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1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 | data_unknown_id
#
_entry.id unknown_id
_entry.author kdidi
_entry.date 2026-07-23
_entry.time 10:59:34
#
loop_
_entity.id
_entity.type
_entity.pdbx_description
1 polymer .
2 polymer .
#
loop_
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.pdbx_seq_one_letter_code
_entity_poly.pdbx_seq_one_letter_code_can
_entity_poly.pdbx_strand_id
_entity_poly.pdbx_target_identifier
1 polypeptide(L) no no
;NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGN
AALQITDVKLQDAGVYRCMISYGGADYKRITVKVN
;
;NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGN
AALQITDVKLQDAGVYRCMISYGGADYKRITVKVN
;
A ?
2 polypeptide(L) no yes X X B ?
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n ASN 17
1 n ALA 18
1 n PHE 19
1 n THR 20
1 n VAL 21
1 n THR 22
1 n VAL 23
1 n PRO 24
1 n LYS 25
1 n ASP 26
1 n LEU 27
1 n TYR 28
1 n VAL 29
1 n VAL 30
1 n GLU 31
1 n TYR 32
1 n GLY 33
1 n SER 34
1 n ASN 35
1 n MET 36
1 n THR 37
1 n ILE 38
1 n GLU 39
1 n CYS 40
1 n LYS 41
1 n PHE 42
1 n PRO 43
1 n VAL 44
1 n GLU 45
1 n LYS 46
1 n GLN 47
1 n LEU 48
1 n ASP 49
1 n LEU 50
1 n ALA 51
1 n ALA 52
1 n LEU 53
1 n ILE 54
1 n VAL 55
1 n TYR 56
1 n TRP 57
1 n GLU 58
1 n MET 59
1 n GLU 60
1 n ASP 61
1 n LYS 62
1 n ASN 63
1 n ILE 64
1 n ILE 65
1 n GLN 66
1 n PHE 67
1 n VAL 68
1 n HIS 69
1 n GLY 70
1 n GLU 71
1 n GLU 72
1 n ASP 73
1 n LEU 74
1 n LYS 75
1 n VAL 76
1 n GLN 77
1 n HIS 78
1 n SER 79
1 n SER 80
1 n TYR 81
1 n ARG 82
1 n GLN 83
1 n ARG 84
1 n ALA 85
1 n ARG 86
1 n LEU 87
1 n LEU 88
1 n LYS 89
1 n ASP 90
1 n GLN 91
1 n LEU 92
1 n SER 93
1 n LEU 94
1 n GLY 95
1 n ASN 96
1 n ALA 97
1 n ALA 98
1 n LEU 99
1 n GLN 100
1 n ILE 101
1 n THR 102
1 n ASP 103
1 n VAL 104
1 n LYS 105
1 n LEU 106
1 n GLN 107
1 n ASP 108
1 n ALA 109
1 n GLY 110
1 n VAL 111
1 n TYR 112
1 n ARG 113
1 n CYS 114
1 n MET 115
1 n ILE 116
1 n SER 117
1 n TYR 118
1 n GLY 119
1 n GLY 120
1 n ALA 121
1 n ASP 122
1 n TYR 123
1 n LYS 124
1 n ARG 125
1 n ILE 126
1 n THR 127
1 n VAL 128
1 n LYS 129
1 n VAL 130
1 n ASN 131
2 n 50-120 1
#
loop_
_chem_comp.id
_chem_comp.name
_chem_comp.type
_chem_comp.formula
_chem_comp.mon_nstd_parent_comp_id
_chem_comp.pdbx_synonyms
_chem_comp.formula_weight
50-120 50-120 NON-POLYMER ? ? ? ?
ALA ALA 'L-PEPTIDE LINKING' ? ? ? ?
ARG ARG 'L-PEPTIDE LINKING' ? ? ? ?
ASN ASN 'L-PEPTIDE LINKING' ? ? ? ?
ASP ASP 'L-PEPTIDE LINKING' ? ? ? ?
CYS CYS 'L-PEPTIDE LINKING' ? ? ? ?
GLN GLN 'L-PEPTIDE LINKING' ? ? ? ?
GLU GLU 'L-PEPTIDE LINKING' ? ? ? ?
GLY GLY 'PEPTIDE LINKING' ? ? ? ?
HIS HIS 'L-PEPTIDE LINKING' ? ? ? ?
ILE ILE 'L-PEPTIDE LINKING' ? ? ? ?
LEU LEU 'L-PEPTIDE LINKING' ? ? ? ?
LYS LYS 'L-PEPTIDE LINKING' ? ? ? ?
MET MET 'L-PEPTIDE LINKING' ? ? ? ?
PHE PHE 'L-PEPTIDE LINKING' ? ? ? ?
PRO PRO 'L-PEPTIDE LINKING' ? ? ? ?
SER SER 'L-PEPTIDE LINKING' ? ? ? ?
THR THR 'L-PEPTIDE LINKING' ? ? ? ?
TRP TRP 'L-PEPTIDE LINKING' ? ? ? ?
TYR TYR 'L-PEPTIDE LINKING' ? ? ? ?
VAL VAL 'L-PEPTIDE LINKING' ? ? ? ?
#
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
ALA N CA SING N
ALA N H SING N
ALA N H2 SING N
ALA CA C SING N
ALA CA CB SING N
ALA CA HA SING N
ALA C O DOUB N
ALA C OXT SING N
ALA CB HB1 SING N
ALA CB HB2 SING N
ALA CB HB3 SING N
ALA OXT HXT SING N
ARG N CA SING N
ARG N H SING N
ARG N H2 SING N
ARG CA C SING N
ARG CA CB SING N
ARG CA HA SING N
ARG C O DOUB N
ARG C OXT SING N
ARG CB CG SING N
ARG CB HB2 SING N
ARG CB HB3 SING N
ARG CG CD SING N
ARG CG HG2 SING N
ARG CG HG3 SING N
ARG CD NE SING N
ARG CD HD2 SING N
ARG CD HD3 SING N
ARG NE CZ SING N
ARG NE HE SING N
ARG CZ NH1 SING N
ARG CZ NH2 DOUB N
ARG NH1 HH11 SING N
ARG NH1 HH12 SING N
ARG NH2 HH21 SING N
ARG NH2 HH22 SING N
ARG OXT HXT SING N
ASN N CA SING N
ASN N H SING N
ASN N H2 SING N
ASN CA C SING N
ASN CA CB SING N
ASN CA HA SING N
ASN C O DOUB N
ASN C OXT SING N
ASN CB CG SING N
ASN CB HB2 SING N
ASN CB HB3 SING N
ASN CG OD1 DOUB N
ASN CG ND2 SING N
ASN ND2 HD21 SING N
ASN ND2 HD22 SING N
ASN OXT HXT SING N
ASP N CA SING N
ASP N H SING N
ASP N H2 SING N
ASP CA C SING N
ASP CA CB SING N
ASP CA HA SING N
ASP C O DOUB N
ASP C OXT SING N
ASP CB CG SING N
ASP CB HB2 SING N
ASP CB HB3 SING N
ASP CG OD1 DOUB N
ASP CG OD2 SING N
ASP OD2 HD2 SING N
ASP OXT HXT SING N
CYS N CA SING N
CYS N H SING N
CYS N H2 SING N
CYS CA C SING N
CYS CA CB SING N
CYS CA HA SING N
CYS C O DOUB N
CYS C OXT SING N
CYS CB SG SING N
CYS CB HB2 SING N
CYS CB HB3 SING N
CYS SG HG SING N
CYS OXT HXT SING N
GLN N CA SING N
GLN N H SING N
GLN N H2 SING N
GLN CA C SING N
GLN CA CB SING N
GLN CA HA SING N
GLN C O DOUB N
GLN C OXT SING N
GLN CB CG SING N
GLN CB HB2 SING N
GLN CB HB3 SING N
GLN CG CD SING N
GLN CG HG2 SING N
GLN CG HG3 SING N
GLN CD OE1 DOUB N
GLN CD NE2 SING N
GLN NE2 HE21 SING N
GLN NE2 HE22 SING N
GLN OXT HXT SING N
GLU N CA SING N
GLU N H SING N
GLU N H2 SING N
GLU CA C SING N
GLU CA CB SING N
GLU CA HA SING N
GLU C O DOUB N
GLU C OXT SING N
GLU CB CG SING N
GLU CB HB2 SING N
GLU CB HB3 SING N
GLU CG CD SING N
GLU CG HG2 SING N
GLU CG HG3 SING N
GLU CD OE1 DOUB N
GLU CD OE2 SING N
GLU OE2 HE2 SING N
GLU OXT HXT SING N
GLY N CA SING N
GLY N H SING N
GLY N H2 SING N
GLY CA C SING N
GLY CA HA2 SING N
GLY CA HA3 SING N
GLY C O DOUB N
GLY C OXT SING N
GLY OXT HXT SING N
HIS N CA SING N
HIS N H SING N
HIS N H2 SING N
HIS CA C SING N
HIS CA CB SING N
HIS CA HA SING N
HIS C O DOUB N
HIS C OXT SING N
HIS CB CG SING N
HIS CB HB2 SING N
HIS CB HB3 SING N
HIS CG ND1 SING Y
HIS CG CD2 DOUB Y
HIS ND1 CE1 DOUB Y
HIS ND1 HD1 SING N
HIS CD2 NE2 SING Y
HIS CD2 HD2 SING N
HIS CE1 NE2 SING Y
HIS CE1 HE1 SING N
HIS NE2 HE2 SING N
HIS OXT HXT SING N
ILE N CA SING N
ILE N H SING N
ILE N H2 SING N
ILE CA C SING N
ILE CA CB SING N
ILE CA HA SING N
ILE C O DOUB N
ILE C OXT SING N
ILE CB CG1 SING N
ILE CB CG2 SING N
ILE CB HB SING N
ILE CG1 CD1 SING N
ILE CG1 HG12 SING N
ILE CG1 HG13 SING N
ILE CG2 HG21 SING N
ILE CG2 HG22 SING N
ILE CG2 HG23 SING N
ILE CD1 HD11 SING N
ILE CD1 HD12 SING N
ILE CD1 HD13 SING N
ILE OXT HXT SING N
LEU N CA SING N
LEU N H SING N
LEU N H2 SING N
LEU CA C SING N
LEU CA CB SING N
LEU CA HA SING N
LEU C O DOUB N
LEU C OXT SING N
LEU CB CG SING N
LEU CB HB2 SING N
LEU CB HB3 SING N
LEU CG CD1 SING N
LEU CG CD2 SING N
LEU CG HG SING N
LEU CD1 HD11 SING N
LEU CD1 HD12 SING N
LEU CD1 HD13 SING N
LEU CD2 HD21 SING N
LEU CD2 HD22 SING N
LEU CD2 HD23 SING N
LEU OXT HXT SING N
LYS N CA SING N
LYS N H SING N
LYS N H2 SING N
LYS CA C SING N
LYS CA CB SING N
LYS CA HA SING N
LYS C O DOUB N
LYS C OXT SING N
LYS CB CG SING N
LYS CB HB2 SING N
LYS CB HB3 SING N
LYS CG CD SING N
LYS CG HG2 SING N
LYS CG HG3 SING N
LYS CD CE SING N
LYS CD HD2 SING N
LYS CD HD3 SING N
LYS CE NZ SING N
LYS CE HE2 SING N
LYS CE HE3 SING N
LYS NZ HZ1 SING N
LYS NZ HZ2 SING N
LYS NZ HZ3 SING N
LYS OXT HXT SING N
MET N CA SING N
MET N H SING N
MET N H2 SING N
MET CA C SING N
MET CA CB SING N
MET CA HA SING N
MET C O DOUB N
MET C OXT SING N
MET CB CG SING N
MET CB HB2 SING N
MET CB HB3 SING N
MET CG SD SING N
MET CG HG2 SING N
MET CG HG3 SING N
MET SD CE SING N
MET CE HE1 SING N
MET CE HE2 SING N
MET CE HE3 SING N
MET OXT HXT SING N
PHE N CA SING N
PHE N H SING N
PHE N H2 SING N
PHE CA C SING N
PHE CA CB SING N
PHE CA HA SING N
PHE C O DOUB N
PHE C OXT SING N
PHE CB CG SING N
PHE CB HB2 SING N
PHE CB HB3 SING N
PHE CG CD1 DOUB Y
PHE CG CD2 SING Y
PHE CD1 CE1 SING Y
PHE CD1 HD1 SING N
PHE CD2 CE2 DOUB Y
PHE CD2 HD2 SING N
PHE CE1 CZ DOUB Y
PHE CE1 HE1 SING N
PHE CE2 CZ SING Y
PHE CE2 HE2 SING N
PHE CZ HZ SING N
PHE OXT HXT SING N
PRO N CA SING N
PRO N CD SING N
PRO N H SING N
PRO CA C SING N
PRO CA CB SING N
PRO CA HA SING N
PRO C O DOUB N
PRO C OXT SING N
PRO CB CG SING N
PRO CB HB2 SING N
PRO CB HB3 SING N
PRO CG CD SING N
PRO CG HG2 SING N
PRO CG HG3 SING N
PRO CD HD2 SING N
PRO CD HD3 SING N
PRO OXT HXT SING N
SER N CA SING N
SER N H SING N
SER N H2 SING N
SER CA C SING N
SER CA CB SING N
SER CA HA SING N
SER C O DOUB N
SER C OXT SING N
SER CB OG SING N
SER CB HB2 SING N
SER CB HB3 SING N
SER OG HG SING N
SER OXT HXT SING N
THR N CA SING N
THR N H SING N
THR N H2 SING N
THR CA C SING N
THR CA CB SING N
THR CA HA SING N
THR C O DOUB N
THR C OXT SING N
THR CB OG1 SING N
THR CB CG2 SING N
THR CB HB SING N
THR OG1 HG1 SING N
THR CG2 HG21 SING N
THR CG2 HG22 SING N
THR CG2 HG23 SING N
THR OXT HXT SING N
TRP N CA SING N
TRP N H SING N
TRP N H2 SING N
TRP CA C SING N
TRP CA CB SING N
TRP CA HA SING N
TRP C O DOUB N
TRP C OXT SING N
TRP CB CG SING N
TRP CB HB2 SING N
TRP CB HB3 SING N
TRP CG CD1 DOUB Y
TRP CG CD2 SING Y
TRP CD1 NE1 SING Y
TRP CD1 HD1 SING N
TRP CD2 CE2 DOUB Y
TRP CD2 CE3 SING Y
TRP NE1 CE2 SING Y
TRP NE1 HE1 SING N
TRP CE2 CZ2 SING Y
TRP CE3 CZ3 DOUB Y
TRP CE3 HE3 SING N
TRP CZ2 CH2 DOUB Y
TRP CZ2 HZ2 SING N
TRP CZ3 CH2 SING Y
TRP CZ3 HZ3 SING N
TRP CH2 HH2 SING N
TRP OXT HXT SING N
TYR N CA SING N
TYR N H SING N
TYR N H2 SING N
TYR CA C SING N
TYR CA CB SING N
TYR CA HA SING N
TYR C O DOUB N
TYR C OXT SING N
TYR CB CG SING N
TYR CB HB2 SING N
TYR CB HB3 SING N
TYR CG CD1 DOUB Y
TYR CG CD2 SING Y
TYR CD1 CE1 SING Y
TYR CD1 HD1 SING N
TYR CD2 CE2 DOUB Y
TYR CD2 HD2 SING N
TYR CE1 CZ DOUB Y
TYR CE1 HE1 SING N
TYR CE2 CZ SING Y
TYR CE2 HE2 SING N
TYR CZ OH SING N
TYR OH HH SING N
TYR OXT HXT SING N
VAL N CA SING N
VAL N H SING N
VAL N H2 SING N
VAL CA C SING N
VAL CA CB SING N
VAL CA HA SING N
VAL C O DOUB N
VAL C OXT SING N
VAL CB CG1 SING N
VAL CB CG2 SING N
VAL CB HB SING N
VAL CG1 HG11 SING N
VAL CG1 HG12 SING N
VAL CG1 HG13 SING N
VAL CG2 HG21 SING N
VAL CG2 HG22 SING N
VAL CG2 HG23 SING N
VAL OXT HXT SING N
#
loop_
_atom_site.group_PDB
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.id
_atom_site.B_iso_or_equiv
_atom_site.occupancy
_atom_site.pdbx_formal_charge
_atom_site.annotation_expsegmax_1_residue
_atom_site.annotation_expsegmin_1_residue
_atom_site.mask_coordinate_1_atom
_atom_site.mask_expsegmax_1_residue
_atom_site.mask_expsegmin_1_residue
_atom_site.mask_hotspot_1_atom
_atom_site.mask_sequence_1_residue
_atom_site.atom_array_index
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.pdbx_PDB_model_num
ATOM N N . ASN A 1 17 . 17 ASN A N 0 35.37 0.49 ? -1 -1 True False False False True 0 -9.303 10.579 -19.959 1
ATOM C CA . ASN A 1 17 . 17 ASN A CA 1 35.38 0.64 ? -1 -1 True False False False True 1 -9.296 10.996 -18.55 1
ATOM C C . ASN A 1 17 . 17 ASN A C 2 35.58 0.74 ? -1 -1 True False False False True 2 -7.888 10.876 -17.974 1
ATOM O O . ASN A 1 17 . 17 ASN A O 3 37.7 0.77 ? -1 -1 True False False False True 3 -7.184 9.93 -18.304 1
ATOM C CB . ASN A 1 17 . 17 ASN A CB 4 35.11 0.53 ? -1 -1 True False False False True 4 -10.309 10.349 -17.623 1
ATOM C CG . ASN A 1 17 . 17 ASN A CG 5 0.0 0.0 ? -1 -1 True False False False True 5 -11.333 11.326 -17.115 1
ATOM O OD1 . ASN A 1 17 . 17 ASN A OD1 6 0.0 0.0 ? -1 -1 True False False False True 6 -11.125 12.544 -17.164 1
ATOM N ND2 . ASN A 1 17 . 17 ASN A ND2 7 0.0 0.0 ? -1 -1 True False False False True 7 -12.434 10.816 -16.626 1
ATOM N N . ALA A 1 18 . 18 ALA A N 8 32.79 0.81 ? -1 -1 True False False False True 8 -7.47 11.865 -17.178 1
ATOM C CA . ALA A 1 18 . 18 ALA A CA 9 29.91 0.59 ? -1 -1 True False False False True 9 -6.133 11.86 -16.604 1
ATOM C C . ALA A 1 18 . 18 ALA A C 10 25.42 1.0 ? -1 -1 True False False False True 10 -5.967 10.66 -15.689 1
ATOM O O . ALA A 1 18 . 18 ALA A O 11 25.03 0.71 ? -1 -1 True False False False True 11 -6.934 10.144 -15.122 1
ATOM C CB . ALA A 1 18 . 18 ALA A CB 12 31.08 0.65 ? -1 -1 True False False False True 12 -5.918 13.113 -15.767 1
ATOM N N . PHE A 1 19 . 19 PHE A N 13 21.85 1.0 ? -1 -1 True False False False True 13 -4.709 10.28 -15.463 1
ATOM C CA . PHE A 1 19 . 19 PHE A CA 14 17.43 1.0 ? -1 -1 True False False False True 14 -4.39 9.142 -14.619 1
ATOM C C . PHE A 1 19 . 19 PHE A C 15 17.56 1.0 ? -1 -1 True False False False True 15 -4.765 9.44 -13.185 1
ATOM O O . PHE A 1 19 . 19 PHE A O 16 20.44 1.0 ? -1 -1 True False False False True 16 -4.312 10.446 -12.582 1
ATOM C CB . PHE A 1 19 . 19 PHE A CB 17 16.11 1.0 ? -1 -1 True False False False True 17 -2.888 8.892 -14.682 1
ATOM C CG . PHE A 1 19 . 19 PHE A CG 18 12.78 1.0 ? -1 -1 True False False False True 18 -2.445 7.711 -13.86 1
ATOM C CD1 . PHE A 1 19 . 19 PHE A CD1 19 11.93 1.0 ? -1 -1 True False False False True 19 -2.471 6.462 -14.379 1
ATOM C CD2 . PHE A 1 19 . 19 PHE A CD2 20 13.38 1.0 ? -1 -1 True False False False True 20 -2.027 7.863 -12.541 1
ATOM C CE1 . PHE A 1 19 . 19 PHE A CE1 21 12.13 1.0 ? -1 -1 True False False False True 21 -2.088 5.406 -13.656 1
ATOM C CE2 . PHE A 1 19 . 19 PHE A CE2 22 12.47 1.0 ? -1 -1 True False False False True 22 -1.61 6.811 -11.832 1
ATOM C CZ . PHE A 1 19 . 19 PHE A CZ 23 11.34 1.0 ? -1 -1 True False False False True 23 -1.631 5.569 -12.387 1
ATOM N N . THR A 1 20 . 20 THR A N 24 15.36 0.75 ? -1 -1 True False False False True 24 -5.639 8.605 -12.637 1
ATOM C CA . THR A 1 20 . 20 THR A CA 25 15.71 0.75 ? -1 -1 True False False False True 25 -6.181 8.847 -11.309 1
ATOM C C . THR A 1 20 . 20 THR A C 26 15.03 0.75 ? -1 -1 True False False False True 26 -6.117 7.574 -10.491 1
ATOM O O . THR A 1 20 . 20 THR A O 27 16.86 0.75 ? -1 -1 True False False False True 27 -6.518 6.5 -10.967 1
ATOM C CB . THR A 1 20 . 20 THR A CB 28 18.6 0.75 ? -1 -1 True False False False True 28 -7.677 9.267 -11.378 1
ATOM O OG1 . THR A 1 20 . 20 THR A OG1 29 21.81 0.75 ? -1 -1 True False False False True 29 -7.853 10.373 -12.282 1
ATOM C CG2 . THR A 1 20 . 20 THR A CG2 30 17.63 0.75 ? -1 -1 True False False False True 30 -8.192 9.713 -10.034 1
ATOM N N . VAL A 1 21 . 21 VAL A N 31 13.59 1.0 ? -1 -1 True False False False True 31 -5.629 7.699 -9.272 1
ATOM C CA . VAL A 1 21 . 21 VAL A CA 32 11.59 1.0 ? -1 -1 True False False False True 32 -5.688 6.641 -8.285 1
ATOM C C . VAL A 1 21 . 21 VAL A C 33 11.76 0.92 ? -1 -1 True False False False True 33 -6.967 6.83 -7.469 1
ATOM O O . VAL A 1 21 . 21 VAL A O 34 12.37 0.92 ? -1 -1 True False False False True 34 -7.261 7.967 -7.086 1
ATOM C CB . VAL A 1 21 . 21 VAL A CB 35 11.7 0.97 ? -1 -1 True False False False True 35 -4.44 6.689 -7.403 1
ATOM C CG1 . VAL A 1 21 . 21 VAL A CG1 36 10.97 0.81 ? -1 -1 True False False False True 36 -4.566 5.803 -6.175 1
ATOM C CG2 . VAL A 1 21 . 21 VAL A CG2 37 11.54 0.81 ? -1 -1 True False False False True 37 -3.194 6.274 -8.211 1
ATOM N N . THR A 1 22 . 22 THR A N 38 12.74 1.0 ? -1 -1 True False False False True 38 -7.738 5.741 -7.248 1
ATOM C CA . THR A 1 22 . 22 THR A CA 39 13.2 1.0 ? -1 -1 True False False False True 39 -8.989 5.779 -6.522 1
ATOM C C . THR A 1 22 . 22 THR A C 40 11.76 1.0 ? -1 -1 True False False False True 40 -8.83 4.963 -5.245 1
ATOM O O . THR A 1 22 . 22 THR A O 41 11.51 1.0 ? -1 -1 True False False False True 41 -7.996 4.067 -5.146 1
ATOM C CB . THR A 1 22 . 22 THR A CB 42 14.85 1.0 ? -1 -1 True False False False True 42 -10.219 5.276 -7.376 1
ATOM O OG1 . THR A 1 22 . 22 THR A OG1 43 16.97 1.0 ? -1 -1 True False False False True 43 -10.185 3.852 -7.553 1
ATOM C CG2 . THR A 1 22 . 22 THR A CG2 44 18.05 1.0 ? -1 -1 True False False False True 44 -10.383 6.023 -8.651 1
ATOM N N . VAL A 1 23 . 23 VAL A N 45 12.34 0.97 ? -1 -1 True False False False True 45 -9.676 5.249 -4.271 1
ATOM C CA . VAL A 1 23 . 23 VAL A CA 46 11.79 1.0 ? -1 -1 True False False False True 46 -9.742 4.453 -3.072 1
ATOM C C . VAL A 1 23 . 23 VAL A C 47 11.86 1.0 ? -1 -1 True False False False True 47 -11.162 3.919 -2.893 1
ATOM O O . VAL A 1 23 . 23 VAL A O 48 13.17 0.92 ? -1 -1 True False False False True 48 -12.137 4.689 -3.022 1
ATOM C CB . VAL A 1 23 . 23 VAL A CB 49 11.76 0.92 ? -1 -1 True False False False True 49 -9.304 5.181 -1.8 1
ATOM C CG1 . VAL A 1 23 . 23 VAL A CG1 50 11.28 0.75 ? -1 -1 True False False False True 50 -7.818 5.433 -1.889 1
ATOM C CG2 . VAL A 1 23 . 23 VAL A CG2 51 12.46 0.78 ? -1 -1 True False False False True 51 -10.124 6.45 -1.536 1
ATOM N N . PRO A 1 24 . 24 PRO A N 52 11.79 0.53 ? -1 -1 True False False False True 52 -11.331 2.693 -2.465 1
ATOM C CA . PRO A 1 24 . 24 PRO A CA 53 11.57 0.53 ? -1 -1 True False False False True 53 -12.705 2.25 -2.177 1
ATOM C C . PRO A 1 24 . 24 PRO A C 54 9.93 0.53 ? -1 -1 True False False False True 54 -13.286 2.942 -0.998 1
ATOM O O . PRO A 1 24 . 24 PRO A O 55 9.95 0.53 ? -1 -1 True False False False True 55 -14.503 3.098 -0.919 1
ATOM C CB . PRO A 1 24 . 24 PRO A CB 56 13.55 0.53 ? -1 -1 True False False False True 56 -12.546 0.728 -2.001 1
ATOM C CG . PRO A 1 24 . 24 PRO A CG 57 12.71 0.53 ? -1 -1 True False False False True 57 -11.111 0.604 -1.696 1
ATOM C CD . PRO A 1 24 . 24 PRO A CD 58 12.41 0.53 ? -1 -1 True False False False True 58 -10.369 1.575 -2.453 1
ATOM N N . LYS A 1 25 . 25 LYS A N 59 9.76 1.0 ? -1 -1 True False False False True 59 -12.427 3.339 -0.041 1
ATOM C CA . LYS A 1 25 . 25 LYS A CA 60 10.29 0.98 ? -1 -1 True False False False True 60 -12.825 4.179 1.074 1
ATOM C C . LYS A 1 25 . 25 LYS A C 61 9.53 0.97 ? -1 -1 True False False False True 61 -11.535 4.802 1.621 1
ATOM O O . LYS A 1 25 . 25 LYS A O 62 9.04 0.86 ? -1 -1 True False False False True 62 -10.417 4.313 1.387 1
ATOM C CB . LYS A 1 25 . 25 LYS A CB 63 9.92 0.84 ? -1 -1 True False False False True 63 -13.62 3.497 2.157 1
ATOM C CG . LYS A 1 25 . 25 LYS A CG 64 11.06 0.98 ? -1 -1 True False False False True 64 -12.895 2.37 2.853 1
ATOM C CD . LYS A 1 25 . 25 LYS A CD 65 11.34 0.83 ? -1 -1 True False False False True 65 -13.768 1.674 3.872 1
ATOM C CE . LYS A 1 25 . 25 LYS A CE 66 11.48 0.95 ? -1 -1 True False False False True 66 -13.059 0.547 4.533 1
ATOM N NZ . LYS A 1 25 . 25 LYS A NZ 67 12.98 0.77 +1 -1 -1 True False False False True 67 -13.855 -0.219 5.474 1
ATOM N N . ASP A 1 26 . 26 ASP A N 68 9.82 1.0 ? -1 -1 True False False False True 68 -11.709 5.886 2.349 1
ATOM C CA . ASP A 1 26 . 26 ASP A CA 69 10.25 0.97 ? -1 -1 True False False False True 69 -10.568 6.642 2.873 1
ATOM C C . ASP A 1 26 . 26 ASP A C 70 8.63 0.94 ? -1 -1 True False False False True 70 -10.372 6.516 4.354 1
ATOM O O . ASP A 1 26 . 26 ASP A O 71 9.21 0.89 ? -1 -1 True False False False True 71 -9.465 7.192 4.906 1
ATOM C CB . ASP A 1 26 . 26 ASP A CB 72 12.0 0.99 ? -1 -1 True False False False True 72 -10.58 8.099 2.425 1
ATOM C CG . ASP A 1 26 . 26 ASP A CG 73 12.87 0.95 ? -1 -1 True False False False True 73 -11.619 8.886 3.099 1
ATOM O OD1 . ASP A 1 26 . 26 ASP A OD1 74 13.11 1.0 ? -1 -1 True False False False True 74 -12.376 8.364 3.898 1
ATOM O OD2 . ASP A 1 26 . 26 ASP A OD2 75 15.07 0.69 ? -1 -1 True False False False True 75 -11.759 10.142 2.795 1
ATOM N N . LEU A 1 27 . 27 LEU A N 76 9.59 0.96 ? -1 -1 True False False False True 76 -11.117 5.647 5.025 1
ATOM C CA . LEU A 1 27 . 27 LEU A CA 77 9.82 1.0 ? -1 -1 True False False False True 77 -11.036 5.463 6.461 1
ATOM C C . LEU A 1 27 . 27 LEU A C 78 9.43 0.98 ? -1 -1 True False False False True 78 -11.258 3.992 6.745 1
ATOM O O . LEU A 1 27 . 27 LEU A O 79 10.35 0.84 ? -1 -1 True False False False True 79 -12.264 3.423 6.312 1
ATOM C CB . LEU A 1 27 . 27 LEU A CB 80 11.01 0.94 ? -1 -1 True False False False True 80 -12.077 6.284 7.201 1
ATOM C CG . LEU A 1 27 . 27 LEU A CG 81 12.19 1.0 ? -1 -1 True False False False True 81 -12.207 6.023 8.705 1
ATOM C CD1 . LEU A 1 27 . 27 LEU A CD1 82 12.84 0.97 ? -1 -1 True False False False True 82 -10.946 6.371 9.446 1
ATOM C CD2 . LEU A 1 27 . 27 LEU A CD2 83 14.14 0.84 ? -1 -1 True False False False True 83 -13.385 6.811 9.262 1
ATOM N N . TYR A 1 28 . 28 TYR A N 84 8.68 1.0 ? -1 -1 True False False False True 84 -10.325 3.352 7.446 1
ATOM C CA . TYR A 1 28 . 28 TYR A CA 85 8.7 1.0 ? -1 -1 True False False False True 85 -10.452 1.974 7.921 1
ATOM C C . TYR A 1 28 . 28 TYR A C 86 8.62 1.0 ? -1 -1 True False False False True 86 -10.416 1.974 9.423 1
ATOM O O . TYR A 1 28 . 28 TYR A O 87 10.52 0.98 ? -1 -1 True False False False True 87 -9.456 2.479 10.017 1
ATOM C CB . TYR A 1 28 . 28 TYR A CB 88 9.13 0.99 ? -1 -1 True False False False True 88 -9.315 1.07 7.414 1
ATOM C CG . TYR A 1 28 . 28 TYR A CG 89 8.81 1.0 ? -1 -1 True False False False True 89 -9.357 0.813 5.917 1
ATOM C CD1 . TYR A 1 28 . 28 TYR A CD1 90 8.7 0.93 ? -1 -1 True False False False True 90 -9.088 1.804 4.997 1
ATOM C CD2 . TYR A 1 28 . 28 TYR A CD2 91 8.6 0.84 ? -1 -1 True False False False True 91 -9.657 -0.448 5.439 1
ATOM C CE1 . TYR A 1 28 . 28 TYR A CE1 92 9.21 1.0 ? -1 -1 True False False False True 92 -9.081 1.567 3.651 1
ATOM C CE2 . TYR A 1 28 . 28 TYR A CE2 93 9.2 0.93 ? -1 -1 True False False False True 93 -9.643 -0.719 4.072 1
ATOM C CZ . TYR A 1 28 . 28 TYR A CZ 94 9.01 0.94 ? -1 -1 True False False False True 94 -9.369 0.268 3.181 1
ATOM O OH . TYR A 1 28 . 28 TYR A OH 95 9.87 0.94 ? -1 -1 True False False False True 95 -9.317 -0.004 1.824 1
ATOM N N . VAL A 1 29 . 29 VAL A N 96 9.14 1.0 ? -1 -1 True False False False True 96 -11.406 1.351 10.041 1
ATOM C CA . VAL A 1 29 . 29 VAL A CA 97 9.85 1.0 ? -1 -1 True False False False True 97 -11.447 1.118 11.481 1
ATOM C C . VAL A 1 29 . 29 VAL A C 98 10.11 1.0 ? -1 -1 True False False False True 98 -11.127 -0.352 11.689 1
ATOM O O . VAL A 1 29 . 29 VAL A O 99 11.65 0.95 ? -1 -1 True False False False True 99 -11.83 -1.231 11.165 1
ATOM C CB . VAL A 1 29 . 29 VAL A CB 100 11.91 1.0 ? -1 -1 True False False False True 100 -12.813 1.521 12.073 1
ATOM C CG1 . VAL A 1 29 . 29 VAL A CG1 101 13.9 0.95 ? -1 -1 True False False False True 101 -12.843 1.175 13.539 1
ATOM C CG2 . VAL A 1 29 . 29 VAL A CG2 102 13.0 0.86 ? -1 -1 True False False False True 102 -13.115 2.972 11.787 1
ATOM N N . VAL A 1 30 . 30 VAL A N 103 9.34 1.0 ? -1 -1 True False False False True 103 -10.05 -0.624 12.38 1
ATOM C CA . VAL A 1 30 . 30 VAL A CA 104 11.0 1.0 ? -1 -1 True False False False True 104 -9.511 -1.98 12.48 1
ATOM C C . VAL A 1 30 . 30 VAL A C 105 10.27 1.0 ? -1 -1 True False False False True 105 -9.31 -2.361 13.926 1
ATOM O O . VAL A 1 30 . 30 VAL A O 106 11.67 1.0 ? -1 -1 True False False False True 106 -9.052 -1.516 14.772 1
ATOM C CB . VAL A 1 30 . 30 VAL A CB 107 15.12 1.0 ? -1 -1 True False False False True 107 -8.244 -2.143 11.662 1
ATOM C CG1 . VAL A 1 30 . 30 VAL A CG1 108 17.92 1.0 ? -1 -1 True False False False True 108 -8.378 -1.652 10.245 1
ATOM C CG2 . VAL A 1 30 . 30 VAL A CG2 109 16.57 1.0 ? -1 -1 True False False False True 109 -7.177 -1.449 12.235 1
ATOM N N . GLU A 1 31 . 31 GLU A N 110 11.26 1.0 ? -1 -1 True False False False True 110 -9.409 -3.646 14.23 1
ATOM C CA . GLU A 1 31 . 31 GLU A CA 111 11.65 1.0 ? -1 -1 True False False False True 111 -9.2 -4.112 15.589 1
ATOM C C . GLU A 1 31 . 31 GLU A C 112 10.7 1.0 ? -1 -1 True False False False True 112 -7.719 -4.339 15.867 1
ATOM O O . GLU A 1 31 . 31 GLU A O 113 11.74 1.0 ? -1 -1 True False False False True 113 -6.987 -4.93 15.07 1
ATOM C CB . GLU A 1 31 . 31 GLU A CB 114 13.38 0.99 ? -1 -1 True False False False True 114 -9.97 -5.41 15.809 1
ATOM C CG . GLU A 1 31 . 31 GLU A CG 115 16.2 0.95 ? -1 -1 True False False False True 115 -11.476 -5.318 15.546 1
ATOM C CD . GLU A 1 31 . 31 GLU A CD 116 19.55 0.98 ? -1 -1 True False False False True 116 -12.153 -4.237 16.345 1
ATOM O OE1 . GLU A 1 31 . 31 GLU A OE1 117 20.82 0.95 ? -1 -1 True False False False True 117 -11.989 -4.17 17.564 1
ATOM O OE2 . GLU A 1 31 . 31 GLU A OE2 118 21.05 0.75 ? -1 -1 True False False False True 118 -12.795 -3.368 15.778 1
ATOM N N . TYR A 1 32 . 32 TYR A N 119 10.46 0.93 ? -1 -1 True False False False True 119 -7.28 -3.953 17.056 1
ATOM C CA . TYR A 1 32 . 32 TYR A CA 120 10.58 0.95 ? -1 -1 True False False False True 120 -5.914 -4.257 17.523 1
ATOM C C . TYR A 1 32 . 32 TYR A C 121 11.23 0.92 ? -1 -1 True False False False True 121 -5.662 -5.767 17.376 1
ATOM O O . TYR A 1 32 . 32 TYR A O 122 12.07 0.98 ? -1 -1 True False False False True 122 -6.512 -6.575 17.751 1
ATOM C CB . TYR A 1 32 . 32 TYR A CB 123 11.1 0.98 ? -1 -1 True False False False True 123 -5.805 -3.865 19.002 1
ATOM C CG . TYR A 1 32 . 32 TYR A CG 124 11.0 1.0 ? -1 -1 True False False False True 124 -4.47 -4.191 19.631 1
ATOM C CD1 . TYR A 1 32 . 32 TYR A CD1 125 11.21 0.99 ? -1 -1 True False False False True 125 -3.391 -3.32 19.572 1
ATOM C CD2 . TYR A 1 32 . 32 TYR A CD2 126 11.66 0.9 ? -1 -1 True False False False True 126 -4.281 -5.378 20.299 1
ATOM C CE1 . TYR A 1 32 . 32 TYR A CE1 127 12.02 0.97 ? -1 -1 True False False False True 127 -2.188 -3.635 20.125 1
ATOM C CE2 . TYR A 1 32 . 32 TYR A CE2 128 12.44 0.91 ? -1 -1 True False False False True 128 -3.065 -5.682 20.85 1
ATOM C CZ . TYR A 1 32 . 32 TYR A CZ 129 12.32 1.0 ? -1 -1 True False False False True 129 -2.021 -4.82 20.752 1
ATOM O OH . TYR A 1 32 . 32 TYR A OH 130 14.95 0.94 ? -1 -1 True False False False True 130 -0.806 -5.174 21.283 1
ATOM N N . GLY A 1 33 . 33 GLY A N 131 11.96 1.0 ? -1 -1 True False False False True 131 -4.507 -6.145 16.826 1
ATOM C CA . GLY A 1 33 . 33 GLY A CA 132 13.59 0.91 ? -1 -1 True False False False True 132 -4.131 -7.563 16.686 1
ATOM C C . GLY A 1 33 . 33 GLY A C 133 14.32 0.93 ? -1 -1 True False False False True 133 -4.674 -8.246 15.457 1
ATOM O O . GLY A 1 33 . 33 GLY A O 134 16.9 0.8 ? -1 -1 True False False False True 134 -4.304 -9.381 15.185 1
ATOM N N . SER A 1 34 . 34 SER A N 135 12.8 1.0 ? -1 -1 True False False False True 135 -5.526 -7.602 14.684 1
ATOM C CA . SER A 1 34 . 34 SER A CA 136 11.67 0.93 ? -1 -1 True False False False True 136 -6.044 -8.129 13.452 1
ATOM C C . SER A 1 34 . 34 SER A C 137 10.91 1.0 ? -1 -1 True False False False True 137 -5.032 -7.929 12.321 1
ATOM O O . SER A 1 34 . 34 SER A O 138 13.25 1.0 ? -1 -1 True False False False True 138 -4.004 -7.321 12.477 1
ATOM C CB . SER A 1 34 . 34 SER A CB 139 12.0 0.8 ? -1 -1 True False False False True 139 -7.363 -7.479 13.112 1
ATOM O OG . SER A 1 34 . 34 SER A OG 140 12.5 0.86 ? -1 -1 True False False False True 140 -7.199 -6.121 12.655 1
ATOM N N . ASN A 1 35 . 35 ASN A N 141 11.21 1.0 ? -1 -1 True False False False True 141 -5.38 -8.439 11.157 1
ATOM C CA . ASN A 1 35 . 35 ASN A CA 142 11.71 1.0 ? -1 -1 True False False False True 142 -4.684 -8.134 9.924 1
ATOM C C . ASN A 1 35 . 35 ASN A C 143 11.69 0.97 ? -1 -1 True False False False True 143 -5.544 -7.176 9.114 1
ATOM O O . ASN A 1 35 . 35 ASN A O 144 13.69 0.78 ? -1 -1 True False False False True 144 -6.778 -7.331 9.054 1
ATOM C CB . ASN A 1 35 . 35 ASN A CB 145 12.87 1.0 ? -1 -1 True False False False True 145 -4.468 -9.42 9.131 1
ATOM C CG . ASN A 1 35 . 35 ASN A CG 146 14.63 0.85 ? -1 -1 True False False False True 146 -3.624 -10.439 9.901 1
ATOM O OD1 . ASN A 1 35 . 35 ASN A OD1 147 13.1 0.85 ? -1 -1 True False False False True 147 -2.892 -10.125 10.812 1
ATOM N ND2 . ASN A 1 35 . 35 ASN A ND2 148 17.1 0.59 ? -1 -1 True False False False True 148 -3.79 -11.71 9.55 1
ATOM N N . MET A 1 36 . 36 MET A N 149 10.65 1.0 ? -1 -1 True False False False True 149 -4.932 -6.171 8.504 1
ATOM C CA . MET A 1 36 . 36 MET A CA 150 11.24 1.0 ? -1 -1 True False False False True 150 -5.688 -5.231 7.685 1
ATOM C C . MET A 1 36 . 36 MET A C 151 9.96 1.0 ? -1 -1 True False False False True 151 -5.124 -5.218 6.283 1
ATOM O O . MET A 1 36 . 36 MET A O 152 10.22 1.0 ? -1 -1 True False False False True 152 -3.925 -5.388 6.072 1
ATOM C CB . MET A 1 36 . 36 MET A CB 153 12.62 1.0 ? -1 -1 True False False False True 153 -5.709 -3.843 8.244 1
ATOM C CG . MET A 1 36 . 36 MET A CG 154 13.45 1.0 ? -1 -1 True False False False True 154 -4.421 -3.121 8.209 1
ATOM S SD . MET A 1 36 . 36 MET A SD 155 13.91 1.0 ? -1 -1 True False False False True 155 -4.62 -1.502 8.929 1
ATOM C CE . MET A 1 36 . 36 MET A CE 156 15.51 1.0 ? -1 -1 True False False False True 156 -2.927 -1.151 8.945 1
ATOM N N . THR A 1 37 . 37 THR A N 157 9.45 0.99 ? -1 -1 True False False False True 157 -6.014 -4.98 5.306 1
ATOM C CA . THR A 1 37 . 37 THR A CA 158 9.22 1.0 ? -1 -1 True False False False True 158 -5.649 -4.788 3.921 1
ATOM C C . THR A 1 37 . 37 THR A C 159 8.9 1.0 ? -1 -1 True False False False True 159 -6.263 -3.462 3.475 1
ATOM O O . THR A 1 37 . 37 THR A O 160 11.39 1.0 ? -1 -1 True False False False True 160 -7.499 -3.322 3.492 1
ATOM C CB . THR A 1 37 . 37 THR A CB 161 10.27 1.0 ? -1 -1 True False False False True 161 -6.081 -5.94 3.012 1
ATOM O OG1 . THR A 1 37 . 37 THR A OG1 162 12.75 1.0 ? -1 -1 True False False False True 162 -5.502 -7.132 3.496 1
ATOM C CG2 . THR A 1 37 . 37 THR A CG2 163 11.18 0.92 ? -1 -1 True False False False True 163 -5.634 -5.725 1.597 1
ATOM N N . ILE A 1 38 . 38 ILE A N 164 7.92 1.0 ? -1 -1 True False False False True 164 -5.442 -2.497 3.087 1
ATOM C CA . ILE A 1 38 . 38 ILE A CA 165 7.93 1.0 ? -1 -1 True False False False True 165 -5.898 -1.209 2.585 1
ATOM C C . ILE A 1 38 . 38 ILE A C 166 6.96 0.92 ? -1 -1 True False False False True 166 -5.533 -1.108 1.12 1
ATOM O O . ILE A 1 38 . 38 ILE A O 167 8.49 0.96 ? -1 -1 True False False False True 167 -4.516 -1.615 0.672 1
ATOM C CB . ILE A 1 38 . 38 ILE A CB 168 8.66 0.91 ? -1 -1 True False False False True 168 -5.406 -0.041 3.468 1
ATOM C CG1 . ILE A 1 38 . 38 ILE A CG1 169 8.3 0.83 ? -1 -1 True False False False True 169 -3.936 0.135 3.444 1
ATOM C CG2 . ILE A 1 38 . 38 ILE A CG2 170 9.21 0.88 ? -1 -1 True False False False True 170 -5.94 -0.204 4.892 1
ATOM C CD1 . ILE A 1 38 . 38 ILE A CD1 171 8.5 0.67 ? -1 -1 True False False False True 171 -3.445 1.401 4.202 1
ATOM N N . GLU A 1 39 . 39 GLU A N 172 7.6 0.91 ? -1 -1 True False False False True 172 -6.4 -0.467 0.332 1
ATOM C CA . GLU A 1 39 . 39 GLU A CA 173 7.63 0.9 ? -1 -1 True False False False True 173 -6.32 -0.555 -1.115 1
ATOM C C . GLU A 1 39 . 39 GLU A C 174 7.32 0.85 ? -1 -1 True False False False True 174 -6.331 0.786 -1.802 1
ATOM O O . GLU A 1 39 . 39 GLU A O 175 7.99 0.91 ? -1 -1 True False False False True 175 -7.061 1.722 -1.428 1
ATOM C CB . GLU A 1 39 . 39 GLU A CB 176 8.74 0.98 ? -1 -1 True False False False True 176 -7.531 -1.354 -1.659 1
ATOM C CG . GLU A 1 39 . 39 GLU A CG 177 9.3 0.9 ? -1 -1 True False False False True 177 -7.591 -2.771 -1.194 1
ATOM C CD . GLU A 1 39 . 39 GLU A CD 178 10.23 0.91 ? -1 -1 True False False False True 178 -8.826 -3.521 -1.675 1
ATOM O OE1 . GLU A 1 39 . 39 GLU A OE1 179 11.32 0.72 ? -1 -1 True False False False True 179 -8.707 -4.684 -2.126 1
ATOM O OE2 . GLU A 1 39 . 39 GLU A OE2 180 10.62 0.81 ? -1 -1 True False False False True 180 -9.948 -2.925 -1.656 1
ATOM N N . CYS A 1 40 . 40 CYS A N 181 6.68 1.0 ? -1 -1 True False False False True 181 -5.566 0.882 -2.876 1
ATOM C CA . CYS A 1 40 . 40 CYS A CA 182 5.95 1.0 ? -1 -1 True False False False True 182 -5.61 1.957 -3.87 1
ATOM C C . CYS A 1 40 . 40 CYS A C 183 6.71 1.0 ? -1 -1 True False False False True 183 -5.721 1.33 -5.247 1
ATOM O O . CYS A 1 40 . 40 CYS A O 184 8.41 1.0 ? -1 -1 True False False False True 184 -5.002 0.402 -5.557 1
ATOM C CB . CYS A 1 40 . 40 CYS A CB 185 5.86 1.0 ? -1 -1 True False False False True 185 -4.397 2.847 -3.815 1
ATOM S SG . CYS A 1 40 . 40 CYS A SG 186 5.61 1.0 ? -1 -1 True False False False True 186 -4.407 3.871 -2.306 1
ATOM N N . LYS A 1 41 . 41 LYS A N 187 10.09 1.0 ? -1 -1 True False False False True 187 -6.598 1.825 -6.077 1
ATOM C CA . LYS A 1 41 . 41 LYS A CA 188 10.26 1.0 ? -1 -1 True False False False True 188 -6.832 1.295 -7.387 1
ATOM C C . LYS A 1 41 . 41 LYS A C 189 9.91 1.0 ? -1 -1 True False False False True 189 -6.254 2.228 -8.438 1
ATOM O O . LYS A 1 41 . 41 LYS A O 190 11.55 1.0 ? -1 -1 True False False False True 190 -6.233 3.45 -8.262 1
ATOM C CB . LYS A 1 41 . 41 LYS A CB 191 12.45 1.0 ? -1 -1 True False False False True 191 -8.338 1.057 -7.652 1
ATOM C CG . LYS A 1 41 . 41 LYS A CG 192 16.16 1.0 ? -1 -1 True False False False True 192 -9.196 0.333 -6.612 1
ATOM C CD . LYS A 1 41 . 41 LYS A CD 193 16.8 1.0 ? -1 -1 True False False False True 193 -8.713 -0.984 -6.251 1
ATOM C CE . LYS A 1 41 . 41 LYS A CE 194 17.54 1.0 ? -1 -1 True False False False True 194 -9.594 -1.711 -5.194 1
ATOM N NZ . LYS A 1 41 . 41 LYS A NZ 195 18.99 1.0 +1 -1 -1 True False False False True 195 -10.996 -2.11 -5.629 1
ATOM N N . PHE A 1 42 . 42 PHE A N 196 10.11 1.0 ? -1 -1 True False False False True 196 -5.824 1.661 -9.548 1
ATOM C CA . PHE A 1 42 . 42 PHE A CA 197 10.48 1.0 ? -1 -1 True False False False True 197 -5.245 2.423 -10.641 1
ATOM C C . PHE A 1 42 . 42 PHE A C 198 10.09 1.0 ? -1 -1 True False False False True 198 -5.663 1.788 -11.95 1
ATOM O O . PHE A 1 42 . 42 PHE A O 199 10.98 0.95 ? -1 -1 True False False False True 199 -6.022 0.602 -11.997 1
ATOM C CB . PHE A 1 42 . 42 PHE A CB 200 10.91 0.99 ? -1 -1 True False False False True 200 -3.699 2.504 -10.511 1
ATOM C CG . PHE A 1 42 . 42 PHE A CG 201 10.24 1.0 ? -1 -1 True False False False True 201 -2.965 1.186 -10.579 1
ATOM C CD1 . PHE A 1 42 . 42 PHE A CD1 202 10.31 1.0 ? -1 -1 True False False False True 202 -2.847 0.359 -9.46 1
ATOM C CD2 . PHE A 1 42 . 42 PHE A CD2 203 10.74 0.94 ? -1 -1 True False False False True 203 -2.364 0.791 -11.763 1
ATOM C CE1 . PHE A 1 42 . 42 PHE A CE1 204 10.68 0.99 ? -1 -1 True False False False True 204 -2.179 -0.821 -9.584 1
ATOM C CE2 . PHE A 1 42 . 42 PHE A CE2 205 10.49 0.85 ? -1 -1 True False False False True 205 -1.677 -0.399 -11.853 1
ATOM C CZ . PHE A 1 42 . 42 PHE A CZ 206 10.81 0.93 ? -1 -1 True False False False True 206 -1.592 -1.209 -10.726 1
ATOM N N . PRO A 1 43 . 43 PRO A N 207 10.09 0.96 ? -1 -1 True False False False True 207 -5.644 2.539 -13.047 1
ATOM C CA . PRO A 1 43 . 43 PRO A CA 208 10.98 1.0 ? -1 -1 True False False False True 208 -6.203 2.027 -14.295 1
ATOM C C . PRO A 1 43 . 43 PRO A C 209 11.1 1.0 ? -1 -1 True False False False True 209 -5.218 1.096 -14.982 1
ATOM O O . PRO A 1 43 . 43 PRO A O 210 11.61 0.88 ? -1 -1 True False False False True 210 -4.073 1.465 -15.241 1
ATOM C CB . PRO A 1 43 . 43 PRO A CB 211 11.83 0.89 ? -1 -1 True False False False True 211 -6.464 3.304 -15.098 1
ATOM C CG . PRO A 1 43 . 43 PRO A CG 212 12.72 0.89 ? -1 -1 True False False False True 212 -5.467 4.264 -14.601 1
ATOM C CD . PRO A 1 43 . 43 PRO A CD 213 11.68 0.97 ? -1 -1 True False False False True 213 -5.412 4.0 -13.123 1
ATOM N N . VAL A 1 44 . 44 VAL A N 214 12.31 1.0 ? -1 -1 True False False False True 214 -5.722 -0.058 -15.386 1
ATOM C CA . VAL A 1 44 . 44 VAL A CA 215 13.67 1.0 ? -1 -1 True False False False True 215 -4.979 -1.052 -16.17 1
ATOM C C . VAL A 1 44 . 44 VAL A C 216 16.06 1.0 ? -1 -1 True False False False True 216 -5.911 -1.48 -17.3 1
ATOM O O . VAL A 1 44 . 44 VAL A O 217 15.46 0.82 ? -1 -1 True False False False True 217 -7.022 -1.939 -17.072 1
ATOM C CB . VAL A 1 44 . 44 VAL A CB 218 15.67 1.0 ? -1 -1 True False False False True 218 -4.548 -2.242 -15.303 1
ATOM C CG1 . VAL A 1 44 . 44 VAL A CG1 219 17.63 0.63 ? -1 -1 True False False False True 219 -3.842 -3.299 -16.183 1
ATOM C CG2 . VAL A 1 44 . 44 VAL A CG2 220 15.82 1.0 ? -1 -1 True False False False True 220 -3.645 -1.807 -14.175 1
ATOM N N . GLU A 1 45 . 45 GLU A N 221 20.29 0.95 ? -1 -1 True False False False True 221 -5.483 -1.286 -18.533 1
ATOM C CA . GLU A 1 45 . 45 GLU A CA 222 26.11 0.62 ? -1 -1 True False False False True 222 -6.489 -1.45 -19.596 1
ATOM C C . GLU A 1 45 . 45 GLU A C 223 28.7 0.5 ? -1 -1 True False False False True 223 -6.692 -2.906 -19.982 1
ATOM O O . GLU A 1 45 . 45 GLU A O 224 29.3 0.45 ? -1 -1 True False False False True 224 -7.833 -3.379 -20.1 1
ATOM C CB . GLU A 1 45 . 45 GLU A CB 225 30.23 1.0 ? -1 -1 True False False False True 225 -6.175 -0.573 -20.805 1
ATOM C CG . GLU A 1 45 . 45 GLU A CG 226 34.22 0.68 ? -1 -1 True False False False True 226 -6.075 0.89 -20.465 1
ATOM C CD . GLU A 1 45 . 45 GLU A CD 227 36.78 0.76 ? -1 -1 True False False False True 227 -7.39 1.498 -20.041 1
ATOM O OE1 . GLU A 1 45 . 45 GLU A OE1 228 37.81 0.42 ? -1 -1 True False False False True 228 -7.511 2.738 -20.165 1
ATOM O OE2 . GLU A 1 45 . 45 GLU A OE2 229 0.0 0.0 ? -1 -1 True False False False True 229 -8.248 0.765 -19.609 1
ATOM N N . LYS A 1 46 . 46 LYS A N 230 29.71 0.82 ? -1 -1 True False False False True 230 -5.607 -3.612 -20.2 1
ATOM C CA . LYS A 1 46 . 46 LYS A CA 231 29.83 0.94 ? -1 -1 True False False False True 231 -5.628 -5.04 -20.501 1
ATOM C C . LYS A 1 46 . 46 LYS A C 232 28.68 1.0 ? -1 -1 True False False False True 232 -4.588 -5.713 -19.616 1
ATOM O O . LYS A 1 46 . 46 LYS A O 233 29.24 0.68 ? -1 -1 True False False False True 233 -4.8 -5.7 -18.399 1
ATOM C CB . LYS A 1 46 . 46 LYS A CB 234 32.97 1.0 ? -1 -1 True False False False True 234 -5.24 -3.582 -20.754 1
ATOM C CG . LYS A 1 46 . 46 LYS A CG 235 34.46 1.0 ? -1 -1 True False False False True 235 -5.173 -3.195 -22.225 1
ATOM C CD . LYS A 1 46 . 46 LYS A CD 236 0.0 0.0 ? -1 -1 True False False False True 236 -3.805 -3.501 -22.816 1
ATOM C CE . LYS A 1 46 . 46 LYS A CE 237 39.62 1.0 ? -1 -1 True False False False True 237 -3.696 -3.001 -24.249 1
ATOM N NZ . LYS A 1 46 . 46 LYS A NZ 238 0.0 0.0 +1 -1 -1 True False False False True 238 -2.378 -3.333 -24.855 1
ATOM N N . GLN A 1 47 . 47 GLN A N 239 25.83 0.88 ? -1 -1 True False False False True 239 -3.46 -6.223 -20.132 1
ATOM C CA . GLN A 1 47 . 47 GLN A CA 240 24.32 1.0 ? -1 -1 True False False False True 240 -2.425 -6.851 -19.297 1
ATOM C C . GLN A 1 47 . 47 GLN A C 241 21.01 1.0 ? -1 -1 True False False False True 241 -1.579 -5.759 -18.639 1
ATOM O O . GLN A 1 47 . 47 GLN A O 242 20.42 0.88 ? -1 -1 True False False False True 242 -1.31 -4.719 -19.228 1
ATOM C CB . GLN A 1 47 . 47 GLN A CB 243 28.08 1.0 ? -1 -1 True False False False True 243 -1.504 -7.74 -20.142 1
ATOM C CG . GLN A 1 47 . 47 GLN A CG 244 30.42 0.53 ? -1 -1 True False False False True 244 -2.206 -8.848 -20.887 1
ATOM C CD . GLN A 1 47 . 47 GLN A CD 245 32.59 0.85 ? -1 -1 True False False False True 245 -2.786 -9.937 -19.977 1
ATOM O OE1 . GLN A 1 47 . 47 GLN A OE1 246 33.53 0.61 ? -1 -1 True False False False True 246 -2.332 -10.164 -18.869 1
ATOM N NE2 . GLN A 1 47 . 47 GLN A NE2 247 32.77 0.47 ? -1 -1 True False False False True 247 -3.791 -10.617 -20.476 1
ATOM N N . LEU A 1 48 . 48 LEU A N 248 18.53 0.89 ? -1 -1 True False False False True 248 -1.125 -6.009 -17.435 1
ATOM C CA . LEU A 1 48 . 48 LEU A CA 249 14.95 1.0 ? -1 -1 True False False False True 249 -0.267 -5.096 -16.67 1
ATOM C C . LEU A 1 48 . 48 LEU A C 250 16.54 1.0 ? -1 -1 True False False False True 250 1.151 -5.05 -17.244 1
ATOM O O . LEU A 1 48 . 48 LEU A O 251 19.01 0.93 ? -1 -1 True False False False True 251 1.757 -6.107 -17.51 1
ATOM C CB . LEU A 1 48 . 48 LEU A CB 252 13.72 1.0 ? -1 -1 True False False False True 252 -0.205 -5.603 -15.238 1
ATOM C CG . LEU A 1 48 . 48 LEU A CG 253 12.41 1.0 ? -1 -1 True False False False True 253 0.645 -4.769 -14.301 1
ATOM C CD1 . LEU A 1 48 . 48 LEU A CD1 254 11.91 0.89 ? -1 -1 True False False False True 254 0.024 -3.413 -13.987 1
ATOM C CD2 . LEU A 1 48 . 48 LEU A CD2 255 12.21 0.81 ? -1 -1 True False False False True 255 0.893 -5.514 -12.971 1
ATOM N N . ASP A 1 49 . 49 ASP A N 256 15.92 1.0 ? -1 -1 True False False False True 256 1.683 -3.848 -17.448 1
ATOM C CA . ASP A 1 49 . 49 ASP A CA 257 15.67 1.0 ? -1 -1 True False False False True 257 3.044 -3.616 -17.89 1
ATOM C C . ASP A 1 49 . 49 ASP A C 258 15.36 1.0 ? -1 -1 True False False False True 258 3.899 -3.464 -16.624 1
ATOM O O . ASP A 1 49 . 49 ASP A O 259 13.55 1.0 ? -1 -1 True False False False True 259 4.008 -2.384 -16.031 1
ATOM C CB . ASP A 1 49 . 49 ASP A CB 260 15.08 0.91 ? -1 -1 True False False False True 260 3.062 -2.344 -18.723 1
ATOM C CG . ASP A 1 49 . 49 ASP A CG 261 15.52 0.82 ? -1 -1 True False False False True 261 4.412 -1.967 -19.199 1
ATOM O OD1 . ASP A 1 49 . 49 ASP A OD1 262 16.63 0.75 ? -1 -1 True False False False True 262 5.41 -2.567 -18.759 1
ATOM O OD2 . ASP A 1 49 . 49 ASP A OD2 263 15.37 0.89 ? -1 -1 True False False False True 263 4.52 -0.975 -19.951 1
ATOM N N . LEU A 1 50 . 50 LEU A N 264 18.54 1.0 ? -1 -1 True False False False True 264 4.517 -4.571 -16.138 1
ATOM C CA . LEU A 1 50 . 50 LEU A CA 265 19.97 1.0 ? -1 -1 True False False False True 265 5.286 -4.491 -14.849 1
ATOM C C . LEU A 1 50 . 50 LEU A C 266 20.68 1.0 ? -1 -1 True False False False True 266 6.498 -3.624 -14.94 1
ATOM O O . LEU A 1 50 . 50 LEU A O 267 25.0 1.0 ? -1 -1 True False False False True 267 6.849 -3.018 -13.927 1
ATOM C CB . LEU A 1 50 . 50 LEU A CB 268 20.22 1.0 ? -1 -1 True False False False True 268 5.874 -5.804 -14.355 1
ATOM C CG . LEU A 1 50 . 50 LEU A CG 269 16.32 1.0 ? -1 -1 True False False False True 269 5.066 -6.543 -13.457 1
ATOM C CD1 . LEU A 1 50 . 50 LEU A CD1 270 15.97 1.0 ? -1 -1 True False False False True 270 5.659 -7.902 -13.138 1
ATOM C CD2 . LEU A 1 50 . 50 LEU A CD2 271 11.59 1.0 ? -1 -1 True False False False True 271 4.498 -5.9 -12.254 1
ATOM N N . ALA A 1 51 . 51 ALA A N 272 19.72 1.0 ? -1 -1 True False False False True 272 7.104 -3.448 -16.105 1
ATOM C CA . ALA A 1 51 . 51 ALA A CA 273 21.08 1.0 ? -1 -1 True False False False True 273 8.215 -2.534 -16.233 1
ATOM C C . ALA A 1 51 . 51 ALA A C 274 16.99 1.0 ? -1 -1 True False False False True 274 7.822 -1.163 -15.841 1
ATOM O O . ALA A 1 51 . 51 ALA A O 275 17.59 1.0 ? -1 -1 True False False False True 275 8.644 -0.482 -15.248 1
ATOM C CB . ALA A 1 51 . 51 ALA A CB 276 22.86 1.0 ? -1 -1 True False False False True 276 8.829 -2.543 -17.665 1
ATOM N N . ALA A 1 52 . 52 ALA A N 277 12.15 1.0 ? -1 -1 True False False False True 277 6.609 -0.752 -16.148 1
ATOM C CA . ALA A 1 52 . 52 ALA A CA 278 10.37 1.0 ? -1 -1 True False False False True 278 6.17 0.616 -15.955 1
ATOM C C . ALA A 1 52 . 52 ALA A C 279 8.61 0.95 ? -1 -1 True False False False True 279 5.73 0.902 -14.509 1
ATOM O O . ALA A 1 52 . 52 ALA A O 280 12.21 0.95 ? -1 -1 True False False False True 280 5.632 2.063 -14.128 1
ATOM C CB . ALA A 1 52 . 52 ALA A CB 281 10.46 0.97 ? -1 -1 True False False False True 281 5.04 0.944 -16.884 1
ATOM N N . LEU A 1 53 . 53 LEU A N 282 7.85 1.0 ? -1 -1 True False False False True 282 5.367 -0.085 -13.739 1
ATOM C CA . LEU A 1 53 . 53 LEU A CA 283 7.45 1.0 ? -1 -1 True False False False True 283 4.656 0.134 -12.479 1
ATOM C C . LEU A 1 53 . 53 LEU A C 284 7.26 1.0 ? -1 -1 True False False False True 284 5.619 0.425 -11.327 1
ATOM O O . LEU A 1 53 . 53 LEU A O 285 8.01 1.0 ? -1 -1 True False False False True 285 6.566 -0.345 -11.078 1
ATOM C CB . LEU A 1 53 . 53 LEU A CB 286 7.83 1.0 ? -1 -1 True False False False True 286 3.815 -1.11 -12.15 1
ATOM C CG . LEU A 1 53 . 53 LEU A CG 287 8.08 1.0 ? -1 -1 True False False False True 287 3.022 -1.016 -10.849 1
ATOM C CD1 . LEU A 1 53 . 53 LEU A CD1 288 8.27 1.0 ? -1 -1 True False False False True 288 1.976 0.092 -10.891 1
ATOM C CD2 . LEU A 1 53 . 53 LEU A CD2 289 9.73 1.0 ? -1 -1 True False False False True 289 2.358 -2.325 -10.564 1
ATOM N N . ILE A 1 54 . 54 ILE A N 290 6.35 0.92 ? -1 -1 True False False False True 290 5.337 1.497 -10.602 1
ATOM C CA . ILE A 1 54 . 54 ILE A CA 291 7.09 1.0 ? -1 -1 True False False False True 291 6.039 1.814 -9.359 1
ATOM C C . ILE A 1 54 . 54 ILE A C 292 6.62 0.96 ? -1 -1 True False False False True 292 4.965 2.063 -8.295 1
ATOM O O . ILE A 1 54 . 54 ILE A O 293 7.38 0.98 ? -1 -1 True False False False True 293 4.038 2.837 -8.54 1
ATOM C CB . ILE A 1 54 . 54 ILE A CB 294 7.7 1.0 ? -1 -1 True False False False True 294 6.93 3.059 -9.494 1
ATOM C CG1 . ILE A 1 54 . 54 ILE A CG1 295 10.07 1.0 ? -1 -1 True False False False True 295 7.809 2.996 -10.735 1
ATOM C CG2 . ILE A 1 54 . 54 ILE A CG2 296 8.19 0.93 ? -1 -1 True False False False True 296 7.727 3.238 -8.214 1
ATOM C CD1 . ILE A 1 54 . 54 ILE A CD1 297 10.37 0.83 ? -1 -1 True False False False True 297 8.565 4.312 -11.004 1
ATOM N N . VAL A 1 55 . 55 VAL A N 298 6.85 0.99 ? -1 -1 True False False False True 298 5.078 1.396 -7.145 1
ATOM C CA . VAL A 1 55 . 55 VAL A CA 299 6.32 0.88 ? -1 -1 True False False False True 299 4.149 1.582 -6.037 1
ATOM C C . VAL A 1 55 . 55 VAL A C 300 7.09 0.95 ? -1 -1 True False False False True 300 4.941 1.88 -4.779 1
ATOM O O . VAL A 1 55 . 55 VAL A O 301 8.21 0.97 ? -1 -1 True False False False True 301 5.914 1.193 -4.488 1
ATOM C CB . VAL A 1 55 . 55 VAL A CB 302 7.12 0.9 ? -1 -1 True False False False True 302 3.248 0.345 -5.803 1
ATOM C CG1 . VAL A 1 55 . 55 VAL A CG1 303 6.88 0.75 ? -1 -1 True False False False True 303 2.319 0.532 -4.607 1
ATOM C CG2 . VAL A 1 55 . 55 VAL A CG2 304 7.9 0.85 ? -1 -1 True False False False True 304 2.457 -0.016 -7.061 1
ATOM N N . TYR A 1 56 . 56 TYR A N 305 6.83 0.97 ? -1 -1 True False False False True 305 4.525 2.897 -4.037 1
ATOM C CA . TYR A 1 56 . 56 TYR A CA 306 6.69 0.92 ? -1 -1 True False False False True 306 5.123 3.191 -2.741 1
ATOM C C . TYR A 1 56 . 56 TYR A C 307 6.7 0.97 ? -1 -1 True False False False True 307 4.015 3.477 -1.732 1
ATOM O O . TYR A 1 56 . 56 TYR A O 308 7.49 0.96 ? -1 -1 True False False False True 308 3.177 4.347 -1.966 1
ATOM C CB . TYR A 1 56 . 56 TYR A CB 309 7.49 0.98 ? -1 -1 True False False False True 309 6.1 4.376 -2.846 1
ATOM C CG . TYR A 1 56 . 56 TYR A CG 310 7.37 0.98 ? -1 -1 True False False True True 310 6.751 4.773 -1.557 1
ATOM C CD1 . TYR A 1 56 . 56 TYR A CD1 311 7.87 0.99 ? -1 -1 True False False False True 311 7.234 3.833 -0.662 1
ATOM C CD2 . TYR A 1 56 . 56 TYR A CD2 312 7.86 0.9 ? -1 -1 True False False False True 312 6.899 6.111 -1.213 1
ATOM C CE1 . TYR A 1 56 . 56 TYR A CE1 313 7.05 0.88 ? -1 -1 True False False False True 313 7.831 4.204 0.537 1
ATOM C CE2 . TYR A 1 56 . 56 TYR A CE2 314 7.78 0.89 ? -1 -1 True False False False True 314 7.495 6.506 -0.026 1
ATOM C CZ . TYR A 1 56 . 56 TYR A CZ 315 6.98 0.86 ? -1 -1 True False False False True 315 7.952 5.559 0.878 1
ATOM O OH . TYR A 1 56 . 56 TYR A OH 316 8.93 1.0 ? -1 -1 True False False True True 316 8.539 5.894 2.057 1
ATOM N N . TRP A 1 57 . 57 TRP A N 317 6.74 0.92 ? -1 -1 True False False False True 317 4.045 2.763 -0.612 1
ATOM C CA . TRP A 1 57 . 57 TRP A CA 318 7.46 0.92 ? -1 -1 True False False False True 318 3.2 3.026 0.538 1
ATOM C C . TRP A 1 57 . 57 TRP A C 319 7.81 1.0 ? -1 -1 True False False False True 319 4.037 3.565 1.683 1
ATOM O O . TRP A 1 57 . 57 TRP A O 320 8.28 1.0 ? -1 -1 True False False False True 320 5.059 2.968 2.042 1
ATOM C CB . TRP A 1 57 . 57 TRP A CB 321 8.15 0.96 ? -1 -1 True False False False True 321 2.499 1.747 1.014 1
ATOM C CG . TRP A 1 57 . 57 TRP A CG 322 8.03 0.99 ? -1 -1 True False False False True 322 1.365 1.261 0.172 1
ATOM C CD1 . TRP A 1 57 . 57 TRP A CD1 323 8.7 0.96 ? -1 -1 True False False False True 323 1.385 0.338 -0.801 1
ATOM C CD2 . TRP A 1 57 . 57 TRP A CD2 324 7.81 0.99 ? -1 -1 True False False False True 324 -0.031 1.638 0.346 1
ATOM N NE1 . TRP A 1 57 . 57 TRP A NE1 325 7.96 0.89 ? -1 -1 True False False False True 325 0.108 0.125 -1.287 1
ATOM C CE2 . TRP A 1 57 . 57 TRP A CE2 326 7.63 0.93 ? -1 -1 True False False False True 326 -0.78 0.884 -0.586 1
ATOM C CE3 . TRP A 1 57 . 57 TRP A CE3 327 7.7 0.95 ? -1 -1 True False False False True 327 -0.707 2.508 1.203 1
ATOM C CZ2 . TRP A 1 57 . 57 TRP A CZ2 328 7.74 0.88 ? -1 -1 True False False False True 328 -2.168 0.944 -0.609 1
ATOM C CZ3 . TRP A 1 57 . 57 TRP A CZ3 329 8.26 0.94 ? -1 -1 True False False False True 329 -2.074 2.562 1.147 1
ATOM C CH2 . TRP A 1 57 . 57 TRP A CH2 330 7.81 0.82 ? -1 -1 True False False False True 330 -2.791 1.774 0.24 1
ATOM N N . GLU A 1 58 . 58 GLU A N 331 7.81 1.0 ? -1 -1 True False False False True 331 3.576 4.664 2.285 1
ATOM C CA . GLU A 1 58 . 58 GLU A CA 332 8.31 1.0 ? -1 -1 True False False False True 332 4.261 5.347 3.369 1
ATOM C C . GLU A 1 58 . 58 GLU A C 333 8.71 1.0 ? -1 -1 True False False False True 333 3.266 5.739 4.444 1
ATOM O O . GLU A 1 58 . 58 GLU A O 334 8.36 0.85 ? -1 -1 True False False False True 334 2.121 6.062 4.144 1
ATOM C CB . GLU A 1 58 . 58 GLU A CB 335 8.56 1.0 ? -1 -1 True False False False True 335 4.932 6.623 2.828 1
ATOM C CG . GLU A 1 58 . 58 GLU A CG 336 8.94 0.9 ? -1 -1 True False False False True 336 5.861 7.299 3.829 1
ATOM C CD . GLU A 1 58 . 58 GLU A CD 337 8.75 0.86 ? -1 -1 True False False False True 337 6.526 8.498 3.208 1
ATOM O OE1 . GLU A 1 58 . 58 GLU A OE1 338 9.66 1.0 ? -1 -1 True False False False True 338 7.736 8.375 2.824 1
ATOM O OE2 . GLU A 1 58 . 58 GLU A OE2 339 10.55 0.91 ? -1 -1 True False False False True 339 5.872 9.554 3.055 1
ATOM N N . MET A 1 59 . 59 MET A N 340 8.79 0.9 ? -1 -1 True False False False True 340 3.715 5.734 5.7 1
ATOM C CA . MET A 1 59 . 59 MET A CA 341 9.4 0.9 ? -1 -1 True False False False True 341 2.974 6.396 6.775 1
ATOM C C . MET A 1 59 . 59 MET A C 342 9.59 0.9 ? -1 -1 True False False False True 342 3.993 7.115 7.631 1
ATOM O O . MET A 1 59 . 59 MET A O 343 9.79 0.9 ? -1 -1 True False False False True 343 5.087 6.591 7.824 1
ATOM C CB . MET A 1 59 . 59 MET A CB 344 11.48 0.9 ? -1 -1 True False False False True 344 1.998 5.483 7.521 1
ATOM C CG . MET A 1 59 . 59 MET A CG 345 12.08 0.9 ? -1 -1 True False False False True 345 2.606 4.512 8.441 1
ATOM S SD . MET A 1 59 . 59 MET A SD 346 13.51 0.9 ? -1 -1 True False False False True 346 2.887 5.153 10.114 1
ATOM C CE . MET A 1 59 . 59 MET A CE 347 16.6 0.9 ? -1 -1 True False False False True 347 1.196 5.122 10.649 1
ATOM N N . GLU A 1 60 . 60 GLU A N 348 11.33 1.0 ? -1 -1 True False False False True 348 3.667 8.313 8.147 1
ATOM C CA . GLU A 1 60 . 60 GLU A CA 349 11.53 0.85 ? -1 -1 True False False False True 349 4.65 9.131 8.82 1
ATOM C C . GLU A 1 60 . 60 GLU A C 350 11.65 0.88 ? -1 -1 True False False False True 350 5.856 9.251 7.863 1
ATOM O O . GLU A 1 60 . 60 GLU A O 351 12.35 0.91 ? -1 -1 True False False False True 351 5.662 9.55 6.689 1
ATOM C CB . GLU A 1 60 . 60 GLU A CB 352 11.78 0.8 ? -1 -1 True False False False True 352 4.947 8.621 10.248 1
ATOM C CG . GLU A 1 60 . 60 GLU A CG 353 12.24 0.82 ? -1 -1 True False False False True 353 3.728 8.558 11.165 1
ATOM C CD . GLU A 1 60 . 60 GLU A CD 354 14.12 0.9 ? -1 -1 True False False False True 354 3.911 7.79 12.469 1
ATOM O OE1 . GLU A 1 60 . 60 GLU A OE1 355 15.74 0.6 ? -1 -1 True False False False True 355 5.039 7.29 12.728 1
ATOM O OE2 . GLU A 1 60 . 60 GLU A OE2 356 14.32 0.58 ? -1 -1 True False False False True 356 2.973 7.684 13.22 1
ATOM N N . ASP A 1 61 . 61 ASP A N 357 11.22 0.89 ? -1 -1 True False False False True 357 7.043 9.044 8.34 1
ATOM C CA . ASP A 1 61 . 61 ASP A CA 358 12.01 1.0 ? -1 -1 True False False False True 358 8.244 9.049 7.523 1
ATOM C C . ASP A 1 61 . 61 ASP A C 359 10.83 1.0 ? -1 -1 True False False False True 359 8.791 7.66 7.286 1
ATOM O O . ASP A 1 61 . 61 ASP A O 360 12.26 1.0 ? -1 -1 True False False False True 360 9.992 7.506 7.013 1
ATOM C CB . ASP A 1 61 . 61 ASP A CB 361 14.01 1.0 ? -1 -1 True False False False True 361 9.322 9.936 8.128 1
ATOM C CG . ASP A 1 61 . 61 ASP A CG 362 16.77 1.0 ? -1 -1 True False False False True 362 9.811 9.459 9.5 1
ATOM O OD1 . ASP A 1 61 . 61 ASP A OD1 363 16.84 1.0 ? -1 -1 True False False False True 363 9.182 8.586 10.071 1
ATOM O OD2 . ASP A 1 61 . 61 ASP A OD2 364 22.14 1.0 ? -1 -1 True False False False True 364 10.846 9.925 10.024 1
ATOM N N . LYS A 1 62 . 62 LYS A N 365 9.9 1.0 ? -1 -1 True False False False True 365 7.952 6.638 7.366 1
ATOM C CA . LYS A 1 62 . 62 LYS A CA 366 9.58 0.98 ? -1 -1 True False False False True 366 8.368 5.232 7.31 1
ATOM C C . LYS A 1 62 . 62 LYS A C 367 8.38 0.93 ? -1 -1 True False False False True 367 8.009 4.597 5.973 1
ATOM O O . LYS A 1 62 . 62 LYS A O 368 8.62 0.98 ? -1 -1 True False False False True 368 6.865 4.653 5.501 1
ATOM C CB . LYS A 1 62 . 62 LYS A CB 369 10.55 0.98 ? -1 -1 True False False False True 369 7.679 4.443 8.404 1
ATOM C CG . LYS A 1 62 . 62 LYS A CG 370 12.73 0.88 ? -1 -1 True False False False True 370 7.949 4.907 9.824 1
ATOM C CD . LYS A 1 62 . 62 LYS A CD 371 16.99 1.0 ? -1 -1 True False False False True 371 7.147 4.095 10.844 1
ATOM C CE . LYS A 1 62 . 62 LYS A CE 372 19.05 0.53 ? -1 -1 True False False False True 372 7.336 4.575 12.249 1
ATOM N NZ . LYS A 1 62 . 62 LYS A NZ 373 19.33 0.24 +1 -1 -1 True False False False True 373 6.113 4.656 13.059 1
ATOM N N . ASN A 1 63 . 63 ASN A N 374 7.62 0.89 ? -1 -1 True False False False True 374 9.01 3.941 5.371 1
ATOM C CA . ASN A 1 63 . 63 ASN A CA 375 7.1 0.9 ? -1 -1 True False False False True 375 8.833 3.192 4.122 1
ATOM C C . ASN A 1 63 . 63 ASN A C 376 7.36 0.89 ? -1 -1 True False False False True 376 8.142 1.857 4.465 1
ATOM O O . ASN A 1 63 . 63 ASN A O 377 8.55 0.99 ? -1 -1 True False False False True 377 8.693 1.025 5.181 1
ATOM C CB . ASN A 1 63 . 63 ASN A CB 378 7.32 0.91 ? -1 -1 True False False False True 378 10.217 2.978 3.544 1
ATOM C CG . ASN A 1 63 . 63 ASN A CG 379 7.92 0.99 ? -1 -1 True False False False True 379 10.233 2.281 2.189 1
ATOM O OD1 . ASN A 1 63 . 63 ASN A OD1 380 8.68 1.0 ? -1 -1 True False False False True 380 9.602 1.22 2.017 1
ATOM N ND2 . ASN A 1 63 . 63 ASN A ND2 381 8.38 1.0 ? -1 -1 True False False False True 381 10.97 2.833 1.256 1
ATOM N N . ILE A 1 64 . 64 ILE A N 382 8.12 1.0 ? -1 -1 True False False False True 382 6.899 1.712 4.007 1
ATOM C CA . ILE A 1 64 . 64 ILE A CA 383 8.68 1.0 ? -1 -1 True False False False True 383 6.15 0.499 4.315 1
ATOM C C . ILE A 1 64 . 64 ILE A C 384 8.57 1.0 ? -1 -1 True False False False True 384 6.438 -0.551 3.266 1
ATOM O O . ILE A 1 64 . 64 ILE A O 385 10.02 0.94 ? -1 -1 True False False False True 385 6.866 -1.674 3.595 1
ATOM C CB . ILE A 1 64 . 64 ILE A CB 386 8.37 1.0 ? -1 -1 True False False False True 386 4.634 0.738 4.444 1
ATOM C CG1 . ILE A 1 64 . 64 ILE A CG1 387 7.99 0.89 ? -1 -1 True False False False True 387 4.272 1.88 5.386 1
ATOM C CG2 . ILE A 1 64 . 64 ILE A CG2 388 9.06 0.89 ? -1 -1 True False False False True 388 3.981 -0.579 4.873 1
ATOM C CD1 . ILE A 1 64 . 64 ILE A CD1 389 8.46 0.83 ? -1 -1 True False False False True 389 2.831 2.3 5.286 1
ATOM N N . ILE A 1 65 . 65 ILE A N 390 7.8 0.51 ? -1 -1 True False False False True 390 6.308 -0.171 2.005 1
ATOM C CA . ILE A 1 65 . 65 ILE A CA 391 7.6 0.51 ? -1 -1 True False False False True 391 6.698 -1.054 0.922 1
ATOM C C . ILE A 1 65 . 65 ILE A C 392 7.02 0.51 ? -1 -1 True False False False True 392 6.889 -0.241 -0.355 1
ATOM O O . ILE A 1 65 . 65 ILE A O 393 6.59 0.51 ? -1 -1 True False False False True 393 5.999 0.537 -0.743 1
ATOM C CB . ILE A 1 65 . 65 ILE A CB 394 8.77 0.51 ? -1 -1 True False False False True 394 5.637 -2.167 0.765 1
ATOM C CG1 . ILE A 1 65 . 65 ILE A CG1 395 9.19 0.51 ? -1 -1 True False False False True 395 6.141 -3.378 -0.014 1
ATOM C CG2 . ILE A 1 65 . 65 ILE A CG2 396 9.03 0.51 ? -1 -1 True False False False True 396 4.294 -1.652 0.139 1
ATOM C CD1 . ILE A 1 65 . 65 ILE A CD1 397 11.39 0.51 ? -1 -1 True False False False True 397 7.206 -4.111 0.696 1
ATOM N N . GLN A 1 66 . 66 GLN A N 398 6.74 0.51 ? -1 -1 True False False False True 398 8.038 -0.407 -1.006 1
ATOM C CA . GLN A 1 66 . 66 GLN A CA 399 7.19 0.51 ? -1 -1 True False False False True 399 8.225 0.117 -2.357 1
ATOM C C . GLN A 1 66 . 66 GLN A C 400 6.87 0.51 ? -1 -1 True False False False True 400 8.366 -1.065 -3.298 1
ATOM O O . GLN A 1 66 . 66 GLN A O 401 7.8 0.51 ? -1 -1 True False False False True 401 8.992 -2.084 -2.97 1
ATOM C CB . GLN A 1 66 . 66 GLN A CB 402 7.08 0.51 ? -1 -1 True False False False True 402 9.409 1.09 -2.5 1
ATOM C CG . GLN A 1 66 . 66 GLN A CG 403 7.26 0.51 ? -1 -1 True False False False True 403 10.798 0.428 -2.403 1
ATOM C CD . GLN A 1 66 . 66 GLN A CD 404 7.76 0.51 ? -1 -1 True False False False True 404 11.878 1.492 -2.34 1
ATOM O OE1 . GLN A 1 66 . 66 GLN A OE1 405 7.51 0.51 ? -1 -1 True False False False True 405 11.814 2.449 -1.573 1
ATOM N NE2 . GLN A 1 66 . 66 GLN A NE2 406 8.86 0.51 ? -1 -1 True False False False True 406 12.946 1.291 -3.129 1
ATOM N N . PHE A 1 67 . 67 PHE A N 407 7.48 0.97 ? -1 -1 True False False False True 407 7.844 -0.885 -4.483 1
ATOM C CA . PHE A 1 67 . 67 PHE A CA 408 7.31 0.96 ? -1 -1 True False False False True 408 7.742 -1.924 -5.526 1
ATOM C C . PHE A 1 67 . 67 PHE A C 409 6.49 0.86 ? -1 -1 True False False False True 409 8.103 -1.298 -6.849 1
ATOM O O . PHE A 1 67 . 67 PHE A O 410 7.21 0.91 ? -1 -1 True False False False True 410 7.511 -0.296 -7.264 1
ATOM C CB . PHE A 1 67 . 67 PHE A CB 411 7.8 0.97 ? -1 -1 True False False False True 411 6.295 -2.454 -5.536 1
ATOM C CG . PHE A 1 67 . 67 PHE A CG 412 7.94 1.0 ? -1 -1 True False False False True 412 6.058 -3.596 -6.478 1
ATOM C CD1 . PHE A 1 67 . 67 PHE A CD1 413 9.24 1.0 ? -1 -1 True False False False True 413 5.694 -3.394 -7.803 1
ATOM C CD2 . PHE A 1 67 . 67 PHE A CD2 414 8.81 1.0 ? -1 -1 True False False False True 414 6.212 -4.893 -6.023 1
ATOM C CE1 . PHE A 1 67 . 67 PHE A CE1 415 10.58 1.0 ? -1 -1 True False False False True 415 5.479 -4.511 -8.634 1
ATOM C CE2 . PHE A 1 67 . 67 PHE A CE2 416 9.12 0.93 ? -1 -1 True False False False True 416 5.984 -5.98 -6.85 1
ATOM C CZ . PHE A 1 67 . 67 PHE A CZ 417 9.63 0.91 ? -1 -1 True False False False True 417 5.609 -5.767 -8.128 1
ATOM N N . VAL A 1 68 . 68 VAL A N 418 7.5 0.94 ? -1 -1 True False False False True 418 9.103 -1.882 -7.519 1
ATOM C CA . VAL A 1 68 . 68 VAL A CA 419 8.77 1.0 ? -1 -1 True False False False True 419 9.635 -1.352 -8.772 1
ATOM C C . VAL A 1 68 . 68 VAL A C 420 8.76 0.98 ? -1 -1 True False False False True 420 10.208 -2.524 -9.553 1
ATOM O O . VAL A 1 68 . 68 VAL A O 421 9.37 0.99 ? -1 -1 True False False False True 421 10.738 -3.473 -8.97 1
ATOM C CB . VAL A 1 68 . 68 VAL A CB 422 10.77 0.77 ? -1 -1 True False False False True 422 10.611 -0.204 -8.542 1
ATOM C CG1 . VAL A 1 68 . 68 VAL A CG1 423 10.63 0.62 ? -1 -1 True False False False True 423 11.76 -0.608 -7.809 1
ATOM C CG2 . VAL A 1 68 . 68 VAL A CG2 424 12.17 0.65 ? -1 -1 True False False False True 424 11.038 0.478 -9.835 1
ATOM N N . HIS A 1 69 . 69 HIS A N 425 9.18 0.92 ? -1 -1 True False False False True 425 10.105 -2.472 -10.872 1
ATOM C CA . HIS A 1 69 . 69 HIS A CA 426 10.55 0.9 ? -1 -1 True False False False True 426 10.618 -3.54 -11.727 1
ATOM C C . HIS A 1 69 . 69 HIS A C 427 10.51 0.89 ? -1 -1 True False False False True 427 10.124 -4.914 -11.257 1
ATOM O O . HIS A 1 69 . 69 HIS A O 428 11.78 0.85 ? -1 -1 True False False False True 428 10.828 -5.929 -11.3 1
ATOM C CB . HIS A 1 69 . 69 HIS A CB 429 11.51 0.8 ? -1 -1 True False False False True 429 12.136 -3.542 -11.823 1
ATOM C CG . HIS A 1 69 . 69 HIS A CG 430 12.33 0.69 ? -1 -1 True False False False True 430 12.752 -2.418 -12.575 1
ATOM N ND1 . HIS A 1 69 . 69 HIS A ND1 431 13.17 0.48 +1 -1 -1 True False False False True 431 12.16 -1.424 -13.346 1
ATOM C CD2 . HIS A 1 69 . 69 HIS A CD2 432 11.51 0.51 ? -1 -1 True False False False True 432 14.081 -2.253 -12.734 1
ATOM C CE1 . HIS A 1 69 . 69 HIS A CE1 433 13.94 0.61 ? -1 -1 True False False False True 433 13.108 -0.676 -13.887 1
ATOM N NE2 . HIS A 1 69 . 69 HIS A NE2 434 13.99 0.35 ? -1 -1 True False False False True 434 14.264 -1.115 -13.466 1
ATOM N N . GLY A 1 70 . 70 GLY A N 435 10.07 1.0 ? -1 -1 True False False False True 435 8.866 -4.962 -10.84 1
ATOM C CA . GLY A 1 70 . 70 GLY A CA 436 10.33 0.98 ? -1 -1 True False False False True 436 8.208 -6.198 -10.488 1
ATOM C C . GLY A 1 70 . 70 GLY A C 437 9.48 0.98 ? -1 -1 True False False False True 437 8.551 -6.789 -9.139 1
ATOM O O . GLY A 1 70 . 70 GLY A O 438 10.13 0.96 ? -1 -1 True False False False True 438 8.12 -7.923 -8.886 1
ATOM N N . GLU A 1 71 . 71 GLU A N 439 8.9 1.0 ? -1 -1 True False False False True 439 9.305 -6.085 -8.284 1
ATOM C CA . GLU A 1 71 . 71 GLU A CA 440 9.0 1.0 ? -1 -1 True False False False True 440 9.753 -6.608 -7.027 1
ATOM C C . GLU A 1 71 . 71 GLU A C 441 8.39 1.0 ? -1 -1 True False False False True 441 9.63 -5.603 -5.894 1
ATOM O O . GLU A 1 71 . 71 GLU A O 442 8.86 0.97 ? -1 -1 True False False False True 442 9.809 -4.39 -6.089 1
ATOM C CB . GLU A 1 71 . 71 GLU A CB 443 10.56 1.0 ? -1 -1 True False False False True 443 11.216 -7.063 -7.101 1
ATOM C CG . GLU A 1 71 . 71 GLU A CG 444 13.01 1.0 ? -1 -1 True False False False True 444 11.439 -8.16 -8.135 1
ATOM C CD . GLU A 1 71 . 71 GLU A CD 445 14.83 1.0 ? -1 -1 True False False False True 445 12.849 -8.662 -8.09 1
ATOM O OE1 . GLU A 1 71 . 71 GLU A OE1 446 16.59 0.54 ? -1 -1 True False False False True 446 13.709 -8.16 -8.844 1
ATOM O OE2 . GLU A 1 71 . 71 GLU A OE2 447 14.26 0.9 ? -1 -1 True False False False True 447 13.094 -9.608 -7.329 1
ATOM N N . GLU A 1 72 . 72 GLU A N 448 8.22 0.96 ? -1 -1 True False False False True 448 9.363 -6.121 -4.692 1
ATOM C CA . GLU A 1 72 . 72 GLU A CA 449 8.78 1.0 ? -1 -1 True False False False True 449 9.456 -5.334 -3.475 1
ATOM C C . GLU A 1 72 . 72 GLU A C 450 9.16 1.0 ? -1 -1 True False False False True 450 10.918 -5.142 -3.092 1
ATOM O O . GLU A 1 72 . 72 GLU A O 451 11.98 0.88 ? -1 -1 True False False False True 451 11.715 -6.082 -3.168 1
ATOM C CB . GLU A 1 72 . 72 GLU A CB 452 8.67 0.93 ? -1 -1 True False False False True 452 8.774 -6.053 -2.313 1
ATOM C CG . GLU A 1 72 . 72 GLU A CG 453 9.62 0.96 ? -1 -1 True False False False True 453 7.273 -6.198 -2.488 1
ATOM C CD . GLU A 1 72 . 72 GLU A CD 454 10.82 1.0 ? -1 -1 True False False False True 454 6.561 -7.112 -1.471 1
ATOM O OE1 . GLU A 1 72 . 72 GLU A OE1 455 12.38 0.88 ? -1 -1 True False False False True 455 7.226 -7.967 -0.85 1
ATOM O OE2 . GLU A 1 72 . 72 GLU A OE2 456 13.22 1.0 ? -1 -1 True False False False True 456 5.337 -7.0 -1.344 1
ATOM N N . ASP A 1 73 . 73 ASP A N 457 8.3 0.68 ? -1 -1 True False False False True 457 11.28 -3.946 -2.605 1
ATOM C CA . ASP A 1 73 . 73 ASP A CA 458 8.39 0.68 ? -1 -1 True False False False True 458 12.643 -3.656 -2.143 1
ATOM C C . ASP A 1 73 . 73 ASP A C 459 8.47 0.68 ? -1 -1 True False False False True 459 12.634 -3.719 -0.615 1
ATOM O O . ASP A 1 73 . 73 ASP A O 460 9.87 0.68 ? -1 -1 True False False False True 460 12.545 -2.7 0.078 1
ATOM C CB . ASP A 1 73 . 73 ASP A CB 461 9.34 0.68 ? -1 -1 True False False False True 461 13.137 -2.328 -2.66 1
ATOM C CG . ASP A 1 73 . 73 ASP A CG 462 9.91 0.68 ? -1 -1 True False False False True 462 13.398 -2.235 -4.193 1
ATOM O OD1 . ASP A 1 73 . 73 ASP A OD1 463 10.39 0.68 ? -1 -1 True False False False True 463 13.465 -3.284 -4.868 1
ATOM O OD2 . ASP A 1 73 . 73 ASP A OD2 464 11.61 0.68 ? -1 -1 True False False False True 464 13.637 -1.054 -4.735 1
ATOM N N . LEU A 1 74 . 74 LEU A N 465 9.3 1.0 ? -1 -1 True False False False True 465 12.716 -4.939 -0.061 1
ATOM C CA . LEU A 1 74 . 74 LEU A CA 466 10.14 1.0 ? -1 -1 True False False False True 466 12.576 -5.122 1.361 1
ATOM C C . LEU A 1 74 . 74 LEU A C 467 9.93 1.0 ? -1 -1 True False False False True 467 13.779 -4.615 2.164 1
ATOM O O . LEU A 1 74 . 74 LEU A O 468 10.79 0.94 ? -1 -1 True False False False True 468 13.653 -4.39 3.356 1
ATOM C CB . LEU A 1 74 . 74 LEU A CB 469 11.28 0.98 ? -1 -1 True False False False True 469 12.273 -6.578 1.708 1
ATOM C CG . LEU A 1 74 . 74 LEU A CG 470 11.5 1.0 ? -1 -1 True False False False True 470 10.945 -7.088 1.14 1
ATOM C CD1 . LEU A 1 74 . 74 LEU A CD1 471 13.11 0.77 ? -1 -1 True False False False True 471 10.771 -8.587 1.452 1
ATOM C CD2 . LEU A 1 74 . 74 LEU A CD2 472 12.44 0.94 ? -1 -1 True False False False True 472 9.76 -6.313 1.641 1
ATOM N N . LYS A 1 75 . 75 LYS A N 473 9.17 0.48 ? -1 -1 True False False False True 473 14.907 -4.363 1.527 1
ATOM C CA . LYS A 1 75 . 75 LYS A CA 474 9.93 0.48 ? -1 -1 True False False False True 474 16.026 -3.833 2.276 1
ATOM C C . LYS A 1 75 . 75 LYS A C 475 10.35 0.48 ? -1 -1 True False False False True 475 15.795 -2.414 2.752 1
ATOM O O . LYS A 1 75 . 75 LYS A O 476 11.77 0.48 ? -1 -1 True False False False True 476 16.339 -2.029 3.803 1
ATOM C CB . LYS A 1 75 . 75 LYS A CB 477 11.5 0.48 ? -1 -1 True False False False True 477 17.343 -4.067 1.55 1
ATOM C CG . LYS A 1 75 . 75 LYS A CG 478 13.52 0.48 ? -1 -1 True False False False True 478 17.549 -5.552 1.277 1
ATOM C CD . LYS A 1 75 . 75 LYS A CD 479 14.23 0.48 ? -1 -1 True False False False True 479 18.916 -5.895 0.69 1
ATOM C CE . LYS A 1 75 . 75 LYS A CE 480 16.35 0.48 ? -1 -1 True False False False True 480 19.08 -7.354 0.334 1
ATOM N NZ . LYS A 1 75 . 75 LYS A NZ 481 18.97 0.48 +1 -1 -1 True False False False True 481 20.314 -7.666 -0.442 1
ATOM N N . VAL A 1 76 . 76 VAL A N 482 9.43 0.48 ? -1 -1 True False False False True 482 14.88 -1.693 2.116 1
ATOM C CA . VAL A 1 76 . 76 VAL A CA 483 10.3 0.48 ? -1 -1 True False False False True 483 14.584 -0.306 2.435 1
ATOM C C . VAL A 1 76 . 76 VAL A C 484 9.67 0.48 ? -1 -1 True False False False True 484 13.284 -0.156 3.205 1
ATOM O O . VAL A 1 76 . 76 VAL A O 485 10.13 0.48 ? -1 -1 True False False False True 485 12.9 0.946 3.586 1
ATOM C CB . VAL A 1 76 . 76 VAL A CB 486 13.02 0.48 ? -1 -1 True False False False True 486 14.687 0.502 1.115 1
ATOM C CG1 . VAL A 1 76 . 76 VAL A CG1 487 9.23 0.48 ? -1 -1 True False False False True 487 14.271 1.989 1.071 1
ATOM C CG2 . VAL A 1 76 . 76 VAL A CG2 488 13.14 0.48 ? -1 -1 True False False False True 488 16.138 0.467 0.66 1
ATOM N N . GLN A 1 77 . 77 GLN A N 489 8.88 1.0 ? -1 -1 True False False False True 489 12.572 -1.256 3.423 1
ATOM C CA . GLN A 1 77 . 77 GLN A CA 490 8.73 1.0 ? -1 -1 True False False False True 490 11.414 -1.243 4.258 1
ATOM C C . GLN A 1 77 . 77 GLN A C 491 8.87 1.0 ? -1 -1 True False False False True 491 11.797 -0.917 5.705 1
ATOM O O . GLN A 1 77 . 77 GLN A O 492 10.38 1.0 ? -1 -1 True False False False True 492 12.823 -1.4 6.208 1
ATOM C CB . GLN A 1 77 . 77 GLN A CB 493 8.99 1.0 ? -1 -1 True False False False True 493 10.767 -2.632 4.193 1
ATOM C CG . GLN A 1 77 . 77 GLN A CG 494 8.85 1.0 ? -1 -1 True False False False True 494 9.554 -2.798 5.126 1
ATOM C CD . GLN A 1 77 . 77 GLN A CD 495 8.81 1.0 ? -1 -1 True False False False True 495 8.968 -4.197 4.942 1
ATOM O OE1 . GLN A 1 77 . 77 GLN A OE1 496 10.53 1.0 ? -1 -1 True False False False True 496 9.6 -5.206 5.309 1
ATOM N NE2 . GLN A 1 77 . 77 GLN A NE2 497 9.1 1.0 ? -1 -1 True False False False True 497 7.746 -4.275 4.423 1
ATOM N N . HIS A 1 78 . 78 HIS A N 498 8.64 1.0 ? -1 -1 True False False False True 498 10.995 -0.117 6.374 1
ATOM C CA . HIS A 1 78 . 78 HIS A CA 499 9.1 1.0 ? -1 -1 True False False False True 499 11.248 0.193 7.787 1
ATOM C C . HIS A 1 78 . 78 HIS A C 500 9.13 0.94 ? -1 -1 True False False False True 500 11.198 -1.094 8.604 1
ATOM O O . HIS A 1 78 . 78 HIS A O 501 9.5 0.93 ? -1 -1 True False False False True 501 10.35 -1.957 8.38 1
ATOM C CB . HIS A 1 78 . 78 HIS A CB 502 9.56 1.0 ? -1 -1 True False False False True 502 10.204 1.221 8.265 1
ATOM C CG . HIS A 1 78 . 78 HIS A CG 503 10.91 1.0 ? -1 -1 True False False False True 503 10.502 1.78 9.587 1
ATOM N ND1 . HIS A 1 78 . 78 HIS A ND1 504 12.32 1.0 +1 -1 -1 True False False False True 504 10.125 1.165 10.782 1
ATOM C CD2 . HIS A 1 78 . 78 HIS A CD2 505 12.42 1.0 ? -1 -1 True False False False True 505 11.152 2.922 9.923 1
ATOM C CE1 . HIS A 1 78 . 78 HIS A CE1 506 13.27 0.95 ? -1 -1 True False False False True 506 10.546 1.943 11.773 1
ATOM N NE2 . HIS A 1 78 . 78 HIS A NE2 507 13.23 1.0 ? -1 -1 True False False False True 507 11.156 3.006 11.287 1
ATOM N N . SER A 1 79 . 79 SER A N 508 10.29 0.91 ? -1 -1 True False False False True 508 12.077 -1.191 9.595 1
ATOM C CA . SER A 1 79 . 79 SER A CA 509 12.45 0.96 ? -1 -1 True False False False True 509 12.212 -2.428 10.348 1
ATOM C C . SER A 1 79 . 79 SER A C 510 11.73 1.0 ? -1 -1 True False False False True 510 10.941 -2.819 11.084 1
ATOM O O . SER A 1 79 . 79 SER A O 511 12.82 0.91 ? -1 -1 True False False False True 511 10.724 -4.012 11.346 1
ATOM C CB . SER A 1 79 . 79 SER A CB 512 14.31 0.8 ? -1 -1 True False False False True 512 13.363 -2.291 11.36 1
ATOM O OG . SER A 1 79 . 79 SER A OG 513 16.67 0.79 ? -1 -1 True False False False True 513 13.109 -1.248 12.254 1
ATOM N N . SER A 1 80 . 80 SER A N 514 12.0 1.0 ? -1 -1 True False False False True 514 10.107 -1.848 11.435 1
ATOM C CA . SER A 1 80 . 80 SER A CA 515 11.83 0.91 ? -1 -1 True False False False True 515 8.865 -2.185 12.137 1
ATOM C C . SER A 1 80 . 80 SER A C 516 12.16 1.0 ? -1 -1 True False False False True 516 7.918 -3.036 11.308 1
ATOM O O . SER A 1 80 . 80 SER A O 517 13.86 0.96 ? -1 -1 True False False False True 517 6.998 -3.624 11.871 1
ATOM C CB . SER A 1 80 . 80 SER A CB 518 12.42 0.85 ? -1 -1 True False False False True 518 8.173 -0.935 12.578 1
ATOM O OG . SER A 1 80 . 80 SER A OG 519 14.01 1.0 ? -1 -1 True False False False True 519 7.769 -0.186 11.493 1
ATOM N N . TYR A 1 81 . 81 TYR A N 520 10.44 1.0 ? -1 -1 True False False False True 520 8.104 -3.067 9.995 1
ATOM C CA . TYR A 1 81 . 81 TYR A CA 521 10.4 0.96 ? -1 -1 True False False False True 521 7.259 -3.798 9.076 1
ATOM C C . TYR A 1 81 . 81 TYR A C 522 11.24 1.0 ? -1 -1 True False False False True 522 7.828 -5.15 8.644 1
ATOM O O . TYR A 1 81 . 81 TYR A O 523 10.81 0.95 ? -1 -1 True False False False True 523 7.191 -5.829 7.849 1
ATOM C CB . TYR A 1 81 . 81 TYR A CB 524 9.83 0.91 ? -1 -1 True False False False True 524 6.885 -2.989 7.845 1
ATOM C CG . TYR A 1 81 . 81 TYR A CG 525 9.83 1.0 ? -1 -1 True False False False True 525 6.185 -1.702 8.225 1
ATOM C CD1 . TYR A 1 81 . 81 TYR A CD1 526 9.87 0.91 ? -1 -1 True False False False True 526 4.962 -1.714 8.854 1
ATOM C CD2 . TYR A 1 81 . 81 TYR A CD2 527 8.93 0.85 ? -1 -1 True False False False True 527 6.759 -0.479 7.963 1
ATOM C CE1 . TYR A 1 81 . 81 TYR A CE1 528 9.3 0.82 ? -1 -1 True False False False True 528 4.324 -0.556 9.23 1
ATOM C CE2 . TYR A 1 81 . 81 TYR A CE2 529 8.36 0.73 ? -1 -1 True False False False True 529 6.152 0.691 8.315 1
ATOM C CZ . TYR A 1 81 . 81 TYR A CZ 530 8.98 0.91 ? -1 -1 True False False False True 530 4.909 0.659 8.97 1
ATOM O OH . TYR A 1 81 . 81 TYR A OH 531 10.94 0.89 ? -1 -1 True False False False True 531 4.334 1.853 9.29 1
ATOM N N . ARG A 1 82 . 82 ARG A N 532 12.84 1.0 ? -1 -1 True False False False True 532 8.996 -5.543 9.146 1
ATOM C CA . ARG A 1 82 . 82 ARG A CA 533 14.98 1.0 ? -1 -1 True False False False True 533 9.617 -6.775 8.695 1
ATOM C C . ARG A 1 82 . 82 ARG A C 534 13.72 1.0 ? -1 -1 True False False False True 534 8.68 -7.922 8.976 1
ATOM O O . ARG A 1 82 . 82 ARG A O 535 15.31 1.0 ? -1 -1 True False False False True 535 8.229 -8.129 10.108 1
ATOM C CB . ARG A 1 82 . 82 ARG A CB 536 19.76 1.0 ? -1 -1 True False False False True 536 11.055 -7.253 8.835 1
ATOM C CG . ARG A 1 82 . 82 ARG A CG 537 24.56 1.0 ? -1 -1 True False False False True 537 11.924 -7.034 7.607 1
ATOM C CD . ARG A 1 82 . 82 ARG A CD 538 28.27 1.0 ? -1 -1 True False False False True 538 13.254 -7.679 7.753 1
ATOM N NE . ARG A 1 82 . 82 ARG A NE 539 31.71 1.0 ? -1 -1 True False False False True 539 13.157 -9.13 7.736 1
ATOM C CZ . ARG A 1 82 . 82 ARG A CZ 540 0.0 0.0 ? -1 -1 True False False False True 540 14.175 -9.967 8.016 1
ATOM N NH1 . ARG A 1 82 . 82 ARG A NH1 541 0.0 0.0 ? -1 -1 True False False False True 541 15.356 -9.484 8.331 1
ATOM N NH2 . ARG A 1 82 . 82 ARG A NH2 542 0.0 0.0 +1 -1 -1 True False False False True 542 13.985 -11.275 7.973 1
ATOM N N . GLN A 1 83 . 83 GLN A N 543 13.31 1.0 ? -1 -1 True False False False True 543 8.461 -8.727 7.96 1
ATOM C CA . GLN A 1 83 . 83 GLN A CA 544 14.99 1.0 ? -1 -1 True False False False True 544 7.584 -9.893 8.054 1
ATOM C C . GLN A 1 83 . 83 GLN A C 545 14.04 1.0 ? -1 -1 True False False False True 545 6.141 -9.524 8.35 1
ATOM O O . GLN A 1 83 . 83 GLN A O 546 15.05 0.68 ? -1 -1 True False False False True 546 5.343 -10.428 8.671 1
ATOM C CB . GLN A 1 83 . 83 GLN A CB 547 19.88 1.0 ? -1 -1 True False False False True 547 8.081 -10.934 9.065 1
ATOM C CG . GLN A 1 83 . 83 GLN A CG 548 22.52 0.78 ? -1 -1 True False False False True 548 9.475 -11.449 8.708 1
ATOM C CD . GLN A 1 83 . 83 GLN A CD 549 25.07 0.77 ? -1 -1 True False False False True 549 9.477 -12.571 7.651 1
ATOM O OE1 . GLN A 1 83 . 83 GLN A OE1 550 26.2 0.25 ? -1 -1 True False False False True 550 9.479 -12.325 6.463 1
ATOM N NE2 . GLN A 1 83 . 83 GLN A NE2 551 24.81 0.64 ? -1 -1 True False False False True 551 9.432 -13.834 8.139 1
ATOM N N . ARG A 1 84 . 84 ARG A N 552 12.97 0.38 ? -1 -1 True False False False True 552 5.75 -8.297 8.208 1
ATOM C CA . ARG A 1 84 . 84 ARG A CA 553 13.12 0.38 ? -1 -1 True False False False True 553 4.353 -8.043 8.49 1
ATOM C C . ARG A 1 84 . 84 ARG A C 554 11.79 0.38 ? -1 -1 True False False False True 554 3.749 -6.944 7.618 1
ATOM O O . ARG A 1 84 . 84 ARG A O 555 11.66 0.38 ? -1 -1 True False False False True 555 2.648 -6.507 7.977 1
ATOM C CB . ARG A 1 84 . 84 ARG A CB 556 14.37 0.38 ? -1 -1 True False False False True 556 4.104 -7.77 9.988 1
ATOM C CG . ARG A 1 84 . 84 ARG A CG 557 15.9 0.38 ? -1 -1 True False False False True 557 4.798 -6.583 10.513 1
ATOM C CD . ARG A 1 84 . 84 ARG A CD 558 16.82 0.38 ? -1 -1 True False False False True 558 4.179 -6.187 11.885 1
ATOM N NE . ARG A 1 84 . 84 ARG A NE 559 16.08 0.38 ? -1 -1 True False False False True 559 4.291 -4.746 11.995 1
ATOM C CZ . ARG A 1 84 . 84 ARG A CZ 560 15.81 0.38 ? -1 -1 True False False False True 560 3.302 -3.892 12.21 1
ATOM N NH1 . ARG A 1 84 . 84 ARG A NH1 561 15.6 0.38 ? -1 -1 True False False False True 561 2.065 -4.325 12.438 1
ATOM N NH2 . ARG A 1 84 . 84 ARG A NH2 562 16.32 0.38 +1 -1 -1 True False False False True 562 3.585 -2.591 12.241 1
ATOM N N . ALA A 1 85 . 85 ALA A N 563 10.6 1.0 ? -1 -1 True False False False True 563 4.408 -6.409 6.547 1
ATOM C CA . ALA A 1 85 . 85 ALA A CA 564 9.81 1.0 ? -1 -1 True False False False True 564 3.761 -5.608 5.499 1
ATOM C C . ALA A 1 85 . 85 ALA A C 565 9.51 1.0 ? -1 -1 True False False False True 565 4.204 -6.111 4.147 1
ATOM O O . ALA A 1 85 . 85 ALA A O 566 9.89 0.92 ? -1 -1 True False False False True 566 5.403 -6.322 3.92 1
ATOM C CB . ALA A 1 85 . 85 ALA A CB 567 9.84 0.92 ? -1 -1 True False False False True 567 4.11 -4.143 5.616 1
ATOM N N . ARG A 1 86 . 86 ARG A N 568 9.28 1.0 ? -1 -1 True False False False True 568 3.24 -6.282 3.249 1
ATOM C CA . ARG A 1 86 . 86 ARG A CA 569 10.08 1.0 ? -1 -1 True False False False True 569 3.516 -6.719 1.872 1
ATOM C C . ARG A 1 86 . 86 ARG A C 570 9.26 1.0 ? -1 -1 True False False False True 570 2.407 -6.229 0.965 1
ATOM O O . ARG A 1 86 . 86 ARG A O 571 10.67 1.0 ? -1 -1 True False False False True 571 1.313 -5.912 1.424 1
ATOM C CB . ARG A 1 86 . 86 ARG A CB 572 12.13 1.0 ? -1 -1 True False False False True 572 3.555 -8.274 1.788 1
ATOM C CG . ARG A 1 86 . 86 ARG A CG 573 14.07 1.0 ? -1 -1 True False False False True 573 2.203 -8.921 2.044 1
ATOM C CD . ARG A 1 86 . 86 ARG A CD 574 21.95 1.0 ? -1 -1 True False False False True 574 2.25 -10.442 2.036 1
ATOM N NE . ARG A 1 86 . 86 ARG A NE 575 31.92 1.0 ? -1 -1 True False False False True 575 0.962 -11.034 2.474 1
ATOM C CZ . ARG A 1 86 . 86 ARG A CZ 576 39.3 1.0 ? -1 -1 True False False False True 576 0.15 -11.805 1.74 1
ATOM N NH1 . ARG A 1 86 . 86 ARG A NH1 577 42.1 1.0 ? -1 -1 True False False False True 577 0.476 -12.17 0.506 1
ATOM N NH2 . ARG A 1 86 . 86 ARG A NH2 578 41.06 1.0 +1 -1 -1 True False False False True 578 -0.993 -12.247 2.284 1
ATOM N N . LEU A 1 87 . 87 LEU A N 579 8.52 0.68 ? -1 -1 True False False False True 579 2.696 -6.183 -0.327 1
ATOM C CA . LEU A 1 87 . 87 LEU A CA 580 7.68 0.68 ? -1 -1 True False False False True 580 1.639 -6.067 -1.336 1
ATOM C C . LEU A 1 87 . 87 LEU A C 581 8.62 0.68 ? -1 -1 True False False False True 581 1.102 -7.43 -1.691 1
ATOM O O . LEU A 1 87 . 87 LEU A O 582 10.38 0.68 ? -1 -1 True False False False True 582 1.84 -8.413 -1.777 1
ATOM C CB . LEU A 1 87 . 87 LEU A CB 583 8.48 0.68 ? -1 -1 True False False False True 583 2.131 -5.451 -2.631 1
ATOM C CG . LEU A 1 87 . 87 LEU A CG 584 8.2 0.68 ? -1 -1 True False False False True 584 2.474 -3.98 -2.565 1
ATOM C CD1 . LEU A 1 87 . 87 LEU A CD1 585 10.38 0.68 ? -1 -1 True False False False True 585 3.205 -3.526 -3.83 1
ATOM C CD2 . LEU A 1 87 . 87 LEU A CD2 586 10.75 0.68 ? -1 -1 True False False False True 586 1.154 -3.145 -2.499 1
ATOM N N . LEU A 1 88 . 88 LEU A N 587 9.7 1.0 ? -1 -1 True False False False True 587 -0.191 -7.503 -1.959 1
ATOM C CA . LEU A 1 88 . 88 LEU A CA 588 9.53 1.0 ? -1 -1 True False False False True 588 -0.824 -8.702 -2.523 1
ATOM C C . LEU A 1 88 . 88 LEU A C 589 9.66 1.0 ? -1 -1 True False False False True 589 -0.544 -8.631 -4.022 1
ATOM O O . LEU A 1 88 . 88 LEU A O 590 10.19 0.99 ? -1 -1 True False False False True 590 -1.26 -7.967 -4.785 1
ATOM C CB . LEU A 1 88 . 88 LEU A CB 591 10.83 1.0 ? -1 -1 True False False False True 591 -2.313 -8.728 -2.186 1
ATOM C CG . LEU A 1 88 . 88 LEU A CG 592 11.34 0.75 ? -1 -1 True False False False True 592 -2.629 -8.634 -0.67 1
ATOM C CD1 . LEU A 1 88 . 88 LEU A CD1 593 11.75 0.64 ? -1 -1 True False False False True 593 -4.13 -8.767 -0.474 1
ATOM C CD2 . LEU A 1 88 . 88 LEU A CD2 594 12.1 0.69 ? -1 -1 True False False False True 594 -1.879 -9.688 0.164 1
ATOM N N . LYS A 1 89 . 89 LYS A N 595 9.93 0.43 ? -1 -1 True False False False True 595 0.556 -9.234 -4.461 1
ATOM C CA . LYS A 1 89 . 89 LYS A CA 596 9.85 0.43 ? -1 -1 True False False False True 596 1.084 -8.888 -5.79 1
ATOM C C . LYS A 1 89 . 89 LYS A C 597 11.08 0.43 ? -1 -1 True False False False True 597 0.228 -9.439 -6.93 1
ATOM O O . LYS A 1 89 . 89 LYS A O 598 10.49 0.43 ? -1 -1 True False False False True 598 0.196 -8.859 -8.029 1
ATOM C CB . LYS A 1 89 . 89 LYS A CB 599 9.33 0.43 ? -1 -1 True False False False True 599 2.572 -9.239 -5.857 1
ATOM C CG . LYS A 1 89 . 89 LYS A CG 600 8.92 0.43 ? -1 -1 True False False False True 600 3.454 -8.349 -4.978 1
ATOM C CD . LYS A 1 89 . 89 LYS A CD 601 10.65 0.43 ? -1 -1 True False False False True 601 4.845 -8.805 -4.695 1
ATOM C CE . LYS A 1 89 . 89 LYS A CE 602 10.63 0.43 ? -1 -1 True False False False True 602 4.801 -9.966 -3.676 1
ATOM N NZ . LYS A 1 89 . 89 LYS A NZ 603 10.93 0.43 +1 -1 -1 True False False False True 603 4.349 -9.562 -2.299 1
ATOM N N . ASP A 1 90 . 90 ASP A N 604 12.92 1.0 ? -1 -1 True False False False True 604 -0.537 -10.495 -6.699 1
ATOM C CA . ASP A 1 90 . 90 ASP A CA 605 15.52 1.0 ? -1 -1 True False False False True 605 -1.487 -10.924 -7.744 1
ATOM C C . ASP A 1 90 . 90 ASP A C 606 14.17 1.0 ? -1 -1 True False False False True 606 -2.656 -9.943 -7.956 1
ATOM O O . ASP A 1 90 . 90 ASP A O 607 18.08 0.87 ? -1 -1 True False False False True 607 -3.276 -9.953 -9.017 1
ATOM C CB . ASP A 1 90 . 90 ASP A CB 608 21.51 1.0 ? -1 -1 True False False False True 608 -1.911 -12.379 -7.505 1
ATOM C CG . ASP A 1 90 . 90 ASP A CG 609 24.6 1.0 ? -1 -1 True False False False True 609 -2.65 -12.598 -6.257 1
ATOM O OD1 . ASP A 1 90 . 90 ASP A OD1 610 23.89 0.96 ? -1 -1 True False False False True 610 -2.849 -11.705 -5.379 1
ATOM O OD2 . ASP A 1 90 . 90 ASP A OD2 611 26.82 0.67 ? -1 -1 True False False False True 611 -3.044 -13.809 -6.153 1
ATOM N N . GLN A 1 91 . 91 GLN A N 612 11.75 1.0 ? -1 -1 True False False False True 612 -2.871 -9.023 -7.071 1
ATOM C CA . GLN A 1 91 . 91 GLN A CA 613 12.16 0.99 ? -1 -1 True False False False True 613 -3.885 -8.001 -7.272 1
ATOM C C . GLN A 1 91 . 91 GLN A C 614 11.19 1.0 ? -1 -1 True False False False True 614 -3.414 -6.886 -8.182 1
ATOM O O . GLN A 1 91 . 91 GLN A O 615 10.99 1.0 ? -1 -1 True False False False True 615 -4.245 -6.168 -8.741 1
ATOM C CB . GLN A 1 91 . 91 GLN A CB 616 12.95 1.0 ? -1 -1 True False False False True 616 -4.342 -7.407 -5.901 1
ATOM C CG . GLN A 1 91 . 91 GLN A CG 617 14.05 0.87 ? -1 -1 True False False False True 617 -5.193 -8.334 -5.108 1
ATOM C CD . GLN A 1 91 . 91 GLN A CD 618 15.13 0.83 ? -1 -1 True False False False True 618 -6.583 -8.482 -5.751 1
ATOM O OE1 . GLN A 1 91 . 91 GLN A OE1 619 15.75 0.77 ? -1 -1 True False False False True 619 -7.288 -7.488 -6.081 1
ATOM N NE2 . GLN A 1 91 . 91 GLN A NE2 620 17.64 0.96 ? -1 -1 True False False False True 620 -6.945 -9.713 -6.01 1
ATOM N N . LEU A 1 92 . 92 LEU A N 621 11.38 0.96 ? -1 -1 True False False False True 621 -2.13 -6.71 -8.373 1
ATOM C CA . LEU A 1 92 . 92 LEU A CA 622 11.85 1.0 ? -1 -1 True False False False True 622 -1.633 -5.617 -9.194 1
ATOM C C . LEU A 1 92 . 92 LEU A C 623 13.86 1.0 ? -1 -1 True False False False True 623 -2.117 -5.709 -10.619 1
ATOM O O . LEU A 1 92 . 92 LEU A O 624 15.19 1.0 ? -1 -1 True False False False True 624 -2.393 -4.708 -11.246 1
ATOM C CB . LEU A 1 92 . 92 LEU A CB 625 12.75 1.0 ? -1 -1 True False False False True 625 -0.097 -5.573 -9.146 1
ATOM C CG . LEU A 1 92 . 92 LEU A CG 626 11.64 0.98 ? -1 -1 True False False False True 626 0.505 -5.259 -7.802 1
ATOM C CD1 . LEU A 1 92 . 92 LEU A CD1 627 13.05 0.84 ? -1 -1 True False False False True 627 1.987 -5.553 -7.81 1
ATOM C CD2 . LEU A 1 92 . 92 LEU A CD2 628 10.5 0.93 ? -1 -1 True False False False True 628 0.197 -3.807 -7.36 1
ATOM N N . SER A 1 93 . 93 SER A N 629 16.82 0.61 ? -1 -1 True False False False True 629 -2.28 -6.91 -11.188 1
ATOM C CA . SER A 1 93 . 93 SER A CA 630 18.85 0.61 ? -1 -1 True False False False True 630 -2.798 -7.008 -12.582 1
ATOM C C . SER A 1 93 . 93 SER A C 631 19.81 0.61 ? -1 -1 True False False False True 631 -4.251 -6.667 -12.721 1
ATOM O O . SER A 1 93 . 93 SER A O 632 22.24 0.61 ? -1 -1 True False False False True 632 -4.743 -6.613 -13.866 1
ATOM C CB . SER A 1 93 . 93 SER A CB 633 20.22 0.61 ? -1 -1 True False False False True 633 -2.581 -8.353 -13.212 1
ATOM O OG . SER A 1 93 . 93 SER A OG 634 18.98 0.61 ? -1 -1 True False False False True 634 -3.432 -9.278 -12.577 1
ATOM N N . LEU A 1 94 . 94 LEU A N 635 18.4 1.0 ? -1 -1 True False False False True 635 -4.938 -6.565 -11.609 1
ATOM C CA . LEU A 1 94 . 94 LEU A CA 636 18.34 1.0 ? -1 -1 True False False False True 636 -6.28 -6.132 -11.594 1
ATOM C C . LEU A 1 94 . 94 LEU A C 637 16.32 1.0 ? -1 -1 True False False False True 637 -6.337 -4.653 -11.347 1
ATOM O O . LEU A 1 94 . 94 LEU A O 638 16.5 0.78 ? -1 -1 True False False False True 638 -7.414 -4.129 -11.18 1
ATOM C CB . LEU A 1 94 . 94 LEU A CB 639 18.55 1.0 ? -1 -1 True False False False True 639 -7.061 -6.895 -10.542 1
ATOM C CG . LEU A 1 94 . 94 LEU A CG 640 18.99 0.91 ? -1 -1 True False False False True 640 -7.028 -8.382 -10.672 1
ATOM C CD1 . LEU A 1 94 . 94 LEU A CD1 641 19.54 0.75 ? -1 -1 True False False False True 641 -7.84 -9.018 -9.531 1
ATOM C CD2 . LEU A 1 94 . 94 LEU A CD2 642 18.62 0.78 ? -1 -1 True False False False True 642 -7.578 -8.799 -12.026 1
ATOM N N . GLY A 1 95 . 95 GLY A N 643 12.8 1.0 ? -1 -1 True False False False True 643 -5.198 -3.963 -11.283 1
ATOM C CA . GLY A 1 95 . 95 GLY A CA 644 11.36 1.0 ? -1 -1 True False False False True 644 -5.214 -2.556 -10.956 1
ATOM C C . GLY A 1 95 . 95 GLY A C 645 9.63 1.0 ? -1 -1 True False False False True 645 -5.465 -2.261 -9.515 1
ATOM O O . GLY A 1 95 . 95 GLY A O 646 11.0 1.0 ? -1 -1 True False False False True 646 -5.978 -1.202 -9.19 1
ATOM N N . ASN A 1 96 . 96 ASN A N 647 9.35 0.98 ? -1 -1 True False False False True 647 -5.086 -3.141 -8.607 1
ATOM C CA . ASN A 1 96 . 96 ASN A CA 648 8.8 0.99 ? -1 -1 True False False False True 648 -5.319 -2.957 -7.174 1
ATOM C C . ASN A 1 96 . 96 ASN A C 649 8.38 1.0 ? -1 -1 True False False False True 649 -3.971 -3.079 -6.453 1
ATOM O O . ASN A 1 96 . 96 ASN A O 650 9.29 1.0 ? -1 -1 True False False False True 650 -3.343 -4.143 -6.493 1
ATOM C CB . ASN A 1 96 . 96 ASN A CB 651 9.9 1.0 ? -1 -1 True False False False True 651 -6.289 -4.0 -6.678 1
ATOM C CG . ASN A 1 96 . 96 ASN A CG 652 10.84 1.0 ? -1 -1 True False False False True 652 -6.665 -3.857 -5.24 1
ATOM O OD1 . ASN A 1 96 . 96 ASN A OD1 653 10.51 0.78 ? -1 -1 True False False False True 653 -6.442 -2.812 -4.605 1
ATOM N ND2 . ASN A 1 96 . 96 ASN A ND2 654 11.31 0.87 ? -1 -1 True False False False True 654 -7.159 -4.944 -4.659 1
ATOM N N . ALA A 1 97 . 97 ALA A N 655 7.36 0.92 ? -1 -1 True False False False True 655 -3.545 -1.976 -5.836 1
ATOM C CA . ALA A 1 97 . 97 ALA A CA 656 7.26 0.87 ? -1 -1 True False False False True 656 -2.395 -1.951 -4.951 1
ATOM C C . ALA A 1 97 . 97 ALA A C 657 6.88 0.87 ? -1 -1 True False False False True 657 -2.929 -2.161 -3.532 1
ATOM O O . ALA A 1 97 . 97 ALA A O 658 7.98 0.89 ? -1 -1 True False False False True 658 -3.523 -1.244 -2.935 1
ATOM C CB . ALA A 1 97 . 97 ALA A CB 659 7.47 0.79 ? -1 -1 True False False False True 659 -1.65 -0.622 -5.078 1
ATOM N N . ALA A 1 98 . 98 ALA A N 660 7.37 0.97 ? -1 -1 True False False False True 660 -2.813 -3.389 -3.047 1
ATOM C CA . ALA A 1 98 . 98 ALA A CA 661 7.63 0.99 ? -1 -1 True False False False True 661 -3.414 -3.826 -1.814 1
ATOM C C . ALA A 1 98 . 98 ALA A C 662 7.09 0.88 ? -1 -1 True False False False True 662 -2.285 -4.101 -0.823 1
ATOM O O . ALA A 1 98 . 98 ALA A O 663 8.11 0.89 ? -1 -1 True False False False True 663 -1.501 -5.056 -0.997 1
ATOM C CB . ALA A 1 98 . 98 ALA A CB 664 8.91 1.0 ? -1 -1 True False False False True 664 -4.241 -5.067 -2.041 1
ATOM N N . LEU A 1 99 . 99 LEU A N 665 6.93 0.88 ? -1 -1 True False False False True 665 -2.203 -3.249 0.195 1
ATOM C CA . LEU A 1 99 . 99 LEU A CA 666 6.75 0.88 ? -1 -1 True False False False True 666 -1.197 -3.357 1.267 1
ATOM C C . LEU A 1 99 . 99 LEU A C 667 6.87 0.88 ? -1 -1 True False False False True 667 -1.796 -4.126 2.416 1
ATOM O O . LEU A 1 99 . 99 LEU A O 668 7.3 0.88 ? -1 -1 True False False False True 668 -2.79 -3.682 3.007 1
ATOM C CB . LEU A 1 99 . 99 LEU A CB 669 7.53 0.88 ? -1 -1 True False False False True 669 -0.803 -1.957 1.734 1
ATOM C CG . LEU A 1 99 . 99 LEU A CG 670 8.38 0.88 ? -1 -1 True False False False True 670 0.052 -1.899 2.988 1
ATOM C CD1 . LEU A 1 99 . 99 LEU A CD1 671 11.51 0.88 ? -1 -1 True False False False True 671 1.429 -2.459 2.698 1
ATOM C CD2 . LEU A 1 99 . 99 LEU A CD2 672 8.92 0.88 ? -1 -1 True False False False True 672 0.172 -0.47 3.504 1
ATOM N N . GLN A 1 100 . 100 GLN A N 673 8.46 1.0 ? -1 -1 True False False False True 673 -1.193 -5.246 2.756 1
ATOM C CA . GLN A 1 100 . 100 GLN A CA 674 9.08 1.0 ? -1 -1 True False False False True 674 -1.591 -6.003 3.947 1
ATOM C C . GLN A 1 100 . 100 GLN A C 675 9.05 1.0 ? -1 -1 True False False False True 675 -0.558 -5.804 5.045 1
ATOM O O . GLN A 1 100 . 100 GLN A O 676 10.64 0.94 ? -1 -1 True False False False True 676 0.642 -5.983 4.821 1
ATOM C CB . GLN A 1 100 . 100 GLN A CB 677 10.79 1.0 ? -1 -1 True False False False True 677 -1.715 -7.495 3.602 1
ATOM C CG . GLN A 1 100 . 100 GLN A CG 678 14.84 0.98 ? -1 -1 True False False False True 678 -2.212 -8.278 4.814 1
ATOM C CD . GLN A 1 100 . 100 GLN A CD 679 20.94 0.73 ? -1 -1 True False False False True 679 -2.067 -9.797 4.557 1
ATOM O OE1 . GLN A 1 100 . 100 GLN A OE1 680 21.66 0.62 ? -1 -1 True False False False True 680 -0.978 -10.339 4.43 1
ATOM N NE2 . GLN A 1 100 . 100 GLN A NE2 681 23.42 0.58 ? -1 -1 True False False False True 681 -3.142 -10.451 4.38 1
ATOM N N . ILE A 1 101 . 101 ILE A N 682 9.22 1.0 ? -1 -1 True False False False True 682 -1.049 -5.46 6.235 1
ATOM C CA . ILE A 1 101 . 101 ILE A CA 683 9.42 1.0 ? -1 -1 True False False False True 683 -0.231 -5.374 7.434 1
ATOM C C . ILE A 1 101 . 101 ILE A C 684 9.7 0.92 ? -1 -1 True False False False True 684 -0.813 -6.357 8.445 1
ATOM O O . ILE A 1 101 . 101 ILE A O 685 11.3 0.98 ? -1 -1 True False False False True 685 -1.997 -6.274 8.78 1
ATOM C CB . ILE A 1 101 . 101 ILE A CB 686 10.94 0.97 ? -1 -1 True False False False True 686 -0.163 -3.943 8.007 1
ATOM C CG1 . ILE A 1 101 . 101 ILE A CG1 687 11.15 0.89 ? -1 -1 True False False False True 687 0.538 -3.012 6.97 1
ATOM C CG2 . ILE A 1 101 . 101 ILE A CG2 688 14.03 0.92 ? -1 -1 True False False False True 688 0.564 -3.973 9.332 1
ATOM C CD1 . ILE A 1 101 . 101 ILE A CD1 689 10.58 0.68 ? -1 -1 True False False False True 689 0.686 -1.581 7.394 1
ATOM N N . THR A 1 102 . 102 THR A N 690 10.28 1.0 ? -1 -1 True False False False True 690 0.019 -7.26 8.932 1
ATOM C CA . THR A 1 102 . 102 THR A CA 691 11.24 1.0 ? -1 -1 True False False False True 691 -0.391 -8.246 9.902 1
ATOM C C . THR A 1 102 . 102 THR A C 692 11.26 1.0 ? -1 -1 True False False False True 692 -0.109 -7.761 11.328 1
ATOM O O . THR A 1 102 . 102 THR A O 693 12.24 0.84 ? -1 -1 True False False False True 693 0.843 -7.031 11.584 1
ATOM C CB . THR A 1 102 . 102 THR A CB 694 13.66 0.93 ? -1 -1 True False False False True 694 0.209 -9.61 9.622 1
ATOM O OG1 . THR A 1 102 . 102 THR A OG1 695 12.24 0.6 ? -1 -1 True False False False True 695 1.555 -9.558 9.716 1
ATOM C CG2 . THR A 1 102 . 102 THR A CG2 696 16.66 0.92 ? -1 -1 True False False False True 696 -0.099 -10.084 8.259 1
ATOM N N . ASP A 1 103 . 103 ASP A N 697 11.87 0.99 ? -1 -1 True False False False True 697 -0.972 -8.21 12.228 1
ATOM C CA . ASP A 1 103 . 103 ASP A CA 698 13.09 0.98 ? -1 -1 True False False False True 698 -0.857 -7.976 13.661 1
ATOM C C . ASP A 1 103 . 103 ASP A C 699 11.84 1.0 ? -1 -1 True False False False True 699 -0.768 -6.472 13.962 1
ATOM O O . ASP A 1 103 . 103 ASP A O 700 13.09 1.0 ? -1 -1 True False False False True 700 0.23 -5.908 14.422 1
ATOM C CB . ASP A 1 103 . 103 ASP A CB 701 14.28 0.88 ? -1 -1 True False False False True 701 0.318 -8.729 14.254 1
ATOM C CG . ASP A 1 103 . 103 ASP A CG 702 17.48 0.75 ? -1 -1 True False False False True 702 0.277 -8.753 15.753 1
ATOM O OD1 . ASP A 1 103 . 103 ASP A OD1 703 18.87 0.71 ? -1 -1 True False False False True 703 -0.736 -8.356 16.373 1
ATOM O OD2 . ASP A 1 103 . 103 ASP A OD2 704 18.89 0.56 ? -1 -1 True False False False True 704 1.279 -9.172 16.34 1
ATOM N N . VAL A 1 104 . 104 VAL A N 705 11.98 1.0 ? -1 -1 True False False False True 705 -1.897 -5.822 13.671 1
ATOM C CA . VAL A 1 104 . 104 VAL A CA 706 11.63 1.0 ? -1 -1 True False False False True 706 -2.014 -4.374 13.79 1
ATOM C C . VAL A 1 104 . 104 VAL A C 707 11.65 0.98 ? -1 -1 True False False False True 707 -1.84 -3.907 15.233 1
ATOM O O . VAL A 1 104 . 104 VAL A O 708 13.57 0.87 ? -1 -1 True False False False True 708 -2.397 -4.498 16.178 1
ATOM C CB . VAL A 1 104 . 104 VAL A CB 709 14.29 0.99 ? -1 -1 True False False False True 709 -3.365 -3.929 13.224 1
ATOM C CG1 . VAL A 1 104 . 104 VAL A CG1 710 14.4 0.64 ? -1 -1 True False False False True 710 -3.691 -2.476 13.486 1
ATOM C CG2 . VAL A 1 104 . 104 VAL A CG2 711 15.71 1.0 ? -1 -1 True False False False True 711 -3.345 -4.157 11.704 1
ATOM N N . LYS A 1 105 . 105 LYS A N 712 9.74 0.85 ? -1 -1 True False False False True 712 -1.079 -2.828 15.412 1
ATOM C CA . LYS A 1 105 . 105 LYS A CA 713 9.85 0.85 ? -1 -1 True False False False True 713 -0.775 -2.213 16.684 1
ATOM C C . LYS A 1 105 . 105 LYS A C 714 9.4 0.9 ? -1 -1 True False False False True 714 -1.404 -0.832 16.783 1
ATOM O O . LYS A 1 105 . 105 LYS A O 715 10.17 0.98 ? -1 -1 True False False False True 715 -1.783 -0.237 15.789 1
ATOM C CB . LYS A 1 105 . 105 LYS A CB 716 10.97 0.76 ? -1 -1 True False False False True 716 0.74 -2.089 16.853 1
ATOM C CG . LYS A 1 105 . 105 LYS A CG 717 12.17 0.69 ? -1 -1 True False False False True 717 1.419 -3.477 16.911 1
ATOM C CD . LYS A 1 105 . 105 LYS A CD 718 13.68 0.51 ? -1 -1 True False False False True 718 1.051 -4.25 18.16 1
ATOM C CE . LYS A 1 105 . 105 LYS A CE 719 15.49 0.43 ? -1 -1 True False False False True 719 1.772 -5.563 18.332 1
ATOM N NZ . LYS A 1 105 . 105 LYS A NZ 720 16.6 0.46 +1 -1 -1 True False False False True 720 1.343 -6.264 19.557 1
ATOM N N . LEU A 1 106 . 106 LEU A N 721 10.14 1.0 ? -1 -1 True False False False True 721 -1.475 -0.297 18.013 1
ATOM C CA . LEU A 1 106 . 106 LEU A CA 722 10.0 0.98 ? -1 -1 True False False False True 722 -2.032 1.06 18.163 1
ATOM C C . LEU A 1 106 . 106 LEU A C 723 10.85 0.97 ? -1 -1 True False False False True 723 -1.265 2.078 17.317 1
ATOM O O . LEU A 1 106 . 106 LEU A O 724 11.49 0.88 ? -1 -1 True False False False True 724 -1.856 2.986 16.755 1
ATOM C CB . LEU A 1 106 . 106 LEU A CB 725 9.54 0.94 ? -1 -1 True False False False True 725 -2.01 1.486 19.623 1
ATOM C CG . LEU A 1 106 . 106 LEU A CG 726 10.25 0.96 ? -1 -1 True False False False True 726 -2.831 0.634 20.602 1
ATOM C CD1 . LEU A 1 106 . 106 LEU A CD1 727 11.39 1.0 ? -1 -1 True False False False True 727 -2.66 1.168 21.976 1
ATOM C CD2 . LEU A 1 106 . 106 LEU A CD2 728 11.13 0.82 ? -1 -1 True False False False True 728 -4.297 0.56 20.195 1
ATOM N N . GLN A 1 107 . 107 GLN A N 729 11.37 0.89 ? -1 -1 True False False False True 729 0.04 1.929 17.232 1
ATOM C CA . GLN A 1 107 . 107 GLN A CA 730 12.02 0.8 ? -1 -1 True False False False True 730 0.884 2.867 16.473 1
ATOM C C . GLN A 1 107 . 107 GLN A C 731 12.12 0.84 ? -1 -1 True False False False True 731 0.759 2.712 14.97 1
ATOM O O . GLN A 1 107 . 107 GLN A O 732 14.65 0.92 ? -1 -1 True False False False True 732 1.35 3.507 14.223 1
ATOM C CB . GLN A 1 107 . 107 GLN A CB 733 13.58 0.74 ? -1 -1 True False False False True 733 2.359 2.776 16.915 1
ATOM C CG . GLN A 1 107 . 107 GLN A CG 734 13.28 0.73 ? -1 -1 True False False False True 734 2.942 1.448 16.692 1
ATOM C CD . GLN A 1 107 . 107 GLN A CD 735 13.49 0.73 ? -1 -1 True False False False True 735 2.853 0.467 17.871 1
ATOM O OE1 . GLN A 1 107 . 107 GLN A OE1 736 13.42 0.9 ? -1 -1 True False False False True 736 2.025 0.623 18.762 1
ATOM N NE2 . GLN A 1 107 . 107 GLN A NE2 737 14.29 0.68 ? -1 -1 True False False False True 737 3.691 -0.593 17.853 1
ATOM N N . ASP A 1 108 . 108 ASP A N 738 11.73 0.94 ? -1 -1 True False False False True 738 -0.028 1.754 14.474 1
ATOM C CA . ASP A 1 108 . 108 ASP A CA 739 11.21 0.96 ? -1 -1 True False False False True 739 -0.393 1.681 13.074 1
ATOM C C . ASP A 1 108 . 108 ASP A C 740 9.81 0.92 ? -1 -1 True False False False True 740 -1.525 2.615 12.731 1
ATOM O O . ASP A 1 108 . 108 ASP A O 741 10.16 0.91 ? -1 -1 True False False False True 741 -1.845 2.757 11.542 1
ATOM C CB . ASP A 1 108 . 108 ASP A CB 742 12.01 1.0 ? -1 -1 True False False False True 742 -0.681 0.236 12.667 1
ATOM C CG . ASP A 1 108 . 108 ASP A CG 743 12.52 0.91 ? -1 -1 True False False False True 743 0.541 -0.698 12.714 1
ATOM O OD1 . ASP A 1 108 . 108 ASP A OD1 744 13.73 0.76 ? -1 -1 True False False False True 744 1.626 -0.271 12.284 1
ATOM O OD2 . ASP A 1 108 . 108 ASP A OD2 745 13.52 0.95 ? -1 -1 True False False False True 745 0.402 -1.83 13.195 1
ATOM N N . ALA A 1 109 . 109 ALA A N 746 9.5 0.92 ? -1 -1 True False False False True 746 -2.159 3.266 13.688 1
ATOM C CA . ALA A 1 109 . 109 ALA A CA 747 9.51 0.92 ? -1 -1 True False False False True 747 -3.145 4.291 13.397 1
ATOM C C . ALA A 1 109 . 109 ALA A C 748 9.64 0.92 ? -1 -1 True False False False True 748 -2.442 5.508 12.799 1
ATOM O O . ALA A 1 109 . 109 ALA A O 749 10.91 0.92 ? -1 -1 True False False False True 749 -1.346 5.883 13.241 1
ATOM C CB . ALA A 1 109 . 109 ALA A CB 750 9.91 0.92 ? -1 -1 True False False False True 750 -3.908 4.661 14.638 1
ATOM N N . GLY A 1 110 . 110 GLY A N 751 9.64 1.0 ? -1 -1 True False False False True 751 -3.072 6.103 11.817 1
ATOM C CA . GLY A 1 110 . 110 GLY A CA 752 9.74 0.9 ? -1 -1 True False False False True 752 -2.539 7.323 11.22 1
ATOM C C . GLY A 1 110 . 110 GLY A C 753 8.7 0.99 ? -1 -1 True False False False True 753 -2.899 7.409 9.762 1
ATOM O O . GLY A 1 110 . 110 GLY A O 754 9.07 0.98 ? -1 -1 True False False False True 754 -3.78 6.709 9.269 1
ATOM N N . VAL A 1 111 . 111 VAL A N 755 8.98 0.99 ? -1 -1 True False False False True 755 -2.201 8.289 9.073 1
ATOM C CA . VAL A 1 111 . 111 VAL A CA 756 9.55 1.0 ? -1 -1 True False False False True 756 -2.472 8.594 7.665 1
ATOM C C . VAL A 1 111 . 111 VAL A C 757 8.73 0.91 ? -1 -1 True False False False True 757 -1.432 7.881 6.804 1
ATOM O O . VAL A 1 111 . 111 VAL A O 758 10.7 0.94 ? -1 -1 True False False False True 758 -0.214 8.056 6.971 1
ATOM C CB . VAL A 1 111 . 111 VAL A CB 759 11.78 1.0 ? -1 -1 True False False False True 759 -2.45 10.11 7.398 1
ATOM C CG1 . VAL A 1 111 . 111 VAL A CG1 760 13.48 0.82 ? -1 -1 True False False False True 760 -2.696 10.37 5.947 1
ATOM C CG2 . VAL A 1 111 . 111 VAL A CG2 761 12.28 0.87 ? -1 -1 True False False False True 761 -3.497 10.806 8.253 1
ATOM N N . TYR A 1 112 . 112 TYR A N 762 8.58 1.0 ? -1 -1 True False False False True 762 -1.918 7.106 5.878 1
ATOM C CA . TYR A 1 112 . 112 TYR A CA 763 8.5 1.0 ? -1 -1 True False False False True 763 -1.127 6.357 4.906 1
ATOM C C . TYR A 1 112 . 112 TYR A C 764 8.79 1.0 ? -1 -1 True False False False True 764 -1.275 7.029 3.557 1
ATOM O O . TYR A 1 112 . 112 TYR A O 765 11.41 0.98 ? -1 -1 True False False False True 765 -2.343 7.517 3.194 1
ATOM C CB . TYR A 1 112 . 112 TYR A CB 766 8.03 0.91 ? -1 -1 True False False False True 766 -1.695 4.919 4.801 1
ATOM C CG . TYR A 1 112 . 112 TYR A CG 767 7.79 0.96 ? -1 -1 True False False False True 767 -1.46 4.071 6.037 1
ATOM C CD1 . TYR A 1 112 . 112 TYR A CD1 768 8.14 0.93 ? -1 -1 True False False False True 768 -2.102 4.337 7.225 1
ATOM C CD2 . TYR A 1 112 . 112 TYR A CD2 769 7.86 0.89 ? -1 -1 True False False False True 769 -0.578 3.023 6.014 1
ATOM C CE1 . TYR A 1 112 . 112 TYR A CE1 770 7.98 0.88 ? -1 -1 True False False False True 770 -1.823 3.592 8.349 1
ATOM C CE2 . TYR A 1 112 . 112 TYR A CE2 771 7.91 0.83 ? -1 -1 True False False False True 771 -0.327 2.253 7.122 1
ATOM C CZ . TYR A 1 112 . 112 TYR A CZ 772 8.03 0.88 ? -1 -1 True False False False True 772 -0.951 2.54 8.309 1
ATOM O OH . TYR A 1 112 . 112 TYR A OH 773 10.52 1.0 ? -1 -1 True False False False True 773 -0.659 1.771 9.41 1
ATOM N N . ARG A 1 113 . 113 ARG A N 774 7.14 0.57 ? -1 -1 True False False False True 774 -0.207 7.044 2.803 1
ATOM C CA . ARG A 1 113 . 113 ARG A CA 775 6.98 0.57 ? -1 -1 True False False False True 775 -0.256 7.479 1.419 1
ATOM C C . ARG A 1 113 . 113 ARG A C 776 6.36 0.57 ? -1 -1 True False False False True 776 0.149 6.324 0.515 1
ATOM O O . ARG A 1 113 . 113 ARG A O 777 7.72 0.57 ? -1 -1 True False False False True 777 1.161 5.663 0.738 1
ATOM C CB . ARG A 1 113 . 113 ARG A CB 778 9.75 0.57 ? -1 -1 True False False False True 778 0.735 8.628 1.192 1
ATOM C CG . ARG A 1 113 . 113 ARG A CG 779 13.55 0.57 ? -1 -1 True False False False True 779 0.269 9.912 1.688 1
ATOM C CD . ARG A 1 113 . 113 ARG A CD 780 18.79 0.57 ? -1 -1 True False False False True 780 1.403 10.972 1.795 1
ATOM N NE . ARG A 1 113 . 113 ARG A NE 781 22.65 0.57 ? -1 -1 True False False False True 781 2.525 10.659 2.766 1
ATOM C CZ . ARG A 1 113 . 113 ARG A CZ 782 24.63 0.57 ? -1 -1 True False False False True 782 2.455 10.209 4.045 1
ATOM N NH1 . ARG A 1 113 . 113 ARG A NH1 783 25.16 0.57 ? -1 -1 True False False False True 783 1.281 9.842 4.659 1
ATOM N NH2 . ARG A 1 113 . 113 ARG A NH2 784 20.88 0.57 +1 -1 -1 True False False False True 784 3.622 10.067 4.723 1
ATOM N N . CYS A 1 114 . 114 CYS A N 785 5.66 1.0 ? -1 -1 True False False False True 785 -0.648 6.111 -0.528 1
ATOM C CA . CYS A 1 114 . 114 CYS A CA 786 5.56 1.0 ? -1 -1 True False False False True 786 -0.289 5.228 -1.609 1
ATOM C C . CYS A 1 114 . 114 CYS A C 787 5.9 1.0 ? -1 -1 True False False False True 787 0.095 6.11 -2.808 1
ATOM O O . CYS A 1 114 . 114 CYS A O 788 7.94 1.0 ? -1 -1 True False False False True 788 -0.672 6.981 -3.194 1
ATOM C CB . CYS A 1 114 . 114 CYS A CB 789 5.49 1.0 ? -1 -1 True False False False True 789 -1.437 4.295 -2.015 1
ATOM S SG . CYS A 1 114 . 114 CYS A SG 790 6.26 1.0 ? -1 -1 True False False False True 790 -2.889 5.18 -2.665 1
ATOM N N . MET A 1 115 . 115 MET A N 791 5.51 0.57 ? -1 -1 True False False False True 791 1.285 5.88 -3.357 1
ATOM C CA . MET A 1 115 . 115 MET A CA 792 6.36 0.57 ? -1 -1 True False False False True 792 1.807 6.64 -4.513 1
ATOM C C . MET A 1 115 . 115 MET A C 793 6.62 0.57 ? -1 -1 True False False False True 793 2.003 5.639 -5.631 1
ATOM O O . MET A 1 115 . 115 MET A O 794 7.38 0.57 ? -1 -1 True False False False True 794 2.645 4.613 -5.428 1
ATOM C CB . MET A 1 115 . 115 MET A CB 795 6.79 0.57 ? -1 -1 True False False False True 795 3.113 7.335 -4.097 1
ATOM C CG . MET A 1 115 . 115 MET A CG 796 7.6 0.57 ? -1 -1 True False False True True 796 2.842 8.54 -3.124 1
ATOM S SD . MET A 1 115 . 115 MET A SD 797 7.1 0.57 ? -1 -1 True False False True True 797 4.26 8.943 -2.113 1
ATOM C CE . MET A 1 115 . 115 MET A CE 798 7.91 0.57 ? -1 -1 True False False False True 798 4.091 7.72 -0.756 1
ATOM N N . ILE A 1 116 . 116 ILE A N 799 6.47 0.94 ? -1 -1 True False False False True 799 1.453 5.896 -6.802 1
ATOM C CA . ILE A 1 116 . 116 ILE A CA 800 6.43 0.9 ? -1 -1 True False False False True 800 1.524 4.975 -7.928 1
ATOM C C . ILE A 1 116 . 116 ILE A C 801 6.81 0.89 ? -1 -1 True False False False True 801 1.946 5.73 -9.168 1
ATOM O O . ILE A 1 116 . 116 ILE A O 802 7.91 0.96 ? -1 -1 True False False False True 802 1.365 6.769 -9.511 1
ATOM C CB . ILE A 1 116 . 116 ILE A CB 803 7.94 1.0 ? -1 -1 True False False False True 803 0.172 4.248 -8.16 1
ATOM C CG1 . ILE A 1 116 . 116 ILE A CG1 804 7.62 0.85 ? -1 -1 True False False False True 804 -0.256 3.517 -6.846 1
ATOM C CG2 . ILE A 1 116 . 116 ILE A CG2 805 9.05 1.0 ? -1 -1 True False False False True 805 0.275 3.296 -9.338 1
ATOM C CD1 . ILE A 1 116 . 116 ILE A CD1 806 7.59 0.74 ? -1 -1 True False False False True 806 -1.583 2.825 -6.895 1
ATOM N N . SER A 1 117 . 117 SER A N 807 6.16 0.87 ? -1 -1 True False False False True 807 2.951 5.197 -9.855 1
ATOM C CA . SER A 1 117 . 117 SER A CA 808 7.58 1.0 ? -1 -1 True False False False True 808 3.329 5.632 -11.189 1
ATOM C C . SER A 1 117 . 117 SER A C 809 7.53 1.0 ? -1 -1 True False False False True 809 3.075 4.461 -12.137 1
ATOM O O . SER A 1 117 . 117 SER A O 810 7.84 0.99 ? -1 -1 True False False False True 810 3.571 3.339 -11.917 1
ATOM C CB . SER A 1 117 . 117 SER A CB 811 8.39 1.0 ? -1 -1 True False False False True 811 4.801 6.034 -11.239 1
ATOM O OG . SER A 1 117 . 117 SER A OG 812 8.77 1.0 ? -1 -1 True False False False True 812 5.239 6.283 -12.559 1
ATOM N N . TYR A 1 118 . 118 TYR A N 813 7.91 1.0 ? -1 -1 True False False False True 813 2.309 4.714 -13.182 1
ATOM C CA . TYR A 1 118 . 118 TYR A CA 814 8.5 1.0 ? -1 -1 True False False False True 814 2.013 3.711 -14.193 1
ATOM C C . TYR A 1 118 . 118 TYR A C 815 8.97 1.0 ? -1 -1 True False False False True 815 1.697 4.496 -15.454 1
ATOM O O . TYR A 1 118 . 118 TYR A O 816 10.54 1.0 ? -1 -1 True False False False True 816 0.543 4.675 -15.847 1
ATOM C CB . TYR A 1 118 . 118 TYR A CB 817 8.65 1.0 ? -1 -1 True False False False True 817 0.841 2.82 -13.765 1
ATOM C CG . TYR A 1 118 . 118 TYR A CG 818 8.59 1.0 ? -1 -1 True False False False True 818 0.57 1.668 -14.676 1
ATOM C CD1 . TYR A 1 118 . 118 TYR A CD1 819 8.68 0.9 ? -1 -1 True False False False True 819 1.524 0.684 -14.876 1
ATOM C CD2 . TYR A 1 118 . 118 TYR A CD2 820 8.71 0.83 ? -1 -1 True False False False True 820 -0.633 1.546 -15.374 1
ATOM C CE1 . TYR A 1 118 . 118 TYR A CE1 821 9.63 0.95 ? -1 -1 True False False False True 821 1.327 -0.375 -15.715 1
ATOM C CE2 . TYR A 1 118 . 118 TYR A CE2 822 10.02 0.88 ? -1 -1 True False False False True 822 -0.863 0.49 -16.215 1
ATOM C CZ . TYR A 1 118 . 118 TYR A CZ 823 10.8 1.0 ? -1 -1 True False False False True 823 0.107 -0.479 -16.377 1
ATOM O OH . TYR A 1 118 . 118 TYR A OH 824 12.34 0.9 ? -1 -1 True False False False True 824 -0.069 -1.561 -17.237 1
ATOM N N . GLY A 1 119 . 119 GLY A N 825 9.63 0.98 ? -1 -1 True False False False True 825 2.756 5.035 -16.071 1
ATOM C CA . GLY A 1 119 . 119 GLY A CA 826 10.94 0.98 ? -1 -1 True False False False True 826 2.593 6.063 -17.109 1
ATOM C C . GLY A 1 119 . 119 GLY A C 827 10.96 1.0 ? -1 -1 True False False False True 827 2.386 7.396 -16.482 1
ATOM O O . GLY A 1 119 . 119 GLY A O 828 11.64 0.91 ? -1 -1 True False False False True 828 3.332 8.162 -16.277 1
ATOM N N . GLY A 1 120 . 120 GLY A N 829 11.29 1.0 ? -1 -1 True False False False True 829 1.148 7.688 -16.09 1
ATOM C CA . GLY A 1 120 . 120 GLY A CA 830 10.73 0.87 ? -1 -1 True False False False True 830 0.88 8.815 -15.234 1
ATOM C C . GLY A 1 120 . 120 GLY A C 831 10.2 1.0 ? -1 -1 True False False False True 831 1.176 8.499 -13.782 1
ATOM O O . GLY A 1 120 . 120 GLY A O 832 10.23 1.0 ? -1 -1 True False False False True 832 1.593 7.388 -13.454 1
ATOM N N . ALA A 1 121 . 121 ALA A N 833 10.38 0.97 ? -1 -1 True False False False True 833 0.993 9.46 -12.902 1
ATOM C CA . ALA A 1 121 . 121 ALA A CA 834 10.38 1.0 ? -1 -1 True False False False True 834 1.265 9.265 -11.494 1
ATOM C C . ALA A 1 121 . 121 ALA A C 835 10.11 1.0 ? -1 -1 True False False False True 835 0.218 9.979 -10.654 1
ATOM O O . ALA A 1 121 . 121 ALA A O 836 11.47 1.0 ? -1 -1 True False False False True 836 -0.22 11.079 -11.026 1
ATOM C CB . ALA A 1 121 . 121 ALA A CB 837 11.11 0.87 ? -1 -1 True False False False True 837 2.644 9.702 -11.086 1
ATOM N N . ASP A 1 122 . 122 ASP A N 838 9.3 0.95 ? -1 -1 True False False False True 838 -0.13 9.414 -9.518 1
ATOM C CA . ASP A 1 122 . 122 ASP A CA 839 9.83 0.97 ? -1 -1 True False False False True 839 -1.062 10.044 -8.594 1
ATOM C C . ASP A 1 122 . 122 ASP A C 840 9.45 1.0 ? -1 -1 True False False False True 840 -0.887 9.387 -7.24 1
ATOM O O . ASP A 1 122 . 122 ASP A O 841 9.17 0.97 ? -1 -1 True False False False True 841 -0.164 8.382 -7.097 1
ATOM C CB . ASP A 1 122 . 122 ASP A CB 842 11.51 1.0 ? -1 -1 True False False False True 842 -2.513 9.911 -9.09 1
ATOM C CG . ASP A 1 122 . 122 ASP A CG 843 12.78 0.92 ? -1 -1 True False False False True 843 -3.516 10.746 -8.41 1
ATOM O OD1 . ASP A 1 122 . 122 ASP A OD1 844 14.51 0.97 ? -1 -1 True False False False True 844 -3.168 11.787 -7.791 1
ATOM O OD2 . ASP A 1 122 . 122 ASP A OD2 845 14.25 0.88 ? -1 -1 True False False False True 845 -4.724 10.382 -8.49 1
ATOM N N . TYR A 1 123 . 123 TYR A N 846 9.74 1.0 ? -1 -1 True False False False True 846 -1.532 9.945 -6.211 1
ATOM C CA . TYR A 1 123 . 123 TYR A CA 847 9.42 1.0 ? -1 -1 True False False False True 847 -1.486 9.391 -4.874 1
ATOM C C . TYR A 1 123 . 123 TYR A C 848 10.04 1.0 ? -1 -1 True False False False True 848 -2.799 9.674 -4.169 1
ATOM O O . TYR A 1 123 . 123 TYR A O 849 11.33 0.99 ? -1 -1 True False False False True 849 -3.53 10.6 -4.542 1
ATOM C CB . TYR A 1 123 . 123 TYR A CB 850 10.96 1.0 ? -1 -1 True False False False True 850 -0.322 9.938 -4.094 1
ATOM C CG . TYR A 1 123 . 123 TYR A CG 851 13.12 1.0 ? -1 -1 True False False False True 851 -0.455 11.361 -3.607 1
ATOM C CD1 . TYR A 1 123 . 123 TYR A CD1 852 13.29 0.97 ? -1 -1 True False False False True 852 -0.114 12.417 -4.411 1
ATOM C CD2 . TYR A 1 123 . 123 TYR A CD2 853 17.99 0.95 ? -1 -1 True False False True True 853 -0.948 11.633 -2.335 1
ATOM C CE1 . TYR A 1 123 . 123 TYR A CE1 854 15.34 0.93 ? -1 -1 True False False False True 854 -0.227 13.729 -3.993 1
ATOM C CE2 . TYR A 1 123 . 123 TYR A CE2 855 19.95 0.87 ? -1 -1 True False False False True 855 -1.026 12.95 -1.912 1
ATOM C CZ . TYR A 1 123 . 123 TYR A CZ 856 19.14 0.9 ? -1 -1 True False False False True 856 -0.641 13.976 -2.742 1
ATOM O OH . TYR A 1 123 . 123 TYR A OH 857 21.01 0.63 ? -1 -1 True False False True True 857 -0.708 15.305 -2.307 1
ATOM N N . LYS A 1 124 . 124 LYS A N 858 9.64 1.0 ? -1 -1 True False False False True 858 -3.07 8.906 -3.126 1
ATOM C CA . LYS A 1 124 . 124 LYS A CA 859 10.15 1.0 ? -1 -1 True False False False True 859 -4.201 9.131 -2.237 1
ATOM C C . LYS A 1 124 . 124 LYS A C 860 9.22 1.0 ? -1 -1 True False False False True 860 -3.79 8.909 -0.807 1
ATOM O O . LYS A 1 124 . 124 LYS A O 861 9.82 0.97 ? -1 -1 True False False False True 861 -2.818 8.234 -0.521 1
ATOM C CB . LYS A 1 124 . 124 LYS A CB 862 10.2 0.88 ? -1 -1 True False False False True 862 -5.406 8.231 -2.622 1
ATOM C CG . LYS A 1 124 . 124 LYS A CG 863 12.6 0.9 ? -1 -1 True False False False True 863 -6.12 8.579 -3.919 1
ATOM C CD . LYS A 1 124 . 124 LYS A CD 864 14.52 0.69 ? -1 -1 True False False False True 864 -6.81 9.988 -3.857 1
ATOM C CE . LYS A 1 124 . 124 LYS A CE 865 15.54 0.44 ? -1 -1 True False False False True 865 -7.813 10.298 -5.0 1
ATOM N NZ . LYS A 1 124 . 124 LYS A NZ 866 17.19 0.41 +1 -1 -1 True False False False True 866 -7.183 10.494 -6.263 1
ATOM N N . ARG A 1 125 . 125 ARG A N 867 9.49 0.91 ? -1 -1 True False False False True 867 -4.574 9.476 0.089 1
ATOM C CA . ARG A 1 125 . 125 ARG A CA 868 10.15 1.0 ? -1 -1 True False False False True 868 -4.435 9.308 1.528 1
ATOM C C . ARG A 1 125 . 125 ARG A C 869 9.68 1.0 ? -1 -1 True False False False True 869 -5.564 8.462 2.092 1
ATOM O O . ARG A 1 125 . 125 ARG A O 870 11.52 0.93 ? -1 -1 True False False False True 870 -6.73 8.585 1.721 1
ATOM C CB . ARG A 1 125 . 125 ARG A CB 871 12.2 1.0 ? -1 -1 True False False False True 871 -4.243 10.54 2.401 1
ATOM C CG . ARG A 1 125 . 125 ARG A CG 872 16.33 1.0 ? -1 -1 True False False False True 872 -4.468 11.866 1.693 1
ATOM C CD . ARG A 1 125 . 125 ARG A CD 873 19.99 1.0 ? -1 -1 True False False False True 873 -4.3 13.017 2.617 1
ATOM N NE . ARG A 1 125 . 125 ARG A NE 874 20.42 0.3 ? -1 -1 True False False False True 874 -2.925 13.155 3.068 1
ATOM C CZ . ARG A 1 125 . 125 ARG A CZ 875 0.0 0.0 ? -1 -1 True False False False True 875 -2.527 13.949 4.081 1
ATOM N NH1 . ARG A 1 125 . 125 ARG A NH1 876 0.0 0.0 ? -1 -1 True False False False True 876 -3.411 14.667 4.738 1
ATOM N NH2 . ARG A 1 125 . 125 ARG A NH2 877 0.0 0.0 +1 -1 -1 True False False False True 877 -1.25 14.005 4.415 1
ATOM N N . ILE A 1 126 . 126 ILE A N 878 8.71 1.0 ? -1 -1 True False False False True 878 -5.192 7.606 3.037 1
ATOM C CA . ILE A 1 126 . 126 ILE A CA 879 8.57 1.0 ? -1 -1 True False False False True 879 -6.128 6.741 3.759 1
ATOM C C . ILE A 1 126 . 126 ILE A C 880 8.65 1.0 ? -1 -1 True False False False True 880 -5.819 6.857 5.23 1
ATOM O O . ILE A 1 126 . 126 ILE A O 881 9.78 1.0 ? -1 -1 True False False False True 881 -4.666 6.741 5.652 1
ATOM C CB . ILE A 1 126 . 126 ILE A CB 882 8.84 1.0 ? -1 -1 True False False False True 882 -5.971 5.251 3.312 1
ATOM C CG1 . ILE A 1 126 . 126 ILE A CG1 883 9.39 0.9 ? -1 -1 True False False False True 883 -6.351 5.109 1.848 1
ATOM C CG2 . ILE A 1 126 . 126 ILE A CG2 884 10.05 0.96 ? -1 -1 True False False False True 884 -6.787 4.327 4.204 1
ATOM C CD1 . ILE A 1 126 . 126 ILE A CD1 885 9.67 0.75 ? -1 -1 True False False False True 885 -5.978 3.735 1.276 1
ATOM N N . THR A 1 127 . 127 THR A N 886 8.2 1.0 ? -1 -1 True False False False True 886 -6.848 7.039 6.063 1
ATOM C CA . THR A 1 127 . 127 THR A CA 887 8.26 0.93 ? -1 -1 True False False False True 887 -6.692 7.05 7.504 1
ATOM C C . THR A 1 127 . 127 THR A C 888 7.89 1.0 ? -1 -1 True False False False True 888 -7.041 5.687 8.09 1
ATOM O O . THR A 1 127 . 127 THR A O 889 8.79 1.0 ? -1 -1 True False False False True 889 -8.039 5.091 7.672 1
ATOM C CB . THR A 1 127 . 127 THR A CB 890 9.76 0.99 ? -1 -1 True False False False True 890 -7.582 8.145 8.122 1
ATOM O OG1 . THR A 1 127 . 127 THR A OG1 891 12.06 0.93 ? -1 -1 True False False False True 891 -7.202 9.403 7.613 1
ATOM C CG2 . THR A 1 127 . 127 THR A CG2 892 10.65 0.79 ? -1 -1 True False False False True 892 -7.517 8.133 9.643 1
ATOM N N . VAL A 1 128 . 128 VAL A N 893 8.28 0.99 ? -1 -1 True False False False True 893 -6.24 5.244 9.04 1
ATOM C CA . VAL A 1 128 . 128 VAL A CA 894 8.29 1.0 ? -1 -1 True False False False True 894 -6.505 4.035 9.813 1
ATOM C C . VAL A 1 128 . 128 VAL A C 895 8.11 1.0 ? -1 -1 True False False False True 895 -6.709 4.411 11.248 1
ATOM O O . VAL A 1 128 . 128 VAL A O 896 9.22 0.99 ? -1 -1 True False False False True 896 -5.909 5.157 11.811 1
ATOM C CB . VAL A 1 128 . 128 VAL A CB 897 9.01 1.0 ? -1 -1 True False False False True 897 -5.365 3.007 9.676 1
ATOM C CG1 . VAL A 1 128 . 128 VAL A CG1 898 10.04 1.0 ? -1 -1 True False False False True 898 -5.541 1.808 10.604 1
ATOM C CG2 . VAL A 1 128 . 128 VAL A CG2 899 8.9 0.91 ? -1 -1 True False False False True 899 -5.215 2.568 8.224 1
ATOM N N . LYS A 1 129 . 129 LYS A N 900 8.45 1.0 ? -1 -1 True False False False True 900 -7.781 3.911 11.856 1
ATOM C CA . LYS A 1 129 . 129 LYS A CA 901 8.9 1.0 ? -1 -1 True False False False True 901 -8.057 4.012 13.285 1
ATOM C C . LYS A 1 129 . 129 LYS A C 902 8.92 1.0 ? -1 -1 True False False False True 902 -8.035 2.592 13.85 1
ATOM O O . LYS A 1 129 . 129 LYS A O 903 9.99 1.0 ? -1 -1 True False False False True 903 -8.583 1.681 13.214 1
ATOM C CB . LYS A 1 129 . 129 LYS A CB 904 11.54 1.0 ? -1 -1 True False False False True 904 -9.258 4.78 13.839 1
ATOM C CG . LYS A 1 129 . 129 LYS A CG 905 18.08 1.0 ? -1 -1 True False False False True 905 -8.898 6.061 14.579 1
ATOM C CD . LYS A 1 129 . 129 LYS A CD 906 0.0 0.0 ? -1 -1 True False False False True 906 -10.128 6.701 15.206 1
ATOM C CE . LYS A 1 129 . 129 LYS A CE 907 0.0 0.0 ? -1 -1 True False False False True 907 -11.051 7.283 14.146 1
ATOM N NZ . LYS A 1 129 . 129 LYS A NZ 908 0.0 0.0 +1 -1 -1 True False False False True 908 -12.188 8.031 14.748 1
ATOM N N . VAL A 1 130 . 130 VAL A N 909 9.03 1.0 ? -1 -1 True False False False True 909 -7.417 2.419 15.015 1
ATOM C CA . VAL A 1 130 . 130 VAL A CA 910 9.43 0.95 ? -1 -1 True False False False True 910 -7.259 1.114 15.627 1
ATOM C C . VAL A 1 130 . 130 VAL A C 911 10.7 1.0 ? -1 -1 True False False False True 911 -8.049 1.094 16.941 1
ATOM O O . VAL A 1 130 . 130 VAL A O 912 13.14 0.97 ? -1 -1 True False False False True 912 -7.792 1.898 17.839 1
ATOM C CB . VAL A 1 130 . 130 VAL A CB 913 9.75 0.92 ? -1 -1 True False False False True 913 -5.778 0.769 15.878 1
ATOM C CG1 . VAL A 1 130 . 130 VAL A CG1 914 10.44 0.84 ? -1 -1 True False False False True 914 -5.665 -0.585 16.538 1
ATOM C CG2 . VAL A 1 130 . 130 VAL A CG2 915 8.99 0.8 ? -1 -1 True False False False True 915 -5.0 0.829 14.597 1
ATOM N N . ASN A 1 131 . 131 ASN A N 916 9.51 0.61 ? -1 -1 True False False False True 916 -9.0 0.157 17.031 1
ATOM C CA . ASN A 1 131 . 131 ASN A CA 917 10.19 0.61 ? -1 -1 True False False False True 917 -9.735 -0.104 18.271 1
ATOM C C . ASN A 1 131 . 131 ASN A C 918 9.8 0.61 ? -1 -1 True False False False True 918 -8.935 -1.021 19.176 1
ATOM O O . ASN A 1 131 . 131 ASN A O 919 11.46 0.61 ? -1 -1 True False False False True 919 -8.497 -2.103 18.765 1
ATOM C CB . ASN A 1 131 . 131 ASN A CB 920 10.7 0.61 ? -1 -1 True False False False True 920 -11.054 -0.823 17.946 1
ATOM C CG . ASN A 1 131 . 131 ASN A CG 921 11.61 0.61 ? -1 -1 True False False False True 921 -12.11 0.017 17.27 1
ATOM O OD1 . ASN A 1 131 . 131 ASN A OD1 922 14.03 0.61 ? -1 -1 True False False False True 922 -12.185 1.216 17.48 1
ATOM N ND2 . ASN A 1 131 . 131 ASN A ND2 923 12.52 0.61 ? -1 -1 True False False False True 923 -12.983 -0.611 16.484 1
HETATM X UNK . 50-120 B 2 1 . 1 50-120 B UNK 924 nan 0.0 ? 120 50 False True True False False 924 nan nan nan 1
#
_cell.length_a 31.814
_cell.length_b 53.682
_cell.length_c 80.926
_cell.angle_alpha 90.0
_cell.angle_beta 90.0
_cell.angle_gamma 90.0
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
ALA N N 0 N N -0.9660000205039978 0.49300000071525574 1.5
ALA CA C 0 N N 0.25699999928474426 0.4180000126361847 0.6919999718666077
ALA C C 0 N N -0.09399999678134918 0.017000000923871994 -0.7160000205039978
ALA O O 0 N N -1.055999994277954 -0.6819999814033508 -0.9229999780654907
ALA CB C 0 N N 1.2039999961853027 -0.6200000047683716 1.2960000038146973
ALA OXT O 0 N Y 0.6610000133514404 0.4390000104904175 -1.7419999837875366
ALA H H 0 N N -1.3830000162124634 -0.42500001192092896 1.4819999933242798
ALA H2 H 0 N Y -0.6759999990463257 0.6610000133514404 2.4519999027252197
ALA HA H 0 N N 0.7459999918937683 1.3919999599456787 0.6819999814033508
ALA HB1 H 0 N N 1.4589999914169312 -0.33000001311302185 2.315999984741211
ALA HB2 H 0 N N 0.7149999737739563 -1.593999981880188 1.3070000410079956
ALA HB3 H 0 N N 2.11299991607666 -0.6759999990463257 0.6970000267028809
ALA HXT H 0 N Y 0.4350000023841858 0.18199999630451202 -2.6470000743865967
ARG N N 0 N N -0.4690000116825104 1.1100000143051147 -0.9929999709129333
ARG CA C 0 N N 0.004000000189989805 2.2939999103546143 -1.7079999446868896
ARG C C 0 N N -0.9070000052452087 2.5209999084472656 -2.9010000228881836
ARG O O 0 N N -1.8270000219345093 1.7890000343322754 -3.242000102996826
ARG CB C 0 N N 1.475000023841858 2.1500000953674316 -2.127000093460083
ARG CG C 0 N N 1.7450000047683716 1.0169999599456787 -3.130000114440918
ARG CD C 0 N N 3.2100000381469727 0.9539999961853027 -3.556999921798706
ARG NE N 0 N N 4.071000099182129 0.7260000109672546 -2.4210000038146973
ARG CZ C 0 N N 5.468999862670898 0.6240000128746033 -2.5280001163482666
ARG NH1 N 0 N N 6.258999824523926 0.40400001406669617 -1.4049999713897705
ARG NH2 N 1 N N 6.078000068664551 0.7440000176429749 -3.7730000019073486
ARG OXT O 0 N Y -0.5879999995231628 3.6589999198913574 -3.5739998817443848
ARG H H 0 N N -0.057999998331069946 0.902999997138977 -0.10899999737739563
ARG H2 H 0 N Y -1.0240000486373901 0.4519999921321869 -1.49399995803833
ARG HA H 0 N N -0.10300000011920929 3.1519999504089355 -1.034000039100647
ARG HB2 H 0 N N 2.0859999656677246 1.9880000352859497 -1.2300000190734863
ARG HB3 H 0 N N 1.8140000104904175 3.0989999771118164 -2.562999963760376
ARG HG2 H 0 N N 1.1360000371932983 1.1699999570846558 -4.0289998054504395
ARG HG3 H 0 N N 1.4470000267028809 0.05400000140070915 -2.697999954223633
ARG HD2 H 0 N N 3.3480000495910645 0.13300000131130219 -4.269000053405762
ARG HD3 H 0 N N 3.505000114440918 1.8799999952316284 -4.061999797821045
ARG HE H 0 N N 3.6740000247955322 0.6269999742507935 -1.4789999723434448
ARG HH11 H 0 N N 7.270999908447266 0.3310000002384186 -1.4839999675750732
ARG HH12 H 0 N N 5.857999801635742 0.3070000112056732 -0.47600001096725464
ARG HH21 H 0 N N 5.53000020980835 0.906000018119812 -4.613999843597412
ARG HH22 H 0 N N 7.0879998207092285 0.675000011920929 -3.874000072479248
ARG HXT H 0 N Y -1.1490000486373901 3.8550000190734863 -4.355000019073486
ASN N N 0 N N -0.2930000126361847 1.6859999895095825 0.09399999678134918
ASN CA C 0 N N -0.4480000138282776 0.2919999957084656 -0.3400000035762787
ASN C C 0 N N -1.8459999561309814 -0.17900000512599945 -0.03099999949336052
ASN O O 0 N N -2.509999990463257 0.4020000100135803 0.7940000295639038
ASN CB C 0 N N 0.5619999766349792 -0.5879999995231628 0.4009999930858612
ASN CG C 0 N N 1.9600000381469727 -0.19699999690055847 -0.0020000000949949026
ASN OD1 O 0 N N 2.131999969482422 0.6970000267028809 -0.8040000200271606
ASN ND2 N 0 N N 3.0190000534057617 -0.8410000205039978 0.5270000100135803
ASN OXT O 0 N Y -2.3529999256134033 -1.2430000305175781 -0.6729999780654907
ASN H H 0 N N -0.9039999842643738 2.296999931335449 -0.4269999861717224
ASN H2 H 0 N Y -0.453000009059906 1.7760000228881836 1.0859999656677246
ASN HA H 0 N N -0.27000001072883606 0.22300000488758087 -1.4129999876022339
ASN HB2 H 0 N N 0.44200000166893005 -0.45100000500679016 1.4759999513626099
ASN HB3 H 0 N N 0.3889999985694885 -1.6330000162124634 0.1459999978542328
ASN HD21 H 0 N N 2.88100004196167 -1.555999994277954 1.1679999828338623
ASN HD22 H 0 N N 3.9189999103546143 -0.5899999737739563 0.2680000066757202
ASN HXT H 0 N Y -3.253999948501587 -1.5080000162124634 -0.4410000145435333
ASP N N 0 N N -0.31700000166893005 1.687999963760376 0.06599999964237213
ASP CA C 0 N N -0.4699999988079071 0.28600001335144043 -0.3440000116825104
ASP C C 0 N N -1.8680000305175781 -0.18000000715255737 -0.028999999165534973
ASP O O 0 N N -2.5339999198913574 0.41499999165534973 0.7860000133514404
ASP CB C 0 N N 0.5389999747276306 -0.5799999833106995 0.4129999876022339
ASP CG C 0 N N 1.937999963760376 -0.19499999284744263 0.004000000189989805
ASP OD1 O 0 N N 2.1089999675750732 0.6809999942779541 -0.8100000023841858
ASP OD2 O 0 N N 2.992000102996826 -0.8259999752044678 0.5429999828338623
ASP OXT O 0 N Y -2.374000072479248 -1.25600004196167 -0.6520000100135803
ASP H H 0 N N -0.9279999732971191 2.2890000343322754 -0.46700000762939453
ASP H2 H 0 N Y -0.4779999852180481 1.7949999570846558 1.055999994277954
ASP HA H 0 N N -0.2919999957084656 0.19900000095367432 -1.4160000085830688
ASP HB2 H 0 N N 0.4189999997615814 -0.42500001192092896 1.4850000143051147
ASP HB3 H 0 N N 0.367000013589859 -1.6299999952316284 0.17599999904632568
ASP HD2 H 0 N N 3.86899995803833 -0.5450000166893005 0.25
ASP HXT H 0 N Y -3.2750000953674316 -1.5169999599456787 -0.41600000858306885
CYS N N 0 N N 1.5850000381469727 0.4830000102519989 -0.08100000023841858
CYS CA C 0 N N 0.14100000262260437 0.44999998807907104 0.1860000044107437
CYS C C 0 N N -0.0949999988079071 0.006000000052154064 1.6059999465942383
CYS O O 0 N N 0.6850000023841858 -0.7419999837875366 2.1429998874664307
CYS CB C 0 N N -0.5329999923706055 -0.5299999713897705 -0.7739999890327454
CYS SG S 0 N N -0.24699999392032623 0.004000000189989805 -2.4839999675750732
CYS OXT O 0 N Y -1.1740000247955322 0.4429999887943268 2.2750000953674316
CYS H H 0 N N 1.9279999732971191 -0.45399999618530273 0.06300000101327896
CYS H2 H 0 N Y 1.6929999589920044 0.6819999814033508 -1.065000057220459
CYS HA H 0 N N -0.2770000100135803 1.4459999799728394 0.041999999433755875
CYS HB2 H 0 N N -0.11400000005960464 -1.5260000228881836 -0.6299999952316284
CYS HB3 H 0 N N -1.6039999723434448 -0.5540000200271606 -0.574999988079071
CYS HG H 0 N N -0.9039999842643738 -0.9649999737739563 -3.1449999809265137
CYS HXT H 0 N Y -1.3259999752044678 0.15800000727176666 3.186000108718872
GLN N N 0 N N 1.8580000400543213 -0.14800000190734863 1.125
GLN CA C 0 N N 0.5170000195503235 0.45100000500679016 1.1119999885559082
GLN C C 0 N N -0.23600000143051147 0.02199999988079071 2.3440001010894775
GLN O O 0 N N -0.004999999888241291 -1.0490000247955322 2.8510000705718994
GLN CB C 0 N N -0.23600000143051147 -0.013000000268220901 -0.13500000536441803
GLN CG C 0 N N 0.5289999842643738 0.42100000381469727 -1.3849999904632568
GLN CD C 0 N N -0.21299999952316284 -0.035999998450279236 -2.614000082015991
GLN OE1 O 0 N N -1.2519999742507935 -0.6499999761581421 -2.5
GLN NE2 N 0 N N 0.2770000100135803 0.23600000143051147 -3.8389999866485596
GLN OXT O 0 N Y -1.1649999618530273 0.8309999704360962 2.878000020980835
GLN H H 0 N N 1.7289999723434448 -1.1480000019073486 1.1369999647140503
GLN H2 H 0 N Y 2.2860000133514404 0.07800000160932541 0.23999999463558197
GLN HA H 0 N N 0.6050000190734863 1.5369999408721924 1.0989999771118164
GLN HB2 H 0 N N -0.3240000009536743 -1.100000023841858 -0.12200000137090683
GLN HB3 H 0 N N -1.2309999465942383 0.4309999942779541 -0.14399999380111694
GLN HG2 H 0 N N 0.6169999837875366 1.5080000162124634 -1.3980000019073486
GLN HG3 H 0 N N 1.5240000486373901 -0.023000000044703484 -1.375
GLN HE21 H 0 N N -0.20000000298023224 -0.057999998331069946 -4.630000114440918
GLN HE22 H 0 N N 1.1089999675750732 0.7269999980926514 -3.930000066757202
GLN HXT H 0 N Y -1.6490000486373901 0.5559999942779541 3.6689999103546143
GLU N N 0 N N 1.1990000009536743 1.8669999837875366 -0.11699999868869781
GLU CA C 0 N N 1.1380000114440918 0.5149999856948853 0.453000009059906
GLU C C 0 N N 2.364000082015991 -0.25999999046325684 0.04100000113248825
GLU O O 0 N N 3.009999990463257 0.09600000083446503 -0.9160000085830688
GLU CB C 0 N N -0.11299999803304672 -0.20000000298023224 -0.06199999898672104
GLU CG C 0 N N -1.3600000143051147 0.5170000195503235 0.460999995470047
GLU CD C 0 N N -2.5929999351501465 -0.18700000643730164 -0.04600000008940697
GLU OE1 O 0 N N -2.484999895095825 -1.1610000133514404 -0.753000020980835
GLU OE2 O 0 N N -3.811000108718872 0.26899999380111694 0.28700000047683716
GLU OXT O 0 N Y 2.736999988555908 -1.3450000286102295 0.7369999885559082
GLU H H 0 N N 1.2369999885559082 1.8339999914169312 -1.125
GLU H2 H 0 N Y 0.42100000381469727 2.427000045776367 0.19699999690055847
GLU HA H 0 N N 1.0980000495910645 0.5799999833106995 1.5399999618530273
GLU HB2 H 0 N N -0.11699999868869781 -0.18700000643730164 -1.1519999504089355
GLU HB3 H 0 N N -0.11299999803304672 -1.2309999465942383 0.289000004529953
GLU HG2 H 0 N N -1.3569999933242798 0.5040000081062317 1.5509999990463257
GLU HG3 H 0 N N -1.3600000143051147 1.5479999780654907 0.10899999737739563
GLU HE2 H 0 N N -4.571000099182129 -0.2150000035762787 -0.06199999898672104
GLU HXT H 0 N Y 3.5299999713897705 -1.809000015258789 0.4350000023841858
GLY N N 0 N N 1.930999994277954 0.09000000357627869 -0.03400000184774399
GLY CA C 0 N N 0.7609999775886536 -0.7990000247955322 -0.00800000037997961
GLY C C 0 N N -0.49799999594688416 0.028999999165534973 -0.004999999888241291
GLY O O 0 N N -0.42899999022483826 1.2350000143051147 -0.023000000044703484
GLY OXT O 0 N Y -1.6970000267028809 -0.5740000009536743 0.017999999225139618
GLY H H 0 N N 1.909999966621399 0.7379999756813049 0.7379999756813049
GLY H2 H 0 N Y 2.7880001068115234 -0.44200000166893005 -0.03700000047683716
GLY HA2 H 0 N N 0.7720000147819519 -1.440000057220459 -0.8889999985694885
GLY HA3 H 0 N N 0.7929999828338623 -1.4149999618530273 0.890999972820282
GLY HXT H 0 N Y -2.4769999980926514 -0.0020000000949949026 0.01899999938905239
HIS N N 0 N N -0.03999999910593033 -1.2100000381469727 0.05299999937415123
HIS CA C 0 N N 1.1720000505447388 -1.7089999914169312 0.6520000100135803
HIS C C 0 N N 1.0829999446868896 -3.2070000171661377 0.9049999713897705
HIS O O 0 N N 0.03999999910593033 -3.7699999809265137 1.222000002861023
HIS CB C 0 N N 1.4839999675750732 -0.9750000238418579 1.9620000123977661
HIS CG C 0 Y N 2.940000057220459 -1.059999942779541 2.3529999256134033
HIS ND1 N 1 Y N 3.380000114440918 -2.075000047683716 3.128999948501587
HIS CD2 C 0 Y N 3.9600000381469727 -0.25099998712539673 2.0460000038146973
HIS CE1 C 0 Y N 4.692999839782715 -1.9079999923706055 3.316999912261963
HIS NE2 N 0 Y N 5.058000087738037 -0.8009999990463257 2.6619999408721924
HIS OXT O 0 N Y 2.246999979019165 -3.881999969482422 0.7440000176429749
HIS H H 0 N N -0.10199999809265137 -1.1549999713897705 -0.949999988079071
HIS H2 H 0 N Y -0.7149999737739563 -0.7409999966621399 0.6340000033378601
HIS HA H 0 N N 1.965000033378601 -1.5579999685287476 -0.08900000154972076
HIS HB2 H 0 N N 1.215000033378601 0.08699999749660492 1.878999948501587
HIS HB3 H 0 N N 0.859000027179718 -1.3680000305175781 2.7750000953674316
HIS HD1 H 0 N N 2.828000068664551 -2.8380000591278076 3.510999917984009
HIS HD2 H 0 N N 4.107999801635742 0.6470000147819519 1.4789999723434448
HIS HE1 H 0 N N 5.340000152587891 -2.549999952316284 3.8919999599456787
HIS HE2 H 0 N N 6.001999855041504 -0.42800000309944153 2.627000093460083
HIS HXT H 0 N Y 2.187999963760376 -4.8480000495910645 0.9010000228881836
ILE N N 0 N N -1.944000005722046 0.33500000834465027 -0.34299999475479126
ILE CA C 0 N N -0.4869999885559082 0.5189999938011169 -0.36899998784065247
ILE C C 0 N N 0.06599999964237213 -0.03200000151991844 -1.656999945640564
ILE O O 0 N N -0.48399999737739563 -0.9580000042915344 -2.203000068664551
ILE CB C 0 N N 0.14000000059604645 -0.21899999678134918 0.8140000104904175
ILE CG1 C 0 N N -0.42100000381469727 0.3409999907016754 2.121999979019165
ILE CG2 C 0 N N 1.6579999923706055 -0.027000000700354576 0.7879999876022339
ILE CD1 C 0 N N 0.20600000023841858 -0.3970000147819519 3.305000066757202
ILE OXT O 0 N Y 1.1710000038146973 0.5040000081062317 -2.197000026702881
ILE H H 0 N N -2.111999988555908 -0.656000018119812 -0.4099999964237213
ILE H2 H 0 N Y -2.25600004196167 0.621999979019165 0.5720000267028809
ILE HA H 0 N N -0.2529999911785126 1.5820000171661377 -0.29899999499320984
ILE HB H 0 N N -0.09200000017881393 -1.281000018119812 0.7440000176429749
ILE HG12 H 0 N N -1.5019999742507935 0.20399999618530273 2.1410000324249268
ILE HG13 H 0 N N -0.18799999356269836 1.402999997138977 2.191999912261963
ILE HG21 H 0 N N 1.8910000324249268 1.034000039100647 0.8569999933242798
ILE HG22 H 0 N N 2.1050000190734863 -0.5540000200271606 1.63100004196167
ILE HG23 H 0 N N 2.059000015258789 -0.4269999861717224 -0.14300000667572021
ILE HD11 H 0 N N -0.19300000369548798 0.0010000000474974513 4.236999988555908
ILE HD12 H 0 N N -0.026000000536441803 -1.4600000381469727 3.234999895095825
ILE HD13 H 0 N N 1.2869999408721924 -0.26100000739097595 3.2860000133514404
ILE HXT H 0 N Y 1.5269999504089355 0.15000000596046448 -3.0239999294281006
LEU N N 0 N N -1.6610000133514404 0.6269999742507935 -0.4059999883174896
LEU CA C 0 N N -0.20499999821186066 0.4410000145435333 -0.46700000762939453
LEU C C 0 N N 0.18000000715255737 -0.054999999701976776 -1.8359999656677246
LEU O O 0 N N -0.5910000205039978 -0.7310000061988831 -2.4739999771118164
LEU CB C 0 N N 0.22100000083446503 -0.5830000042915344 0.5849999785423279
LEU CG C 0 N N -0.17000000178813934 -0.07900000363588333 1.9759999513626099
LEU CD1 C 0 N N 0.25600001215934753 -1.1039999723434448 3.0290000438690186
LEU CD2 C 0 N N 0.5260000228881836 1.253999948501587 2.25
LEU OXT O 0 N Y 1.3819999694824219 0.2540000081062317 -2.3480000495910645
LEU H H 0 N N -2.0769999027252197 -0.2720000147819519 -0.5920000076293945
LEU H2 H 0 N Y -1.8839999437332153 0.8579999804496765 0.550000011920929
LEU HA H 0 N N 0.29100000858306885 1.3910000324249268 -0.2709999978542328
LEU HB2 H 0 N N 1.3009999990463257 -0.722000002861023 0.5400000214576721
LEU HB3 H 0 N N -0.2750000059604645 -1.534000039100647 0.38999998569488525
LEU HG H 0 N N -1.25 0.057999998331069946 2.0209999084472656
LEU HD11 H 0 N N -0.02199999988079071 -0.7450000047683716 4.019000053405762
LEU HD12 H 0 N N -0.23999999463558197 -2.055000066757202 2.8329999446868896
LEU HD13 H 0 N N 1.3359999656677246 -1.2430000305175781 2.9839999675750732
LEU HD21 H 0 N N 1.6059999465942383 1.1150000095367432 2.2049999237060547
LEU HD22 H 0 N N 0.22200000286102295 1.9839999675750732 1.5
LEU HD23 H 0 N N 0.24699999392032623 1.6130000352859497 3.240999937057495
LEU HXT H 0 N Y 1.6299999952316284 -0.06400000303983688 -3.2260000705718994
LYS N N 0 N N 1.4220000505447388 1.7960000038146973 0.1979999989271164
LYS CA C 0 N N 1.3940000534057617 0.35499998927116394 0.48399999737739563
LYS C C 0 N N 2.6570000648498535 -0.2840000092983246 -0.03200000151991844
LYS O O 0 N N 3.315999984741211 0.2750000059604645 -0.8759999871253967
LYS CB C 0 N N 0.18400000035762787 -0.27799999713897705 -0.20600000023841858
LYS CG C 0 N N -1.1019999980926514 0.28200000524520874 0.40700000524520874
LYS CD C 0 N N -2.312999963760376 -0.35100001096725464 -0.28299999237060547
LYS CE C 0 N N -3.5980000495910645 0.20800000429153442 0.32899999618530273
LYS NZ N 1 N N -4.761000156402588 -0.4000000059604645 -0.3319999873638153
LYS OXT O 0 N Y 3.049999952316284 -1.4759999513626099 0.44600000977516174
LYS H H 0 N N 1.4889999628067017 1.8910000324249268 -0.8040000200271606
LYS H2 H 0 N Y 0.5210000276565552 2.1619999408721924 0.46399998664855957
LYS HA H 0 N N 1.3220000267028809 0.20000000298023224 1.559999942779541
LYS HB2 H 0 N N 0.20999999344348907 -0.04699999839067459 -1.2699999809265137
LYS HB3 H 0 N N 0.210999995470047 -1.3589999675750732 -0.06800000369548798
LYS HG2 H 0 N N -1.128000020980835 0.05000000074505806 1.4709999561309814
LYS HG3 H 0 N N -1.1299999952316284 1.3630000352859497 0.26899999380111694
LYS HD2 H 0 N N -2.2869999408721924 -0.11999999731779099 -1.3480000495910645
LYS HD3 H 0 N N -2.2850000858306885 -1.4320000410079956 -0.14499999582767487
LYS HE2 H 0 N N -3.625 -0.023000000044703484 1.3940000534057617
LYS HE3 H 0 N N -3.625999927520752 1.2890000343322754 0.19200000166893005
LYS HZ1 H 0 N N -4.736000061035156 -0.1850000023841858 -1.3179999589920044
LYS HZ2 H 0 N N -4.735000133514404 -1.399999976158142 -0.20499999821186066
LYS HZ3 H 0 N N -5.609000205993652 -0.03099999949336052 0.07100000232458115
LYS HXT H 0 N Y 3.8610000610351562 -1.8860000371932983 0.11500000208616257
MET N N 0 N N -1.815999984741211 0.1420000046491623 -1.1660000085830688
MET CA C 0 N N -0.3919999897480011 0.49900001287460327 -1.2139999866485596
MET C C 0 N N 0.20600000023841858 0.0020000000949949026 -2.503999948501587
MET O O 0 N N -0.23600000143051147 -0.9890000224113464 -3.0329999923706055
MET CB C 0 N N 0.33399999141693115 -0.14499999582767487 -0.03200000151991844
MET CG C 0 N N -0.27300000190734863 0.35899999737739563 1.2769999504089355
MET SD S 0 N N 0.5889999866485596 -0.4050000011920929 2.677999973297119
MET CE C 0 N N -0.3140000104904175 0.3529999852180481 4.056000232696533
MET OXT O 0 N Y 1.2319999933242798 0.6610000133514404 -3.065999984741211
MET H H 0 N N -1.8650000095367432 -0.8640000224113464 -1.2200000286102295
MET H2 H 0 N Y -2.1489999294281006 0.39899998903274536 -0.24799999594688416
MET HA H 0 N N -0.28700000047683716 1.5820000171661377 -1.1579999923706055
MET HB2 H 0 N N 1.3910000324249268 0.11900000274181366 -0.06800000369548798
MET HB3 H 0 N N 0.2290000021457672 -1.2289999723434448 -0.08799999952316284
MET HG2 H 0 N N -1.3300000429153442 0.09399999678134918 1.312999963760376
MET HG3 H 0 N N -0.1679999977350235 1.4420000314712524 1.3329999446868896
MET HE1 H 0 N N 0.09000000357627869 -0.009999999776482582 5.0
MET HE2 H 0 N N -0.2070000022649765 1.4359999895095825 4.007999897003174
MET HE3 H 0 N N -1.36899995803833 0.08799999952316284 3.98799991607666
MET HXT H 0 N Y 1.6160000562667847 0.34200000762939453 -3.8940000534057617
PHE N N 0 N N 1.3170000314712524 0.9620000123977661 1.0140000581741333
PHE CA C 0 N N -0.019999999552965164 0.4259999990463257 1.2999999523162842
PHE C C 0 N N -0.10899999737739563 0.04699999839067459 2.75600004196167
PHE O O 0 N N 0.8790000081062317 -0.31700000166893005 3.3459999561309814
PHE CB C 0 N N -0.27000001072883606 -0.8090000152587891 0.4339999854564667
PHE CG C 0 Y N -0.1809999942779541 -0.4300000071525574 -1.0199999809265137
PHE CD1 C 0 Y N 1.031000018119812 -0.49799999594688416 -1.6799999475479126
PHE CD2 C 0 Y N -1.3140000104904175 -0.017999999225139618 -1.6979999542236328
PHE CE1 C 0 Y N 1.1119999885559082 -0.15000000596046448 -3.015000104904175
PHE CE2 C 0 Y N -1.2309999465942383 0.3330000042915344 -3.0320000648498535
PHE CZ C 0 Y N -0.017999999225139618 0.26499998569488525 -3.690999984741211
PHE OXT O 0 N Y -1.2860000133514404 0.11299999803304672 3.3959999084472656
PHE H H 0 N N 1.975000023841858 0.23000000417232513 1.2350000143051147
PHE H2 H 0 N Y 1.3650000095367432 1.1039999723434448 0.017000000923871994
PHE HA H 0 N N -0.7699999809265137 1.184000015258789 1.0759999752044678
PHE HB2 H 0 N N 0.47999998927116394 -1.5679999589920044 0.6589999794960022
PHE HB3 H 0 N N -1.2619999647140503 -1.2070000171661377 0.6460000276565552
PHE HD1 H 0 N N 1.9149999618530273 -0.8240000009536743 -1.1519999504089355
PHE HD2 H 0 N N -2.26200008392334 0.03400000184774399 -1.1829999685287476
PHE HE1 H 0 N N 2.059999942779541 -0.2029999941587448 -3.5299999713897705
PHE HE2 H 0 N N -2.115999937057495 0.6589999794960022 -3.559999942779541
PHE HZ H 0 N N 0.04500000178813934 0.5379999876022339 -4.734000205993652
PHE HXT H 0 N Y -1.343000054359436 -0.12999999523162842 4.329999923706055
PRO N N 0 N N -0.8159999847412109 1.1080000400543213 0.2540000081062317
PRO CA C 0 N N 0.0010000000474974513 -0.10700000077486038 0.5090000033378601
PRO C C 0 N N 1.4079999923706055 0.09099999815225601 0.004999999888241291
PRO O O 0 N N 1.649999976158142 0.9800000190734863 -0.7770000100135803
PRO CB C 0 N N -0.703000009059906 -1.2269999980926514 -0.28600001335144043
PRO CG C 0 N N -2.1630001068115234 -0.753000020980835 -0.4390000104904175
PRO CD C 0 N N -2.2179999351501465 0.6140000224113464 0.2759999930858612
PRO OXT O 0 N Y 2.3910000324249268 -0.7210000157356262 0.42399999499320984
PRO H H 0 N Y -0.7070000171661377 1.7079999446868896 1.0570000410079956
PRO HA H 0 N N 0.008999999612569809 -0.34299999475479126 1.5729999542236328
PRO HB2 H 0 N N -0.23999999463558197 -1.3450000286102295 -1.2660000324249268
PRO HB3 H 0 N N -0.6660000085830688 -2.1649999618530273 0.2669999897480011
PRO HG2 H 0 N N -2.4159998893737793 -0.6380000114440918 -1.4930000305175781
PRO HG3 H 0 N N -2.8429999351501465 -1.4579999446868896 0.03999999910593033
PRO HD2 H 0 N N -2.871999979019165 1.2999999523162842 -0.2630000114440918
PRO HD3 H 0 N N -2.559000015258789 0.492000013589859 1.3040000200271606
PRO HXT H 0 N Y 3.2929999828338623 -0.593999981880188 0.10100000351667404
SER N N 0 N N 1.524999976158142 0.49300000071525574 -0.6079999804496765
SER CA C 0 N N 0.10000000149011612 0.4690000116825104 -0.25200000405311584
SER C C 0 N N -0.05299999937415123 0.004000000189989805 1.1729999780654907
SER O O 0 N N 0.7509999871253967 -0.7599999904632568 1.6490000486373901
SER CB C 0 N N -0.6420000195503235 -0.48899999260902405 -1.184000015258789
SER OG O 0 N N -0.4959999918937683 -0.04899999871850014 -2.5350000858306885
SER OXT O 0 N Y -1.0839999914169312 0.4399999976158142 1.9129999876022339
SER H H 0 N N 1.8669999837875366 -0.4490000009536743 -0.49900001287460327
SER H2 H 0 N Y 1.5740000009536743 0.7070000171661377 -1.593000054359436
SER HA H 0 N N -0.3160000145435333 1.4709999561309814 -0.3540000021457672
SER HB2 H 0 N N -0.22499999403953552 -1.4910000562667847 -1.0809999704360962
SER HB3 H 0 N N -1.6990000009536743 -0.5070000290870667 -0.9200000166893005
SER HG H 0 N N -0.9779999852180481 -0.6790000200271606 -3.0880000591278076
SER HXT H 0 N Y -1.1829999685287476 0.1420000046491623 2.828000068664551
THR N N 0 N N 1.5429999828338623 -0.7020000219345093 0.4300000071525574
THR CA C 0 N N 0.12200000137090683 -0.7059999704360962 0.0560000017285347
THR C C 0 N N -0.03799999877810478 -0.09000000357627869 -1.309000015258789
THR O O 0 N N 0.7319999933242798 0.7609999775886536 -1.6829999685287476
THR CB C 0 N N -0.675000011920929 0.10400000214576721 1.0789999961853027
THR OG1 O 0 N N -0.19300000369548798 1.4479999542236328 1.1030000448226929
THR CG2 C 0 N N -0.5109999775886536 -0.5210000276565552 2.4660000801086426
THR OXT O 0 N Y -1.0390000343322754 -0.4880000054836273 -2.109999895095825
THR H H 0 N N 1.8389999866485596 0.26100000739097595 0.4339999854564667
THR H2 H 0 N Y 1.593000054359436 -1.024999976158142 1.3849999904632568
THR HA H 0 N N -0.24500000476837158 -1.7319999933242798 0.03799999877810478
THR HB H 0 N N -1.7289999723434448 0.10100000351667404 0.8019999861717224
THR HG1 H 0 N N 0.7400000095367432 1.406000018119812 1.3519999980926514
THR HG21 H 0 N N -1.0800000429153442 0.0560000017285347 3.194000005722046
THR HG22 H 0 N N -0.8790000081062317 -1.5470000505447388 2.447999954223633
THR HG23 H 0 N N 0.5419999957084656 -0.5180000066757202 2.743000030517578
THR HXT H 0 N Y -1.1430000066757202 -0.09200000017881393 -2.9860000610351562
TRP N N 0 N N 1.277999997138977 1.121000051498413 2.059000015258789
TRP CA C 0 N N -0.00800000037997961 0.4169999957084656 1.9700000286102295
TRP C C 0 N N -0.49000000953674316 0.07599999755620956 3.3570001125335693
TRP O O 0 N N 0.30799999833106995 -0.12999999523162842 4.239999771118164
TRP CB C 0 N N 0.1679999977350235 -0.8679999709129333 1.1610000133514404
TRP CG C 0 Y N 0.6499999761581421 -0.5260000228881836 -0.22499999403953552
TRP CD1 C 0 Y N 1.9279999732971191 -0.4180000126361847 -0.621999979019165
TRP CD2 C 0 Y N -0.1860000044107437 -0.25600001215934753 -1.3960000276565552
TRP NE1 N 0 Y N 1.9780000448226929 -0.0949999988079071 -1.9509999752044678
TRP CE2 C 0 Y N 0.7009999752044678 0.014000000432133675 -2.4539999961853027
TRP CE3 C 0 Y N -1.5640000104904175 -0.20999999344348907 -1.6150000095367432
TRP CZ2 C 0 Y N 0.1899999976158142 0.3140000104904175 -3.7119998931884766
TRP CZ3 C 0 Y N -2.0439999103546143 0.0860000029206276 -2.8589999675750732
TRP CH2 C 0 Y N -1.1729999780654907 0.3479999899864197 -3.9070000648498535
TRP OXT O 0 N Y -1.805999994277954 0.0010000000474974513 3.609999895095825
TRP H H 0 N N 1.9210000038146973 0.49300000071525574 2.5179998874664307
TRP H2 H 0 N Y 1.6109999418258667 1.2369999885559082 1.1130000352859497
TRP HA H 0 N N -0.7400000095367432 1.0579999685287476 1.4789999723434448
TRP HB2 H 0 N N 0.8999999761581421 -1.5089999437332153 1.6519999504089355
TRP HB3 H 0 N N -0.7860000133514404 -1.3899999856948853 1.0950000286102295
TRP HD1 H 0 N N 2.7890000343322754 -0.5640000104904175 0.012000000104308128
TRP HE1 H 0 N N 2.7909998893737793 0.035999998450279236 -2.4619998931884766
TRP HE3 H 0 N N -2.247999906539917 -0.4129999876022339 -0.8040000200271606
TRP HZ2 H 0 N N 0.8600000143051147 0.5210000276565552 -4.533999919891357
TRP HZ3 H 0 N N -3.109999895095825 0.11599999666213989 -3.0290000438690186
TRP HH2 H 0 N N -1.5670000314712524 0.5820000171661377 -4.885000228881836
TRP HXT H 0 N Y -2.115000009536743 -0.21699999272823334 4.5
TYR N N 0 N N 1.3200000524520874 0.9520000219345093 1.4279999732971191
TYR CA C 0 N N -0.017999999225139618 0.42899999022483826 1.7339999675750732
TYR C C 0 N N -0.10300000011920929 0.09399999678134918 3.2009999752044678
TYR O O 0 N N 0.8859999775886536 -0.2540000081062317 3.7990000247955322
TYR CB C 0 N N -0.27399998903274536 -0.8309999704360962 0.9070000052452087
TYR CG C 0 Y N -0.1889999955892563 -0.4959999918937683 -0.5590000152587891
TYR CD1 C 0 Y N 1.0219999551773071 -0.5889999866485596 -1.218999981880188
TYR CD2 C 0 Y N -1.3240000009536743 -0.10199999809265137 -1.24399995803833
TYR CE1 C 0 Y N 1.1030000448226929 -0.28200000524520874 -2.562999963760376
TYR CE2 C 0 Y N -1.246999979019165 0.20999999344348907 -2.5869998931884766
TYR CZ C 0 Y N -0.03200000151991844 0.11800000071525574 -3.252000093460083
TYR OH O 0 N N 0.04399999976158142 0.41999998688697815 -4.573999881744385
TYR OXT O 0 N Y -1.2790000438690186 0.18400000035762787 3.8420000076293945
TYR H H 0 N N 1.9769999980926514 0.22499999403953552 1.6690000295639038
TYR H2 H 0 N Y 1.3650000095367432 1.062999963760376 0.4259999990463257
TYR HA H 0 N N -0.7670000195503235 1.1829999685287476 1.4889999628067017
TYR HB2 H 0 N N 0.4729999899864197 -1.5850000381469727 1.1519999504089355
TYR HB3 H 0 N N -1.2680000066757202 -1.218999981880188 1.1339999437332153
TYR HD1 H 0 N N 1.9049999713897705 -0.9020000100135803 -0.6830000281333923
TYR HD2 H 0 N N -2.2690000534057617 -0.03099999949336052 -0.7269999980926514
TYR HE1 H 0 N N 2.0490000247955322 -0.3540000021457672 -3.078000068664551
TYR HE2 H 0 N N -2.131999969482422 0.5230000019073486 -3.121000051498413
TYR HH H 0 N N -0.12300000339746475 -0.39899998903274536 -5.059000015258789
TYR HXT H 0 N Y -1.3329999446868896 -0.029999999329447746 4.783999919891357
VAL N N 0 N N 1.5640000104904175 -0.6420000195503235 0.45399999618530273
VAL CA C 0 N N 0.14499999582767487 -0.6980000138282776 0.07900000363588333
VAL C C 0 N N -0.03700000047683716 -0.09300000220537186 -1.2879999876022339
VAL O O 0 N N 0.703000009059906 0.7839999794960022 -1.6640000343322754
VAL CB C 0 N N -0.6819999814033508 0.0860000029206276 1.0980000495910645
VAL CG1 C 0 N N -0.4970000088214874 -0.527999997138977 2.486999988555908
VAL CG2 C 0 N N -0.21799999475479126 1.5429999828338623 1.11899995803833
VAL OXT O 0 N Y -1.0219999551773071 -0.5289999842643738 -2.0889999866485596
VAL H H 0 N N 1.8250000476837158 0.3319999873638153 0.45500001311302185
VAL H2 H 0 N Y 1.6239999532699585 -0.9589999914169312 1.409999966621399
VAL HA H 0 N N -0.1860000044107437 -1.7359999418258667 0.06400000303983688
VAL HB H 0 N N -1.7359999418258667 0.04399999976158142 0.8199999928474426
VAL HG11 H 0 N N -1.0870000123977661 0.03099999949336052 3.2139999866485596
VAL HG12 H 0 N N -0.828000009059906 -1.565999984741211 2.4719998836517334
VAL HG13 H 0 N N 0.5550000071525574 -0.4860000014305115 2.765000104904175
VAL HG21 H 0 N N 0.8349999785423279 1.5850000381469727 1.3969999551773071
VAL HG22 H 0 N N -0.3499999940395355 1.9809999465942383 0.12999999523162842
VAL HG23 H 0 N N -0.8080000281333923 2.1029999256134033 1.8450000286102295
VAL HXT H 0 N Y -1.1390000581741333 -0.14000000059604645 -2.9670000076293945
50-120 UNK X 0 N N nan nan nan
#
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