3=5.800000, r4=6.300000, &end
# Atom 1: HA2 GLY 4, Atom 2: HA SER 23
 &rst iat=52, 324, r3=4.100000, r4=4.600000, &end
# Atom 1: HA2 GLY 4, Atom 2: HN CYS 24
 &rst iat=52, 333, r3=5.900000, r4=6.400000, &end
# Atom 1: HA2 GLY 4, Atom 2: HA SER 25
 &rst iat=52, 347, r3=6.000000, r4=6.500000, &end
# Atom 1: HA3 GLY 4, Atom 2: HN HID 5
 &rst iat=53, 57, r3=3.400000, r4=3.900000, &end
# Atom 1: HA3 GLY 4, Atom 2: HND HID 5
 &rst iat=53, 65, r3=4.700000, r4=5.200000, &end
# Atom 1: HA3 GLY 4, Atom 2: HE HID 5
 &rst iat=53, 67, r3=6.000000, r4=6.500000, &end
# Atom 1: HA3 GLY 4, Atom 2: HA SER 23
 &rst iat=53, 324, r3=3.100000, r4=3.600000, &end
# Atom 1: HA3 GLY 4, Atom 2: HN CYS 24
 &rst iat=53, 333, r3=4.800000, r4=5.300000, &end
# Atom 1: HA3 GLY 4, Atom 2: HA CYS 24
 &rst iat=53, 335, r3=6.000000, r4=6.500000, &end
# Atom 1: HN HID 5, Atom 2: HA HID 5
 &rst iat=57, 59, r3=3.700000, r4=4.200000, &end
# Atom 1: HN HID 5, Atom 2: QB HID 5
 &rst iat=57, -1, r3=5.300000, r4=5.800000, igr2=61, 62, &end
# Atom 1: HN HID 5, Atom 2: HND HID 5
 &rst iat=57, 65, r3=3.900000, r4=4.400000, &end
# Atom 1: HN HID 5, Atom 2: HE HID 5
 &rst iat=57, 67, r3=4.800000, r4=5.300000, &end
# Atom 1: HN HID 5, Atom 2: HN GLU 6
 &rst iat=57, 74, r3=4.500000, r4=5.000000, &end
# Atom 1: HN HID 5, Atom 2: QB GLU 6
 &rst iat=57, -1, r3=7.000000, r4=7.500000, igr2=78, 79, &end
# Atom 1: HN HID 5, Atom 2: HN CYS 7
 &rst iat=57, 89, r3=4.800000, r4=5.300000, &end
# Atom 1: HN HID 5, Atom 2: HN SER 23
 &rst iat=57, 322, r3=6.000000, r4=6.500000, &end
# Atom 1: HN HID 5, Atom 2: HN CYS 24
 &rst iat=57, 333, r3=3.400000, r4=3.900000, &end
# Atom 1: HN HID 5, Atom 2: HB3 CYS 24
 &rst iat=57, 338, r3=5.100000, r4=5.600000, &end
# Atom 1: HA HID 5, Atom 2: QB HID 5
 &rst iat=59, -1, r3=4.700000, r4=5.200000, igr2=61, 62, &end
# Atom 1: HA HID 5, Atom 2: HND HID 5
 &rst iat=59, 65, r3=4.700000, r4=5.200000, &end
# Atom 1: HA HID 5, Atom 2: HN GLU 6
 &rst iat=59, 74, r3=3.800000, r4=4.300000, &end
# Atom 1: QB HID 5, Atom 2: HND HID 5
 &rst iat=-1, 65, r3=4.400000, r4=4.900000, igr1=61, 62, &end
# Atom 1: QB HID 5, Atom 2: HE HID 5
 &rst iat=-1, 67, r3=6.200000, r4=6.700000, igr1=61, 62, &end
# Atom 1: QB HID 5, Atom 2: HN GLU 6
 &rst iat=-1, 74, r3=4.700000, r4=5.200000, igr1=61, 62, &end
# Atom 1: QB HID 5, Atom 2: QB GLU 6
 &rst iat=-1, -1, r3=7.500000, r4=8.000000, 
 igr1=61, 62, igr2=78, 79, &end
# Atom 1: QB HID 5, Atom 2: HN CYS 7
 &rst iat=-1, 89, r3=7.000000, r4=7.500000, igr1=61, 62, &end
# Atom 1: QB HID 5, Atom 2: HN CYS 24
 &rst iat=-1, 333, r3=6.800000, r4=7.300000, igr1=61, 62, &end
# Atom 1: QB HID 5, Atom 2: HB3 CYS 24
 &rst iat=-1, 338, r3=6.700000, r4=7.200000, igr1=61, 62, &end
# Atom 1: HND HID 5, Atom 2: HE HID 5
 &rst iat=65, 67, r3=5.000000, r4=5.500000, &end
# Atom 1: HND HID 5, Atom 2: HN GLU 6
 &rst iat=65, 74, r3=5.600000, r4=6.100000, &end
# Atom 1: HND HID 5, Atom 2: HA GLU 6
 &rst iat=65, 76, r3=5.400000, r4=5.900000, &end
# Atom 1: HND HID 5, Atom 2: QB GLU 6
 &rst iat=65, -1, r3=7.000000, r4=7.500000, igr2=78, 79, &end
# Atom 1: HND HID 5, Atom 2: HA CYS 7
 &rst iat=65, 91, r3=4.800000, r4=5.300000, &end
# Atom 1: HND HID 5, Atom 2: HN GLN 8
 &rst iat=65, 101, r3=5.900000, r4=6.400000, &end
# Atom 1: HND HID 5, Atom 2: HB3 CYS 24
 &rst iat=65, 338, r3=6.000000, r4=6.500000, &end
# Atom 1: HND HID 5, Atom 2: HA SER 25
 &rst iat=65, 347, r3=5.100000, r4=5.600000, &end
# Atom 1: HND HID 5, Atom 2: HN CYS 26
 &rst iat=65, 356, r3=6.000000, r4=6.500000, &end
# Atom 1: HND HID 5, Atom 2: HB2 CYS 26
 &rst iat=65, 360, r3=6.000000, r4=6.500000, &end
# Atom 1: HE HID 5, Atom 2: HN GLU 6
 &rst iat=67, 74, r3=5.400000, r4=5.900000, &end
# Atom 1: HE HID 5, Atom 2: HN CYS 7
 &rst iat=67, 89, r3=6.000000, r4=6.500000, &end
# Atom 1: HE HID 5, Atom 2: HA CYS 7
 &rst iat=67, 91, r3=4.800000, r4=5.300000, &end
# Atom 1: HE HID 5, Atom 2: HB2 CYS 7
 &rst iat=67, 93, r3=4.600000, r4=5.100000, &end
# Atom 1: HE HID 5, Atom 2: HN GLN 8
 &rst iat=67, 101, r3=5.700000, r4=6.200000, &end
# Atom 1: HE HID 5, Atom 2: HA CYS 24
 &rst iat=67, 335, r3=6.000000, r4=6.500000, &end
# Atom 1: HE HID 5, Atom 2: HB2 CYS 24
 &rst iat=67, 337, r3=5.600000, r4=6.100000, &end
# Atom 1: HE HID 5, Atom 2: HB3 CYS 24
 &rst iat=67, 338, r3=4.400000, r4=4.900000, &end
# Atom 1: HE HID 5, Atom 2: HN SER 25
 &rst iat=67, 345, r3=4.800000, r4=5.300000, &end
# Atom 1: HE HID 5, Atom 2: HA SER 25
 &rst iat=67, 347, r3=5.500000, r4=6.000000, &end
# Atom 1: HE HID 5, Atom 2: HN CYS 26
 &rst iat=67, 356, r3=4.600000, r4=5.100000, &end
# Atom 1: HE HID 5, Atom 2: HA CYS 26
 &rst iat=67, 358, r3=6.000000, r4=6.500000, &end
# Atom 1: HE HID 5, Atom 2: HB2 CYS 26
 &rst iat=67, 360, r3=4.300000, r4=4.800000, &end
# Atom 1: HE HID 5, Atom 2: HB3 CYS 26
 &rst iat=67, 361, r3=6.000000, r4=6.500000, &end
# Atom 1: HE HID 5, Atom 2: HA PRO 27
 &rst iat=67, 378, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLU 6, Atom 2: HA GLU 6
 &rst iat=74, 76, r3=3.600000, r4=4.100000, &end
# Atom 1: HN GLU 6, Atom 2: QB GLU 6
 &rst iat=74, -1, r3=4.200000, r4=4.700000, igr2=78, 79, &end
# Atom 1: HN GLU 6, Atom 2: HG2 GLU 6
 &rst iat=74, 81, r3=3.500000, r4=4.000000, &end
# Atom 1: HN GLU 6, Atom 2: HG3 GLU 6
 &rst iat=74, 82, r3=3.800000, r4=4.300000, &end
# Atom 1: HN GLU 6, Atom 2: HN CYS 7
 &rst iat=74, 89, r3=4.200000, r4=4.700000, &end
# Atom 1: HN GLU 6, Atom 2: HA LYS 22
 &rst iat=74, 302, r3=5.300000, r4=5.800000, &end
# Atom 1: HA GLU 6, Atom 2: QB GLU 6
 &rst iat=76, -1, r3=4.800000, r4=5.300000, igr2=78, 79, &end
# Atom 1: HA GLU 6, Atom 2: HG2 GLU 6
 &rst iat=76, 81, r3=3.500000, r4=4.000000, &end
# Atom 1: HA GLU 6, Atom 2: HG3 GLU 6
 &rst iat=76, 82, r3=3.800000, r4=4.300000, &end
# Atom 1: HA GLU 6, Atom 2: HN CYS 7
 &rst iat=76, 89, r3=3.300000, r4=3.800000, &end
# Atom 1: HA GLU 6, Atom 2: HB2 CYS 7
 &rst iat=76, 93, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLU 6, Atom 2: HN GLN 8
 &rst iat=76, 101, r3=5.100000, r4=5.600000, &end
# Atom 1: HA GLU 6, Atom 2: HNE1 GLN 8
 &rst iat=76, 113, r3=5.000000, r4=5.500000, &end
# Atom 1: HA GLU 6, Atom 2: HA LYS 22
 &rst iat=76, 302, r3=3.600000, r4=4.100000, &end
# Atom 1: QB GLU 6, Atom 2: HG2 GLU 6
 &rst iat=-1, 81, r3=4.000000, r4=4.500000, igr1=78, 79, &end
# Atom 1: QB GLU 6, Atom 2: HG3 GLU 6
 &rst iat=-1, 82, r3=3.900000, r4=4.400000, igr1=78, 79, &end
# Atom 1: QB GLU 6, Atom 2: HN CYS 7
 &rst iat=-1, 89, r3=5.100000, r4=5.600000, igr1=78, 79, &end
# Atom 1: QB GLU 6, Atom 2: HNE1 GLN 8
 &rst iat=-1, 113, r3=5.300000, r4=5.800000, igr1=78, 79, &end
# Atom 1: QB GLU 6, Atom 2: HNE2 GLN 8
 &rst iat=-1, 114, r3=6.100000, r4=6.600000, igr1=78, 79, &end
# Atom 1: HG2 GLU 6, Atom 2: HN CYS 7
 &rst iat=81, 89, r3=4.400000, r4=4.900000, &end
# Atom 1: HG2 GLU 6, Atom 2: HNE1 GLN 8
 &rst iat=81, 113, r3=4.900000, r4=5.400000, &end
# Atom 1: HG2 GLU 6, Atom 2: HNE2 GLN 8
 &rst iat=81, 114, r3=6.000000, r4=6.500000, &end
# Atom 1: HG2 GLU 6, Atom 2: HA LYS 22
 &rst iat=81, 302, r3=5.300000, r4=5.800000, &end
# Atom 1: HG3 GLU 6, Atom 2: HN CYS 7
 &rst iat=82, 89, r3=5.500000, r4=6.000000, &end
# Atom 1: HG3 GLU 6, Atom 2: HNE1 GLN 8
 &rst iat=82, 113, r3=5.500000, r4=6.000000, &end
# Atom 1: HG3 GLU 6, Atom 2: HNE2 GLN 8
 &rst iat=82, 114, r3=5.800000, r4=6.300000, &end
# Atom 1: HG3 GLU 6, Atom 2: HA LYS 22
 &rst iat=82, 302, r3=5.800000, r4=6.300000, &end
# Atom 1: HN CYS 7, Atom 2: HA CYS 7
 &rst iat=89, 91, r3=3.600000, r4=4.100000, &end
# Atom 1: HN CYS 7, Atom 2: HB2 CYS 7
 &rst iat=89, 93, r3=3.800000, r4=4.300000, &end
# Atom 1: HN CYS 7, Atom 2: HB3 CYS 7
 &rst iat=89, 94, r3=3.500000, r4=4.000000, &end
# Atom 1: HN CYS 7, Atom 2: HN GLN 8
 &rst iat=89, 101, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 7, Atom 2: HA GLN 8
 &rst iat=89, 103, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 7, Atom 2: HN CYS 9
 &rst iat=89, 118, r3=5.300000, r4=5.800000, &end
# Atom 1: HN CYS 7, Atom 2: HA GLN 21
 &rst iat=89, 285, r3=3.700000, r4=4.200000, &end
# Atom 1: HN CYS 7, Atom 2: HB2 GLN 21
 &rst iat=89, 287, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 7, Atom 2: HB3 GLN 21
 &rst iat=89, 288, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 7, Atom 2: HNE1 GLN 21
 &rst iat=89, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 7, Atom 2: HN LYS 22
 &rst iat=89, 300, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 7, Atom 2: HA LYS 22
 &rst iat=89, 302, r3=4.700000, r4=5.200000, &end
# Atom 1: HN CYS 7, Atom 2: HG2 LYS 22
 &rst iat=89, 307, r3=5.800000, r4=6.300000, &end
# Atom 1: HN CYS 7, Atom 2: HN SER 23
 &rst iat=89, 322, r3=5.300000, r4=5.800000, &end
# Atom 1: HN CYS 7, Atom 2: HN CYS 24
 &rst iat=89, 333, r3=4.500000, r4=5.000000, &end
# Atom 1: HN CYS 7, Atom 2: HB2 CYS 24
 &rst iat=89, 337, r3=4.600000, r4=5.100000, &end
# Atom 1: HN CYS 7, Atom 2: HB3 CYS 24
 &rst iat=89, 338, r3=4.800000, r4=5.300000, &end
# Atom 1: HA CYS 7, Atom 2: HB2 CYS 7
 &rst iat=91, 93, r3=4.000000, r4=4.500000, &end
# Atom 1: HA CYS 7, Atom 2: HB3 CYS 7
 &rst iat=91, 94, r3=4.300000, r4=4.800000, &end
# Atom 1: HA CYS 7, Atom 2: HN GLN 8
 &rst iat=91, 101, r3=3.500000, r4=4.000000, &end
# Atom 1: HA CYS 7, Atom 2: HA GLN 8
 &rst iat=91, 103, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 7, Atom 2: HB2 GLN 8
 &rst iat=91, 105, r3=5.900000, r4=6.400000, &end
# Atom 1: HA CYS 7, Atom 2: HN CYS 9
 &rst iat=91, 118, r3=3.600000, r4=4.100000, &end
# Atom 1: HA CYS 7, Atom 2: HA CYS 9
 &rst iat=91, 120, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 7, Atom 2: HA GLN 21
 &rst iat=91, 285, r3=5.000000, r4=5.500000, &end
# Atom 1: HA CYS 7, Atom 2: HB2 CYS 24
 &rst iat=91, 337, r3=4.700000, r4=5.200000, &end
# Atom 1: HA CYS 7, Atom 2: HB3 CYS 24
 &rst iat=91, 338, r3=4.000000, r4=4.500000, &end
# Atom 1: HA CYS 7, Atom 2: HB2 CYS 26
 &rst iat=91, 360, r3=4.600000, r4=5.100000, &end
# Atom 1: HB2 CYS 7, Atom 2: HN GLN 8
 &rst iat=93, 101, r3=5.500000, r4=6.000000, &end
# Atom 1: HB2 CYS 7, Atom 2: HN CYS 9
 &rst iat=93, 118, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 7, Atom 2: HN GLN 21
 &rst iat=93, 283, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 7, Atom 2: HA GLN 21
 &rst iat=93, 285, r3=3.400000, r4=3.900000, &end
# Atom 1: HB2 CYS 7, Atom 2: HNE1 GLN 21
 &rst iat=93, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 7, Atom 2: HNE2 GLN 21
 &rst iat=93, 296, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 7, Atom 2: HA LYS 22
 &rst iat=93, 302, r3=4.600000, r4=5.100000, &end
# Atom 1: HB2 CYS 7, Atom 2: HN CYS 24
 &rst iat=93, 333, r3=4.200000, r4=4.700000, &end
# Atom 1: HB2 CYS 7, Atom 2: HB2 CYS 24
 &rst iat=93, 337, r3=3.600000, r4=4.100000, &end
# Atom 1: HB2 CYS 7, Atom 2: HB3 CYS 24
 &rst iat=93, 338, r3=3.400000, r4=3.900000, &end
# Atom 1: HB3 CYS 7, Atom 2: HN GLN 8
 &rst iat=94, 101, r3=5.900000, r4=6.400000, &end
# Atom 1: HB3 CYS 7, Atom 2: HA GLN 8
 &rst iat=94, 103, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 7, Atom 2: HN CYS 9
 &rst iat=94, 118, r3=5.900000, r4=6.400000, &end
# Atom 1: HB3 CYS 7, Atom 2: HN GLN 21
 &rst iat=94, 283, r3=5.600000, r4=6.100000, &end
# Atom 1: HB3 CYS 7, Atom 2: HA GLN 21
 &rst iat=94, 285, r3=2.700000, r4=3.200000, &end
# Atom 1: HB3 CYS 7, Atom 2: HB2 GLN 21
 &rst iat=94, 287, r3=5.000000, r4=5.500000, &end
# Atom 1: HB3 CYS 7, Atom 2: HB3 GLN 21
 &rst iat=94, 288, r3=5.200000, r4=5.700000, &end
# Atom 1: HB3 CYS 7, Atom 2: HG2 GLN 21
 &rst iat=94, 290, r3=5.200000, r4=5.700000, &end
# Atom 1: HB3 CYS 7, Atom 2: HG3 GLN 21
 &rst iat=94, 291, r3=5.700000, r4=6.200000, &end
# Atom 1: HB3 CYS 7, Atom 2: HNE1 GLN 21
 &rst iat=94, 295, r3=5.900000, r4=6.400000, &end
# Atom 1: HB3 CYS 7, Atom 2: HNE2 GLN 21
 &rst iat=94, 296, r3=5.400000, r4=5.900000, &end
# Atom 1: HB3 CYS 7, Atom 2: HN CYS 24
 &rst iat=94, 333, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 7, Atom 2: HB2 CYS 24
 &rst iat=94, 337, r3=3.800000, r4=4.300000, &end
# Atom 1: HB3 CYS 7, Atom 2: HB3 CYS 24
 &rst iat=94, 338, r3=4.300000, r4=4.800000, &end
# Atom 1: HN GLN 8, Atom 2: HA GLN 8
 &rst iat=101, 103, r3=3.800000, r4=4.300000, &end
# Atom 1: HN GLN 8, Atom 2: HB2 GLN 8
 &rst iat=101, 105, r3=3.700000, r4=4.200000, &end
# Atom 1: HN GLN 8, Atom 2: HB3 GLN 8
 &rst iat=101, 106, r3=4.500000, r4=5.000000, &end
# Atom 1: HN GLN 8, Atom 2: QG GLN 8
 &rst iat=101, -1, r3=4.500000, r4=5.000000, igr2=108, 109, &end
# Atom 1: HN GLN 8, Atom 2: HNE1 GLN 8
 &rst iat=101, 113, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 8, Atom 2: HNE2 GLN 8
 &rst iat=101, 114, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 8, Atom 2: HN CYS 9
 &rst iat=101, 118, r3=3.500000, r4=4.000000, &end
# Atom 1: HN GLN 8, Atom 2: HA CYS 9
 &rst iat=101, 120, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 8, Atom 2: HB2 CYS 9
 &rst iat=101, 122, r3=5.300000, r4=5.800000, &end
# Atom 1: HN GLN 8, Atom 2: HA GLN 21
 &rst iat=101, 285, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 8, Atom 2: HA LYS 22
 &rst iat=101, 302, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLN 8, Atom 2: HB2 GLN 8
 &rst iat=103, 105, r3=4.300000, r4=4.800000, &end
# Atom 1: HA GLN 8, Atom 2: HB3 GLN 8
 &rst iat=103, 106, r3=4.100000, r4=4.600000, &end
# Atom 1: HA GLN 8, Atom 2: QG GLN 8
 &rst iat=103, -1, r3=4.200000, r4=4.700000, igr2=108, 109, &end
# Atom 1: HA GLN 8, Atom 2: HNE1 GLN 8
 &rst iat=103, 113, r3=5.200000, r4=5.700000, &end
# Atom 1: HA GLN 8, Atom 2: HNE2 GLN 8
 &rst iat=103, 114, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLN 8, Atom 2: HN CYS 9
 &rst iat=103, 118, r3=3.900000, r4=4.400000, &end
# Atom 1: HA GLN 8, Atom 2: HA CYS 9
 &rst iat=103, 120, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLN 8, Atom 2: HB3 GLN 21
 &rst iat=103, 288, r3=5.600000, r4=6.100000, &end
# Atom 1: HB2 GLN 8, Atom 2: QG GLN 8
 &rst iat=105, -1, r3=3.600000, r4=4.100000, igr2=108, 109, &end
# Atom 1: HB2 GLN 8, Atom 2: HNE1 GLN 8
 &rst iat=105, 113, r3=5.600000, r4=6.100000, &end
# Atom 1: HB2 GLN 8, Atom 2: HNE2 GLN 8
 &rst iat=105, 114, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 GLN 8, Atom 2: HN CYS 9
 &rst iat=105, 118, r3=5.000000, r4=5.500000, &end
# Atom 1: HB3 GLN 8, Atom 2: QG GLN 8
 &rst iat=106, -1, r3=3.600000, r4=4.100000, igr2=108, 109, &end
# Atom 1: HB3 GLN 8, Atom 2: HNE1 GLN 8
 &rst iat=106, 113, r3=5.300000, r4=5.800000, &end
# Atom 1: HB3 GLN 8, Atom 2: HNE2 GLN 8
 &rst iat=106, 114, r3=5.800000, r4=6.300000, &end
# Atom 1: HB3 GLN 8, Atom 2: HN CYS 9
 &rst iat=106, 118, r3=5.900000, r4=6.400000, &end
# Atom 1: QG GLN 8, Atom 2: HNE1 GLN 8
 &rst iat=-1, 113, r3=4.500000, r4=5.000000, igr1=108, 109, &end
# Atom 1: QG GLN 8, Atom 2: HNE2 GLN 8
 &rst iat=-1, 114, r3=5.400000, r4=5.900000, igr1=108, 109, &end
# Atom 1: QG GLN 8, Atom 2: HN CYS 9
 &rst iat=-1, 118, r3=6.100000, r4=6.600000, igr1=108, 109, &end
# Atom 1: HNE1 GLN 8, Atom 2: HNE1 GLN 21
 &rst iat=113, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HNE1 GLN 8, Atom 2: HNE2 GLN 21
 &rst iat=113, 296, r3=6.000000, r4=6.500000, &end
# Atom 1: HNE2 GLN 8, Atom 2: HNE2 GLN 21
 &rst iat=114, 296, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 9, Atom 2: HA CYS 9
 &rst iat=118, 120, r3=4.100000, r4=4.600000, &end
# Atom 1: HN CYS 9, Atom 2: HB2 CYS 9
 &rst iat=118, 122, r3=3.600000, r4=4.100000, &end
# Atom 1: HN CYS 9, Atom 2: HB3 CYS 9
 &rst iat=118, 123, r3=4.300000, r4=4.800000, &end
# Atom 1: HN CYS 9, Atom 2: HN GLN 10
 &rst iat=118, 130, r3=5.000000, r4=5.500000, &end
# Atom 1: HN CYS 9, Atom 2: HA GLN 10
 &rst iat=118, 132, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 9, Atom 2: HN CYS 11
 &rst iat=118, 147, r3=5.300000, r4=5.800000, &end
# Atom 1: HN CYS 9, Atom 2: HB2 CYS 11
 &rst iat=118, 151, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 9, Atom 2: HB2 CYS 14
 &rst iat=118, 181, r3=5.100000, r4=5.600000, &end
# Atom 1: HN CYS 9, Atom 2: HB3 CYS 14
 &rst iat=118, 182, r3=4.600000, r4=5.100000, &end
# Atom 1: HN CYS 9, Atom 2: HA GLN 21
 &rst iat=118, 285, r3=5.500000, r4=6.000000, &end
# Atom 1: HN CYS 9, Atom 2: HNE1 GLN 21
 &rst iat=118, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 9, Atom 2: HB2 CYS 24
 &rst iat=118, 337, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 9, Atom 2: HB2 CYS 9
 &rst iat=120, 122, r3=4.400000, r4=4.900000, &end
# Atom 1: HA CYS 9, Atom 2: HB3 CYS 9
 &rst iat=120, 123, r3=3.900000, r4=4.400000, &end
# Atom 1: HA CYS 9, Atom 2: HN GLN 10
 &rst iat=120, 130, r3=3.300000, r4=3.800000, &end
# Atom 1: HA CYS 9, Atom 2: HA GLN 10
 &rst iat=120, 132, r3=5.900000, r4=6.400000, &end
# Atom 1: HA CYS 9, Atom 2: HB2 GLN 10
 &rst iat=120, 134, r3=5.700000, r4=6.200000, &end
# Atom 1: HA CYS 9, Atom 2: HB3 GLN 10
 &rst iat=120, 135, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 9, Atom 2: HG2 GLN 10
 &rst iat=120, 137, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 9, Atom 2: HG3 GLN 10
 &rst iat=120, 138, r3=5.500000, r4=6.000000, &end
# Atom 1: HA CYS 9, Atom 2: HN CYS 11
 &rst iat=120, 147, r3=4.000000, r4=4.500000, &end
# Atom 1: HA CYS 9, Atom 2: HB2 CYS 14
 &rst iat=120, 181, r3=5.100000, r4=5.600000, &end
# Atom 1: HA CYS 9, Atom 2: HB3 CYS 14
 &rst iat=120, 182, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 9, Atom 2: HN CYS 30
 &rst iat=120, 403, r3=4.700000, r4=5.200000, &end
# Atom 1: HA CYS 9, Atom 2: HB2 CYS 30
 &rst iat=120, 407, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 9, Atom 2: HN GLN 10
 &rst iat=122, 130, r3=4.600000, r4=5.100000, &end
# Atom 1: HB2 CYS 9, Atom 2: HA GLN 10
 &rst iat=122, 132, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 9, Atom 2: HN CYS 11
 &rst iat=122, 147, r3=4.100000, r4=4.600000, &end
# Atom 1: HB2 CYS 9, Atom 2: HN CYS 14
 &rst iat=122, 177, r3=5.400000, r4=5.900000, &end
# Atom 1: HB2 CYS 9, Atom 2: HA CYS 14
 &rst iat=122, 179, r3=5.100000, r4=5.600000, &end
# Atom 1: HB2 CYS 9, Atom 2: HB2 CYS 14
 &rst iat=122, 181, r3=2.800000, r4=3.300000, &end
# Atom 1: HB2 CYS 9, Atom 2: HB3 CYS 14
 &rst iat=122, 182, r3=2.800000, r4=3.300000, &end
# Atom 1: HB2 CYS 9, Atom 2: HN LYS 15
 &rst iat=122, 189, r3=5.200000, r4=5.700000, &end
# Atom 1: HB2 CYS 9, Atom 2: HNE1 GLN 21
 &rst iat=122, 295, r3=4.900000, r4=5.400000, &end
# Atom 1: HB3 CYS 9, Atom 2: HN GLN 10
 &rst iat=123, 130, r3=4.100000, r4=4.600000, &end
# Atom 1: HB3 CYS 9, Atom 2: HA GLN 10
 &rst iat=123, 132, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 9, Atom 2: HN CYS 11
 &rst iat=123, 147, r3=3.300000, r4=3.800000, &end
# Atom 1: HB3 CYS 9, Atom 2: HB2 CYS 11
 &rst iat=123, 151, r3=4.900000, r4=5.400000, &end
# Atom 1: HB3 CYS 9, Atom 2: HB3 CYS 11
 &rst iat=123, 152, r3=5.700000, r4=6.200000, &end
# Atom 1: HB3 CYS 9, Atom 2: HN CYS 14
 &rst iat=123, 177, r3=4.700000, r4=5.200000, &end
# Atom 1: HB3 CYS 9, Atom 2: HA CYS 14
 &rst iat=123, 179, r3=5.400000, r4=5.900000, &end
# Atom 1: HB3 CYS 9, Atom 2: HB2 CYS 14
 &rst iat=123, 181, r3=3.400000, r4=3.900000, &end
# Atom 1: HB3 CYS 9, Atom 2: HB3 CYS 14
 &rst iat=123, 182, r3=3.700000, r4=4.200000, &end
# Atom 1: HB3 CYS 9, Atom 2: HN LYS 15
 &rst iat=123, 189, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 10, Atom 2: HA GLN 10
 &rst iat=130, 132, r3=4.000000, r4=4.500000, &end
# Atom 1: HN GLN 10, Atom 2: HB2 GLN 10
 &rst iat=130, 134, r3=3.600000, r4=4.100000, &end
# Atom 1: HN GLN 10, Atom 2: HB3 GLN 10
 &rst iat=130, 135, r3=4.500000, r4=5.000000, &end
# Atom 1: HN GLN 10, Atom 2: HG2 GLN 10
 &rst iat=130, 137, r3=3.400000, r4=3.900000, &end
# Atom 1: HN GLN 10, Atom 2: HG3 GLN 10
 &rst iat=130, 138, r3=3.700000, r4=4.200000, &end
# Atom 1: HN GLN 10, Atom 2: HNE1 GLN 10
 &rst iat=130, 142, r3=4.700000, r4=5.200000, &end
# Atom 1: HN GLN 10, Atom 2: HNE2 GLN 10
 &rst iat=130, 143, r3=5.900000, r4=6.400000, &end
# Atom 1: HN GLN 10, Atom 2: HN CYS 11
 &rst iat=130, 147, r3=3.500000, r4=4.000000, &end
# Atom 1: HN GLN 10, Atom 2: HA CYS 11
 &rst iat=130, 149, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 10, Atom 2: HB2 CYS 11
 &rst iat=130, 151, r3=5.300000, r4=5.800000, &end
# Atom 1: HN GLN 10, Atom 2: HB2 CYS 14
 &rst iat=130, 181, r3=5.400000, r4=5.900000, &end
# Atom 1: HN GLN 10, Atom 2: HB3 CYS 14
 &rst iat=130, 182, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 10, Atom 2: QE LYS 15
 &rst iat=130, -1, r3=5.800000, r4=6.300000, igr2=202, 203, &end
# Atom 1: HN GLN 10, Atom 2: HN ASN 31
 &rst iat=130, 415, r3=5.000000, r4=5.500000, &end
# Atom 1: HN GLN 10, Atom 2: HA ASN 31
 &rst iat=130, 417, r3=4.200000, r4=4.700000, &end
# Atom 1: HN GLN 10, Atom 2: HB2 ASN 31
 &rst iat=130, 419, r3=4.500000, r4=5.000000, &end
# Atom 1: HN GLN 10, Atom 2: HB3 ASN 31
 &rst iat=130, 420, r3=5.200000, r4=5.700000, &end
# Atom 1: HN GLN 10, Atom 2: HND2 ASN 31
 &rst iat=130, 425, r3=5.100000, r4=5.600000, &end
# Atom 1: HA GLN 10, Atom 2: HB2 GLN 10
 &rst iat=132, 134, r3=3.700000, r4=4.200000, &end
# Atom 1: HA GLN 10, Atom 2: HB3 GLN 10
 &rst iat=132, 135, r3=3.400000, r4=3.900000, &end
# Atom 1: HA GLN 10, Atom 2: HG2 GLN 10
 &rst iat=132, 137, r3=3.000000, r4=3.500000, &end
# Atom 1: HA GLN 10, Atom 2: HG3 GLN 10
 &rst iat=132, 138, r3=3.500000, r4=4.000000, &end
# Atom 1: HA GLN 10, Atom 2: HNE1 GLN 10
 &rst iat=132, 142, r3=4.700000, r4=5.200000, &end
# Atom 1: HA GLN 10, Atom 2: HNE2 GLN 10
 &rst iat=132, 143, r3=5.800000, r4=6.300000, &end
# Atom 1: HA GLN 10, Atom 2: HN CYS 11
 &rst iat=132, 147, r3=4.200000, r4=4.700000, &end
# Atom 1: HA GLN 10, Atom 2: HN LYS 15
 &rst iat=132, 189, r3=5.700000, r4=6.200000, &end
# Atom 1: HA GLN 10, Atom 2: HA LYS 15
 &rst iat=132, 191, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLN 10, Atom 2: HB2 LYS 15
 &rst iat=132, 193, r3=4.200000, r4=4.700000, &end
# Atom 1: HA GLN 10, Atom 2: HB3 LYS 15
 &rst iat=132, 194, r3=5.000000, r4=5.500000, &end
# Atom 1: HA GLN 10, Atom 2: QG LYS 15
 &rst iat=132, -1, r3=6.000000, r4=6.500000, igr2=196, 197, &end
# Atom 1: HA GLN 10, Atom 2: QE LYS 15
 &rst iat=132, -1, r3=5.800000, r4=6.300000, igr2=202, 203, &end
# Atom 1: HB2 GLN 10, Atom 2: HG2 GLN 10
 &rst iat=134, 137, r3=2.900000, r4=3.400000, &end
# Atom 1: HB2 GLN 10, Atom 2: HG3 GLN 10
 &rst iat=134, 138, r3=2.700000, r4=3.200000, &end
# Atom 1: HB2 GLN 10, Atom 2: HNE1 GLN 10
 &rst iat=134, 142, r3=4.900000, r4=5.400000, &end
# Atom 1: HB2 GLN 10, Atom 2: HNE2 GLN 10
 &rst iat=134, 143, r3=5.000000, r4=5.500000, &end
# Atom 1: HB2 GLN 10, Atom 2: HN CYS 11
 &rst iat=134, 147, r3=4.900000, r4=5.400000, &end
# Atom 1: HB2 GLN 10, Atom 2: HN ASN 31
 &rst iat=134, 415, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 GLN 10, Atom 2: HA ASN 31
 &rst iat=134, 417, r3=3.200000, r4=3.700000, &end
# Atom 1: HB2 GLN 10, Atom 2: HB2 ASN 31
 &rst iat=134, 419, r3=3.700000, r4=4.200000, &end
# Atom 1: HB2 GLN 10, Atom 2: HND1 ASN 31
 &rst iat=134, 424, r3=4.900000, r4=5.400000, &end
# Atom 1: HB2 GLN 10, Atom 2: HND2 ASN 31
 &rst iat=134, 425, r3=4.800000, r4=5.300000, &end
# Atom 1: HB3 GLN 10, Atom 2: HG2 GLN 10
 &rst iat=135, 137, r3=2.800000, r4=3.300000, &end
# Atom 1: HB3 GLN 10, Atom 2: HG3 GLN 10
 &rst iat=135, 138, r3=3.100000, r4=3.600000, &end
# Atom 1: HB3 GLN 10, Atom 2: HNE1 GLN 10
 &rst iat=135, 142, r3=5.000000, r4=5.500000, &end
# Atom 1: HB3 GLN 10, Atom 2: HNE2 GLN 10
 &rst iat=135, 143, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 GLN 10, Atom 2: HN CYS 11
 &rst iat=135, 147, r3=5.500000, r4=6.000000, &end
# Atom 1: HB3 GLN 10, Atom 2: QE LYS 15
 &rst iat=135, -1, r3=5.800000, r4=6.300000, igr2=202, 203, &end
# Atom 1: HG2 GLN 10, Atom 2: HNE1 GLN 10
 &rst iat=137, 142, r3=3.100000, r4=3.600000, &end
# Atom 1: HG2 GLN 10, Atom 2: HNE2 GLN 10
 &rst iat=137, 143, r3=4.000000, r4=4.500000, &end
# Atom 1: HG2 GLN 10, Atom 2: HN CYS 11
 &rst iat=137, 147, r3=6.000000, r4=6.500000, &end
# Atom 1: HG2 GLN 10, Atom 2: QE LYS 15
 &rst iat=137, -1, r3=5.900000, r4=6.400000, igr2=202, 203, &end
# Atom 1: HG2 GLN 10, Atom 2: HND2 ASN 31
 &rst iat=137, 425, r3=5.700000, r4=6.200000, &end
# Atom 1: HG3 GLN 10, Atom 2: HNE1 GLN 10
 &rst iat=138, 142, r3=3.600000, r4=4.100000, &end
# Atom 1: HG3 GLN 10, Atom 2: HNE2 GLN 10
 &rst iat=138, 143, r3=4.300000, r4=4.800000, &end
# Atom 1: HG3 GLN 10, Atom 2: HN CYS 11
 &rst iat=138, 147, r3=6.000000, r4=6.500000, &end
# Atom 1: HG3 GLN 10, Atom 2: HND2 ASN 31
 &rst iat=138, 425, r3=5.600000, r4=6.100000, &end
# Atom 1: HNE2 GLN 10, Atom 2: QE LYS 15
 &rst iat=143, -1, r3=7.000000, r4=7.500000, igr2=202, 203, &end
# Atom 1: HN CYS 11, Atom 2: HA CYS 11
 &rst iat=147, 149, r3=4.700000, r4=5.200000, &end
# Atom 1: HN CYS 11, Atom 2: HB2 CYS 11
 &rst iat=147, 151, r3=4.000000, r4=4.500000, &end
# Atom 1: HN CYS 11, Atom 2: HB3 CYS 11
 &rst iat=147, 152, r3=5.400000, r4=5.900000, &end
# Atom 1: HN CYS 11, Atom 2: HN GLY 12
 &rst iat=147, 159, r3=5.400000, r4=5.900000, &end
# Atom 1: HN CYS 11, Atom 2: HA2 GLY 12
 &rst iat=147, 161, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 11, Atom 2: HN SER 13
 &rst iat=147, 166, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 11, Atom 2: HN CYS 14
 &rst iat=147, 177, r3=5.200000, r4=5.700000, &end
# Atom 1: HN CYS 11, Atom 2: HA CYS 14
 &rst iat=147, 179, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 11, Atom 2: HB2 CYS 14
 &rst iat=147, 181, r3=4.600000, r4=5.100000, &end
# Atom 1: HN CYS 11, Atom 2: HB3 CYS 14
 &rst iat=147, 182, r3=5.500000, r4=6.000000, &end
# Atom 1: HN CYS 11, Atom 2: HN LYS 15
 &rst iat=147, 189, r3=5.700000, r4=6.200000, &end
# Atom 1: HN CYS 11, Atom 2: HA LYS 15
 &rst iat=147, 191, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 11, Atom 2: HB2 LYS 15
 &rst iat=147, 193, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 11, Atom 2: QG LYS 15
 &rst iat=147, -1, r3=6.700000, r4=7.200000, igr2=196, 197, &end
# Atom 1: HN CYS 11, Atom 2: QE LYS 15
 &rst iat=147, -1, r3=7.000000, r4=7.500000, igr2=202, 203, &end
# Atom 1: HN CYS 11, Atom 2: HA SER 32
 &rst iat=147, 431, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 11, Atom 2: HB2 CYS 11
 &rst iat=149, 151, r3=3.600000, r4=4.100000, &end
# Atom 1: HA CYS 11, Atom 2: HB3 CYS 11
 &rst iat=149, 152, r3=4.400000, r4=4.900000, &end
# Atom 1: HA CYS 11, Atom 2: HN GLY 12
 &rst iat=149, 159, r3=3.600000, r4=4.100000, &end
# Atom 1: HA CYS 11, Atom 2: HN SER 13
 &rst iat=149, 166, r3=5.300000, r4=5.800000, &end
# Atom 1: HA CYS 11, Atom 2: HB2 CYS 14
 &rst iat=149, 181, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 11, Atom 2: HN LYS 15
 &rst iat=149, 189, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 11, Atom 2: HB2 LYS 15
 &rst iat=149, 193, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 11, Atom 2: HA SER 32
 &rst iat=149, 431, r3=5.100000, r4=5.600000, &end
# Atom 1: HB2 CYS 11, Atom 2: HN GLY 12
 &rst iat=151, 159, r3=4.600000, r4=5.100000, &end
# Atom 1: HB2 CYS 11, Atom 2: HN SER 13
 &rst iat=151, 166, r3=4.800000, r4=5.300000, &end
# Atom 1: HB2 CYS 11, Atom 2: QB SER 13
 &rst iat=151, -1, r3=6.500000, r4=7.000000, igr2=170, 171, &end
# Atom 1: HB2 CYS 11, Atom 2: HN CYS 14
 &rst iat=151, 177, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 11, Atom 2: HB3 CYS 14
 &rst iat=151, 182, r3=4.100000, r4=4.600000, &end
# Atom 1: HB2 CYS 11, Atom 2: HN LYS 15
 &rst iat=151, 189, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 11, Atom 2: HN SER 32
 &rst iat=151, 429, r3=3.800000, r4=4.300000, &end
# Atom 1: HB2 CYS 11, Atom 2: HA SER 32
 &rst iat=151, 431, r3=5.800000, r4=6.300000, &end
# Atom 1: HB2 CYS 11, Atom 2: HN ASP 33
 &rst iat=151, 440, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 11, Atom 2: HA ASP 33
 &rst iat=151, 442, r3=5.600000, r4=6.100000, &end
# Atom 1: HB2 CYS 11, Atom 2: HB2 CYS 36
 &rst iat=151, 490, r3=4.600000, r4=5.100000, &end
# Atom 1: HB3 CYS 11, Atom 2: HN GLY 12
 &rst iat=152, 159, r3=4.100000, r4=4.600000, &end
# Atom 1: HB3 CYS 11, Atom 2: HN SER 13
 &rst iat=152, 166, r3=3.800000, r4=4.300000, &end
# Atom 1: HB3 CYS 11, Atom 2: HN CYS 14
 &rst iat=152, 177, r3=5.000000, r4=5.500000, &end
# Atom 1: HB3 CYS 11, Atom 2: HA CYS 14
 &rst iat=152, 179, r3=4.700000, r4=5.200000, &end
# Atom 1: HB3 CYS 11, Atom 2: HB2 CYS 14
 &rst iat=152, 181, r3=3.800000, r4=4.300000, &end
# Atom 1: HB3 CYS 11, Atom 2: HN LYS 15
 &rst iat=152, 189, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 11, Atom 2: HA ASP 33
 &rst iat=152, 442, r3=4.300000, r4=4.800000, &end
# Atom 1: HB3 CYS 11, Atom 2: HB3 ASP 33
 &rst iat=152, 445, r3=5.500000, r4=6.000000, &end
# Atom 1: HB3 CYS 11, Atom 2: HB2 CYS 36
 &rst iat=152, 490, r3=5.700000, r4=6.200000, &end
# Atom 1: HN GLY 12, Atom 2: HA2 GLY 12
 &rst iat=159, 161, r3=3.700000, r4=4.200000, &end
# Atom 1: HN GLY 12, Atom 2: HA3 GLY 12
 &rst iat=159, 162, r3=3.300000, r4=3.800000, &end
# Atom 1: HN GLY 12, Atom 2: HN SER 13
 &rst iat=159, 166, r3=4.000000, r4=4.500000, &end
# Atom 1: HN GLY 12, Atom 2: QB SER 13
 &rst iat=159, -1, r3=7.000000, r4=7.500000, igr2=170, 171, &end
# Atom 1: HN GLY 12, Atom 2: HN CYS 14
 &rst iat=159, 177, r3=5.800000, r4=6.300000, &end
# Atom 1: HN GLY 12, Atom 2: HN LYS 15
 &rst iat=159, 189, r3=5.400000, r4=5.900000, &end
# Atom 1: HN GLY 12, Atom 2: HB2 LYS 15
 &rst iat=159, 193, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLY 12, Atom 2: HB3 LYS 15
 &rst iat=159, 194, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLY 12, Atom 2: QG LYS 15
 &rst iat=159, -1, r3=7.000000, r4=7.500000, igr2=196, 197, &end
# Atom 1: HN GLY 12, Atom 2: HB3 ASP 33
 &rst iat=159, 445, r3=6.000000, r4=6.500000, &end
# Atom 1: HA2 GLY 12, Atom 2: HN SER 13
 &rst iat=161, 166, r3=4.800000, r4=5.300000, &end
# Atom 1: HA2 GLY 12, Atom 2: HN CYS 14
 &rst iat=161, 177, r3=4.500000, r4=5.000000, &end
# Atom 1: HA2 GLY 12, Atom 2: HN LYS 15
 &rst iat=161, 189, r3=4.600000, r4=5.100000, &end
# Atom 1: HA2 GLY 12, Atom 2: HB2 LYS 15
 &rst iat=161, 193, r3=4.600000, r4=5.100000, &end
# Atom 1: HA2 GLY 12, Atom 2: HB3 LYS 15
 &rst iat=161, 194, r3=6.000000, r4=6.500000, &end
# Atom 1: HA2 GLY 12, Atom 2: QG LYS 15
 &rst iat=161, -1, r3=6.100000, r4=6.600000, igr2=196, 197, &end
# Atom 1: HA2 GLY 12, Atom 2: QE LYS 15
 &rst iat=161, -1, r3=7.000000, r4=7.500000, igr2=202, 203, &end
# Atom 1: HA3 GLY 12, Atom 2: HN SER 13
 &rst iat=162, 166, r3=4.400000, r4=4.900000, &end
# Atom 1: HA3 GLY 12, Atom 2: HN LYS 15
 &rst iat=162, 189, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 13, Atom 2: HA SER 13
 &rst iat=166, 168, r3=4.200000, r4=4.700000, &end
# Atom 1: HN SER 13, Atom 2: QB SER 13
 &rst iat=166, -1, r3=4.800000, r4=5.300000, igr2=170, 171, &end
# Atom 1: HN SER 13, Atom 2: HN CYS 14
 &rst iat=166, 177, r3=4.000000, r4=4.500000, &end
# Atom 1: HN SER 13, Atom 2: HB2 CYS 14
 &rst iat=166, 181, r3=5.800000, r4=6.300000, &end
# Atom 1: HN SER 13, Atom 2: HB3 CYS 14
 &rst iat=166, 182, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 13, Atom 2: HN LYS 15
 &rst iat=166, 189, r3=5.200000, r4=5.700000, &end
# Atom 1: HN SER 13, Atom 2: HB2 LYS 15
 &rst iat=166, 193, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 13, Atom 2: HA ASP 33
 &rst iat=166, 442, r3=5.700000, r4=6.200000, &end
# Atom 1: HN SER 13, Atom 2: HB2 ASP 33
 &rst iat=166, 444, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 13, Atom 2: HB3 ASP 33
 &rst iat=166, 445, r3=5.900000, r4=6.400000, &end
# Atom 1: HA SER 13, Atom 2: QB SER 13
 &rst iat=168, -1, r3=4.500000, r4=5.000000, igr2=170, 171, &end
# Atom 1: HA SER 13, Atom 2: HN CYS 14
 &rst iat=168, 177, r3=4.800000, r4=5.300000, &end
# Atom 1: HA SER 13, Atom 2: HND1 ASN 16
 &rst iat=168, 220, r3=4.700000, r4=5.200000, &end
# Atom 1: QB SER 13, Atom 2: HN CYS 14
 &rst iat=-1, 177, r3=6.100000, r4=6.600000, igr1=170, 171, &end
# Atom 1: QB SER 13, Atom 2: HB3 ASP 33
 &rst iat=-1, 445, r3=7.000000, r4=7.500000, igr1=170, 171, &end
# Atom 1: QB SER 13, Atom 2: HB3 CYS 38
 &rst iat=-1, 517, r3=6.800000, r4=7.300000, igr1=170, 171, &end
# Atom 1: QB SER 13, Atom 2: HN ASN 40
 &rst iat=-1, 531, r3=7.000000, r4=7.500000, igr1=170, 171, &end
# Atom 1: HN CYS 14, Atom 2: HA CYS 14
 &rst iat=177, 179, r3=3.900000, r4=4.400000, &end
# Atom 1: HN CYS 14, Atom 2: HB2 CYS 14
 &rst iat=177, 181, r3=3.600000, r4=4.100000, &end
# Atom 1: HN CYS 14, Atom 2: HB3 CYS 14
 &rst iat=177, 182, r3=4.400000, r4=4.900000, &end
# Atom 1: HN CYS 14, Atom 2: HN LYS 15
 &rst iat=177, 189, r3=3.400000, r4=3.900000, &end
# Atom 1: HN CYS 14, Atom 2: HA LYS 15
 &rst iat=177, 191, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 14, Atom 2: HB2 LYS 15
 &rst iat=177, 193, r3=5.200000, r4=5.700000, &end
# Atom 1: HN CYS 14, Atom 2: HB3 LYS 15
 &rst iat=177, 194, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 14, Atom 2: QG LYS 15
 &rst iat=177, -1, r3=7.000000, r4=7.500000, igr2=196, 197, &end
# Atom 1: HN CYS 14, Atom 2: HN ASN 17
 &rst iat=177, 225, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 14, Atom 2: HB2 CYS 14
 &rst iat=179, 181, r3=4.800000, r4=5.300000, &end
# Atom 1: HA CYS 14, Atom 2: HB3 CYS 14
 &rst iat=179, 182, r3=3.900000, r4=4.400000, &end
# Atom 1: HA CYS 14, Atom 2: HN LYS 15
 &rst iat=179, 189, r3=4.900000, r4=5.400000, &end
# Atom 1: HA CYS 14, Atom 2: HA LYS 15
 &rst iat=179, 191, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 14, Atom 2: HN ASN 17
 &rst iat=179, 225, r3=5.300000, r4=5.800000, &end
# Atom 1: HA CYS 14, Atom 2: HND1 ASN 17
 &rst iat=179, 234, r3=3.600000, r4=4.100000, &end
# Atom 1: HA CYS 14, Atom 2: HND2 ASN 17
 &rst iat=179, 235, r3=3.600000, r4=4.100000, &end
# Atom 1: HA CYS 14, Atom 2: HN CYS 20
 &rst iat=179, 271, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 14, Atom 2: HNE1 GLN 21
 &rst iat=179, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 14, Atom 2: HB2 CYS 38
 &rst iat=179, 516, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 14, Atom 2: HN LYS 15
 &rst iat=181, 189, r3=4.500000, r4=5.000000, &end
# Atom 1: HB2 CYS 14, Atom 2: HB2 LYS 15
 &rst iat=181, 193, r3=4.800000, r4=5.300000, &end
# Atom 1: HB2 CYS 14, Atom 2: HB3 LYS 15
 &rst iat=181, 194, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 14, Atom 2: QG LYS 15
 &rst iat=181, -1, r3=6.000000, r4=6.500000, igr2=196, 197, &end
# Atom 1: HB2 CYS 14, Atom 2: HND1 ASN 17
 &rst iat=181, 234, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 14, Atom 2: HN LYS 15
 &rst iat=182, 189, r3=5.000000, r4=5.500000, &end
# Atom 1: HB3 CYS 14, Atom 2: HB2 LYS 15
 &rst iat=182, 193, r3=5.500000, r4=6.000000, &end
# Atom 1: HB3 CYS 14, Atom 2: HNE1 GLN 21
 &rst iat=182, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HN LYS 15, Atom 2: HA LYS 15
 &rst iat=189, 191, r3=3.800000, r4=4.300000, &end
# Atom 1: HN LYS 15, Atom 2: HB2 LYS 15
 &rst iat=189, 193, r3=3.300000, r4=3.800000, &end
# Atom 1: HN LYS 15, Atom 2: HB3 LYS 15
 &rst iat=189, 194, r3=4.300000, r4=4.800000, &end
# Atom 1: HN LYS 15, Atom 2: QG LYS 15
 &rst iat=189, -1, r3=4.300000, r4=4.800000, igr2=196, 197, &end
# Atom 1: HN LYS 15, Atom 2: QE LYS 15
 &rst iat=189, -1, r3=6.500000, r4=7.000000, igr2=202, 203, &end
# Atom 1: HN LYS 15, Atom 2: HN ASN 17
 &rst iat=189, 225, r3=5.600000, r4=6.100000, &end
# Atom 1: HA LYS 15, Atom 2: HB2 LYS 15
 &rst iat=191, 193, r3=3.200000, r4=3.700000, &end
# Atom 1: HA LYS 15, Atom 2: HB3 LYS 15
 &rst iat=191, 194, r3=4.000000, r4=4.500000, &end
# Atom 1: HA LYS 15, Atom 2: QG LYS 15
 &rst iat=191, -1, r3=3.900000, r4=4.400000, igr2=196, 197, &end
# Atom 1: HA LYS 15, Atom 2: QE LYS 15
 &rst iat=191, -1, r3=6.000000, r4=6.500000, igr2=202, 203, &end
# Atom 1: HA LYS 15, Atom 2: HND1 ASN 16
 &rst iat=191, 220, r3=5.200000, r4=5.700000, &end
# Atom 1: HA LYS 15, Atom 2: HN ASN 17
 &rst iat=191, 225, r3=6.000000, r4=6.500000, &end
# Atom 1: HA LYS 15, Atom 2: HND2 ASN 17
 &rst iat=191, 235, r3=6.000000, r4=6.500000, &end
# Atom 1: HA LYS 15, Atom 2: HNE2 GLN 21
 &rst iat=191, 296, r3=4.300000, r4=4.800000, &end
# Atom 1: HB2 LYS 15, Atom 2: QG LYS 15
 &rst iat=193, -1, r3=4.200000, r4=4.700000, igr2=196, 197, &end
# Atom 1: HB2 LYS 15, Atom 2: QE LYS 15
 &rst iat=193, -1, r3=4.100000, r4=4.600000, igr2=202, 203, &end
# Atom 1: HB2 LYS 15, Atom 2: HND1 ASN 16
 &rst iat=193, 220, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 LYS 15, Atom 2: HND2 ASN 16
 &rst iat=193, 221, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 LYS 15, Atom 2: QG LYS 15
 &rst iat=194, -1, r3=3.800000, r4=4.300000, igr2=196, 197, &end
# Atom 1: HB3 LYS 15, Atom 2: QE LYS 15
 &rst iat=194, -1, r3=4.500000, r4=5.000000, igr2=202, 203, &end
# Atom 1: QG LYS 15, Atom 2: QE LYS 15
 &rst iat=-1, -1, r3=5.900000, r4=6.400000, 
 igr1=196, 197, igr2=202, 203, &end
# Atom 1: QG LYS 15, Atom 2: HND1 ASN 16
 &rst iat=-1, 220, r3=5.800000, r4=6.300000, igr1=196, 197, &end
# Atom 1: QG LYS 15, Atom 2: HND2 ASN 16
 &rst iat=-1, 221, r3=7.000000, r4=7.500000, igr1=196, 197, &end
# Atom 1: HA ASN 16, Atom 2: HB2 ASN 16
 &rst iat=213, 215, r3=6.000000, r4=6.500000, &end
# Atom 1: HA ASN 16, Atom 2: HB3 ASN 16
 &rst iat=213, 216, r3=5.900000, r4=6.400000, &end
# Atom 1: HA ASN 16, Atom 2: HND2 ASN 16
 &rst iat=213, 221, r3=6.000000, r4=6.500000, &end
# Atom 1: HA ASN 16, Atom 2: HN GLU 18
 &rst iat=213, 239, r3=5.800000, r4=6.300000, &end
# Atom 1: HB2 ASN 16, Atom 2: HND1 ASN 16
 &rst iat=215, 220, r3=3.400000, r4=3.900000, &end
# Atom 1: HB2 ASN 16, Atom 2: HND2 ASN 16
 &rst iat=215, 221, r3=4.300000, r4=4.800000, &end
# Atom 1: HB3 ASN 16, Atom 2: HND1 ASN 16
 &rst iat=216, 220, r3=3.100000, r4=3.600000, &end
# Atom 1: HB3 ASN 16, Atom 2: HND2 ASN 16
 &rst iat=216, 221, r3=4.100000, r4=4.600000, &end
# Atom 1: HND1 ASN 16, Atom 2: HN ASN 17
 &rst iat=220, 225, r3=3.800000, r4=4.300000, &end
# Atom 1: HND1 ASN 16, Atom 2: HND1 ASN 17
 &rst iat=220, 234, r3=4.800000, r4=5.300000, &end
# Atom 1: HND1 ASN 16, Atom 2: HND2 ASN 17
 &rst iat=220, 235, r3=4.300000, r4=4.800000, &end
# Atom 1: HND2 ASN 16, Atom 2: HN ASN 17
 &rst iat=221, 225, r3=4.400000, r4=4.900000, &end
# Atom 1: HND2 ASN 16, Atom 2: HND1 ASN 17
 &rst iat=221, 234, r3=3.900000, r4=4.400000, &end
# Atom 1: HND2 ASN 16, Atom 2: HND2 ASN 17
 &rst iat=221, 235, r3=3.400000, r4=3.900000, &end
# Atom 1: HND2 ASN 16, Atom 2: HB3 ASN 40
 &rst iat=221, 536, r3=5.700000, r4=6.200000, &end
# Atom 1: HN ASN 17, Atom 2: HA ASN 17
 &rst iat=225, 227, r3=5.500000, r4=6.000000, &end
# Atom 1: HN ASN 17, Atom 2: HB2 ASN 17
 &rst iat=225, 229, r3=5.400000, r4=5.900000, &end
# Atom 1: HN ASN 17, Atom 2: HB3 ASN 17
 &rst iat=225, 230, r3=4.700000, r4=5.200000, &end
# Atom 1: HN ASN 17, Atom 2: HND1 ASN 17
 &rst iat=225, 234, r3=4.100000, r4=4.600000, &end
# Atom 1: HN ASN 17, Atom 2: HND2 ASN 17
 &rst iat=225, 235, r3=5.200000, r4=5.700000, &end
# Atom 1: HN ASN 17, Atom 2: HN GLU 18
 &rst iat=225, 239, r3=6.000000, r4=6.500000, &end
# Atom 1: HN ASN 17, Atom 2: HG2 GLN 21
 &rst iat=225, 290, r3=6.000000, r4=6.500000, &end
# Atom 1: HN ASN 17, Atom 2: HNE1 GLN 21
 &rst iat=225, 295, r3=4.400000, r4=4.900000, &end
# Atom 1: HA ASN 17, Atom 2: HB2 ASN 17
 &rst iat=227, 229, r3=4.500000, r4=5.000000, &end
# Atom 1: HA ASN 17, Atom 2: HB3 ASN 17
 &rst iat=227, 230, r3=5.200000, r4=5.700000, &end
# Atom 1: HA ASN 17, Atom 2: HND1 ASN 17
 &rst iat=227, 234, r3=4.700000, r4=5.200000, &end
# Atom 1: HA ASN 17, Atom 2: HND2 ASN 17
 &rst iat=227, 235, r3=6.000000, r4=6.500000, &end
# Atom 1: HA ASN 17, Atom 2: HN GLU 18
 &rst iat=227, 239, r3=3.400000, r4=3.900000, &end
# Atom 1: HA ASN 17, Atom 2: QB GLU 18
 &rst iat=227, -1, r3=6.500000, r4=7.000000, igr2=243, 244, &end
# Atom 1: HA ASN 17, Atom 2: HN GLN 19
 &rst iat=227, 254, r3=5.900000, r4=6.400000, &end
# Atom 1: HA ASN 17, Atom 2: HN CYS 20
 &rst iat=227, 271, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 ASN 17, Atom 2: HND1 ASN 17
 &rst iat=229, 234, r3=3.600000, r4=4.100000, &end
# Atom 1: HB2 ASN 17, Atom 2: HND2 ASN 17
 &rst iat=229, 235, r3=4.300000, r4=4.800000, &end
# Atom 1: HB2 ASN 17, Atom 2: HN GLU 18
 &rst iat=229, 239, r3=5.200000, r4=5.700000, &end
# Atom 1: HB3 ASN 17, Atom 2: HND1 ASN 17
 &rst iat=230, 234, r3=3.300000, r4=3.800000, &end
# Atom 1: HB3 ASN 17, Atom 2: HND2 ASN 17
 &rst iat=230, 235, r3=4.200000, r4=4.700000, &end
# Atom 1: HB3 ASN 17, Atom 2: HN GLU 18
 &rst iat=230, 239, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 ASN 17, Atom 2: HN CYS 20
&rst iat=230, 271, r3=4.200000, r4=4.700000, &end
# Atom 1: HB3 ASN 17, Atom 2: HB3 CYS 20
 &rst iat=230, 271, r3=4.400000, r4=4.900000, &end
# Atom 1: HB3 ASN 17, Atom 2: HNE1 GLN 21
 &rst iat=230, 295, r3=5.500000, r4=6.000000, &end
# Atom 1: HND1 ASN 17, Atom 2: QB GLN 19
 &rst iat=234, -1, r3=5.900000, r4=6.400000, igr2=258, 259, &end
# Atom 1: HND1 ASN 17, Atom 2: HB2 CYS 20
 &rst iat=234, 275, r3=6.000000, r4=6.500000, &end
# Atom 1: HND1 ASN 17, Atom 2: HB3 CYS 20
 &rst iat=234, 276, r3=4.700000, r4=5.200000, &end
# Atom 1: HND1 ASN 17, Atom 2: HNE2 GLN 21
 &rst iat=234, 296, r3=5.500000, r4=6.000000, &end
# Atom 1: HND2 ASN 17, Atom 2: QB GLN 19
 &rst iat=235, -1, r3=5.400000, r4=5.900000, igr2=258, 259, &end
# Atom 1: HND2 ASN 17, Atom 2: HB2 CYS 20
 &rst iat=235, 275, r3=6.000000, r4=6.500000, &end
# Atom 1: HND2 ASN 17, Atom 2: HB3 CYS 20
 &rst iat=235, 276, r3=4.400000, r4=4.900000, &end
# Atom 1: HND2 ASN 17, Atom 2: HB2 GLN 21
 &rst iat=235, 287, r3=6.000000, r4=6.500000, &end
# Atom 1: HND2 ASN 17, Atom 2: HG3 GLN 21
 &rst iat=235, 291, r3=6.000000, r4=6.500000, &end
# Atom 1: HND2 ASN 17, Atom 2: HNE1 GLN 21
 &rst iat=235, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLU 18, Atom 2: HA GLU 18
 &rst iat=239, 241, r3=3.900000, r4=4.400000, &end
# Atom 1: HN GLU 18, Atom 2: QB GLU 18
 &rst iat=239, -1, r3=4.200000, r4=4.700000, igr2=243, 244, &end
# Atom 1: HN GLU 18, Atom 2: HG2 GLU 18
 &rst iat=239, 246, r3=4.000000, r4=4.500000, &end
# Atom 1: HN GLU 18, Atom 2: HG3 GLU 18
 &rst iat=239, 247, r3=3.300000, r4=3.800000, &end
# Atom 1: HN GLU 18, Atom 2: HN GLN 19
 &rst iat=239, 254, r3=4.000000, r4=4.500000, &end
# Atom 1: HN GLU 18, Atom 2: HA GLN 19
 &rst iat=239, 256, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLU 18, Atom 2: QB GLN 19
 &rst iat=239, -1, r3=7.000000, r4=7.500000, igr2=258, 259, &end
# Atom 1: HN GLU 18, Atom 2: QG GLN 19
 &rst iat=239, -1, r3=7.000000, r4=7.500000, igr2=261, 262, &end
# Atom 1: HN GLU 18, Atom 2: HN CYS 20
 &rst iat=239, 271, r3=5.400000, r4=5.900000, &end
# Atom 1: HN GLU 18, Atom 2: HN GLN 21
 &rst iat=239, 283, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLU 18, Atom 2: HG2 GLN 21
 &rst iat=239, 290, r3=5.600000, r4=6.100000, &end
# Atom 1: HN GLU 18, Atom 2: HG3 GLN 21
 &rst iat=239, 291, r3=5.800000, r4=6.300000, &end
# Atom 1: HN GLU 18, Atom 2: HNE1 GLN 21
 &rst iat=239, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLU 18, Atom 2: QB GLU 18
 &rst iat=241, -1, r3=4.500000, r4=5.000000, igr2=243, 244, &end
# Atom 1: HA GLU 18, Atom 2: HG2 GLU 18
 &rst iat=241, 246, r3=3.500000, r4=4.000000, &end
# Atom 1: HA GLU 18, Atom 2: HG3 GLU 18
 &rst iat=241, 247, r3=3.600000, r4=4.100000, &end
# Atom 1: HA GLU 18, Atom 2: HN GLN 19
 &rst iat=241, 254, r3=5.200000, r4=5.700000, &end
# Atom 1: HA GLU 18, Atom 2: HN CYS 20
 &rst iat=241, 271, r3=4.800000, r4=5.300000, &end
# Atom 1: HA GLU 18, Atom 2: HN GLN 21
 &rst iat=241, 283, r3=4.500000, r4=5.000000, &end
# Atom 1: HA GLU 18, Atom 2: HB2 GLN 21
 &rst iat=241, 287, r3=3.500000, r4=4.000000, &end
# Atom 1: HA GLU 18, Atom 2: HB3 GLN 21
 &rst iat=241, 288, r3=4.600000, r4=5.100000, &end
# Atom 1: HA GLU 18, Atom 2: HG2 GLN 21
 &rst iat=241, 290, r3=3.000000, r4=3.500000, &end
# Atom 1: HA GLU 18, Atom 2: HG3 GLN 21
 &rst iat=241, 291, r3=3.700000, r4=4.200000, &end
# Atom 1: HA GLU 18, Atom 2: HNE1 GLN 21
 &rst iat=241, 295, r3=4.200000, r4=4.700000, &end
# Atom 1: QB GLU 18, Atom 2: HG2 GLU 18
 &rst iat=-1, 246, r3=3.400000, r4=3.900000, igr1=243, 244, &end
# Atom 1: QB GLU 18, Atom 2: HG3 GLU 18
 &rst iat=-1, 247, r3=3.800000, r4=4.300000, igr1=243, 244, &end
# Atom 1: QB GLU 18, Atom 2: HN GLN 19
 &rst iat=-1, 254, r3=5.400000, r4=5.900000, igr1=243, 244, &end
# Atom 1: QB GLU 18, Atom 2: HNE1 GLN 19
 &rst iat=-1, 266, r3=7.000000, r4=7.500000, igr1=243, 244, &end
# Atom 1: QB GLU 18, Atom 2: HNE2 GLN 19
 &rst iat=-1, 267, r3=7.000000, r4=7.500000, igr1=243, 244, &end
# Atom 1: QB GLU 18, Atom 2: HN CYS 20
 &rst iat=-1, 271, r3=6.300000, r4=6.800000, igr1=243, 244, &end
# Atom 1: HG2 GLU 18, Atom 2: HN GLN 19
 &rst iat=246, 254, r3=6.000000, r4=6.500000, &end
# Atom 1: HG2 GLU 18, Atom 2: HG2 GLN 21
 &rst iat=246, 290, r3=4.100000, r4=4.600000, &end
# Atom 1: HG3 GLU 18, Atom 2: HN GLN 19
 &rst iat=247, 254, r3=5.700000, r4=6.200000, &end
# Atom 1: HG3 GLU 18, Atom 2: HG2 GLN 21
 &rst iat=247, 290, r3=4.300000, r4=4.800000, &end
# Atom 1: HG3 GLU 18, Atom 2: HNE1 GLN 21
 &rst iat=247, 295, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 19, Atom 2: HA GLN 19
 &rst iat=254, 256, r3=3.900000, r4=4.400000, &end
# Atom 1: HN GLN 19, Atom 2: QB GLN 19
 &rst iat=254, -1, r3=4.300000, r4=4.800000, igr2=258, 259, &end
# Atom 1: HN GLN 19, Atom 2: QG GLN 19
 &rst iat=254, -1, r3=4.400000, r4=4.900000, igr2=261, 262, &end
# Atom 1: HN GLN 19, Atom 2: HNE1 GLN 19
 &rst iat=254, 266, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 19, Atom 2: HN CYS 20
 &rst iat=254, 271, r3=3.500000, r4=4.000000, &end
# Atom 1: HN GLN 19, Atom 2: HA CYS 20
 &rst iat=254, 273, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 19, Atom 2: HB3 CYS 20
 &rst iat=254, 276, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLN 19, Atom 2: HN GLN 21
 &rst iat=254, 283, r3=5.200000, r4=5.700000, &end
# Atom 1: HA GLN 19, Atom 2: QB GLN 19
 &rst iat=256, -1, r3=4.900000, r4=5.400000, igr2=258, 259, &end
# Atom 1: HA GLN 19, Atom 2: QG GLN 19
 &rst iat=256, -1, r3=4.500000, r4=5.000000, igr2=261, 262, &end
# Atom 1: HA GLN 19, Atom 2: HNE1 GLN 19
 &rst iat=256, 266, r3=5.800000, r4=6.300000, &end
# Atom 1: HA GLN 19, Atom 2: HN CYS 20
 &rst iat=256, 271, r3=4.400000, r4=4.900000, &end
# Atom 1: HA GLN 19, Atom 2: HA CYS 20
 &rst iat=256, 273, r3=6.000000, r4=6.500000, &end
# Atom 1: QB GLN 19, Atom 2: QG GLN 19
 &rst iat=-1, -1, r3=5.300000, r4=5.800000, 
 igr1=258, 259, igr2=261, 262, &end
# Atom 1: QB GLN 19, Atom 2: HNE1 GLN 19
 &rst iat=-1, 266, r3=5.900000, r4=6.400000, igr1=258, 259, &end
# Atom 1: QB GLN 19, Atom 2: HNE2 GLN 19
 &rst iat=-1, 267, r3=7.000000, r4=7.500000, igr1=258, 259, &end
# Atom 1: QB GLN 19, Atom 2: HN CYS 20
 &rst iat=-1, 271, r3=5.500000, r4=6.000000, igr1=258, 259, &end
# Atom 1: QG GLN 19, Atom 2: HNE1 GLN 19
 &rst iat=-1, 266, r3=4.600000, r4=5.100000, igr1=261, 262, &end
# Atom 1: QG GLN 19, Atom 2: HNE2 GLN 19
 &rst iat=-1, 267, r3=5.700000, r4=6.200000, igr1=261, 262, &end
# Atom 1: QG GLN 19, Atom 2: HN CYS 20
 &rst iat=-1, 271, r3=5.700000, r4=6.200000, igr1=261, 262, &end
# Atom 1: HNE2 GLN 19, Atom 2: HN SER 23
 &rst iat=267, 322, r3=5.400000, r4=5.900000, &end
# Atom 1: HN CYS 20, Atom 2: HA CYS 20
 &rst iat=271, 273, r3=4.000000, r4=4.500000, &end
# Atom 1: HN CYS 20, Atom 2: HB2 CYS 20
 &rst iat=271, 275, r3=4.800000, r4=5.300000, &end
# Atom 1: HN CYS 20, Atom 2: HB3 CYS 20
 &rst iat=271, 276, r3=4.000000, r4=4.500000, &end
# Atom 1: HN CYS 20, Atom 2: HN GLN 21
 &rst iat=271, 283, r3=3.200000, r4=3.700000, &end
# Atom 1: HN CYS 20, Atom 2: HB2 GLN 21
 &rst iat=271, 287, r3=5.700000, r4=6.200000, &end
# Atom 1: HN CYS 20, Atom 2: HNE1 GLN 21
 &rst iat=271, 295, r3=4.500000, r4=5.000000, &end
# Atom 1: HN CYS 20, Atom 2: HN LYS 22
 &rst iat=271, 300, r3=5.200000, r4=5.700000, &end
# Atom 1: HN CYS 20, Atom 2: HN SER 23
 &rst iat=271, 322, r3=5.600000, r4=6.100000, &end
# Atom 1: HA CYS 20, Atom 2: HB2 CYS 20
 &rst iat=273, 275, r3=3.300000, r4=3.800000, &end
# Atom 1: HA CYS 20, Atom 2: HB3 CYS 20
 &rst iat=273, 276, r3=3.300000, r4=3.800000, &end
# Atom 1: HA CYS 20, Atom 2: HN GLN 21
 &rst iat=273, 283, r3=4.000000, r4=4.500000, &end
# Atom 1: HA CYS 20, Atom 2: HA GLN 21
 &rst iat=273, 285, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 20, Atom 2: HN LYS 22
 &rst iat=273, 300, r3=4.100000, r4=4.600000, &end
# Atom 1: HA CYS 20, Atom 2: HN SER 23
 &rst iat=273, 322, r3=4.200000, r4=4.700000, &end
# Atom 1: HA CYS 20, Atom 2: QB SER 23
 &rst iat=273, -1, r3=6.500000, r4=7.000000, igr2=326, 327, &end
# Atom 1: HA CYS 20, Atom 2: HA CYS 24
 &rst iat=273, 335, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 20, Atom 2: HB2 CYS 24
 &rst iat=273, 337, r3=5.900000, r4=6.400000, &end
# Atom 1: HA CYS 20, Atom 2: HB3 CYS 24
 &rst iat=273, 338, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 20, Atom 2: HB2 ASN 40
 &rst iat=273, 535, r3=4.600000, r4=5.100000, &end
# Atom 1: HA CYS 20, Atom 2: HB3 ASN 40
 &rst iat=273, 536, r3=4.700000, r4=5.200000, &end
# Atom 1: HA CYS 20, Atom 2: HND1 ASN 40
 &rst iat=273, 540, r3=5.200000, r4=5.700000, &end
# Atom 1: HB2 CYS 20, Atom 2: HN GLN 21
 &rst iat=275, 283, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 20, Atom 2: HN LYS 22
 &rst iat=275, 300, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 20, Atom 2: HN SER 23
 &rst iat=275, 322, r3=5.900000, r4=6.400000, &end
# Atom 1: HB2 CYS 20, Atom 2: QB SER 23
 &rst iat=275, -1, r3=5.600000, r4=6.100000, igr2=326, 327, &end
# Atom 1: HB2 CYS 20, Atom 2: HN CYS 24
 &rst iat=275, 333, r3=5.400000, r4=5.900000, &end
# Atom 1: HB2 CYS 20, Atom 2: HA CYS 24
 &rst iat=275, 335, r3=3.600000, r4=4.100000, &end
# Atom 1: HB2 CYS 20, Atom 2: HB2 CYS 24
 &rst iat=275, 337, r3=3.600000, r4=4.100000, &end
# Atom 1: HB2 CYS 20, Atom 2: HB3 CYS 24
 &rst iat=275, 338, r3=4.200000, r4=4.700000, &end
# Atom 1: HB2 CYS 20, Atom 2: HN SER 25
 &rst iat=275, 345, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 20, Atom 2: HN GLN 21
 &rst iat=276, 283, r3=4.300000, r4=4.800000, &end
# Atom 1: HB3 CYS 20, Atom 2: HN LYS 22
 &rst iat=276, 300, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 20, Atom 2: HN SER 23
 &rst iat=276, 322, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 20, Atom 2: QB SER 23
 &rst iat=276, -1, r3=7.000000, r4=7.500000, igr2=326, 327, &end
# Atom 1: HB3 CYS 20, Atom 2: HA CYS 24
 &rst iat=276, 335, r3=4.600000, r4=5.100000, &end
# Atom 1: HB3 CYS 20, Atom 2: HB2 CYS 24
 &rst iat=276, 337, r3=4.200000, r4=4.700000, &end
# Atom 1: HN GLN 21, Atom 2: HA GLN 21
 &rst iat=283, 285, r3=3.800000, r4=4.300000, &end
# Atom 1: HN GLN 21, Atom 2: HB2 GLN 21
 &rst iat=283, 287, r3=3.400000, r4=3.900000, &end
# Atom 1: HN GLN 21, Atom 2: HB3 GLN 21
 &rst iat=283, 288, r3=3.600000, r4=4.100000, &end
# Atom 1: HN GLN 21, Atom 2: HG2 GLN 21
 &rst iat=283, 290, r3=3.100000, r4=3.600000, &end
# Atom 1: HN GLN 21, Atom 2: HG3 GLN 21
 &rst iat=283, 291, r3=3.600000, r4=4.100000, &end
# Atom 1: HN GLN 21, Atom 2: HNE1 GLN 21
 &rst iat=283, 295, r3=4.000000, r4=4.500000, &end
# Atom 1: HN GLN 21, Atom 2: HNE2 GLN 21
 &rst iat=283, 296, r3=5.400000, r4=5.900000, &end
# Atom 1: HN GLN 21, Atom 2: HN LYS 22
 &rst iat=283, 300, r3=3.500000, r4=4.000000, &end
# Atom 1: HN GLN 21, Atom 2: HB2 LYS 22
 &rst iat=283, 304, r3=6.000000, r4=6.500000, &end
# Atom 1: HA GLN 21, Atom 2: HB2 GLN 21
 &rst iat=285, 287, r3=3.900000, r4=4.400000, &end
# Atom 1: HA GLN 21, Atom 2: HB3 GLN 21
 &rst iat=285, 288, r3=3.600000, r4=4.100000, &end
# Atom 1: HA GLN 21, Atom 2: HG2 GLN 21
 &rst iat=285, 290, r3=4.100000, r4=4.600000, &end
# Atom 1: HA GLN 21, Atom 2: HG3 GLN 21
 &rst iat=285, 291, r3=4.400000, r4=4.900000, &end
# Atom 1: HA GLN 21, Atom 2: HNE1 GLN 21
 &rst iat=285, 295, r3=4.300000, r4=4.800000, &end
# Atom 1: HA GLN 21, Atom 2: HNE2 GLN 21
 &rst iat=285, 296, r3=5.900000, r4=6.400000, &end
# Atom 1: HA GLN 21, Atom 2: HN LYS 22
 &rst iat=285, 300, r3=4.800000, r4=5.300000, &end
# Atom 1: HA GLN 21, Atom 2: HN SER 23
 &rst iat=285, 322, r3=4.500000, r4=5.000000, &end
# Atom 1: HA GLN 21, Atom 2: HN CYS 24
 &rst iat=285, 333, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 GLN 21, Atom 2: HG2 GLN 21
 &rst iat=287, 290, r3=2.800000, r4=3.300000, &end
# Atom 1: HB2 GLN 21, Atom 2: HG3 GLN 21
 &rst iat=287, 291, r3=2.900000, r4=3.400000, &end
# Atom 1: HB2 GLN 21, Atom 2: HNE1 GLN 21
 &rst iat=287, 295, r3=4.500000, r4=5.000000, &end
# Atom 1: HB2 GLN 21, Atom 2: HN LYS 22
 &rst iat=287, 300, r3=4.100000, r4=4.600000, &end
# Atom 1: HB3 GLN 21, Atom 2: HG2 GLN 21
 &rst iat=288, 290, r3=3.000000, r4=3.500000, &end
# Atom 1: HB3 GLN 21, Atom 2: HG3 GLN 21
 &rst iat=288, 291, r3=2.900000, r4=3.400000, &end
# Atom 1: HB3 GLN 21, Atom 2: HNE1 GLN 21
 &rst iat=288, 295, r3=4.800000, r4=5.300000, &end
# Atom 1: HB3 GLN 21, Atom 2: HN LYS 22
 &rst iat=288, 300, r3=4.300000, r4=4.800000, &end
# Atom 1: HB3 GLN 21, Atom 2: HG2 LYS 22
 &rst iat=288, 307, r3=4.300000, r4=4.800000, &end
# Atom 1: HB3 GLN 21, Atom 2: HG3 LYS 22
 &rst iat=288, 308, r3=4.700000, r4=5.200000, &end
# Atom 1: HG2 GLN 21, Atom 2: HNE1 GLN 21
 &rst iat=290, 295, r3=2.800000, r4=3.300000, &end
# Atom 1: HG2 GLN 21, Atom 2: HNE2 GLN 21
 &rst iat=290, 296, r3=4.000000, r4=4.500000, &end
# Atom 1: HG2 GLN 21, Atom 2: HN LYS 22
 &rst iat=290, 300, r3=5.700000, r4=6.200000, &end
# Atom 1: HG2 GLN 21, Atom 2: QE LYS 22
 &rst iat=290, -1, r3=5.700000, r4=6.200000, igr2=313, 314, &end
# Atom 1: HG3 GLN 21, Atom 2: HNE1 GLN 21
 &rst iat=291, 295, r3=3.300000, r4=3.800000, &end
# Atom 1: HG3 GLN 21, Atom 2: HNE2 GLN 21
 &rst iat=291, 296, r3=4.900000, r4=5.400000, &end
# Atom 1: HG3 GLN 21, Atom 2: HN LYS 22
 &rst iat=291, 300, r3=5.900000, r4=6.400000, &end
# Atom 1: HG3 GLN 21, Atom 2: HG2 LYS 22
 &rst iat=291, 307, r3=4.800000, r4=5.300000, &end
# Atom 1: HG3 GLN 21, Atom 2: QE LYS 22
 &rst iat=291, -1, r3=4.900000, r4=5.400000, igr2=313, 314, &end
# Atom 1: HNE2 GLN 21, Atom 2: HB2 CYS 24
 &rst iat=296, 337, r3=6.000000, r4=6.500000, &end
# Atom 1: HN LYS 22, Atom 2: HA LYS 22
 &rst iat=300, 302, r3=3.300000, r4=3.800000, &end
# Atom 1: HN LYS 22, Atom 2: HB2 LYS 22
 &rst iat=300, 304, r3=3.500000, r4=4.000000, &end
# Atom 1: HN LYS 22, Atom 2: HB3 LYS 22
 &rst iat=300, 305, r3=4.400000, r4=4.900000, &end
# Atom 1: HN LYS 22, Atom 2: HG2 LYS 22
 &rst iat=300, 307, r3=3.400000, r4=3.900000, &end
# Atom 1: HN LYS 22, Atom 2: HG3 LYS 22
 &rst iat=300, 308, r3=3.500000, r4=4.000000, &end
# Atom 1: HN LYS 22, Atom 2: QE LYS 22
 &rst iat=300, -1, r3=6.500000, r4=7.000000, igr2=313, 314, &end
# Atom 1: HN LYS 22, Atom 2: HN SER 23
 &rst iat=300, 322, r3=3.400000, r4=3.900000, &end
# Atom 1: HN LYS 22, Atom 2: QB SER 23
 &rst iat=300, -1, r3=6.000000, r4=6.500000, igr2=326, 327, &end
# Atom 1: HA LYS 22, Atom 2: HB2 LYS 22
 &rst iat=302, 304, r3=3.800000, r4=4.300000, &end
# Atom 1: HA LYS 22, Atom 2: HB3 LYS 22
 &rst iat=302, 305, r3=3.400000, r4=3.900000, &end
# Atom 1: HA LYS 22, Atom 2: HG2 LYS 22
 &rst iat=302, 307, r3=3.400000, r4=3.900000, &end
# Atom 1: HA LYS 22, Atom 2: HG3 LYS 22
 &rst iat=302, 308, r3=4.000000, r4=4.500000, &end
# Atom 1: HA LYS 22, Atom 2: QE LYS 22
 &rst iat=302, -1, r3=6.900000, r4=7.400000, igr2=313, 314, &end
# Atom 1: HA LYS 22, Atom 2: HN SER 23
 &rst iat=302, 322, r3=4.200000, r4=4.700000, &end
# Atom 1: HA LYS 22, Atom 2: HN CYS 24
 &rst iat=302, 333, r3=5.300000, r4=5.800000, &end
# Atom 1: HB2 LYS 22, Atom 2: HG2 LYS 22
 &rst iat=304, 307, r3=3.100000, r4=3.600000, &end
# Atom 1: HB2 LYS 22, Atom 2: HG3 LYS 22
 &rst iat=304, 308, r3=2.500000, r4=3.000000, &end
# Atom 1: HB2 LYS 22, Atom 2: QE LYS 22
 &rst iat=304, -1, r3=4.400000, r4=4.900000, igr2=313, 314, &end
# Atom 1: HB2 LYS 22, Atom 2: HN SER 23
 &rst iat=304, 322, r3=4.800000, r4=5.300000, &end
# Atom 1: HB3 LYS 22, Atom 2: HG2 LYS 22
 &rst iat=305, 307, r3=2.900000, r4=3.400000, &end
# Atom 1: HB3 LYS 22, Atom 2: HG3 LYS 22
 &rst iat=305, 308, r3=3.000000, r4=3.500000, &end
# Atom 1: HB3 LYS 22, Atom 2: QE LYS 22
 &rst iat=305, -1, r3=5.600000, r4=6.100000, igr2=313, 314, &end
# Atom 1: HB3 LYS 22, Atom 2: HN SER 23
 &rst iat=305, 322, r3=5.100000, r4=5.600000, &end
# Atom 1: HB3 LYS 22, Atom 2: QB SER 23
 &rst iat=305, -1, r3=5.700000, r4=6.200000, igr2=326, 327, &end
# Atom 1: HG2 LYS 22, Atom 2: QE LYS 22
 &rst iat=307, -1, r3=4.400000, r4=4.900000, igr2=313, 314, &end
# Atom 1: HG2 LYS 22, Atom 2: HN SER 23
 &rst iat=307, 322, r3=4.700000, r4=5.200000, &end
# Atom 1: HG3 LYS 22, Atom 2: QE LYS 22
 &rst iat=308, -1, r3=4.800000, r4=5.300000, igr2=313, 314, &end
# Atom 1: HG3 LYS 22, Atom 2: HN SER 23
 &rst iat=308, 322, r3=5.400000, r4=5.900000, &end
# Atom 1: HN SER 23, Atom 2: HA SER 23
 &rst iat=322, 324, r3=4.000000, r4=4.500000, &end
# Atom 1: HN SER 23, Atom 2: QB SER 23
 &rst iat=322, -1, r3=4.900000, r4=5.400000, igr2=326, 327, &end
# Atom 1: HN SER 23, Atom 2: HN CYS 24
 &rst iat=322, 333, r3=4.300000, r4=4.800000, &end
# Atom 1: HN SER 23, Atom 2: HA CYS 24
 &rst iat=322, 335, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 23, Atom 2: HB2 CYS 24
 &rst iat=322, 337, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 23, Atom 2: HB3 CYS 24
 &rst iat=322, 338, r3=6.000000, r4=6.500000, &end
# Atom 1: HA SER 23, Atom 2: QB SER 23
 &rst iat=324, -1, r3=4.700000, r4=5.200000, igr2=326, 327, &end
# Atom 1: HA SER 23, Atom 2: HN CYS 24
 &rst iat=324, 333, r3=3.400000, r4=3.900000, &end
# Atom 1: HA SER 23, Atom 2: HA CYS 24
 &rst iat=324, 335, r3=5.400000, r4=5.900000, &end
# Atom 1: QB SER 23, Atom 2: HN CYS 24
 &rst iat=-1, 333, r3=6.400000, r4=6.900000, igr1=326, 327, &end
# Atom 1: QB SER 23, Atom 2: HA CYS 24
 &rst iat=-1, 335, r3=7.000000, r4=7.500000, igr1=326, 327, &end
# Atom 1: QB SER 23, Atom 2: HND1 ASN 40
 &rst iat=-1, 540, r3=5.400000, r4=5.900000, igr1=326, 327, &end
# Atom 1: QB SER 23, Atom 2: HND2 ASN 40
 &rst iat=-1, 541, r3=5.800000, r4=6.300000, igr1=326, 327, &end
# Atom 1: HN CYS 24, Atom 2: HA CYS 24
 &rst iat=333, 335, r3=4.300000, r4=4.800000, &end
# Atom 1: HN CYS 24, Atom 2: HB2 CYS 24
 &rst iat=333, 337, r3=4.000000, r4=4.500000, &end
# Atom 1: HN CYS 24, Atom 2: HB3 CYS 24
 &rst iat=333, 338, r3=3.600000, r4=4.100000, &end
# Atom 1: HN CYS 24, Atom 2: HN SER 25
 &rst iat=333, 345, r3=4.900000, r4=5.400000, &end
# Atom 1: HN CYS 24, Atom 2: HN CYS 26
 &rst iat=333, 356, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 24, Atom 2: HB2 CYS 24
 &rst iat=335, 337, r3=3.900000, r4=4.400000, &end
# Atom 1: HA CYS 24, Atom 2: HB3 CYS 24
 &rst iat=335, 338, r3=4.400000, r4=4.900000, &end
# Atom 1: HA CYS 24, Atom 2: HN SER 25
 &rst iat=335, 345, r3=3.300000, r4=3.800000, &end
# Atom 1: HA CYS 24, Atom 2: HN CYS 26
 &rst iat=335, 356, r3=4.700000, r4=5.200000, &end
# Atom 1: HA CYS 24, Atom 2: HN GLY 39
 &rst iat=335, 524, r3=4.100000, r4=4.600000, &end
# Atom 1: HB2 CYS 24, Atom 2: HN SER 25
 &rst iat=337, 345, r3=5.500000, r4=6.000000, &end
# Atom 1: HB2 CYS 24, Atom 2: HN CYS 26
 &rst iat=337, 356, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 24, Atom 2: HN SER 25
 &rst iat=338, 345, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 24, Atom 2: HN CYS 26
 &rst iat=338, 356, r3=5.300000, r4=5.800000, &end
# Atom 1: HN SER 25, Atom 2: HA SER 25
 &rst iat=345, 347, r3=4.400000, r4=4.900000, &end
# Atom 1: HN SER 25, Atom 2: HB2 SER 25
 &rst iat=345, 349, r3=4.300000, r4=4.800000, &end
# Atom 1: HN SER 25, Atom 2: HB3 SER 25
 &rst iat=345, 350, r3=4.700000, r4=5.200000, &end
# Atom 1: HN SER 25, Atom 2: HN CYS 26
 &rst iat=345, 356, r3=3.800000, r4=4.300000, &end
# Atom 1: HN SER 25, Atom 2: HB2 CYS 26
 &rst iat=345, 360, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 25, Atom 2: HB2 PRO 37
 &rst iat=345, 506, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 25, Atom 2: HN CYS 38
 &rst iat=345, 512, r3=5.500000, r4=6.000000, &end
# Atom 1: HN SER 25, Atom 2: HA CYS 38
 &rst iat=345, 514, r3=4.000000, r4=4.500000, &end
# Atom 1: HN SER 25, Atom 2: HN GLY 39
 &rst iat=345, 524, r3=4.000000, r4=4.500000, &end
# Atom 1: HA SER 25, Atom 2: HB2 SER 25
 &rst iat=347, 349, r3=3.900000, r4=4.400000, &end
# Atom 1: HA SER 25, Atom 2: HB3 SER 25
 &rst iat=347, 350, r3=3.500000, r4=4.000000, &end
# Atom 1: HA SER 25, Atom 2: HN CYS 26
 &rst iat=347, 356, r3=3.400000, r4=3.900000, &end
# Atom 1: HB2 SER 25, Atom 2: HN CYS 26
 &rst iat=349, 356, r3=5.500000, r4=6.000000, &end
# Atom 1: HB2 SER 25, Atom 2: HB2 PRO 37
 &rst iat=349, 506, r3=5.000000, r4=5.500000, &end
# Atom 1: HB2 SER 25, Atom 2: HA CYS 38
 &rst iat=349, 514, r3=4.000000, r4=4.500000, &end
# Atom 1: HB2 SER 25, Atom 2: HN GLY 39
 &rst iat=349, 524, r3=4.000000, r4=4.500000, &end
# Atom 1: HB3 SER 25, Atom 2: HN CYS 26
 &rst iat=350, 356, r3=5.700000, r4=6.200000, &end
# Atom 1: HN CYS 26, Atom 2: HA CYS 26
 &rst iat=356, 358, r3=4.200000, r4=4.700000, &end
# Atom 1: HN CYS 26, Atom 2: HB2 CYS 26
 &rst iat=356, 360, r3=3.500000, r4=4.000000, &end
# Atom 1: HN CYS 26, Atom 2: HB3 CYS 26
 &rst iat=356, 361, r3=4.300000, r4=4.800000, &end
# Atom 1: HN CYS 26, Atom 2: HA PRO 27
 &rst iat=356, 378, r3=5.500000, r4=6.000000, &end
# Atom 1: HN CYS 26, Atom 2: HD2 PRO 27
 &rst iat=356, 370, r3=5.100000, r4=5.600000, &end
# Atom 1: HN CYS 26, Atom 2: HD3 PRO 27
 &rst iat=356, 369, r3=5.900000, r4=6.400000, &end
# Atom 1: HN CYS 26, Atom 2: HB2 CYS 30
 &rst iat=356, 407, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 26, Atom 2: HB3 CYS 30
 &rst iat=356, 408, r3=5.700000, r4=6.200000, &end
# Atom 1: HN CYS 26, Atom 2: HN CYS 38
 &rst iat=356, 512, r3=6.500000, r4=7.000000, &end
# Atom 1: HN CYS 26, Atom 2: HA CYS 38
 &rst iat=356, 514, r3=5.700000, r4=6.200000, &end
# Atom 1: HN CYS 26, Atom 2: HN GLY 39
 &rst iat=356, 524, r3=6.500000, r4=7.000000, &end
# Atom 1: HA CYS 26, Atom 2: HB2 CYS 26
 &rst iat=358, 360, r3=4.900000, r4=5.400000, &end
# Atom 1: HA CYS 26, Atom 2: HB3 CYS 26
 &rst iat=358, 361, r3=3.900000, r4=4.400000, &end
# Atom 1: HA CYS 26, Atom 2: HD2 PRO 27
 &rst iat=358, 370, r3=3.000000, r4=3.500000, &end
# Atom 1: HA CYS 26, Atom 2: HD3 PRO 27
 &rst iat=358, 369, r3=2.700000, r4=3.200000, &end
# Atom 1: HA CYS 26, Atom 2: HB2 CYS 30
 &rst iat=358, 407, r3=5.300000, r4=5.800000, &end
# Atom 1: HA CYS 26, Atom 2: HB3 CYS 30
 &rst iat=358, 408, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 26, Atom 2: HB2 PRO 37
 &rst iat=358, 506, r3=5.700000, r4=6.200000, &end
# Atom 1: HA CYS 26, Atom 2: HB3 PRO 37
 &rst iat=358, 505, r3=5.400000, r4=5.900000, &end
# Atom 1: HA CYS 26, Atom 2: HG2 PRO 37
 &rst iat=358, 503, r3=3.800000, r4=4.300000, &end
# Atom 1: HA CYS 26, Atom 2: HG3 PRO 37
 &rst iat=358, 502, r3=3.500000, r4=4.000000, &end
# Atom 1: HA CYS 26, Atom 2: HD2 PRO 37
 &rst iat=358, 500, r3=5.000000, r4=5.500000, &end
# Atom 1: HA CYS 26, Atom 2: HD3 PRO 37
 &rst iat=358, 499, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 26, Atom 2: HD2 PRO 27
 &rst iat=360, 370, r3=4.600000, r4=5.100000, &end
# Atom 1: HB2 CYS 26, Atom 2: HN CYS 30
 &rst iat=360, 403, r3=5.000000, r4=5.500000, &end
# Atom 1: HB2 CYS 26, Atom 2: HA CYS 30
 &rst iat=360, 405, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 26, Atom 2: HB3 CYS 30
 &rst iat=360, 408, r3=3.700000, r4=4.200000, &end
# Atom 1: HB2 CYS 26, Atom 2: HD2 PRO 37
 &rst iat=360, 500, r3=5.900000, r4=6.400000, &end
# Atom 1: HB2 CYS 26, Atom 2: HD3 PRO 37
 &rst iat=360, 499, r3=5.500000, r4=6.000000, &end
# Atom 1: HB3 CYS 26, Atom 2: HG2 PRO 27
 &rst iat=361, 373, r3=5.300000, r4=5.800000, &end
# Atom 1: HB3 CYS 26, Atom 2: HG3 PRO 27
 &rst iat=361, 372, r3=5.900000, r4=6.400000, &end
# Atom 1: HB3 CYS 26, Atom 2: HD2 PRO 27
 &rst iat=361, 370, r3=2.900000, r4=3.400000, &end
# Atom 1: HB3 CYS 26, Atom 2: HD3 PRO 27
 &rst iat=361, 369, r3=4.100000, r4=4.600000, &end
# Atom 1: HB3 CYS 26, Atom 2: HN CYS 30
 &rst iat=361, 403, r3=5.300000, r4=5.800000, &end
# Atom 1: HB3 CYS 26, Atom 2: HA CYS 30
 &rst iat=361, 405, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 26, Atom 2: HB2 CYS 30
 &rst iat=361, 407, r3=3.700000, r4=4.200000, &end
# Atom 1: HB3 CYS 26, Atom 2: HB3 CYS 30
 &rst iat=361, 408, r3=3.300000, r4=3.800000, &end
# Atom 1: HB3 CYS 26, Atom 2: HG3 PRO 37
 &rst iat=361, 502, r3=4.900000, r4=5.400000, &end
# Atom 1: HB3 CYS 26, Atom 2: HD3 PRO 37
 &rst iat=361, 499, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 26, Atom 2: HB2 CYS 38
 &rst iat=361, 516, r3=5.500000, r4=6.000000, &end
# Atom 1: HA PRO 27, Atom 2: HB2 PRO 27
 &rst iat=378, 376, r3=3.600000, r4=4.100000, &end
# Atom 1: HA PRO 27, Atom 2: HB3 PRO 27
 &rst iat=378, 375, r3=3.400000, r4=3.900000, &end
# Atom 1: HA PRO 27, Atom 2: HG2 PRO 27
 &rst iat=378, 373, r3=5.400000, r4=5.900000, &end
# Atom 1: HA PRO 27, Atom 2: HG3 PRO 27
 &rst iat=378, 372, r3=3.800000, r4=4.300000, &end
# Atom 1: HA PRO 27, Atom 2: HD2 PRO 27
 &rst iat=378, 370, r3=4.200000, r4=4.700000, &end
# Atom 1: HA PRO 27, Atom 2: HD3 PRO 27
 &rst iat=378, 369, r3=6.000000, r4=6.500000, &end
# Atom 1: HA PRO 27, Atom 2: HN THR 28
 &rst iat=378, 382, r3=3.200000, r4=3.700000, &end
# Atom 1: HA PRO 27, Atom 2: HA THR 28
 &rst iat=378, 384, r3=6.000000, r4=6.500000, &end
# Atom 1: HA PRO 27, Atom 2: QG THR 28
 &rst iat=378, -1, r3=7.000000, r4=7.500000, igr2=388, 389, 390, &end
# Atom 1: HA PRO 27, Atom 2: HN GLY 29
 &rst iat=378, 396, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 PRO 27, Atom 2: HG2 PRO 27
 &rst iat=376, 373, r3=2.300000, r4=2.800000, &end
# Atom 1: HB2 PRO 27, Atom 2: HG3 PRO 27
 &rst iat=376, 372, r3=2.800000, r4=3.300000, &end
# Atom 1: HB2 PRO 27, Atom 2: HD2 PRO 27
 &rst iat=376, 370, r3=4.100000, r4=4.600000, &end
# Atom 1: HB2 PRO 27, Atom 2: HD3 PRO 27
 &rst iat=376, 369, r3=4.400000, r4=4.900000, &end
# Atom 1: HB2 PRO 27, Atom 2: HN THR 28
 &rst iat=376, 382, r3=3.500000, r4=4.000000, &end
# Atom 1: HB2 PRO 27, Atom 2: HA THR 28
 &rst iat=376, 384, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 PRO 27, Atom 2: QG THR 28
 &rst iat=376, -1, r3=5.600000, r4=6.100000, igr2=388, 389, 390, &end
# Atom 1: HB2 PRO 27, Atom 2: HA3 GLY 29
 &rst iat=376, 399, r3=5.700000, r4=6.200000, &end
# Atom 1: HB2 PRO 27, Atom 2: HN CYS 30
 &rst iat=376, 403, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 PRO 27, Atom 2: HG2 PRO 27
 &rst iat=375, 373, r3=3.000000, r4=3.500000, &end
# Atom 1: HB3 PRO 27, Atom 2: HG3 PRO 27
 &rst iat=375, 372, r3=2.500000, r4=3.000000, &end
# Atom 1: HB3 PRO 27, Atom 2: HD2 PRO 27
 &rst iat=375, 370, r3=4.000000, r4=4.500000, &end
# Atom 1: HB3 PRO 27, Atom 2: HD3 PRO 27
 &rst iat=375, 369, r3=3.600000, r4=4.100000, &end
# Atom 1: HB3 PRO 27, Atom 2: HN THR 28
 &rst iat=375, 382, r3=4.000000, r4=4.500000, &end
# Atom 1: HB3 PRO 27, Atom 2: HA THR 28
 &rst iat=375, 384, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 PRO 27, Atom 2: QG THR 28
 &rst iat=375, -1, r3=6.400000, r4=6.900000, igr2=388, 389, 390, &end
# Atom 1: HB3 PRO 27, Atom 2: HA3 GLY 29
 &rst iat=375, 399, r3=6.000000, r4=6.500000, &end
# Atom 1: HG2 PRO 27, Atom 2: HD2 PRO 27
 &rst iat=373, 370, r3=2.900000, r4=3.400000, &end
# Atom 1: HG2 PRO 27, Atom 2: HD3 PRO 27
 &rst iat=373, 369, r3=3.500000, r4=4.000000, &end
# Atom 1: HG2 PRO 27, Atom 2: HN THR 28
 &rst iat=373, 382, r3=4.100000, r4=4.600000, &end
# Atom 1: HG2 PRO 27, Atom 2: HA THR 28
 &rst iat=373, 384, r3=6.000000, r4=6.500000, &end
# Atom 1: HG2 PRO 27, Atom 2: QG THR 28
 &rst iat=373, -1, r3=6.200000, r4=6.700000, igr2=388, 389, 390, &end
# Atom 1: HG2 PRO 27, Atom 2: HN GLY 29
 &rst iat=373, 396, r3=6.000000, r4=6.500000, &end
# Atom 1: HG2 PRO 27, Atom 2: HN CYS 30
 &rst iat=373, 403, r3=4.800000, r4=5.300000, &end
# Atom 1: HG2 PRO 27, Atom 2: HA CYS 30
 &rst iat=373, 405, r3=5.200000, r4=5.700000, &end
# Atom 1: HG2 PRO 27, Atom 2: HB2 CYS 30
 &rst iat=373, 407, r3=3.300000, r4=3.800000, &end
# Atom 1: HG2 PRO 27, Atom 2: HB3 CYS 30
 &rst iat=373, 408, r3=5.000000, r4=5.500000, &end
# Atom 1: HG2 PRO 27, Atom 2: HD3 PRO 37
 &rst iat=373, 499, r3=5.300000, r4=5.800000, &end
# Atom 1: HG3 PRO 27, Atom 2: HD2 PRO 27
 &rst iat=372, 370, r3=3.100000, r4=3.600000, &end
# Atom 1: HG3 PRO 27, Atom 2: HD3 PRO 27
 &rst iat=372, 369, r3=2.800000, r4=3.300000, &end
# Atom 1: HG3 PRO 27, Atom 2: HN THR 28
 &rst iat=372, 382, r3=4.900000, r4=5.400000, &end
# Atom 1: HG3 PRO 27, Atom 2: QG THR 28
 &rst iat=372, -1, r3=7.000000, r4=7.500000, igr2=388, 389, 390, &end
# Atom 1: HG3 PRO 27, Atom 2: HN CYS 30
 &rst iat=372, 403, r3=6.000000, r4=6.500000, &end
# Atom 1: HG3 PRO 27, Atom 2: HB2 CYS 30
 &rst iat=372, 407, r3=4.900000, r4=5.400000, &end
# Atom 1: HG3 PRO 27, Atom 2: HD3 PRO 37
 &rst iat=372, 499, r3=6.500000, r4=7.000000, &end
# Atom 1: HD2 PRO 27, Atom 2: HN GLY 29
 &rst iat=370, 396, r3=6.000000, r4=6.500000, &end
# Atom 1: HD2 PRO 27, Atom 2: HN CYS 30
 &rst iat=370, 403, r3=5.100000, r4=5.600000, &end
# Atom 1: HD2 PRO 27, Atom 2: HA CYS 30
 &rst iat=370, 405, r3=5.000000, r4=5.500000, &end
# Atom 1: HD2 PRO 27, Atom 2: HB2 CYS 30
 &rst iat=370, 407, r3=3.400000, r4=3.900000, &end
# Atom 1: HD2 PRO 27, Atom 2: HB3 CYS 30
 &rst iat=370, 408, r3=4.700000, r4=5.200000, &end
# Atom 1: HD2 PRO 27, Atom 2: HB2 PRO 37
 &rst iat=370, 506, r3=6.000000, r4=6.500000, &end
# Atom 1: HD2 PRO 27, Atom 2: HG2 PRO 37
 &rst iat=370, 503, r3=3.800000, r4=4.300000, &end
# Atom 1: HD2 PRO 27, Atom 2: HG3 PRO 37
 &rst iat=370, 502, r3=3.700000, r4=4.200000, &end
# Atom 1: HD2 PRO 27, Atom 2: HD2 PRO 37
 &rst iat=370, 500, r3=4.000000, r4=4.500000, &end
# Atom 1: HD2 PRO 27, Atom 2: HD3 PRO 37
 &rst iat=370, 499, r3=5.000000, r4=5.500000, &end
# Atom 1: HD3 PRO 27, Atom 2: HN THR 28
 &rst iat=369, 382, r3=6.000000, r4=6.500000, &end
# Atom 1: HD3 PRO 27, Atom 2: HB2 PRO 37
 &rst iat=369, 506, r3=5.200000, r4=5.700000, &end
# Atom 1: HD3 PRO 27, Atom 2: HG2 PRO 37
 &rst iat=369, 503, r3=3.100000, r4=3.600000, &end
# Atom 1: HD3 PRO 27, Atom 2: HG3 PRO 37
 &rst iat=369, 502, r3=3.400000, r4=3.900000, &end
# Atom 1: HD3 PRO 27, Atom 2: HD2 PRO 37
 &rst iat=369, 500, r3=4.900000, r4=5.400000, &end
# Atom 1: HN THR 28, Atom 2: HA THR 28
 &rst iat=382, 384, r3=3.900000, r4=4.400000, &end
# Atom 1: HN THR 28, Atom 2: HB THR 28
 &rst iat=382, 386, r3=3.600000, r4=4.100000, &end
# Atom 1: HN THR 28, Atom 2: QG THR 28
 &rst iat=382, -1, r3=4.200000, r4=4.700000, igr2=388, 389, 390, &end
# Atom 1: HN THR 28, Atom 2: HN GLY 29
 &rst iat=382, 396, r3=5.200000, r4=5.700000, &end
# Atom 1: HN THR 28, Atom 2: HA2 GLY 29
 &rst iat=382, 398, r3=6.000000, r4=6.500000, &end
# Atom 1: HN THR 28, Atom 2: HA3 GLY 29
 &rst iat=382, 399, r3=4.800000, r4=5.300000, &end
# Atom 1: HN THR 28, Atom 2: HN CYS 30
 &rst iat=382, 403, r3=6.000000, r4=6.500000, &end
# Atom 1: HA THR 28, Atom 2: HB THR 28
 &rst iat=384, 386, r3=3.500000, r4=4.000000, &end
# Atom 1: HA THR 28, Atom 2: QG THR 28
 &rst iat=384, -1, r3=3.700000, r4=4.200000, igr2=388, 389, 390, &end
# Atom 1: HA THR 28, Atom 2: HN GLY 29
 &rst iat=384, 396, r3=3.300000, r4=3.800000, &end
# Atom 1: HA THR 28, Atom 2: HA2 GLY 29
 &rst iat=384, 398, r3=5.500000, r4=6.000000, &end
# Atom 1: HA THR 28, Atom 2: HA3 GLY 29
 &rst iat=384, 399, r3=6.000000, r4=6.500000, &end
# Atom 1: HA THR 28, Atom 2: HN CYS 30
 &rst iat=384, 403, r3=4.100000, r4=4.600000, &end
# Atom 1: HB THR 28, Atom 2: QG THR 28
 &rst iat=386, -1, r3=3.500000, r4=4.000000, igr2=388, 389, 390, &end
# Atom 1: HB THR 28, Atom 2: HN GLY 29
 &rst iat=386, 396, r3=4.400000, r4=4.900000, &end
# Atom 1: QG THR 28, Atom 2: HN GLY 29
 &rst iat=-1, 396, r3=3.500000, r4=4.000000, igr1=388, 389, 390, &end
# Atom 1: QG THR 28, Atom 2: HA2 GLY 29
 &rst iat=-1, 398, r3=4.700000, r4=5.200000, igr1=388, 389, 390, &end
# Atom 1: QG THR 28, Atom 2: HA3 GLY 29
 &rst iat=-1, 399, r3=4.500000, r4=5.000000, igr1=388, 389, 390, &end
# Atom 1: QG THR 28, Atom 2: HN CYS 30
 &rst iat=-1, 403, r3=5.600000, r4=6.100000, igr1=388, 389, 390, &end
# Atom 1: HN GLY 29, Atom 2: HA2 GLY 29
 &rst iat=396, 398, r3=3.300000, r4=3.800000, &end
# Atom 1: HN GLY 29, Atom 2: HA3 GLY 29
 &rst iat=396, 399, r3=3.900000, r4=4.400000, &end
# Atom 1: HN GLY 29, Atom 2: HN CYS 30
 &rst iat=396, 403, r3=3.700000, r4=4.200000, &end
# Atom 1: HN GLY 29, Atom 2: HA CYS 30
 &rst iat=396, 405, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLY 29, Atom 2: HB2 CYS 30
 &rst iat=396, 407, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLY 29, Atom 2: HB3 CYS 30
 &rst iat=396, 408, r3=6.000000, r4=6.500000, &end
# Atom 1: HN GLY 29, Atom 2: HND2 ASN 31
 &rst iat=396, 425, r3=5.600000, r4=6.100000, &end
# Atom 1: HA2 GLY 29, Atom 2: HN CYS 30
 &rst iat=398, 403, r3=4.100000, r4=4.600000, &end
# Atom 1: HA2 GLY 29, Atom 2: HN ASN 31
 &rst iat=398, 415, r3=5.700000, r4=6.200000, &end
# Atom 1: HA2 GLY 29, Atom 2: HND1 ASN 31
 &rst iat=398, 424, r3=4.700000, r4=5.200000, &end
# Atom 1: HA2 GLY 29, Atom 2: HND2 ASN 31
 &rst iat=398, 425, r3=3.800000, r4=4.300000, &end
# Atom 1: HA3 GLY 29, Atom 2: HN CYS 30
 &rst iat=399, 403, r3=4.400000, r4=4.900000, &end
# Atom 1: HA3 GLY 29, Atom 2: HN ASN 31
 &rst iat=399, 415, r3=6.000000, r4=6.500000, &end
# Atom 1: HA3 GLY 29, Atom 2: HND1 ASN 31
 &rst iat=399, 424, r3=5.200000, r4=5.700000, &end
# Atom 1: HA3 GLY 29, Atom 2: HND2 ASN 31
 &rst iat=399, 425, r3=4.600000, r4=5.100000, &end
# Atom 1: HN CYS 30, Atom 2: HA CYS 30
 &rst iat=403, 405, r3=4.000000, r4=4.500000, &end
# Atom 1: HN CYS 30, Atom 2: HB2 CYS 30
 &rst iat=403, 407, r3=3.600000, r4=4.100000, &end
# Atom 1: HN CYS 30, Atom 2: HB3 CYS 30
 &rst iat=403, 408, r3=3.600000, r4=4.100000, &end
# Atom 1: HN CYS 30, Atom 2: HN ASN 31
 &rst iat=403, 415, r3=5.100000, r4=5.600000, &end
# Atom 1: HN CYS 30, Atom 2: HB2 ASN 31
 &rst iat=403, 419, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 30, Atom 2: HN SER 32
 &rst iat=403, 429, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 30, Atom 2: HB2 CYS 30
 &rst iat=405, 407, r3=3.600000, r4=4.100000, &end
# Atom 1: HA CYS 30, Atom 2: HB3 CYS 30
 &rst iat=405, 408, r3=4.600000, r4=5.100000, &end
# Atom 1: HA CYS 30, Atom 2: HN ASN 31
 &rst iat=405, 415, r3=3.200000, r4=3.700000, &end
# Atom 1: HA CYS 30, Atom 2: HN SER 32
 &rst iat=405, 429, r3=4.100000, r4=4.600000, &end
# Atom 1: HA CYS 30, Atom 2: HN LYS 35
 &rst iat=405, 464, r3=6.000000, r4=6.500000, &end
# Atom 1: HA CYS 30, Atom 2: HB2 LYS 35
 &rst iat=405, 468, r3=4.600000, r4=5.100000, &end
# Atom 1: HA CYS 30, Atom 2: HB3 LYS 35
 &rst iat=405, 469, r3=5.400000, r4=5.900000, &end
# Atom 1: HA CYS 30, Atom 2: HA CYS 36
 &rst iat=405, 488, r3=4.500000, r4=5.000000, &end
# Atom 1: HA CYS 30, Atom 2: HB2 CYS 36
 &rst iat=405, 490, r3=5.700000, r4=6.200000, &end
# Atom 1: HB2 CYS 30, Atom 2: HN ASN 31
 &rst iat=407, 415, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 30, Atom 2: HB3 LYS 35
 &rst iat=407, 469, r3=5.500000, r4=6.000000, &end
# Atom 1: HB2 CYS 30, Atom 2: HA CYS 36
 &rst iat=407, 488, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 30, Atom 2: HN ASN 31
 &rst iat=408, 415, r3=5.800000, r4=6.300000, &end
# Atom 1: HN ASN 31, Atom 2: HA ASN 31
 &rst iat=415, 417, r3=3.600000, r4=4.100000, &end
# Atom 1: HN ASN 31, Atom 2: HB2 ASN 31
 &rst iat=415, 419, r3=3.900000, r4=4.400000, &end
# Atom 1: HN ASN 31, Atom 2: HB3 ASN 31
 &rst iat=415, 420, r3=4.500000, r4=5.000000, &end
# Atom 1: HN ASN 31, Atom 2: HND1 ASN 31
 &rst iat=415, 424, r3=4.400000, r4=4.900000, &end
# Atom 1: HN ASN 31, Atom 2: HND2 ASN 31
 &rst iat=415, 425, r3=5.400000, r4=5.900000, &end
# Atom 1: HN ASN 31, Atom 2: HN SER 32
 &rst iat=415, 429, r3=3.300000, r4=3.800000, &end
# Atom 1: HN ASN 31, Atom 2: HA SER 32
 &rst iat=415, 431, r3=6.000000, r4=6.500000, &end
# Atom 1: HN ASN 31, Atom 2: HB2 SER 32
 &rst iat=415, 433, r3=5.900000, r4=6.400000, &end
# Atom 1: HN ASN 31, Atom 2: HB3 SER 32
 &rst iat=415, 434, r3=6.000000, r4=6.500000, &end
# Atom 1: HN ASN 31, Atom 2: HB2 LYS 35
 &rst iat=415, 468, r3=6.000000, r4=6.500000, &end
# Atom 1: HN ASN 31, Atom 2: HB3 LYS 35
 &rst iat=415, 469, r3=5.900000, r4=6.400000, &end
# Atom 1: HA ASN 31, Atom 2: HB2 ASN 31
 &rst iat=417, 419, r3=3.900000, r4=4.400000, &end
# Atom 1: HA ASN 31, Atom 2: HB3 ASN 31
 &rst iat=417, 420, r3=3.700000, r4=4.200000, &end
# Atom 1: HA ASN 31, Atom 2: HND1 ASN 31
 &rst iat=417, 424, r3=3.700000, r4=4.200000, &end
# Atom 1: HA ASN 31, Atom 2: HND2 ASN 31
 &rst iat=417, 425, r3=4.700000, r4=5.200000, &end
# Atom 1: HA ASN 31, Atom 2: HN SER 32
 &rst iat=417, 429, r3=3.200000, r4=3.700000, &end
# Atom 1: HB2 ASN 31, Atom 2: HND1 ASN 31
 &rst iat=419, 424, r3=2.900000, r4=3.400000, &end
# Atom 1: HB2 ASN 31, Atom 2: HND2 ASN 31
 &rst iat=419, 425, r3=3.500000, r4=4.000000, &end
# Atom 1: HB2 ASN 31, Atom 2: HN SER 32
 &rst iat=419, 429, r3=5.000000, r4=5.500000, &end
# Atom 1: HB3 ASN 31, Atom 2: HND1 ASN 31
 &rst iat=420, 424, r3=3.400000, r4=3.900000, &end
# Atom 1: HB3 ASN 31, Atom 2: HND2 ASN 31
 &rst iat=420, 425, r3=4.000000, r4=4.500000, &end
# Atom 1: HB3 ASN 31, Atom 2: HN SER 32
 &rst iat=420, 429, r3=5.800000, r4=6.300000, &end
# Atom 1: HND1 ASN 31, Atom 2: HN SER 32
 &rst iat=424, 429, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 32, Atom 2: HA SER 32
 &rst iat=429, 431, r3=3.900000, r4=4.400000, &end
# Atom 1: HN SER 32, Atom 2: HB2 SER 32
 &rst iat=429, 433, r3=3.700000, r4=4.200000, &end
# Atom 1: HN SER 32, Atom 2: HB3 SER 32
 &rst iat=429, 434, r3=4.300000, r4=4.800000, &end
# Atom 1: HN SER 32, Atom 2: HA ASP 33
 &rst iat=429, 442, r3=6.000000, r4=6.500000, &end
# Atom 1: HN SER 32, Atom 2: HN LYS 35
 &rst iat=429, 464, r3=5.600000, r4=6.100000, &end
# Atom 1: HN SER 32, Atom 2: HB2 LYS 35
 &rst iat=429, 468, r3=5.300000, r4=5.800000, &end
# Atom 1: HN SER 32, Atom 2: HB2 CYS 36
 &rst iat=429, 490, r3=6.000000, r4=6.500000, &end
# Atom 1: HA SER 32, Atom 2: HB2 SER 32
 &rst iat=431, 433, r3=3.700000, r4=4.200000, &end
# Atom 1: HA SER 32, Atom 2: HB3 SER 32
 &rst iat=431, 434, r3=3.900000, r4=4.400000, &end
# Atom 1: HA SER 32, Atom 2: HN ASP 33
 &rst iat=431, 440, r3=3.400000, r4=3.900000, &end
# Atom 1: HA SER 32, Atom 2: HN ASP 34
 &rst iat=431, 452, r3=4.200000, r4=4.700000, &end
# Atom 1: HB2 SER 32, Atom 2: HN ASP 33
 &rst iat=433, 440, r3=4.500000, r4=5.000000, &end
# Atom 1: HB2 SER 32, Atom 2: HN LYS 35
 &rst iat=433, 464, r3=4.700000, r4=5.200000, &end
# Atom 1: HB2 SER 32, Atom 2: HB2 LYS 35
 &rst iat=433, 468, r3=4.200000, r4=4.700000, &end
# Atom 1: HB2 SER 32, Atom 2: HB3 LYS 35
 &rst iat=433, 469, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 SER 32, Atom 2: HG3 LYS 35
 &rst iat=433, 472, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 SER 32, Atom 2: HN CYS 36
 &rst iat=433, 486, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 SER 32, Atom 2: HN ASP 33
 &rst iat=434, 440, r3=3.800000, r4=4.300000, &end
# Atom 1: HB3 SER 32, Atom 2: HA ASP 33
 &rst iat=434, 442, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 SER 32, Atom 2: HN LYS 35
 &rst iat=434, 464, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 SER 32, Atom 2: HB2 LYS 35
 &rst iat=434, 468, r3=4.600000, r4=5.100000, &end
# Atom 1: HB3 SER 32, Atom 2: HG2 LYS 35
 &rst iat=434, 471, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 SER 32, Atom 2: HG3 LYS 35
 &rst iat=434, 472, r3=4.500000, r4=5.000000, &end
# Atom 1: HN ASP 33, Atom 2: HA ASP 33
 &rst iat=440, 442, r3=5.600000, r4=6.100000, &end
# Atom 1: HN ASP 33, Atom 2: HB2 ASP 33
 &rst iat=440, 444, r3=4.400000, r4=4.900000, &end
# Atom 1: HN ASP 33, Atom 2: HB3 ASP 33
 &rst iat=440, 445, r3=5.400000, r4=5.900000, &end
# Atom 1: HN ASP 33, Atom 2: HN ASP 34
 &rst iat=440, 452, r3=4.900000, r4=5.400000, &end
# Atom 1: HA ASP 33, Atom 2: HB2 ASP 33
 &rst iat=442, 444, r3=4.100000, r4=4.600000, &end
# Atom 1: HA ASP 33, Atom 2: HB3 ASP 33
 &rst iat=442, 445, r3=3.400000, r4=3.900000, &end
# Atom 1: HA ASP 33, Atom 2: HN ASP 34
 &rst iat=442, 452, r3=4.800000, r4=5.300000, &end
# Atom 1: HA ASP 33, Atom 2: HN LYS 35
 &rst iat=442, 464, r3=5.500000, r4=6.000000, &end
# Atom 1: HA ASP 33, Atom 2: HN CYS 36
 &rst iat=442, 486, r3=5.200000, r4=5.700000, &end
# Atom 1: HA ASP 33, Atom 2: HB2 CYS 36
 &rst iat=442, 490, r3=3.400000, r4=3.900000, &end
# Atom 1: HA ASP 33, Atom 2: HB3 CYS 36
 &rst iat=442, 491, r3=3.300000, r4=3.800000, &end
# Atom 1: HB2 ASP 33, Atom 2: HN ASP 34
 &rst iat=444, 452, r3=4.300000, r4=4.800000, &end
# Atom 1: HB3 ASP 33, Atom 2: HN ASP 34
 &rst iat=445, 452, r3=4.900000, r4=5.400000, &end
# Atom 1: HN ASP 34, Atom 2: HA ASP 34
 &rst iat=452, 454, r3=4.200000, r4=4.700000, &end
# Atom 1: HN ASP 34, Atom 2: HB2 ASP 34
 &rst iat=452, 456, r3=3.800000, r4=4.300000, &end
# Atom 1: HN ASP 34, Atom 2: HB3 ASP 34
 &rst iat=452, 457, r3=4.100000, r4=4.600000, &end
# Atom 1: HN ASP 34, Atom 2: HN LYS 35
 &rst iat=452, 464, r3=4.100000, r4=4.600000, &end
# Atom 1: HN ASP 34, Atom 2: HA LYS 35
 &rst iat=452, 466, r3=6.000000, r4=6.500000, &end
# Atom 1: HN ASP 34, Atom 2: HB2 LYS 35
 &rst iat=452, 468, r3=6.000000, r4=6.500000, &end
# Atom 1: HN ASP 34, Atom 2: HN CYS 36
 &rst iat=452, 486, r3=5.300000, r4=5.800000, &end
# Atom 1: HA ASP 34, Atom 2: HB2 ASP 34
 &rst iat=454, 456, r3=3.600000, r4=4.100000, &end
# Atom 1: HA ASP 34, Atom 2: HB3 ASP 34
 &rst iat=454, 457, r3=3.300000, r4=3.800000, &end
# Atom 1: HA ASP 34, Atom 2: HN LYS 35
 &rst iat=454, 464, r3=4.300000, r4=4.800000, &end
# Atom 1: HA ASP 34, Atom 2: HN CYS 36
 &rst iat=454, 486, r3=4.600000, r4=5.100000, &end
# Atom 1: HA ASP 34, Atom 2: HB3 CYS 36
 &rst iat=454, 491, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 ASP 34, Atom 2: HN LYS 35
 &rst iat=456, 464, r3=5.300000, r4=5.800000, &end
# Atom 1: HB2 ASP 34, Atom 2: HN CYS 36
 &rst iat=456, 486, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 ASP 34, Atom 2: HN LYS 35
 &rst iat=457, 464, r3=5.200000, r4=5.700000, &end
# Atom 1: HB3 ASP 34, Atom 2: HN CYS 36
 &rst iat=457, 486, r3=5.800000, r4=6.300000, &end
# Atom 1: HN LYS 35, Atom 2: HA LYS 35
 &rst iat=464, 466, r3=3.900000, r4=4.400000, &end
# Atom 1: HN LYS 35, Atom 2: HB2 LYS 35
 &rst iat=464, 468, r3=4.100000, r4=4.600000, &end
# Atom 1: HN LYS 35, Atom 2: HB3 LYS 35
 &rst iat=464, 469, r3=4.500000, r4=5.000000, &end
# Atom 1: HN LYS 35, Atom 2: HG2 LYS 35
 &rst iat=464, 471, r3=3.700000, r4=4.200000, &end
# Atom 1: HN LYS 35, Atom 2: HG3 LYS 35
 &rst iat=464, 472, r3=4.000000, r4=4.500000, &end
# Atom 1: HN LYS 35, Atom 2: QD LYS 35
 &rst iat=464, -1, r3=7.000000, r4=7.500000, igr2=474, 475, &end
# Atom 1: HN LYS 35, Atom 2: QE LYS 35
 &rst iat=464, -1, r3=7.000000, r4=7.500000, igr2=477, 478, &end
# Atom 1: HN LYS 35, Atom 2: HN CYS 36
 &rst iat=464, 486, r3=3.400000, r4=3.900000, &end
# Atom 1: HN LYS 35, Atom 2: HA CYS 36
 &rst iat=464, 488, r3=6.000000, r4=6.500000, &end
# Atom 1: HN LYS 35, Atom 2: HB2 CYS 36
 &rst iat=464, 490, r3=6.000000, r4=6.500000, &end
# Atom 1: HN LYS 35, Atom 2: HB3 CYS 36
 &rst iat=464, 491, r3=6.000000, r4=6.500000, &end
# Atom 1: HA LYS 35, Atom 2: HB2 LYS 35
 &rst iat=466, 468, r3=3.500000, r4=4.000000, &end
# Atom 1: HA LYS 35, Atom 2: HB3 LYS 35
 &rst iat=466, 469, r3=3.300000, r4=3.800000, &end
# Atom 1: HA LYS 35, Atom 2: HG2 LYS 35
 &rst iat=466, 471, r3=3.100000, r4=3.600000, &end
# Atom 1: HA LYS 35, Atom 2: HG3 LYS 35
 &rst iat=466, 472, r3=3.600000, r4=4.100000, &end
# Atom 1: HA LYS 35, Atom 2: QD LYS 35
 &rst iat=466, -1, r3=4.900000, r4=5.400000, igr2=474, 475, &end
# Atom 1: HA LYS 35, Atom 2: QE LYS 35
 &rst iat=466, -1, r3=7.000000, r4=7.500000, igr2=477, 478, &end
# Atom 1: HA LYS 35, Atom 2: HN CYS 36
 &rst iat=466, 486, r3=4.100000, r4=4.600000, &end
# Atom 1: HA LYS 35, Atom 2: HA CYS 36
 &rst iat=466, 488, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 LYS 35, Atom 2: HG2 LYS 35
 &rst iat=468, 471, r3=3.300000, r4=3.800000, &end
# Atom 1: HB2 LYS 35, Atom 2: HG3 LYS 35
 &rst iat=468, 472, r3=2.500000, r4=3.000000, &end
# Atom 1: HB2 LYS 35, Atom 2: QE LYS 35
 &rst iat=468, -1, r3=4.900000, r4=5.400000, igr2=477, 478, &end
# Atom 1: HB2 LYS 35, Atom 2: HN CYS 36
 &rst iat=468, 486, r3=5.100000, r4=5.600000, &end
# Atom 1: HB3 LYS 35, Atom 2: HG2 LYS 35
 &rst iat=469, 471, r3=2.700000, r4=3.200000, &end
# Atom 1: HB3 LYS 35, Atom 2: HG3 LYS 35
 &rst iat=469, 472, r3=3.100000, r4=3.600000, &end
# Atom 1: HB3 LYS 35, Atom 2: QD LYS 35
 &rst iat=469, -1, r3=4.600000, r4=5.100000, igr2=474, 475, &end
# Atom 1: HB3 LYS 35, Atom 2: QE LYS 35
 &rst iat=469, -1, r3=5.800000, r4=6.300000, igr2=477, 478, &end
# Atom 1: HB3 LYS 35, Atom 2: HN CYS 36
 &rst iat=469, 486, r3=5.600000, r4=6.100000, &end
# Atom 1: HG2 LYS 35, Atom 2: QD LYS 35
 &rst iat=471, -1, r3=4.300000, r4=4.800000, igr2=474, 475, &end
# Atom 1: HG2 LYS 35, Atom 2: QE LYS 35
 &rst iat=471, -1, r3=4.900000, r4=5.400000, igr2=477, 478, &end
# Atom 1: HG2 LYS 35, Atom 2: HN CYS 36
 &rst iat=471, 486, r3=5.200000, r4=5.700000, &end
# Atom 1: HG3 LYS 35, Atom 2: QD LYS 35
 &rst iat=472, -1, r3=4.000000, r4=4.500000, igr2=474, 475, &end
# Atom 1: HG3 LYS 35, Atom 2: QE LYS 35
 &rst iat=472, -1, r3=5.100000, r4=5.600000, igr2=477, 478, &end
# Atom 1: HG3 LYS 35, Atom 2: HN CYS 36
 &rst iat=472, 486, r3=6.000000, r4=6.500000, &end
# Atom 1: QD LYS 35, Atom 2: QE LYS 35
 &rst iat=-1, -1, r3=5.500000, r4=6.000000, 
 igr1=474, 475, igr2=477, 478, &end
# Atom 1: HN CYS 36, Atom 2: HA CYS 36
 &rst iat=486, 488, r3=4.000000, r4=4.500000, &end
# Atom 1: HN CYS 36, Atom 2: HB2 CYS 36
 &rst iat=486, 490, r3=3.600000, r4=4.100000, &end
# Atom 1: HN CYS 36, Atom 2: HB3 CYS 36
 &rst iat=486, 491, r3=3.300000, r4=3.800000, &end
# Atom 1: HN CYS 36, Atom 2: HA PRO 37
 &rst iat=486, 508, r3=6.000000, r4=6.500000, &end
# Atom 1: HN CYS 36, Atom 2: HD2 PRO 37
 &rst iat=486, 500, r3=5.600000, r4=6.100000, &end
# Atom 1: HN CYS 36, Atom 2: HD3 PRO 37
 &rst iat=486, 499, r3=4.700000, r4=5.200000, &end
# Atom 1: HN CYS 36, Atom 2: HN CYS 38
 &rst iat=486, 512, r3=5.400000, r4=5.900000, &end
# Atom 1: HA CYS 36, Atom 2: HB2 CYS 36
 &rst iat=488, 490, r3=3.500000, r4=4.000000, &end
# Atom 1: HA CYS 36, Atom 2: HB3 CYS 36
 &rst iat=488, 491, r3=4.000000, r4=4.500000, &end
# Atom 1: HA CYS 36, Atom 2: HG2 PRO 37
 &rst iat=488, 503, r3=4.400000, r4=4.900000, &end
# Atom 1: HA CYS 36, Atom 2: HG3 PRO 37
 &rst iat=488, 502, r3=4.700000, r4=5.200000, &end
# Atom 1: HA CYS 36, Atom 2: HD2 PRO 37
 &rst iat=488, 500, r3=3.600000, r4=4.100000, &end
# Atom 1: HA CYS 36, Atom 2: HD3 PRO 37
 &rst iat=488, 499, r3=3.100000, r4=3.600000, &end
# Atom 1: HA CYS 36, Atom 2: HN CYS 38
 &rst iat=488, 512, r3=5.300000, r4=5.800000, &end
# Atom 1: HA CYS 36, Atom 2: HB2 CYS 38
 &rst iat=488, 516, r3=5.000000, r4=5.500000, &end
# Atom 1: HB2 CYS 36, Atom 2: HD2 PRO 37
 &rst iat=490, 500, r3=5.000000, r4=5.500000, &end
# Atom 1: HB2 CYS 36, Atom 2: HD3 PRO 37
 &rst iat=490, 499, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 CYS 36, Atom 2: HN CYS 38
 &rst iat=490, 512, r3=6.000000, r4=6.500000, &end
# Atom 1: HB3 CYS 36, Atom 2: HN CYS 38
 &rst iat=491, 512, r3=6.000000, r4=6.500000, &end
# Atom 1: HA PRO 37, Atom 2: HB2 PRO 37
 &rst iat=508, 506, r3=4.600000, r4=5.100000, &end
# Atom 1: HA PRO 37, Atom 2: HB3 PRO 37
 &rst iat=508, 505, r3=4.000000, r4=4.500000, &end
# Atom 1: HA PRO 37, Atom 2: HG3 PRO 37
 &rst iat=508, 502, r3=3.800000, r4=4.300000, &end
# Atom 1: HA PRO 37, Atom 2: HN CYS 38
 &rst iat=508, 512, r3=3.900000, r4=4.400000, &end
# Atom 1: HA PRO 37, Atom 2: HB3 CYS 38
 &rst iat=508, 517, r3=5.800000, r4=6.300000, &end
# Atom 1: HB2 PRO 37, Atom 2: HG2 PRO 37
 &rst iat=506, 503, r3=2.700000, r4=3.200000, &end
# Atom 1: HB2 PRO 37, Atom 2: HG3 PRO 37
 &rst iat=506, 502, r3=2.700000, r4=3.200000, &end
# Atom 1: HB2 PRO 37, Atom 2: HD2 PRO 37
 &rst iat=506, 500, r3=6.000000, r4=6.500000, &end
# Atom 1: HB2 PRO 37, Atom 2: HD3 PRO 37
 &rst iat=506, 499, r3=4.700000, r4=5.200000, &end
# Atom 1: HB2 PRO 37, Atom 2: HN CYS 38
 &rst iat=506, 512, r3=5.800000, r4=6.300000, &end
# Atom 1: HB2 PRO 37, Atom 2: HA CYS 38
 &rst iat=506, 514, r3=5.000000, r4=5.500000, &end
# Atom 1: HB3 PRO 37, Atom 2: HG2 PRO 37
 &rst iat=505, 503, r3=3.100000, r4=3.600000, &end
# Atom 1: HB3 PRO 37, Atom 2: HG3 PRO 37
 &rst iat=505, 502, r3=2.600000, r4=3.100000, &end
# Atom 1: HB3 PRO 37, Atom 2: HD2 PRO 37
 &rst iat=505, 500, r3=5.100000, r4=5.600000, &end
# Atom 1: HB3 PRO 37, Atom 2: HD3 PRO 37
 &rst iat=505, 499, r3=3.600000, r4=4.100000, &end
# Atom 1: HB3 PRO 37, Atom 2: HN CYS 38
 &rst iat=505, 512, r3=4.500000, r4=5.000000, &end
# Atom 1: HG2 PRO 37, Atom 2: HD2 PRO 37
 &rst iat=503, 500, r3=3.200000, r4=3.700000, &end
# Atom 1: HG2 PRO 37, Atom 2: HD3 PRO 37
 &rst iat=503, 499, r3=2.900000, r4=3.400000, &end
# Atom 1: HG2 PRO 37, Atom 2: HN CYS 38
 &rst iat=503, 512, r3=5.400000, r4=5.900000, &end
# Atom 1: HG3 PRO 37, Atom 2: HD2 PRO 37
 &rst iat=502, 500, r3=3.000000, r4=3.500000, &end
# Atom 1: HG3 PRO 37, Atom 2: HD3 PRO 37
 &rst iat=502, 499, r3=3.400000, r4=3.900000, &end
# Atom 1: HG3 PRO 37, Atom 2: HN CYS 38
 &rst iat=502, 512, r3=4.600000, r4=5.100000, &end
# Atom 1: HD2 PRO 37, Atom 2: HN CYS 38
 &rst iat=500, 512, r3=3.600000, r4=4.100000, &end
# Atom 1: HD2 PRO 37, Atom 2: HB2 CYS 38
 &rst iat=500, 516, r3=4.800000, r4=5.300000, &end
# Atom 1: HD3 PRO 37, Atom 2: HN CYS 38
 &rst iat=499, 512, r3=4.400000, r4=4.900000, &end
# Atom 1: HN CYS 38, Atom 2: HA CYS 38
 &rst iat=512, 514, r3=3.900000, r4=4.400000, &end
# Atom 1: HN CYS 38, Atom 2: HB2 CYS 38
 &rst iat=512, 516, r3=2.900000, r4=3.400000, &end
# Atom 1: HN CYS 38, Atom 2: HB3 CYS 38
 &rst iat=512, 517, r3=3.400000, r4=3.900000, &end
# Atom 1: HN CYS 38, Atom 2: HN GLY 39
 &rst iat=512, 524, r3=4.900000, r4=5.400000, &end
# Atom 1: HN CYS 38, Atom 2: HN ASN 40
 &rst iat=512, 531, r3=5.600000, r4=6.100000, &end
# Atom 1: HA CYS 38, Atom 2: HB2 CYS 38
 &rst iat=514, 516, r3=3.700000, r4=4.200000, &end
# Atom 1: HA CYS 38, Atom 2: HB3 CYS 38
 &rst iat=514, 517, r3=4.000000, r4=4.500000, &end
# Atom 1: HA CYS 38, Atom 2: HN GLY 39
 &rst iat=514, 524, r3=3.300000, r4=3.800000, &end
# Atom 1: HA CYS 38, Atom 2: HN ASN 40
 &rst iat=514, 531, r3=5.400000, r4=5.900000, &end
# Atom 1: HB2 CYS 38, Atom 2: HN GLY 39
 &rst iat=516, 524, r3=5.100000, r4=5.600000, &end
# Atom 1: HB2 CYS 38, Atom 2: HN ASN 40
 &rst iat=516, 531, r3=5.800000, r4=6.300000, &end
# Atom 1: HB3 CYS 38, Atom 2: HN GLY 39
 &rst iat=517, 524, r3=4.200000, r4=4.700000, &end
# Atom 1: HB3 CYS 38, Atom 2: HN ASN 40
 &rst iat=517, 531, r3=4.400000, r4=4.900000, &end
# Atom 1: HN GLY 39, Atom 2: HA2 GLY 39
 &rst iat=524, 526, r3=3.800000, r4=4.300000, &end
# Atom 1: HN GLY 39, Atom 2: HA3 GLY 39
 &rst iat=524, 527, r3=3.500000, r4=4.000000, &end
# Atom 1: HN GLY 39, Atom 2: HN ASN 40
 &rst iat=524, 531, r3=3.700000, r4=4.200000, &end
# Atom 1: HN GLY 39, Atom 2: HA ASN 40
 &rst iat=524, 533, r3=5.500000, r4=6.000000, &end
# Atom 1: HN GLY 39, Atom 2: HND1 ASN 40
 &rst iat=524, 540, r3=4.000000, r4=4.500000, &end
# Atom 1: HA2 GLY 39, Atom 2: HN ASN 40
 &rst iat=526, 531, r3=4.700000, r4=5.200000, &end
# Atom 1: HA2 GLY 39, Atom 2: HND2 ASN 40
 &rst iat=526, 541, r3=5.900000, r4=6.400000, &end
# Atom 1: HA3 GLY 39, Atom 2: HN ASN 40
 &rst iat=527, 531, r3=4.300000, r4=4.800000, &end
# Atom 1: HN ASN 40, Atom 2: HA ASN 40
 &rst iat=531, 533, r3=4.400000, r4=4.900000, &end
# Atom 1: HN ASN 40, Atom 2: HB2 ASN 40
 &rst iat=531, 535, r3=3.700000, r4=4.200000, &end
# Atom 1: HN ASN 40, Atom 2: HB3 ASN 40
 &rst iat=531, 536, r3=4.300000, r4=4.800000, &end
# Atom 1: HN ASN 40, Atom 2: HND1 ASN 40
 &rst iat=531, 540, r3=4.000000, r4=4.500000, &end
# Atom 1: HN ASN 40, Atom 2: HND2 ASN 40
 &rst iat=531, 541, r3=5.300000, r4=5.800000, &end
# Atom 1: HA ASN 40, Atom 2: HB2 ASN 40
 &rst iat=533, 535, r3=3.900000, r4=4.400000, &end
# Atom 1: HA ASN 40, Atom 2: HB3 ASN 40
 &rst iat=533, 536, r3=3.900000, r4=4.400000, &end
# Atom 1: HA ASN 40, Atom 2: HND1 ASN 40
 &rst iat=533, 540, r3=4.300000, r4=4.800000, &end
# Atom 1: HA ASN 40, Atom 2: HND2 ASN 40
 &rst iat=533, 541, r3=5.400000, r4=5.900000, &end
# Atom 1: HB2 ASN 40, Atom 2: HND1 ASN 40
 &rst iat=535, 540, r3=3.100000, r4=3.600000, &end
# Atom 1: HB2 ASN 40, Atom 2: HND2 ASN 40
 &rst iat=535, 541, r3=3.800000, r4=4.300000, &end
# Atom 1: HB3 ASN 40, Atom 2: HND1 ASN 40
 &rst iat=536, 540, r3=3.400000, r4=3.900000, &end
# Atom 1: HB3 ASN 40, Atom 2: HND2 ASN 40
 &rst iat=536, 541, r3=4.100000, r4=4.600000, &end
# Final blank line
 &rst iat=0, 0, r3=0, r4=0, &end

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLN   1          HN1       GLN   1  -1.026  -2.755  16.644
    2   2H    GLN   1          HN2       GLN   1  -1.300  -2.063  18.118
    3   3H    GLN   1          HN3       GLN   1  -2.159  -1.745  16.741
    4    HA   GLN   1           HA       GLN   1  -0.742   0.117  17.371
    5   1HB   GLN   1          HB2       GLN   1   1.185  -1.427  18.096
    6   2HB   GLN   1          HB3       GLN   1   1.539  -1.643  16.388
    7   1HG   GLN   1          HG2       GLN   1   1.558   1.152  16.566
    8   2HG   GLN   1          HG3       GLN   1   1.899   0.722  18.215
    9   1HE2  GLN   1          2HE2      GLN   1   3.096  -0.428  14.865
   10   2HE2  GLN   1          1HE2      GLN   1   4.736  -0.356  15.415
   11    H    ASN   2           HN       ASN   2   1.310  -0.035  15.012
   12    HA   ASN   2           HA       ASN   2  -0.554   0.323  12.730
   13   1HB   ASN   2          HB2       ASN   2   2.340   1.242  13.094
   14   2HB   ASN   2          HB3       ASN   2   1.298   1.573  11.714
   15   1HD2  ASN   2          1HD2      ASN   2  -1.122   2.402  13.041
   16   2HD2  ASN   2          2HD2      ASN   2  -0.741   3.851  13.952
   17    H    GLU   3           HN       GLU   3  -0.571  -1.993  13.333
   18    HA   GLU   3           HA       GLU   3   1.487  -3.751  13.488
   19   1HB   GLU   3          HB2       GLU   3  -1.394  -4.051  12.595
   20   2HB   GLU   3          HB3       GLU   3  -0.342  -5.469  12.691
   21   1HG   GLU   3          HG2       GLU   3  -0.065  -5.338  14.972
   22   2HG   GLU   3          HG3       GLU   3  -0.199  -3.580  15.006
   23    H    GLY   4           HN       GLY   4   0.700  -2.251  10.501
   24   1HA   GLY   4          HA2       GLY   4   2.223  -4.297   8.939
   25   2HA   GLY   4          HA3       GLY   4   1.347  -2.887   8.327
   26    H    HIS   5           HN       HIS   5   2.252  -0.851   8.427
   27    HA   HIS   5           HA       HIS   5   4.418   0.112   9.807
   28   1HB   HIS   5          HB2       HIS   5   6.243   0.102   8.199
   29   2HB   HIS   5          HB3       HIS   5   5.836  -1.563   8.527
   30    HD1  HIS   5           HD1      HIS   5   3.180  -0.799   6.238
   31    HD2  HIS   5           HD2      HIS   5   7.378  -1.031   5.914
   32    HE1  HIS   5           HE1      HIS   5   3.675  -1.247   3.833
   33    H    GLU   6           HN       GLU   6   5.387   1.954   7.937
   34    HA   GLU   6           HA       GLU   6   2.986   3.460   7.165
   35   1HB   GLU   6          HB2       GLU   6   5.936   4.102   6.816
   36   2HB   GLU   6          HB3       GLU   6   4.576   5.119   6.341
   37   1HG   GLU   6          HG2       GLU   6   4.005   4.373   9.027
   38   2HG   GLU   6          HG3       GLU   6   5.734   4.696   8.985
   39    H    CYS   7           HN       CYS   7   1.990   2.387   5.638
   40    HA   CYS   7           HA       CYS   7   2.953   0.830   3.524
   41   1HB   CYS   7          HB2       CYS   7   0.597   1.094   4.311
   42   2HB   CYS   7          HB3       CYS   7   0.573   2.675   3.598
   43    H    GLN   8           HN       GLN   8   1.791   4.127   3.198
   44    HA   GLN   8           HA       GLN   8   1.904   5.708   1.661
   45   1HB   GLN   8          HB2       GLN   8   4.876   5.196   1.568
   46   2HB   GLN   8          HB3       GLN   8   4.003   6.730   1.437
   47   1HG   GLN   8          HG2       GLN   8   4.428   5.008   3.909
   48   2HG   GLN   8          HG3       GLN   8   4.977   6.649   3.623
   49   1HE2  GLN   8          1HE2      GLN   8   2.374   4.738   5.000
   50   2HE2  GLN   8          2HE2      GLN   8   1.360   6.114   5.336
   51    H    CYS   9           HN       CYS   9   2.393   2.685   0.490
   52    HA   CYS   9           HA       CYS   9   3.147   2.450  -2.022
   53   1HB   CYS   9          HB2       CYS   9   0.503   1.774  -0.716
   54   2HB   CYS   9          HB3       CYS   9   0.878   1.166  -2.319
   55    H    GLN  10           HN       GLN  10   2.916   3.792  -3.840
   56    HA   GLN  10           HA       GLN  10   0.878   5.805  -4.016
   57   1HB   GLN  10          HB2       GLN  10   3.013   4.784  -5.855
   58   2HB   GLN  10          HB3       GLN  10   1.894   6.004  -6.416
   59   1HG   GLN  10          HG2       GLN  10   3.176   6.399  -3.791
   60   2HG   GLN  10          HG3       GLN  10   4.111   6.725  -5.245
   61   1HE2  GLN  10          1HE2      GLN  10   0.702   7.333  -5.521
   62   2HE2  GLN  10          2HE2      GLN  10   0.814   9.083  -5.405
   63    H    CYS  11           HN       CYS  11   0.004   2.817  -4.018
   64    HA   CYS  11           HA       CYS  11  -1.455   2.468  -6.545
   65   1HB   CYS  11          HB2       CYS  11  -0.734   0.843  -4.177
   66   2HB   CYS  11          HB3       CYS  11  -2.469   0.727  -4.530
   67    H    GLY  12           HN       GLY  12  -3.491   3.449  -6.800
   68   1HA   GLY  12          HA2       GLY  12  -4.829   5.079  -4.977
   69   2HA   GLY  12          HA3       GLY  12  -5.626   4.122  -6.238
   70    H    SER  13           HN       SER  13  -5.036   1.508  -5.347
   71    HA   SER  13           HA       SER  13  -7.139   0.953  -3.626
   72   1HB   SER  13          HB2       SER  13  -4.790  -0.915  -3.980
   73   2HB   SER  13          HB3       SER  13  -6.529  -1.257  -4.024
   74    HG   SER  13           HOG      SER  13  -5.702  -1.262  -6.143
   75    H    CYS  14           HN       CYS  14  -3.808   1.847  -2.938
   76    HA   CYS  14           HA       CYS  14  -4.020   1.068  -0.095
   77   1HB   CYS  14          HB2       CYS  14  -1.824   1.877  -2.019
   78   2HB   CYS  14          HB3       CYS  14  -1.637   2.122  -0.316
   79    H    LYS  15           HN       LYS  15  -3.283   3.886  -2.134
   80    HA   LYS  15           HA       LYS  15  -3.451   5.884  -0.106
   81   1HB   LYS  15          HB2       LYS  15  -3.250   5.853  -3.118
   82   2HB   LYS  15          HB3       LYS  15  -3.366   7.381  -2.244
   83   1HG   LYS  15          HG2       LYS  15  -1.414   5.391  -1.168
   84   2HG   LYS  15          HG3       LYS  15  -1.022   6.062  -2.747
   85   1HD   LYS  15          HD2       LYS  15  -1.811   7.913  -0.473
   86   2HD   LYS  15          HD3       LYS  15  -0.178   7.222  -0.524
   87   1HE   LYS  15          HE2       LYS  15   0.251   8.127  -2.733
   88   2HE   LYS  15          HE3       LYS  15  -1.406   8.737  -2.880
   89   1HZ   LYS  15          HNZ1      LYS  15   0.197  10.432  -2.281
   90   2HZ   LYS  15          HNZ2      LYS  15  -0.945  10.266  -1.110
   91   3HZ   LYS  15          HNZ3      LYS  15   0.568   9.649  -0.887
   92    H    ASN  16           HN       ASN  16  -5.548   5.001   0.605
   93    HA   ASN  16           HA       ASN  16  -7.716   6.822   0.033
   94   1HB   ASN  16          HB2       ASN  16  -9.344   5.321  -0.865
   95   2HB   ASN  16          HB3       ASN  16  -7.950   5.175  -1.922
   96   1HD2  ASN  16          1HD2      ASN  16  -6.489   3.387  -1.365
   97   2HD2  ASN  16          2HD2      ASN  16  -7.061   1.870  -0.687
   98    H    ASN  17           HN       ASN  17  -6.473   3.863   1.530
   99    HA   ASN  17           HA       ASN  17  -8.601   3.963   3.617
  100   1HB   ASN  17          HB2       ASN  17  -8.818   1.682   3.587
  101   2HB   ASN  17          HB3       ASN  17  -8.287   1.890   1.898
  102   1HD2  ASN  17          1HD2      ASN  17  -6.210   1.968   1.200
  103   2HD2  ASN  17          2HD2      ASN  17  -5.076   0.963   1.977
  104    H    GLU  18           HN       GLU  18  -7.679   5.124   5.254
  105    HA   GLU  18           HA       GLU  18  -4.963   5.065   5.868
  106   1HB   GLU  18          HB2       GLU  18  -7.384   5.800   7.536
  107   2HB   GLU  18          HB3       GLU  18  -5.730   5.985   8.133
  108   1HG   GLU  18          HG2       GLU  18  -5.105   7.402   6.253
  109   2HG   GLU  18          HG3       GLU  18  -6.675   7.184   5.480
  110    H    GLN  19           HN       GLN  19  -7.391   2.705   6.585
  111    HA   GLN  19           HA       GLN  19  -6.103   1.267   8.616
  112   1HB   GLN  19          HB2       GLN  19  -8.010   0.623   6.380
  113   2HB   GLN  19          HB3       GLN  19  -7.012  -0.733   6.887
  114   1HG   GLN  19          HG2       GLN  19  -8.784   0.885   8.754
  115   2HG   GLN  19          HG3       GLN  19  -9.089  -0.750   8.143
  116   1HE2  GLN  19          1HE2      GLN  19  -7.437   1.109  10.591
  117   2HE2  GLN  19          2HE2      GLN  19  -6.471  -0.202  11.239
  118    H    CYS  20           HN       CYS  20  -5.577   0.816   5.019
  119    HA   CYS  20           HA       CYS  20  -3.428  -0.963   5.641
  120   1HB   CYS  20          HB2       CYS  20  -3.176  -1.381   3.561
  121   2HB   CYS  20          HB3       CYS  20  -4.703  -0.508   3.243
  122    H    GLN  21           HN       GLN  21  -3.659   2.561   5.076
  123    HA   GLN  21           HA       GLN  21  -1.095   3.130   4.564
  124   1HB   GLN  21          HB2       GLN  21  -2.969   4.584   6.387
  125   2HB   GLN  21          HB3       GLN  21  -1.427   5.280   5.918
  126   1HG   GLN  21          HG2       GLN  21  -3.717   4.537   4.081
  127   2HG   GLN  21          HG3       GLN  21  -3.139   6.128   4.474
  128   1HE2  GLN  21          1HE2      GLN  21  -2.981   3.497   2.417
  129   2HE2  GLN  21          2HE2      GLN  21  -1.555   3.916   1.453
  130    H    LYS  22           HN       LYS  22  -2.279   2.286   7.725
  131    HA   LYS  22           HA       LYS  22   0.496   2.288   8.788
  132   1HB   LYS  22          HB2       LYS  22  -2.159   2.197  10.244
  133   2HB   LYS  22          HB3       LYS  22  -0.589   2.637  10.910
  134   1HG   LYS  22          HG2       LYS  22  -1.999   4.340   8.841
  135   2HG   LYS  22          HG3       LYS  22  -2.276   4.459  10.527
  136   1HD   LYS  22          HD2       LYS  22  -0.764   6.124  10.259
  137   2HD   LYS  22          HD3       LYS  22   0.314   4.827  10.786
  138   1HE   LYS  22          HE2       LYS  22   1.095   4.477   8.507
  139   2HE   LYS  22          HE3       LYS  22  -0.219   5.472   7.843
  140   1HZ   LYS  22          HNZ1      LYS  22   1.827   6.678   7.846
  141   2HZ   LYS  22          HNZ2      LYS  22   0.825   7.394   8.931
  142   3HZ   LYS  22          HNZ3      LYS  22   2.099   6.464   9.396
  143    H    SER  23           HN       SER  23  -2.187   0.214   7.899
  144    HA   SER  23           HA       SER  23  -0.845  -2.167   9.100
  145   1HB   SER  23          HB2       SER  23  -3.097  -1.378  10.099
  146   2HB   SER  23          HB3       SER  23  -3.816  -1.969   8.595
  147    HG   SER  23           HOG      SER  23  -2.252  -3.452  10.462
  148    H    CYS  24           HN       CYS  24   0.186  -1.505   6.791
  149    HA   CYS  24           HA       CYS  24  -1.107  -3.160   4.649
  150   1HB   CYS  24          HB2       CYS  24  -0.663  -0.944   3.863
  151   2HB   CYS  24          HB3       CYS  24   0.933  -0.963   4.628
  152    H    SER  25           HN       SER  25   0.293  -4.724   3.622
  153    HA   SER  25           HA       SER  25   2.790  -5.504   5.086
  154   1HB   SER  25          HB2       SER  25   0.710  -7.385   3.906
  155   2HB   SER  25          HB3       SER  25   2.113  -7.803   4.903
  156    HG   SER  25           HOG      SER  25   1.084  -6.456   6.570
  157    H    CYS  26           HN       CYS  26   2.991  -3.811   2.922
  158    HA   CYS  26           HA       CYS  26   3.915  -5.584   0.707
  159   1HB   CYS  26          HB2       CYS  26   3.036  -2.677   0.518
  160   2HB   CYS  26          HB3       CYS  26   3.459  -3.744  -0.805
  161    HA   PRO  27           HA       PRO  27   7.843  -3.578   1.351
  162   1HB   PRO  27          HB2       PRO  27   9.088  -3.804  -1.024
  163   2HB   PRO  27          HB3       PRO  27   8.774  -5.185   0.075
  164   1HG   PRO  27          HG2       PRO  27   7.198  -4.266  -2.309
  165   2HG   PRO  27          HG3       PRO  27   7.752  -5.920  -1.846
  166   1HD   PRO  27          HD2       PRO  27   5.195  -4.981  -1.382
  167   2HD   PRO  27          HD3       PRO  27   5.967  -6.198  -0.338
  168    H    THR  28           HN       THR  28   9.118  -1.756   0.404
  169    HA   THR  28           HA       THR  28   7.528   0.569   0.169
  170    HB   THR  28           HB       THR  28   9.699   0.582   1.230
  171    HG1  THR  28           HG1      THR  28   8.887   2.533   0.343
  172   1HG2  THR  28          1HG2      THR  28  11.750   0.566  -0.095
  173   2HG2  THR  28          2HG2      THR  28  10.811   0.318  -1.582
  174   3HG2  THR  28          3HG2      THR  28  10.864  -0.954  -0.338
  175    H    GLY  29           HN       GLY  29   8.933  -1.464  -2.150
  176   1HA   GLY  29          HA2       GLY  29   8.796   0.114  -4.517
  177   2HA   GLY  29          HA3       GLY  29   8.835  -1.655  -4.412
  178    H    CYS  30           HN       CYS  30   6.124  -1.228  -2.629
  179    HA   CYS  30           HA       CYS  30   4.522  -2.076  -4.884
  180   1HB   CYS  30          HB2       CYS  30   4.142  -3.157  -2.878
  181   2HB   CYS  30          HB3       CYS  30   3.969  -1.648  -1.961
  182    H    ASN  31           HN       ASN  31   4.679  -0.260  -6.236
  183    HA   ASN  31           HA       ASN  31   2.694   1.903  -5.618
  184   1HB   ASN  31          HB2       ASN  31   5.339   2.108  -7.090
  185   2HB   ASN  31          HB3       ASN  31   4.199   3.409  -6.915
  186   1HD2  ASN  31          1HD2      ASN  31   6.408   1.342  -5.311
  187   2HD2  ASN  31          2HD2      ASN  31   6.564   2.238  -3.794
  188    H    SER  32           HN       SER  32   1.890  -0.508  -6.687
  189    HA   SER  32           HA       SER  32   0.919   0.057  -9.314
  190   1HB   SER  32          HB2       SER  32   3.028  -2.163  -9.056
  191   2HB   SER  32          HB3       SER  32   2.076  -1.795 -10.500
  192    HG   SER  32           HOG      SER  32   3.251   0.455  -9.857
  193    H    ASP  33           HN       ASP  33  -0.885  -1.341  -9.674
  194    HA   ASP  33           HA       ASP  33  -1.945  -2.625  -7.321
  195   1HB   ASP  33          HB2       ASP  33  -3.831  -3.093  -8.831
  196   2HB   ASP  33          HB3       ASP  33  -3.382  -1.384  -8.820
  197    H    ASP  34           HN       ASP  34  -0.852  -3.562 -10.543
  198    HA   ASP  34           HA       ASP  34  -0.805  -6.261 -10.721
  199   1HB   ASP  34          HB2       ASP  34   0.251  -4.770 -12.350
  200   2HB   ASP  34          HB3       ASP  34   1.567  -4.406 -11.223
  201    H    LYS  35           HN       LYS  35   1.541  -4.423  -8.757
  202    HA   LYS  35           HA       LYS  35   2.269  -6.932  -7.280
  203   1HB   LYS  35          HB2       LYS  35   4.012  -4.489  -7.804
  204   2HB   LYS  35          HB3       LYS  35   4.410  -5.909  -6.821
  205   1HG   LYS  35          HG2       LYS  35   3.670  -7.136  -9.142
  206   2HG   LYS  35          HG3       LYS  35   4.335  -5.632  -9.786
  207   1HD   LYS  35          HD2       LYS  35   6.416  -6.048  -8.401
  208   2HD   LYS  35          HD3       LYS  35   5.675  -7.562  -7.826
  209   1HE   LYS  35          HE2       LYS  35   5.496  -8.295 -10.266
  210   2HE   LYS  35          HE3       LYS  35   6.467  -6.879 -10.696
  211   1HZ   LYS  35          HNZ1      LYS  35   8.212  -7.757  -9.255
  212   2HZ   LYS  35          HNZ2      LYS  35   7.293  -9.082  -8.914
  213   3HZ   LYS  35          HNZ3      LYS  35   7.826  -8.825 -10.448
  214    H    CYS  36           HN       CYS  36  -0.047  -5.674  -6.525
  215    HA   CYS  36           HA       CYS  36   0.769  -4.347  -3.976
  216   1HB   CYS  36          HB2       CYS  36  -0.814  -3.153  -5.391
  217   2HB   CYS  36          HB3       CYS  36  -1.957  -4.501  -5.238
  218    HA   PRO  37           HA       PRO  37  -0.310  -8.482  -2.398
  219   1HB   PRO  37          HB2       PRO  37   1.564  -8.712  -0.448
  220   2HB   PRO  37          HB3       PRO  37   1.783  -9.073  -2.180
  221   1HG   PRO  37          HG2       PRO  37   2.679  -6.625  -0.700
  222   2HG   PRO  37          HG3       PRO  37   3.485  -7.585  -1.975
  223   1HD   PRO  37          HD2       PRO  37   2.083  -5.200  -2.404
  224   2HD   PRO  37          HD3       PRO  37   2.486  -6.403  -3.605
  225    H    CYS  38           HN       CYS  38  -0.889  -5.437  -1.424
  226    HA   CYS  38           HA       CYS  38  -1.138  -5.370   1.334
  227   1HB   CYS  38          HB2       CYS  38  -1.387  -3.399  -0.156
  228   2HB   CYS  38          HB3       CYS  38  -2.957  -4.023  -0.697
  229    H    GLY  39           HN       GLY  39  -2.481  -6.273   2.821
  230   1HA   GLY  39          HA2       GLY  39  -4.762  -7.943   1.956
  231   2HA   GLY  39          HA3       GLY  39  -4.077  -7.795   3.577
  232    H    ASN  40           HN       ASN  40  -5.235  -5.175   1.330
  233    HA   ASN  40           HA       ASN  40  -7.680  -4.691   2.708
  234   1HB   ASN  40          HB2       ASN  40  -5.477  -2.578   2.815
  235   2HB   ASN  40          HB3       ASN  40  -7.162  -2.310   3.200
  236   1HD2  ASN  40          1HD2      ASN  40  -4.131  -3.483   4.347
  237   2HD2  ASN  40          2HD2      ASN  40  -4.577  -3.689   6.024