data_pdl1__h-nbbcii10.cif # _entry.id pdl1__h-nbbcii10.cif _entry.author unknown_user _entry.date 2026-08-31 _entry.time 01:25:21 # _entity.id 1 _entity.type polymer _entity.pdbx_description . # _entity_poly.entity_id 1 _entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;FTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAA LQITDVKLQDAGVYRCMISYGGADYKRITVKVN ; _entity_poly.pdbx_seq_one_letter_code_can ;FTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAA LQITDVKLQDAGVYRCMISYGGADYKRITVKVN ; _entity_poly.pdbx_strand_id A,H _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n PHE 1 1 n THR 2 1 n VAL 3 1 n THR 4 1 n VAL 5 1 n PRO 6 1 n LYS 7 1 n ASP 8 1 n LEU 9 1 n TYR 10 1 n VAL 11 1 n VAL 12 1 n GLU 13 1 n TYR 14 1 n GLY 15 1 n SER 16 1 n ASN 17 1 n MET 18 1 n THR 19 1 n ILE 20 1 n GLU 21 1 n CYS 22 1 n LYS 23 1 n PHE 24 1 n PRO 25 1 n VAL 26 1 n GLU 27 1 n LYS 28 1 n GLN 29 1 n LEU 30 1 n ASP 31 1 n LEU 32 1 n ALA 33 1 n ALA 34 1 n LEU 35 1 n ILE 36 1 n VAL 37 1 n TYR 38 1 n TRP 39 1 n GLU 40 1 n MET 41 1 n GLU 42 1 n ASP 43 1 n LYS 44 1 n ASN 45 1 n ILE 46 1 n ILE 47 1 n GLN 48 1 n PHE 49 1 n VAL 50 1 n HIS 51 1 n GLY 52 1 n GLU 53 1 n GLU 54 1 n ASP 55 1 n LEU 56 1 n LYS 57 1 n VAL 58 1 n GLN 59 1 n HIS 60 1 n SER 61 1 n SER 62 1 n TYR 63 1 n ARG 64 1 n GLN 65 1 n ARG 66 1 n ALA 67 1 n ARG 68 1 n LEU 69 1 n LEU 70 1 n LYS 71 1 n ASP 72 1 n GLN 73 1 n LEU 74 1 n SER 75 1 n LEU 76 1 n GLY 77 1 n ASN 78 1 n ALA 79 1 n ALA 80 1 n LEU 81 1 n GLN 82 1 n ILE 83 1 n THR 84 1 n ASP 85 1 n VAL 86 1 n LYS 87 1 n LEU 88 1 n GLN 89 1 n ASP 90 1 n ALA 91 1 n GLY 92 1 n VAL 93 1 n TYR 94 1 n ARG 95 1 n CYS 96 1 n MET 97 1 n ILE 98 1 n SER 99 1 n TYR 100 1 n GLY 101 1 n GLY 102 1 n ALA 103 1 n ASP 104 1 n TYR 105 1 n LYS 106 1 n ARG 107 1 n ILE 108 1 n THR 109 1 n VAL 110 1 n LYS 111 1 n VAL 112 1 n ASN 113 # 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 11-16 11-16 NON-POLYMER ? ? ? ? 8-12 8-12 NON-POLYMER ? ? ? ? 8-22 8-22 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_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_value_order _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_transformation_id _struct_conn.ptnr2_transformation_id 1 covale sing H H CYS 8-22 75 76 C UNK . . 1 1 2 covale sing H H 8-22 TRP 76 77 UNK N . . 1 1 3 covale sing H H ALA 8-12 37 38 C UNK . . 1 1 4 covale sing H H 8-12 TYR 38 39 UNK N . . 1 1 5 covale sing H H CYS 11-16 22 23 C UNK . . 1 1 6 covale sing H H 11-16 TRP 23 24 UNK N . . 1 1 # 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.mask_index_1_residue _atom_site.mask_hotspot_1_atom _atom_site.mask_InternalCoordinate_1_atom _atom_site.mask_sequence_1_residue _atom_site.condition_index-group_1_token _atom_site.condition_CoordinateGroup_1_atom _atom_site.mask_coordinate_1_atom _atom_site.annotation_expsegmax_1_residue _atom_site.mask_expsegmax_1_residue _atom_site.mask_expsegmin_1_residue _atom_site.annotation_expsegmin_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 . PHE A 1 1 . 1 PHE A N 1 66.1 1.0 ? True False False True 0 0 True -1 False False -1 0 -32.271 -35.724 0.592 1 ATOM C CA . PHE A 1 1 . 1 PHE A CA 2 66.47 1.0 ? True False False True 0 0 True -1 False False -1 1 -32.117 -34.274 0.553 1 ATOM C C . PHE A 1 1 . 1 PHE A C 3 70.09 1.0 ? True False False True 0 0 True -1 False False -1 2 -32.823 -33.65 1.741 1 ATOM O O . PHE A 1 1 . 1 PHE A O 4 76.55 1.0 ? True False False True 0 0 True -1 False False -1 3 -34.039 -33.766 1.89 1 ATOM C CB . PHE A 1 1 . 1 PHE A CB 5 62.28 1.0 ? True False False True 0 -1 False -1 False False -1 4 -32.686 -33.697 -0.745 1 ATOM C CG . PHE A 1 1 . 1 PHE A CG 6 62.85 1.0 ? True False False True 0 -1 False -1 False False -1 5 -32.537 -32.204 -0.866 1 ATOM C CD1 . PHE A 1 1 . 1 PHE A CD1 7 66.5 1.0 ? True False False True 0 -1 False -1 False False -1 6 -31.393 -31.652 -1.425 1 ATOM C CD2 . PHE A 1 1 . 1 PHE A CD2 8 65.12 1.0 ? True False False True 0 -1 False -1 False False -1 7 -33.538 -31.353 -0.412 1 ATOM C CE1 . PHE A 1 1 . 1 PHE A CE1 9 67.24 1.0 ? True False False True 0 -1 False -1 False False -1 8 -31.247 -30.266 -1.539 1 ATOM C CE2 . PHE A 1 1 . 1 PHE A CE2 10 65.97 1.0 ? True False False True 0 -1 False -1 False False -1 9 -33.404 -29.952 -0.503 1 ATOM C CZ . PHE A 1 1 . 1 PHE A CZ 11 65.27 1.0 ? True False False True 0 -1 False -1 False False -1 10 -32.256 -29.411 -1.067 1 ATOM N N . THR A 1 2 . 2 THR A N 12 71.87 1.0 ? True False False True 0 0 True -1 False False -1 11 -32.057 -32.987 2.591 1 ATOM C CA . THR A 1 2 . 2 THR A CA 13 74.38 1.0 ? True False False True 0 0 True -1 False False -1 12 -32.647 -32.212 3.668 1 ATOM C C . THR A 1 2 . 2 THR A C 14 73.03 1.0 ? True False False True 0 0 True -1 False False -1 13 -31.948 -30.868 3.789 1 ATOM O O . THR A 1 2 . 2 THR A O 15 76.6 1.0 ? True False False True 0 0 True -1 False False -1 14 -30.723 -30.793 3.731 1 ATOM C CB . THR A 1 2 . 2 THR A CB 16 82.56 1.0 ? True False False True 0 -1 False -1 False False -1 15 -32.577 -32.965 5.02 1 ATOM O OG1 . THR A 1 2 . 2 THR A OG1 17 85.6 1.0 ? True False False True 0 -1 False -1 False False -1 16 -31.208 -33.192 5.375 1 ATOM C CG2 . THR A 1 2 . 2 THR A CG2 18 64.0 1.0 ? True False False True 0 -1 False -1 False False -1 17 -33.314 -34.308 4.943 1 ATOM N N . VAL A 1 3 . 3 VAL A N 19 72.06 1.0 ? True False False True 0 0 True -1 False False -1 18 -32.733 -29.806 3.937 1 ATOM C CA . VAL A 1 3 . 3 VAL A CA 20 66.17 1.0 ? True False False True 0 0 True -1 False False -1 19 -32.19 -28.497 4.244 1 ATOM C C . VAL A 1 3 . 3 VAL A C 21 72.76 1.0 ? True False False True 0 0 True -1 False False -1 20 -31.965 -28.394 5.753 1 ATOM O O . VAL A 1 3 . 3 VAL A O 22 66.55 1.0 ? True False False True 0 0 True -1 False False -1 21 -32.867 -28.681 6.542 1 ATOM C CB . VAL A 1 3 . 3 VAL A CB 23 65.24 1.0 ? True False False True 0 -1 False -1 False False -1 22 -33.149 -27.369 3.814 1 ATOM C CG1 . VAL A 1 3 . 3 VAL A CG1 24 58.79 1.0 ? True False False True 0 -1 False -1 False False -1 23 -32.68 -26.051 4.361 1 ATOM C CG2 . VAL A 1 3 . 3 VAL A CG2 25 63.47 1.0 ? True False False True 0 -1 False -1 False False -1 24 -33.273 -27.314 2.301 1 ATOM N N . THR A 1 4 . 4 THR A N 26 68.27 1.0 ? True False False True 0 0 True -1 False False -1 25 -30.769 -27.974 6.151 1 ATOM C CA . THR A 1 4 . 4 THR A CA 27 60.27 1.0 ? True False False True 0 0 True -1 False False -1 26 -30.417 -27.882 7.563 1 ATOM C C . THR A 1 4 . 4 THR A C 28 75.52 1.0 ? True False False True 0 0 True -1 False False -1 27 -30.118 -26.435 7.948 1 ATOM O O . THR A 1 4 . 4 THR A O 29 74.19 1.0 ? True False False True 0 0 True -1 False False -1 28 -29.609 -25.65 7.138 1 ATOM C CB . THR A 1 4 . 4 THR A CB 30 75.75 1.0 ? True False False True 0 -1 False -1 False False -1 29 -29.22 -28.802 7.895 1 ATOM O OG1 . THR A 1 4 . 4 THR A OG1 31 89.66 1.0 ? True False False True 0 -1 False -1 False False -1 30 -28.766 -28.544 9.226 1 ATOM C CG2 . THR A 1 4 . 4 THR A CG2 32 81.55 1.0 ? True False False True 0 -1 False -1 False False -1 31 -28.073 -28.574 6.928 1 ATOM N N . VAL A 1 5 . 5 VAL A N 33 67.9 1.0 ? True False False True 0 0 True -1 False False -1 32 -30.456 -26.068 9.178 1 ATOM C CA . VAL A 1 5 . 5 VAL A CA 34 71.8 1.0 ? True False False True 0 0 True -1 False False -1 33 -30.2 -24.717 9.621 1 ATOM C C . VAL A 1 5 . 5 VAL A C 35 79.85 1.0 ? True False False True 0 0 True -1 False False -1 34 -29.186 -24.723 10.765 1 ATOM O O . VAL A 1 5 . 5 VAL A O 36 77.88 1.0 ? True False False True 0 0 True -1 False False -1 35 -29.367 -25.416 11.767 1 ATOM C CB . VAL A 1 5 . 5 VAL A CB 37 74.28 1.0 ? True False False True 0 -1 False -1 False False -1 36 -31.517 -23.978 9.967 1 ATOM C CG1 . VAL A 1 5 . 5 VAL A CG1 38 69.12 1.0 ? True False False True 0 -1 False -1 False False -1 37 -32.193 -24.57 11.214 1 ATOM C CG2 . VAL A 1 5 . 5 VAL A CG2 39 86.52 1.0 ? True False False True 0 -1 False -1 False False -1 38 -31.249 -22.523 10.137 1 ATOM N N . PRO A 1 6 . 6 PRO A N 40 89.12 1.0 ? True False False True 0 0 True -1 False False -1 39 -28.08 -23.99 10.585 1 ATOM C CA . PRO A 1 6 . 6 PRO A CA 41 92.65 1.0 ? True False False True 0 0 True -1 False False -1 40 -27.02 -23.902 11.592 1 ATOM C C . PRO A 1 6 . 6 PRO A C 42 84.33 1.0 ? True False False True 0 0 True -1 False False -1 41 -27.618 -23.473 12.92 1 ATOM O O . PRO A 1 6 . 6 PRO A O 43 83.07 1.0 ? True False False True 0 0 True -1 False False -1 42 -27.394 -24.107 13.957 1 ATOM C CB . PRO A 1 6 . 6 PRO A CB 44 98.62 1.0 ? True False False True 0 -1 False -1 False False -1 43 -26.126 -22.778 11.058 1 ATOM C CG . PRO A 1 6 . 6 PRO A CG 45 101.06 1.0 ? True False False True 0 -1 False -1 False False -1 44 -26.372 -22.751 9.598 1 ATOM C CD . PRO A 1 6 . 6 PRO A CD 46 98.26 1.0 ? True False False True 0 -1 False -1 False False -1 45 -27.802 -23.149 9.407 1 ATOM N N . LYS A 1 7 . 7 LYS A N 47 72.77 1.0 ? True False False True 0 0 True -1 False False -1 46 -28.399 -22.4 12.858 1 ATOM C CA . LYS A 1 7 . 7 LYS A CA 48 71.32 1.0 ? True False False True 0 0 True -1 False False -1 47 -29.021 -21.826 14.027 1 ATOM C C . LYS A 1 7 . 7 LYS A C 49 67.47 1.0 ? True False False True 0 0 True -1 False False -1 48 -30.508 -21.613 13.77 1 ATOM O O . LYS A 1 7 . 7 LYS A O 50 72.01 1.0 ? True False False True 0 0 True -1 False False -1 49 -30.906 -21.067 12.747 1 ATOM C CB . LYS A 1 7 . 7 LYS A CB 51 72.42 1.0 ? True False False True 0 -1 False -1 False False -1 50 -28.342 -20.5 14.366 1 ATOM C CG . LYS A 1 7 . 7 LYS A CG 52 81.16 1.0 ? True False False True 0 -1 False -1 False False -1 51 -28.479 -20.081 15.807 1 ATOM C CD . LYS A 1 7 . 7 LYS A CD 53 80.32 1.0 ? True False False True 0 -1 False -1 False False -1 52 -27.502 -18.966 16.128 1 ATOM C CE . LYS A 1 7 . 7 LYS A CE 54 75.39 1.0 ? True False False True 0 -1 False -1 False False -1 53 -27.507 -17.915 15.037 1 ATOM N NZ . LYS A 1 7 . 7 LYS A NZ 55 78.41 1.0 +1 True False False True 0 -1 False -1 False False -1 54 -26.739 -16.707 15.447 1 ATOM N N . ASP A 1 8 . 8 ASP A N 56 65.01 1.0 ? True False False True 0 0 True -1 False False -1 55 -31.317 -22.046 14.722 1 ATOM C CA . ASP A 1 8 . 8 ASP A CA 57 69.26 1.0 ? True False False True 0 0 True -1 False False -1 56 -32.766 -21.912 14.674 1 ATOM C C . ASP A 1 8 . 8 ASP A C 58 66.15 1.0 ? True False False True 0 0 True -1 False False -1 57 -33.226 -20.499 15.067 1 ATOM O O . ASP A 1 8 . 8 ASP A O 59 62.93 1.0 ? True False False True 0 0 True -1 False False -1 58 -34.319 -20.048 14.713 1 ATOM C CB . ASP A 1 8 . 8 ASP A CB 60 82.67 1.0 ? True False False True 0 -1 False -1 False False -1 59 -33.346 -22.904 15.678 1 ATOM C CG . ASP A 1 8 . 8 ASP A CG 61 102.79 1.0 ? True False False True 0 -1 False -1 False False -1 60 -34.734 -23.341 15.321 1 ATOM O OD1 . ASP A 1 8 . 8 ASP A OD1 62 111.45 1.0 ? True False False True 0 -1 False -1 False False -1 61 -35.352 -22.694 14.447 1 ATOM O OD2 . ASP A 1 8 . 8 ASP A OD2 63 106.23 1.0 ? True False False True 0 -1 False -1 False False -1 62 -35.202 -24.336 15.915 1 ATOM N N . LEU A 1 9 . 9 LEU A N 64 56.47 1.0 ? True False False True 0 0 True -1 False False -1 63 -32.386 -19.813 15.829 1 ATOM C CA . LEU A 1 9 . 9 LEU A CA 65 57.19 1.0 ? True False False True 0 0 True -1 False False -1 64 -32.76 -18.549 16.438 1 ATOM C C . LEU A 1 9 . 9 LEU A C 66 58.47 1.0 ? True False False True 0 0 True -1 False False -1 65 -31.65 -17.544 16.253 1 ATOM O O . LEU A 1 9 . 9 LEU A O 67 61.21 1.0 ? True False False True 0 0 True -1 False False -1 66 -30.503 -17.815 16.604 1 ATOM C CB . LEU A 1 9 . 9 LEU A CB 68 59.91 1.0 ? True False False True 0 -1 False -1 False False -1 67 -32.999 -18.755 17.931 1 ATOM C CG . LEU A 1 9 . 9 LEU A CG 69 63.32 1.0 ? True False False True 0 -1 False -1 False False -1 68 -33.344 -17.541 18.787 1 ATOM C CD1 . LEU A 1 9 . 9 LEU A CD1 70 64.88 1.0 ? True False False True 0 -1 False -1 False False -1 69 -34.51 -16.785 18.183 1 ATOM C CD2 . LEU A 1 9 . 9 LEU A CD2 71 63.78 1.0 ? True False False True 0 -1 False -1 False False -1 70 -33.673 -17.994 20.207 1 ATOM N N . TYR A 1 10 . 10 TYR A N 72 51.23 1.0 ? True False False True 0 0 True -1 False False -1 71 -31.984 -16.384 15.698 1 ATOM C CA . TYR A 1 10 . 10 TYR A CA 73 55.05 1.0 ? True False False True 0 0 True -1 False False -1 72 -31.012 -15.301 15.625 1 ATOM C C . TYR A 1 10 . 10 TYR A C 74 58.65 1.0 ? True False False True 0 0 True -1 False False -1 73 -31.464 -14.131 16.484 1 ATOM O O . TYR A 1 10 . 10 TYR A O 75 54.56 1.0 ? True False False True 0 0 True -1 False False -1 74 -32.64 -13.755 16.489 1 ATOM C CB . TYR A 1 10 . 10 TYR A CB 76 55.7 1.0 ? True False False True 0 -1 False -1 False False -1 75 -30.822 -14.808 14.184 1 ATOM C CG . TYR A 1 10 . 10 TYR A CG 77 58.56 1.0 ? True False False True 0 -1 False -1 False False -1 76 -30.079 -15.758 13.265 1 ATOM C CD1 . TYR A 1 10 . 10 TYR A CD1 78 54.46 1.0 ? True False False True 0 -1 False -1 False False -1 77 -30.683 -16.917 12.794 1 ATOM C CD2 . TYR A 1 10 . 10 TYR A CD2 79 58.43 1.0 ? True False False True 0 -1 False -1 False False -1 78 -28.784 -15.479 12.844 1 ATOM C CE1 . TYR A 1 10 . 10 TYR A CE1 80 60.33 1.0 ? True False False True 0 -1 False -1 False False -1 79 -30.009 -17.787 11.936 1 ATOM C CE2 . TYR A 1 10 . 10 TYR A CE2 81 57.43 1.0 ? True False False True 0 -1 False -1 False False -1 80 -28.099 -16.34 11.987 1 ATOM C CZ . TYR A 1 10 . 10 TYR A CZ 82 62.07 1.0 ? True False False True 0 -1 False -1 False False -1 81 -28.717 -17.494 11.538 1 ATOM O OH . TYR A 1 10 . 10 TYR A OH 83 66.33 1.0 ? True False False True 0 -1 False -1 False False -1 82 -28.051 -18.351 10.685 1 ATOM N N . VAL A 1 11 . 11 VAL A N 84 52.94 1.0 ? True False False True 0 0 True -1 False False -1 83 -30.519 -13.545 17.203 1 ATOM C CA . VAL A 1 11 . 11 VAL A CA 85 61.17 1.0 ? True False False True 0 0 True -1 False False -1 84 -30.775 -12.287 17.867 1 ATOM C C . VAL A 1 11 . 11 VAL A C 86 59.0 1.0 ? True False False True 0 0 True -1 False False -1 85 -29.924 -11.259 17.161 1 ATOM O O . VAL A 1 11 . 11 VAL A O 87 61.18 1.0 ? True False False True 0 0 True -1 False False -1 86 -28.716 -11.442 17.011 1 ATOM C CB . VAL A 1 11 . 11 VAL A CB 88 61.28 1.0 ? True False False True 0 -1 False -1 False False -1 87 -30.459 -12.348 19.359 1 ATOM C CG1 . VAL A 1 11 . 11 VAL A CG1 89 57.29 1.0 ? True False False True 0 -1 False -1 False False -1 88 -30.816 -11.027 20.011 1 ATOM C CG2 . VAL A 1 11 . 11 VAL A CG2 90 65.17 1.0 ? True False False True 0 -1 False -1 False False -1 89 -31.246 -13.481 19.993 1 ATOM N N . VAL A 1 12 . 12 VAL A N 91 59.3 1.0 ? True False False True 0 0 True -1 False False -1 90 -30.572 -10.2 16.693 1 ATOM C CA . VAL A 1 12 . 12 VAL A CA 92 60.56 1.0 ? True False False True 0 0 True -1 False False -1 91 -29.944 -9.262 15.777 1 ATOM C C . VAL A 1 12 . 12 VAL A C 93 60.31 1.0 ? True False False True 0 0 True -1 False False -1 92 -30.001 -7.844 16.348 1 ATOM O O . VAL A 1 12 . 12 VAL A O 94 54.3 1.0 ? True False False True 0 0 True -1 False False -1 93 -30.975 -7.465 17.013 1 ATOM C CB . VAL A 1 12 . 12 VAL A CB 95 64.14 1.0 ? True False False True 0 -1 False -1 False False -1 94 -30.616 -9.334 14.383 1 ATOM C CG1 . VAL A 1 12 . 12 VAL A CG1 96 70.62 1.0 ? True False False True 0 -1 False -1 False False -1 95 -30.021 -8.316 13.434 1 ATOM C CG2 . VAL A 1 12 . 12 VAL A CG2 97 69.64 1.0 ? True False False True 0 -1 False -1 False False -1 96 -30.471 -10.735 13.808 1 ATOM N N . GLU A 1 13 . 13 GLU A N 98 64.48 1.0 ? True False False True 0 0 True -1 False False -1 97 -28.939 -7.079 16.119 1 ATOM C CA . GLU A 1 13 . 13 GLU A CA 99 60.35 1.0 ? True False False True 0 0 True -1 False False -1 98 -28.87 -5.708 16.619 1 ATOM C C . GLU A 1 13 . 13 GLU A C 100 58.68 1.0 ? True False False True 0 0 True -1 False False -1 99 -29.467 -4.707 15.645 1 ATOM O O . GLU A 1 13 . 13 GLU A O 101 60.27 1.0 ? True False False True 0 0 True -1 False False -1 100 -29.104 -4.69 14.473 1 ATOM C CB . GLU A 1 13 . 13 GLU A CB 102 55.74 1.0 ? True False False True 0 -1 False -1 False False -1 101 -27.427 -5.324 16.929 1 ATOM C CG . GLU A 1 13 . 13 GLU A CG 103 69.25 1.0 ? True False False True 0 -1 False -1 False False -1 102 -26.91 -5.876 18.237 1 ATOM C CD . GLU A 1 13 . 13 GLU A CD 104 76.87 1.0 ? True False False True 0 -1 False -1 False False -1 103 -25.501 -5.408 18.535 1 ATOM O OE1 . GLU A 1 13 . 13 GLU A OE1 105 81.5 1.0 ? True False False True 0 -1 False -1 False False -1 104 -25.054 -4.421 17.899 1 ATOM O OE2 . GLU A 1 13 . 13 GLU A OE2 106 72.91 1.0 ? True False False True 0 -1 False -1 False False -1 105 -24.844 -6.027 19.401 1 ATOM N N . TYR A 1 14 . 14 TYR A N 107 59.88 1.0 ? True False False True 0 0 True -1 False False -1 106 -30.376 -3.876 16.154 1 ATOM C CA . TYR A 1 14 . 14 TYR A CA 108 61.33 1.0 ? True False False True 0 0 True -1 False False -1 107 -30.965 -2.756 15.411 1 ATOM C C . TYR A 1 14 . 14 TYR A C 109 55.55 1.0 ? True False False True 0 0 True -1 False False -1 108 -29.921 -2.006 14.592 1 ATOM O O . TYR A 1 14 . 14 TYR A O 110 56.53 1.0 ? True False False True 0 0 True -1 False False -1 109 -28.865 -1.634 15.1 1 ATOM C CB . TYR A 1 14 . 14 TYR A CB 111 61.64 1.0 ? True False False True 0 -1 False -1 False False -1 110 -31.62 -1.776 16.393 1 ATOM C CG . TYR A 1 14 . 14 TYR A CG 112 57.41 1.0 ? True False False True 0 -1 False -1 False False -1 111 -32.498 -0.703 15.781 1 ATOM C CD1 . TYR A 1 14 . 14 TYR A CD1 113 54.45 1.0 ? True False False True 0 -1 False -1 False False -1 112 -33.859 -0.914 15.61 1 ATOM C CD2 . TYR A 1 14 . 14 TYR A CD2 114 61.05 1.0 ? True False False True 0 -1 False -1 False False -1 113 -31.973 0.536 15.407 1 ATOM C CE1 . TYR A 1 14 . 14 TYR A CE1 115 64.71 1.0 ? True False False True 0 -1 False -1 False False -1 114 -34.671 0.055 15.067 1 ATOM C CE2 . TYR A 1 14 . 14 TYR A CE2 116 60.7 1.0 ? True False False True 0 -1 False -1 False False -1 115 -32.778 1.514 14.86 1 ATOM C CZ . TYR A 1 14 . 14 TYR A CZ 117 65.48 1.0 ? True False False True 0 -1 False -1 False False -1 116 -34.129 1.267 14.696 1 ATOM O OH . TYR A 1 14 . 14 TYR A OH 118 71.06 1.0 ? True False False True 0 -1 False -1 False False -1 117 -34.946 2.222 14.152 1 ATOM N N . GLY A 1 15 . 15 GLY A N 119 54.28 1.0 ? True False False True 0 0 True -1 False False -1 118 -30.216 -1.801 13.317 1 ATOM C CA . GLY A 1 15 . 15 GLY A CA 120 60.42 1.0 ? True False False True 0 0 True -1 False False -1 119 -29.349 -1.017 12.457 1 ATOM C C . GLY A 1 15 . 15 GLY A C 121 64.5 1.0 ? True False False True 0 0 True -1 False False -1 120 -28.19 -1.763 11.821 1 ATOM O O . GLY A 1 15 . 15 GLY A O 122 65.22 1.0 ? True False False True 0 0 True -1 False False -1 121 -27.472 -1.195 11.004 1 ATOM N N . SER A 1 16 . 16 SER A N 123 63.69 1.0 ? True False False True 0 0 True -1 False False -1 122 -27.988 -3.026 12.189 1 ATOM C CA . SER A 1 16 . 16 SER A CA 124 61.87 1.0 ? True False False True 0 0 True -1 False False -1 123 -26.915 -3.803 11.573 1 ATOM C C . SER A 1 16 . 16 SER A C 125 61.52 1.0 ? True False False True 0 0 True -1 False False -1 124 -27.418 -4.516 10.328 1 ATOM O O . SER A 1 16 . 16 SER A O 126 63.79 1.0 ? True False False True 0 0 True -1 False False -1 125 -28.578 -4.372 9.939 1 ATOM C CB . SER A 1 16 . 16 SER A CB 127 61.93 1.0 ? True False False True 0 -1 False -1 False False -1 126 -26.35 -4.828 12.557 1 ATOM O OG . SER A 1 16 . 16 SER A OG 128 62.53 1.0 ? True False False True 0 -1 False -1 False False -1 127 -27.367 -5.715 13.003 1 ATOM N N . ASN A 1 17 . 17 ASN A N 129 57.37 1.0 ? True False False True 0 0 True -1 False False -1 128 -26.527 -5.265 9.693 1 ATOM C CA . ASN A 1 17 . 17 ASN A CA 130 62.42 1.0 ? True False False True 0 0 True -1 False False -1 129 -26.917 -6.175 8.626 1 ATOM C C . ASN A 1 17 . 17 ASN A C 131 64.49 1.0 ? True False False True 0 0 True -1 False False -1 130 -27.046 -7.546 9.24 1 ATOM O O . ASN A 1 17 . 17 ASN A O 132 69.43 1.0 ? True False False True 0 0 True -1 False False -1 131 -26.282 -7.896 10.138 1 ATOM C CB . ASN A 1 17 . 17 ASN A CB 133 60.9 1.0 ? True False False True 0 -1 False -1 False False -1 132 -25.879 -6.191 7.513 1 ATOM C CG . ASN A 1 17 . 17 ASN A CG 134 66.85 1.0 ? True False False True 0 -1 False -1 False False -1 133 -25.596 -4.815 6.989 1 ATOM O OD1 . ASN A 1 17 . 17 ASN A OD1 135 65.01 1.0 ? True False False True 0 -1 False -1 False False -1 134 -26.483 -3.964 6.969 1 ATOM N ND2 . ASN A 1 17 . 17 ASN A ND2 136 76.52 1.0 ? True False False True 0 -1 False -1 False False -1 135 -24.357 -4.573 6.582 1 ATOM N N . MET A 1 18 . 18 MET A N 137 61.66 1.0 ? True False False True 0 0 True -1 False False -1 136 -28.029 -8.303 8.77 1 ATOM C CA . MET A 1 18 . 18 MET A CA 138 59.7 1.0 ? True False False True 0 0 True -1 False False -1 137 -28.315 -9.639 9.285 1 ATOM C C . MET A 1 18 . 18 MET A C 139 54.45 1.0 ? True False False True 0 0 True -1 False False -1 138 -28.122 -10.661 8.173 1 ATOM O O . MET A 1 18 . 18 MET A O 140 51.81 1.0 ? True False False True 0 0 True -1 False False -1 139 -28.481 -10.407 7.019 1 ATOM C CB . MET A 1 18 . 18 MET A CB 141 65.21 1.0 ? True False False True 0 -1 False -1 False False -1 140 -29.749 -9.664 9.817 1 ATOM C CG . MET A 1 18 . 18 MET A CG 142 72.84 1.0 ? True False False True 0 -1 False -1 False False -1 141 -30.484 -10.969 9.716 1 ATOM S SD . MET A 1 18 . 18 MET A SD 143 95.92 1.0 ? True False False True 0 -1 False -1 False False -1 142 -32.197 -10.766 10.262 1 ATOM C CE . MET A 1 18 . 18 MET A CE 144 59.95 1.0 ? True False False True 0 -1 False -1 False False -1 143 -32.711 -9.375 9.256 1 ATOM N N . THR A 1 19 . 19 THR A N 145 57.01 1.0 ? True False False True 0 0 True -1 False False -1 144 -27.517 -11.797 8.501 1 ATOM C CA . THR A 1 19 . 19 THR A CA 146 59.28 1.0 ? True False False True 0 0 True -1 False False -1 145 -27.356 -12.867 7.522 1 ATOM C C . THR A 1 19 . 19 THR A C 147 64.61 1.0 ? True False False True 0 0 True -1 False False -1 146 -27.786 -14.186 8.137 1 ATOM O O . THR A 1 19 . 19 THR A O 148 68.99 1.0 ? True False False True 0 0 True -1 False False -1 147 -27.147 -14.676 9.07 1 ATOM C CB . THR A 1 19 . 19 THR A CB 149 63.21 1.0 ? True False False True 0 -1 False -1 False False -1 148 -25.905 -12.987 7.031 1 ATOM O OG1 . THR A 1 19 . 19 THR A OG1 150 64.88 1.0 ? True False False True 0 -1 False -1 False False -1 149 -25.543 -11.806 6.302 1 ATOM C CG2 . THR A 1 19 . 19 THR A CG2 151 60.82 1.0 ? True False False True 0 -1 False -1 False False -1 150 -25.743 -14.213 6.123 1 ATOM N N . ILE A 1 20 . 20 ILE A N 152 58.43 1.0 ? True False False True 0 0 True -1 False False -1 151 -28.878 -14.747 7.625 1 ATOM C CA . ILE A 1 20 . 20 ILE A CA 153 64.05 1.0 ? True False False True 0 0 True -1 False False -1 152 -29.386 -16.014 8.13 1 ATOM C C . ILE A 1 20 . 20 ILE A C 154 65.58 1.0 ? True False False True 0 0 True -1 False False -1 153 -29.291 -17.076 7.041 1 ATOM O O . ILE A 1 20 . 20 ILE A O 155 61.27 1.0 ? True False False True 0 0 True -1 False False -1 154 -29.403 -16.773 5.846 1 ATOM C CB . ILE A 1 20 . 20 ILE A CB 156 63.59 1.0 ? True False False True 0 -1 False -1 False False -1 155 -30.818 -15.877 8.693 1 ATOM C CG1 . ILE A 1 20 . 20 ILE A CG1 157 66.85 1.0 ? True False False True 0 -1 False -1 False False -1 156 -31.801 -15.47 7.596 1 ATOM C CG2 . ILE A 1 20 . 20 ILE A CG2 158 59.82 1.0 ? True False False True 0 -1 False -1 False False -1 157 -30.84 -14.841 9.82 1 ATOM C CD1 . ILE A 1 20 . 20 ILE A CD1 159 61.49 1.0 ? True False False True 0 -1 False -1 False False -1 158 -33.252 -15.54 8.03 1 ATOM N N . GLU A 1 21 . 21 GLU A N 160 64.39 1.0 ? True False False True 0 0 True -1 False False -1 159 -29.069 -18.32 7.448 1 ATOM C CA . GLU A 1 21 . 21 GLU A CA 161 64.84 1.0 ? True False False True 0 0 True -1 False False -1 160 -28.673 -19.346 6.488 1 ATOM C C . GLU A 1 21 . 21 GLU A C 162 65.21 1.0 ? True False False True 0 0 True -1 False False -1 161 -29.491 -20.629 6.518 1 ATOM O O . GLU A 1 21 . 21 GLU A O 163 58.78 1.0 ? True False False True 0 0 True -1 False False -1 162 -29.924 -21.081 7.582 1 ATOM C CB . GLU A 1 21 . 21 GLU A CB 164 74.22 1.0 ? True False False True 0 -1 False -1 False False -1 163 -27.209 -19.714 6.715 1 ATOM C CG . GLU A 1 21 . 21 GLU A CG 165 69.02 1.0 ? True False False True 0 -1 False -1 False False -1 164 -26.258 -18.546 6.646 1 ATOM C CD . GLU A 1 21 . 21 GLU A CD 166 73.08 1.0 ? True False False True 0 -1 False -1 False False -1 165 -24.865 -18.93 7.09 1 ATOM O OE1 . GLU A 1 21 . 21 GLU A OE1 167 74.83 1.0 ? True False False True 0 -1 False -1 False False -1 166 -23.885 -18.415 6.502 1 ATOM O OE2 . GLU A 1 21 . 21 GLU A OE2 168 71.93 1.0 ? True False False True 0 -1 False -1 False False -1 167 -24.752 -19.751 8.028 1 ATOM N N . CYS A 1 22 . 22 CYS A N 169 62.1 1.0 ? True False False True 0 0 True -1 False False -1 168 -29.675 -21.206 5.33 1 ATOM C CA . CYS A 1 22 . 22 CYS A CA 170 59.83 1.0 ? True False False True 0 0 True -1 False False -1 169 -30.202 -22.553 5.143 1 ATOM C C . CYS A 1 22 . 22 CYS A C 171 66.96 1.0 ? True False False True 0 0 True -1 False False -1 170 -29.221 -23.323 4.295 1 ATOM O O . CYS A 1 22 . 22 CYS A O 172 69.01 1.0 ? True False False True 0 0 True -1 False False -1 171 -28.912 -22.916 3.175 1 ATOM C CB . CYS A 1 22 . 22 CYS A CB 173 55.17 1.0 ? True False False True 0 -1 False -1 False False -1 172 -31.545 -22.525 4.418 1 ATOM S SG . CYS A 1 22 . 22 CYS A SG 174 68.71 1.0 ? True False False True 0 -1 False -1 False False -1 173 -32.874 -22.022 5.497 1 ATOM N N . LYS A 1 23 . 23 LYS A N 175 66.16 1.0 ? True False False True 0 0 True -1 False False -1 174 -28.737 -24.442 4.82 1 ATOM C CA . LYS A 1 23 . 23 LYS A CA 176 63.55 1.0 ? True False False True 0 0 True -1 False False -1 175 -27.764 -25.243 4.096 1 ATOM C C . LYS A 1 23 . 23 LYS A C 177 67.66 1.0 ? True False False True 0 0 True -1 False False -1 176 -28.407 -26.441 3.411 1 ATOM O O . LYS A 1 23 . 23 LYS A O 178 72.46 1.0 ? True False False True 0 0 True -1 False False -1 177 -29.44 -26.948 3.848 1 ATOM C CB . LYS A 1 23 . 23 LYS A CB 179 68.37 1.0 ? True False False True 0 -1 False -1 False False -1 178 -26.622 -25.66 5.021 1 ATOM C CG . LYS A 1 23 . 23 LYS A CG 180 71.55 1.0 ? True False False True 0 -1 False -1 False False -1 179 -26.09 -24.484 5.834 1 ATOM C CD . LYS A 1 23 . 23 LYS A CD 181 80.39 1.0 ? True False False True 0 -1 False -1 False False -1 180 -24.619 -24.632 6.138 1 ATOM C CE . LYS A 1 23 . 23 LYS A CE 182 87.34 1.0 ? True False False True 0 -1 False -1 False False -1 181 -24.079 -23.383 6.816 1 ATOM N NZ . LYS A 1 23 . 23 LYS A NZ 183 92.72 1.0 +1 True False False True 0 -1 False -1 False False -1 182 -22.614 -23.49 7.073 1 ATOM N N . PHE A 1 24 . 24 PHE A N 184 64.66 1.0 ? True False False True 0 0 True -1 False False -1 183 -27.782 -26.88 2.326 1 ATOM C CA . PHE A 1 24 . 24 PHE A CA 185 61.73 1.0 ? True False False True 0 0 True -1 False False -1 184 -28.313 -27.945 1.495 1 ATOM C C . PHE A 1 24 . 24 PHE A C 186 68.88 1.0 ? True False False True 0 0 True -1 False False -1 185 -27.14 -28.63 0.778 1 ATOM O O . PHE A 1 24 . 24 PHE A O 187 69.21 1.0 ? True False False True 0 0 True -1 False False -1 186 -26.113 -27.995 0.544 1 ATOM C CB . PHE A 1 24 . 24 PHE A CB 188 65.45 1.0 ? True False False True 0 -1 False -1 False False -1 187 -29.337 -27.372 0.506 1 ATOM C CG . PHE A 1 24 . 24 PHE A CG 189 65.74 1.0 ? True False False True 0 -1 False -1 False False -1 188 -28.748 -26.403 -0.494 1 ATOM C CD1 . PHE A 1 24 . 24 PHE A CD1 190 77.41 1.0 ? True False False True 0 -1 False -1 False False -1 189 -28.471 -26.815 -1.798 1 ATOM C CD2 . PHE A 1 24 . 24 PHE A CD2 191 64.91 1.0 ? True False False True 0 -1 False -1 False False -1 190 -28.47 -25.097 -0.135 1 ATOM C CE1 . PHE A 1 24 . 24 PHE A CE1 192 72.07 1.0 ? True False False True 0 -1 False -1 False False -1 191 -27.926 -25.935 -2.722 1 ATOM C CE2 . PHE A 1 24 . 24 PHE A CE2 193 62.89 1.0 ? True False False True 0 -1 False -1 False False -1 192 -27.925 -24.21 -1.052 1 ATOM C CZ . PHE A 1 24 . 24 PHE A CZ 194 61.76 1.0 ? True False False True 0 -1 False -1 False False -1 193 -27.653 -24.63 -2.347 1 ATOM N N . PRO A 1 25 . 25 PRO A N 195 70.7 1.0 ? True False False True 0 0 True -1 False False -1 194 -27.273 -29.934 0.469 1 ATOM C CA . PRO A 1 25 . 25 PRO A CA 196 83.06 1.0 ? True False False True 0 0 True -1 False False -1 195 -26.191 -30.744 -0.112 1 ATOM C C . PRO A 1 25 . 25 PRO A C 197 94.53 1.0 ? True False False True 0 0 True -1 False False -1 196 -25.666 -30.262 -1.472 1 ATOM O O . PRO A 1 25 . 25 PRO A O 198 94.39 1.0 ? True False False True 0 0 True -1 False False -1 197 -26.461 -30.038 -2.38 1 ATOM C CB . PRO A 1 25 . 25 PRO A CB 199 85.27 1.0 ? True False False True 0 -1 False -1 False False -1 198 -26.845 -32.125 -0.287 1 ATOM C CG . PRO A 1 25 . 25 PRO A CG 200 81.09 1.0 ? True False False True 0 -1 False -1 False False -1 199 -27.94 -32.158 0.712 1 ATOM C CD . PRO A 1 25 . 25 PRO A CD 201 71.67 1.0 ? True False False True 0 -1 False -1 False False -1 200 -28.453 -30.751 0.806 1 ATOM N N . VAL A 1 26 . 26 VAL A N 202 103.27 1.0 ? True False False True 0 0 True -1 False False -1 201 -24.345 -30.123 -1.605 1 ATOM C CA . VAL A 1 26 . 26 VAL A CA 203 103.89 1.0 ? True False False True 0 0 True -1 False False -1 202 -23.697 -29.853 -2.898 1 ATOM C C . VAL A 1 26 . 26 VAL A C 204 105.08 1.0 ? True False False True 0 0 True -1 False False -1 203 -22.394 -30.648 -3.051 1 ATOM O O . VAL A 1 26 . 26 VAL A O 205 106.15 1.0 ? True False False True 0 0 True -1 False False -1 204 -21.372 -30.287 -2.464 1 ATOM C CB . VAL A 1 26 . 26 VAL A CB 206 85.11 1.0 ? True False False True 0 -1 False -1 False False -1 205 -23.356 -28.351 -3.088 1 ATOM C CG1 . VAL A 1 26 . 26 VAL A CG1 207 84.34 1.0 ? True False False True 0 -1 False -1 False False -1 206 -22.604 -28.14 -4.396 1 ATOM C CG2 . VAL A 1 26 . 26 VAL A CG2 208 85.4 1.0 ? True False False True 0 -1 False -1 False False -1 207 -24.61 -27.496 -3.06 1 ATOM N N . GLU A 1 27 . 27 GLU A N 209 107.34 1.0 ? True False False True 0 0 True -1 False False -1 208 -22.42 -31.723 -3.839 1 ATOM C CA . GLU A 1 27 . 27 GLU A CA 210 108.5 1.0 ? True False False True 0 0 True -1 False False -1 209 -21.217 -32.538 -4.043 1 ATOM C C . GLU A 1 27 . 27 GLU A C 211 105.32 1.0 ? True False False True 0 0 True -1 False False -1 210 -20.391 -32.12 -5.258 1 ATOM O O . GLU A 1 27 . 27 GLU A O 212 105.34 1.0 ? True False False True 0 0 True -1 False False -1 211 -19.176 -31.925 -5.161 1 ATOM C CB . GLU A 1 27 . 27 GLU A CB 213 109.33 1.0 ? True False False True 0 -1 False -1 False False -1 212 -21.551 -34.029 -4.155 1 ATOM C CG . GLU A 1 27 . 27 GLU A CG 214 113.59 1.0 ? True False False True 0 -1 False -1 False False -1 213 -20.393 -34.84 -4.737 1 ATOM C CD . GLU A 1 27 . 27 GLU A CD 215 113.0 1.0 ? True False False True 0 -1 False -1 False False -1 214 -20.56 -36.335 -4.57 1 ATOM O OE1 . GLU A 1 27 . 27 GLU A OE1 216 109.47 1.0 ? True False False True 0 -1 False -1 False False -1 215 -20.704 -37.038 -5.592 1 ATOM O OE2 . GLU A 1 27 . 27 GLU A OE2 217 115.91 1.0 ? True False False True 0 -1 False -1 False False -1 216 -20.529 -36.804 -3.413 1 ATOM N N . LYS A 1 28 . 28 LYS A N 218 105.06 1.0 ? True False False True 0 0 True -1 False False -1 217 -21.052 -32.005 -6.405 1 ATOM C CA . LYS A 1 28 . 28 LYS A CA 219 106.22 1.0 ? True False False True 0 0 True -1 False False -1 218 -20.381 -31.615 -7.639 1 ATOM C C . LYS A 1 28 . 28 LYS A C 220 101.2 1.0 ? True False False True 0 0 True -1 False False -1 219 -20.142 -30.105 -7.652 1 ATOM O O . LYS A 1 28 . 28 LYS A O 221 103.92 1.0 ? True False False True 0 0 True -1 False False -1 220 -19.812 -29.503 -6.628 1 ATOM C CB . LYS A 1 28 . 28 LYS A CB 222 100.97 1.0 ? True False False True 0 -1 False -1 False False -1 221 -21.223 -32.024 -8.855 1 ATOM C CG . LYS A 1 28 . 28 LYS A CG 223 97.25 1.0 ? True False False True 0 -1 False -1 False False -1 222 -21.853 -33.411 -8.768 1 ATOM C CD . LYS A 1 28 . 28 LYS A CD 224 97.01 1.0 ? True False False True 0 -1 False -1 False False -1 223 -21.212 -34.405 -9.727 1 ATOM C CE . LYS A 1 28 . 28 LYS A CE 225 96.86 1.0 ? True False False True 0 -1 False -1 False False -1 224 -19.892 -34.94 -9.196 1 ATOM N NZ . LYS A 1 28 . 28 LYS A NZ 226 92.4 1.0 +1 True False False True 0 -1 False -1 False False -1 225 -19.327 -36.01 -10.076 1 ATOM N N . GLN A 1 29 . 29 GLN A N 227 99.65 1.0 ? True False False True 0 0 True -1 False False -1 226 -20.297 -29.497 -8.821 1 ATOM C CA . GLN A 1 29 . 29 GLN A CA 228 97.22 1.0 ? True False False True 0 0 True -1 False False -1 227 -20.336 -28.05 -8.903 1 ATOM C C . GLN A 1 29 . 29 GLN A C 229 93.09 1.0 ? True False False True 0 0 True -1 False False -1 228 -21.789 -27.645 -8.996 1 ATOM O O . GLN A 1 29 . 29 GLN A O 230 93.65 1.0 ? True False False True 0 0 True -1 False False -1 229 -22.645 -28.443 -9.385 1 ATOM C CB . GLN A 1 29 . 29 GLN A CB 231 103.81 1.0 ? True False False True 0 -1 False -1 False False -1 230 -19.56 -27.521 -10.109 1 ATOM C CG . GLN A 1 29 . 29 GLN A CG 232 111.56 1.0 ? True False False True 0 -1 False -1 False False -1 231 -18.059 -27.722 -10.012 1 ATOM C CD . GLN A 1 29 . 29 GLN A CD 233 118.82 1.0 ? True False False True 0 -1 False -1 False False -1 232 -17.658 -29.166 -10.251 1 ATOM O OE1 . GLN A 1 29 . 29 GLN A OE1 234 114.04 1.0 ? True False False True 0 -1 False -1 False False -1 233 -18.423 -29.949 -10.82 1 ATOM N NE2 . GLN A 1 29 . 29 GLN A NE2 235 127.59 1.0 ? True False False True 0 -1 False -1 False False -1 234 -16.457 -29.528 -9.814 1 ATOM N N . LEU A 1 30 . 30 LEU A N 236 92.44 1.0 ? True False False True 0 0 True -1 False False -1 235 -22.06 -26.402 -8.627 1 ATOM C CA . LEU A 1 30 . 30 LEU A CA 237 82.73 1.0 ? True False False True 0 0 True -1 False False -1 236 -23.417 -25.89 -8.606 1 ATOM C C . LEU A 1 30 . 30 LEU A C 238 83.42 1.0 ? True False False True 0 0 True -1 False False -1 237 -24.037 -25.85 -10.002 1 ATOM O O . LEU A 1 30 . 30 LEU A O 239 86.08 1.0 ? True False False True 0 0 True -1 False False -1 238 -23.482 -25.263 -10.93 1 ATOM C CB . LEU A 1 30 . 30 LEU A CB 240 78.78 1.0 ? True False False True 0 -1 False -1 False False -1 239 -23.428 -24.504 -7.984 1 ATOM C CG . LEU A 1 30 . 30 LEU A CG 241 76.03 1.0 ? True False False True 0 -1 False -1 False False -1 240 -24.794 -24.003 -7.532 1 ATOM C CD1 . LEU A 1 30 . 30 LEU A CD1 242 69.95 1.0 ? True False False True 0 -1 False -1 False False -1 241 -25.497 -25.053 -6.689 1 ATOM C CD2 . LEU A 1 30 . 30 LEU A CD2 243 77.02 1.0 ? True False False True 0 -1 False -1 False False -1 242 -24.61 -22.72 -6.747 1 ATOM N N . ASP A 1 31 . 31 ASP A N 244 85.02 1.0 ? True False False True 0 0 True -1 False False -1 243 -25.187 -26.5 -10.136 1 ATOM C CA . ASP A 1 31 . 31 ASP A CA 245 83.86 1.0 ? True False False True 0 0 True -1 False False -1 244 -25.972 -26.456 -11.359 1 ATOM C C . ASP A 1 31 . 31 ASP A C 246 81.59 1.0 ? True False False True 0 0 True -1 False False -1 245 -27.081 -25.433 -11.173 1 ATOM O O . ASP A 1 31 . 31 ASP A O 247 81.44 1.0 ? True False False True 0 0 True -1 False False -1 246 -28.147 -25.755 -10.648 1 ATOM C CB . ASP A 1 31 . 31 ASP A CB 248 85.12 1.0 ? True False False True 0 -1 False -1 False False -1 247 -26.569 -27.83 -11.644 1 ATOM C CG . ASP A 1 31 . 31 ASP A CG 249 97.27 1.0 ? True False False True 0 -1 False -1 False False -1 248 -27.509 -27.83 -12.84 1 ATOM O OD1 . ASP A 1 31 . 31 ASP A OD1 250 96.11 1.0 ? True False False True 0 -1 False -1 False False -1 249 -28.221 -28.839 -13.035 1 ATOM O OD2 . ASP A 1 31 . 31 ASP A OD2 251 109.2 1.0 ? True False False True 0 -1 False -1 False False -1 250 -27.542 -26.829 -13.586 1 ATOM N N . LEU A 1 32 . 32 LEU A N 252 80.79 1.0 ? True False False True 0 0 True -1 False False -1 251 -26.829 -24.204 -11.616 1 ATOM C CA . LEU A 1 32 . 32 LEU A CA 253 76.61 1.0 ? True False False True 0 0 True -1 False False -1 252 -27.74 -23.091 -11.373 1 ATOM C C . LEU A 1 32 . 32 LEU A C 254 75.29 1.0 ? True False False True 0 0 True -1 False False -1 253 -29.127 -23.275 -11.987 1 ATOM O O . LEU A 1 32 . 32 LEU A O 255 75.77 1.0 ? True False False True 0 0 True -1 False False -1 254 -30.129 -22.853 -11.407 1 ATOM C CB . LEU A 1 32 . 32 LEU A CB 256 78.79 1.0 ? True False False True 0 -1 False -1 False False -1 255 -27.117 -21.784 -11.863 1 ATOM C CG . LEU A 1 32 . 32 LEU A CG 257 81.56 1.0 ? True False False True 0 -1 False -1 False False -1 256 -25.899 -21.35 -11.055 1 ATOM C CD1 . LEU A 1 32 . 32 LEU A CD1 258 85.99 1.0 ? True False False True 0 -1 False -1 False False -1 257 -25.318 -20.044 -11.587 1 ATOM C CD2 . LEU A 1 32 . 32 LEU A CD2 259 82.64 1.0 ? True False False True 0 -1 False -1 False False -1 258 -26.297 -21.215 -9.6 1 ATOM N N . ALA A 1 33 . 33 ALA A N 260 76.91 1.0 ? True False False True 0 0 True -1 False False -1 259 -29.192 -23.916 -13.148 1 ATOM C CA . ALA A 1 33 . 33 ALA A CA 261 73.97 1.0 ? True False False True 0 0 True -1 False False -1 260 -30.46 -24.032 -13.849 1 ATOM C C . ALA A 1 33 . 33 ALA A C 262 74.99 1.0 ? True False False True 0 0 True -1 False False -1 261 -31.427 -24.999 -13.159 1 ATOM O O . ALA A 1 33 . 33 ALA A O 263 74.96 1.0 ? True False False True 0 0 True -1 False False -1 262 -32.622 -25.004 -13.447 1 ATOM C CB . ALA A 1 33 . 33 ALA A CB 264 73.03 1.0 ? True False False True 0 -1 False -1 False False -1 263 -30.234 -24.426 -15.288 1 ATOM N N . ALA A 1 34 . 34 ALA A N 265 72.9 1.0 ? True False False True 0 0 True -1 False False -1 264 -30.914 -25.808 -12.241 1 ATOM C CA . ALA A 1 34 . 34 ALA A CA 266 72.12 1.0 ? True False False True 0 0 True -1 False False -1 265 -31.758 -26.769 -11.539 1 ATOM C C . ALA A 1 34 . 34 ALA A C 267 72.16 1.0 ? True False False True 0 0 True -1 False False -1 266 -32.096 -26.317 -10.123 1 ATOM O O . ALA A 1 34 . 34 ALA A O 268 80.18 1.0 ? True False False True 0 0 True -1 False False -1 267 -32.818 -27.007 -9.403 1 ATOM C CB . ALA A 1 34 . 34 ALA A CB 269 63.27 1.0 ? True False False True 0 -1 False -1 False False -1 268 -31.096 -28.136 -11.515 1 ATOM N N . LEU A 1 35 . 35 LEU A N 270 66.69 1.0 ? True False False True 0 0 True -1 False False -1 269 -31.58 -25.156 -9.723 1 ATOM C CA . LEU A 1 35 . 35 LEU A CA 271 57.58 1.0 ? True False False True 0 0 True -1 False False -1 270 -31.721 -24.698 -8.354 1 ATOM C C . LEU A 1 35 . 35 LEU A C 272 72.96 1.0 ? True False False True 0 0 True -1 False False -1 271 -32.842 -23.681 -8.2 1 ATOM O O . LEU A 1 35 . 35 LEU A O 273 75.73 1.0 ? True False False True 0 0 True -1 False False -1 272 -32.986 -22.77 -9.019 1 ATOM C CB . LEU A 1 35 . 35 LEU A CB 274 64.12 1.0 ? True False False True 0 -1 False -1 False False -1 273 -30.415 -24.038 -7.882 1 ATOM C CG . LEU A 1 35 . 35 LEU A CG 275 66.09 1.0 ? True False False True 0 -1 False -1 False False -1 274 -30.466 -23.289 -6.548 1 ATOM C CD1 . LEU A 1 35 . 35 LEU A CD1 276 64.88 1.0 ? True False False True 0 -1 False -1 False False -1 275 -30.625 -24.251 -5.373 1 ATOM C CD2 . LEU A 1 35 . 35 LEU A CD2 277 69.24 1.0 ? True False False True 0 -1 False -1 False False -1 276 -29.255 -22.38 -6.351 1 ATOM N N . ILE A 1 36 . 36 ILE A N 278 66.72 1.0 ? True False False True 0 0 True -1 False False -1 277 -33.624 -23.82 -7.134 1 ATOM C CA . ILE A 1 36 . 36 ILE A CA 279 57.4 1.0 ? True False False True 0 0 True -1 False False -1 278 -34.527 -22.755 -6.724 1 ATOM C C . ILE A 1 36 . 36 ILE A C 280 61.61 1.0 ? True False False True 0 0 True -1 False False -1 279 -34.273 -22.445 -5.266 1 ATOM O O . ILE A 1 36 . 36 ILE A O 281 60.52 1.0 ? True False False True 0 0 True -1 False False -1 280 -34.202 -23.351 -4.421 1 ATOM C CB . ILE A 1 36 . 36 ILE A CB 282 61.86 1.0 ? True False False True 0 -1 False -1 False False -1 281 -36.001 -23.145 -6.836 1 ATOM C CG1 . ILE A 1 36 . 36 ILE A CG1 283 65.29 1.0 ? True False False True 0 -1 False -1 False False -1 282 -36.324 -23.746 -8.199 1 ATOM C CG2 . ILE A 1 36 . 36 ILE A CG2 284 64.1 1.0 ? True False False True 0 -1 False -1 False False -1 283 -36.889 -21.947 -6.53 1 ATOM C CD1 . ILE A 1 36 . 36 ILE A CD1 285 68.29 1.0 ? True False False True 0 -1 False -1 False False -1 284 -37.757 -24.215 -8.294 1 ATOM N N . VAL A 1 37 . 37 VAL A N 286 51.91 1.0 ? True False False True 0 0 True -1 False False -1 285 -34.136 -21.161 -4.963 1 ATOM C CA . VAL A 1 37 . 37 VAL A CA 287 52.73 1.0 ? True False False True 0 0 True -1 False False -1 286 -34.024 -20.744 -3.594 1 ATOM C C . VAL A 1 37 . 37 VAL A C 288 65.6 1.0 ? True False False True 0 0 True -1 False False -1 287 -35.109 -19.706 -3.383 1 ATOM O O . VAL A 1 37 . 37 VAL A O 289 62.6 1.0 ? True False False True 0 0 True -1 False False -1 288 -35.351 -18.853 -4.244 1 ATOM C CB . VAL A 1 37 . 37 VAL A CB 290 55.27 1.0 ? True False False True 0 -1 False -1 False False -1 289 -32.629 -20.179 -3.304 1 ATOM C CG1 . VAL A 1 37 . 37 VAL A CG1 291 56.52 1.0 ? True False False True 0 -1 False -1 False False -1 290 -32.57 -19.553 -1.925 1 ATOM C CG2 . VAL A 1 37 . 37 VAL A CG2 292 58.32 1.0 ? True False False True 0 -1 False -1 False False -1 291 -31.575 -21.27 -3.469 1 ATOM N N . TYR A 1 38 . 38 TYR A N 293 53.41 1.0 ? True False False True 0 0 True -1 False False -1 292 -35.79 -19.807 -2.25 1 ATOM C CA . TYR A 1 38 . 38 TYR A CA 294 54.7 1.0 ? True False False True 0 0 True -1 False False -1 293 -36.928 -18.956 -1.972 1 ATOM C C . TYR A 1 38 . 38 TYR A C 295 59.89 1.0 ? True False False True 0 0 True -1 False False -1 294 -36.85 -18.601 -0.504 1 ATOM O O . TYR A 1 38 . 38 TYR A O 296 60.73 1.0 ? True False False True 0 0 True -1 False False -1 295 -36.61 -19.468 0.337 1 ATOM C CB . TYR A 1 38 . 38 TYR A CB 297 52.58 1.0 ? True False False True 0 -1 False -1 False False -1 296 -38.225 -19.715 -2.281 1 ATOM C CG . TYR A 1 38 . 38 TYR A CG 298 58.66 1.0 ? True False False True 0 -1 False -1 False False -1 297 -39.484 -18.867 -2.293 1 ATOM C CD1 . TYR A 1 38 . 38 TYR A CD1 299 58.53 1.0 ? True False False True 0 -1 False -1 False False -1 298 -39.983 -18.339 -3.482 1 ATOM C CD2 . TYR A 1 38 . 38 TYR A CD2 300 62.43 1.0 ? True False False True 0 -1 False -1 False False -1 299 -40.182 -18.6 -1.113 1 ATOM C CE1 . TYR A 1 38 . 38 TYR A CE1 301 59.89 1.0 ? True False False True 0 -1 False -1 False False -1 300 -41.149 -17.565 -3.497 1 ATOM C CE2 . TYR A 1 38 . 38 TYR A CE2 302 66.43 1.0 ? True False False True 0 -1 False -1 False False -1 301 -41.346 -17.829 -1.117 1 ATOM C CZ . TYR A 1 38 . 38 TYR A CZ 303 65.94 1.0 ? True True False True 0 -1 False -1 False False -1 302 -41.826 -17.319 -2.311 1 ATOM O OH . TYR A 1 38 . 38 TYR A OH 304 69.6 1.0 ? True False False True 0 -1 False -1 False False -1 303 -42.975 -16.554 -2.312 1 ATOM N N . TRP A 1 39 . 39 TRP A N 305 54.03 1.0 ? True False False True 0 0 True -1 False False -1 304 -37.016 -17.322 -0.196 1 ATOM C CA . TRP A 1 39 . 39 TRP A CA 306 53.67 1.0 ? True False False True 0 0 True -1 False False -1 305 -37.032 -16.86 1.174 1 ATOM C C . TRP A 1 39 . 39 TRP A C 307 61.62 1.0 ? True False False True 0 0 True -1 False False -1 306 -38.29 -16.038 1.365 1 ATOM O O . TRP A 1 39 . 39 TRP A O 308 59.99 1.0 ? True False False True 0 0 True -1 False False -1 307 -38.7 -15.295 0.467 1 ATOM C CB . TRP A 1 39 . 39 TRP A CB 309 58.19 1.0 ? True False False True 0 -1 False -1 False False -1 308 -35.826 -15.984 1.464 1 ATOM C CG . TRP A 1 39 . 39 TRP A CG 310 55.97 1.0 ? True False False True 0 -1 False -1 False False -1 309 -34.555 -16.709 1.758 1 ATOM C CD1 . TRP A 1 39 . 39 TRP A CD1 311 50.92 1.0 ? True False False True 0 -1 False -1 False False -1 310 -33.547 -16.983 0.882 1 ATOM C CD2 . TRP A 1 39 . 39 TRP A CD2 312 55.76 1.0 ? True False False True 0 -1 False -1 False False -1 311 -34.121 -17.193 3.036 1 ATOM N NE1 . TRP A 1 39 . 39 TRP A NE1 313 53.2 1.0 ? True False False True 0 -1 False -1 False False -1 312 -32.516 -17.623 1.533 1 ATOM C CE2 . TRP A 1 39 . 39 TRP A CE2 314 54.36 1.0 ? True False False True 0 -1 False -1 False False -1 313 -32.846 -17.764 2.855 1 ATOM C CE3 . TRP A 1 39 . 39 TRP A CE3 315 59.96 1.0 ? True False False True 0 -1 False -1 False False -1 314 -34.691 -17.201 4.316 1 ATOM C CZ2 . TRP A 1 39 . 39 TRP A CZ2 316 58.51 1.0 ? True False False True 0 -1 False -1 False False -1 315 -32.135 -18.347 3.898 1 ATOM C CZ3 . TRP A 1 39 . 39 TRP A CZ3 317 65.67 1.0 ? True False False True 0 -1 False -1 False False -1 316 -33.982 -17.776 5.353 1 ATOM C CH2 . TRP A 1 39 . 39 TRP A CH2 318 66.67 1.0 ? True False False True 0 -1 False -1 False False -1 317 -32.718 -18.345 5.138 1 ATOM N N . GLU A 1 40 . 40 GLU A N 319 52.83 1.0 ? True False False True 0 0 True -1 False False -1 318 -38.878 -16.153 2.546 1 ATOM C CA . GLU A 1 40 . 40 GLU A CA 320 56.05 1.0 ? True False False True 0 0 True -1 False False -1 319 -40.205 -15.638 2.809 1 ATOM C C . GLU A 1 40 . 40 GLU A C 321 62.91 1.0 ? True False False True 0 0 True -1 False False -1 320 -40.283 -15.275 4.284 1 ATOM O O . GLU A 1 40 . 40 GLU A O 322 58.42 1.0 ? True False False True 0 0 True -1 False False -1 321 -39.589 -15.869 5.107 1 ATOM C CB . GLU A 1 40 . 40 GLU A CB 323 68.62 1.0 ? True False False True 0 -1 False -1 False False -1 322 -41.207 -16.748 2.51 1 ATOM C CG . GLU A 1 40 . 40 GLU A CG 324 81.95 1.0 ? True False False True 0 -1 False -1 False False -1 323 -42.658 -16.392 2.713 1 ATOM C CD . GLU A 1 40 . 40 GLU A CD 325 82.79 1.0 ? True False False True 0 -1 False -1 False False -1 324 -43.566 -17.528 2.316 1 ATOM O OE1 . GLU A 1 40 . 40 GLU A OE1 326 84.97 1.0 ? True False False True 0 -1 False -1 False False -1 325 -43.081 -18.673 2.305 1 ATOM O OE2 . GLU A 1 40 . 40 GLU A OE2 327 86.93 1.0 ? True False False True 0 -1 False -1 False False -1 326 -44.751 -17.283 2.001 1 ATOM N N . MET A 1 41 . 41 MET A N 328 60.03 0.5 ? True False False True 0 0 True -1 False False -1 327 -41.09 -14.278 4.617 1 ATOM C CA . MET A 1 41 . 41 MET A CA 329 62.35 0.5 ? True False False True 0 0 True -1 False False -1 328 -41.454 -14.075 6.009 1 ATOM C C . MET A 1 41 . 41 MET A C 330 67.13 0.5 ? True False False True 0 0 True -1 False False -1 329 -42.835 -13.456 6.081 1 ATOM O O . MET A 1 41 . 41 MET A O 331 69.87 0.5 ? True False False True 0 0 True -1 False False -1 330 -43.158 -12.526 5.336 1 ATOM C CB . MET A 1 41 . 41 MET A CB 332 57.73 0.5 ? True False False True 0 -1 False -1 False False -1 331 -40.418 -13.237 6.763 1 ATOM C CG . MET A 1 41 . 41 MET A CG 333 58.33 0.5 ? True False False True 0 -1 False -1 False False -1 332 -40.592 -11.749 6.613 1 ATOM S SD . MET A 1 41 . 41 MET A SD 334 102.38 0.5 ? True False False True 0 -1 False -1 False False -1 333 -39.963 -10.819 8.018 1 ATOM C CE . MET A 1 41 . 41 MET A CE 335 48.55 0.5 ? True False False True 0 -1 False -1 False False -1 334 -40.727 -11.734 9.353 1 ATOM N N . GLU A 1 42 . 42 GLU A N 336 66.89 1.0 ? True False False True 0 0 True -1 False False -1 335 -43.656 -14.012 6.963 1 ATOM C CA . GLU A 1 42 . 42 GLU A CA 337 66.92 1.0 ? True False False True 0 0 True -1 False False -1 336 -45.046 -13.593 7.115 1 ATOM C C . GLU A 1 42 . 42 GLU A C 338 70.82 1.0 ? True False False True 0 0 True -1 False False -1 337 -45.741 -13.489 5.754 1 ATOM O O . GLU A 1 42 . 42 GLU A O 339 74.17 1.0 ? True False False True 0 0 True -1 False False -1 338 -46.524 -12.572 5.506 1 ATOM C CB . GLU A 1 42 . 42 GLU A CB 340 69.68 1.0 ? True False False True 0 -1 False -1 False False -1 339 -45.152 -12.302 7.933 1 ATOM C CG . GLU A 1 42 . 42 GLU A CG 341 70.86 1.0 ? True False False True 0 -1 False -1 False False -1 340 -44.741 -12.495 9.4 1 ATOM C CD . GLU A 1 42 . 42 GLU A CD 342 76.85 1.0 ? True False False True 0 -1 False -1 False False -1 341 -44.721 -11.202 10.202 1 ATOM O OE1 . GLU A 1 42 . 42 GLU A OE1 343 73.52 1.0 ? True False False True 0 -1 False -1 False False -1 342 -45.01 -10.122 9.638 1 ATOM O OE2 . GLU A 1 42 . 42 GLU A OE2 344 82.05 1.0 ? True False False True 0 -1 False -1 False False -1 343 -44.412 -11.27 11.41 1 ATOM N N . ASP A 1 43 . 43 ASP A N 345 62.45 1.0 ? True False False True 0 0 True -1 False False -1 344 -45.402 -14.434 4.878 1 ATOM C CA . ASP A 1 43 . 43 ASP A CA 346 65.08 1.0 ? True False False True 0 0 True -1 False False -1 345 -45.998 -14.566 3.548 1 ATOM C C . ASP A 1 43 . 43 ASP A C 347 71.6 1.0 ? True False False True 0 0 True -1 False False -1 346 -45.673 -13.418 2.581 1 ATOM O O . ASP A 1 43 . 43 ASP A O 348 77.18 1.0 ? True False False True 0 0 True -1 False False -1 347 -46.327 -13.241 1.555 1 ATOM C CB . ASP A 1 43 . 43 ASP A CB 349 70.13 1.0 ? True False False True 0 -1 False -1 False False -1 348 -47.501 -14.831 3.652 1 ATOM C CG . ASP A 1 43 . 43 ASP A CG 350 85.1 1.0 ? True False False True 0 -1 False -1 False False -1 349 -47.811 -16.101 4.432 1 ATOM O OD1 . ASP A 1 43 . 43 ASP A OD1 351 92.83 1.0 ? True False False True 0 -1 False -1 False False -1 350 -46.866 -16.881 4.697 1 ATOM O OD2 . ASP A 1 43 . 43 ASP A OD2 352 89.25 1.0 ? True False False True 0 -1 False -1 False False -1 351 -48.993 -16.324 4.774 1 ATOM N N . LYS A 1 44 . 44 LYS A N 353 67.13 1.0 ? True False False True 0 0 True -1 False False -1 352 -44.638 -12.656 2.912 1 ATOM C CA . LYS A 1 44 . 44 LYS A CA 354 57.7 1.0 ? True False False True 0 0 True -1 False False -1 353 -44.091 -11.667 1.999 1 ATOM C C . LYS A 1 44 . 44 LYS A C 355 56.48 1.0 ? True False False True 0 0 True -1 False False -1 354 -42.846 -12.254 1.347 1 ATOM O O . LYS A 1 44 . 44 LYS A O 356 50.16 1.0 ? True False False True 0 0 True -1 False False -1 355 -41.912 -12.653 2.044 1 ATOM C CB . LYS A 1 44 . 44 LYS A CB 357 56.63 1.0 ? True False False True 0 -1 False -1 False False -1 356 -43.701 -10.413 2.777 1 ATOM C CG . LYS A 1 44 . 44 LYS A CG 358 68.19 1.0 ? True False False True 0 -1 False -1 False False -1 357 -44.847 -9.791 3.554 1 ATOM C CD . LYS A 1 44 . 44 LYS A CD 359 70.77 1.0 ? True False False True 0 -1 False -1 False False -1 358 -44.37 -8.638 4.436 1 ATOM C CE . LYS A 1 44 . 44 LYS A CE 360 73.27 1.0 ? True False False True 0 -1 False -1 False False -1 359 -43.429 -9.136 5.546 1 ATOM N NZ . LYS A 1 44 . 44 LYS A NZ 361 76.63 1.0 +1 True False False True 0 -1 False -1 False False -1 360 -43.17 -8.092 6.586 1 ATOM N N . ASN A 1 45 . 45 ASN A N 362 56.05 1.0 ? True False False True 0 0 True -1 False False -1 361 -42.818 -12.308 0.021 1 ATOM C CA . ASN A 1 45 . 45 ASN A CA 363 57.07 1.0 ? True False False True 0 0 True -1 False False -1 362 -41.604 -12.733 -0.662 1 ATOM C C . ASN A 1 45 . 45 ASN A C 364 66.15 1.0 ? True False False True 0 0 True -1 False False -1 363 -40.437 -11.813 -0.381 1 ATOM O O . ASN A 1 45 . 45 ASN A O 365 68.75 1.0 ? True False False True 0 0 True -1 False False -1 364 -40.555 -10.592 -0.497 1 ATOM C CB . ASN A 1 45 . 45 ASN A CB 366 63.46 1.0 ? True False False True 0 -1 False -1 False False -1 365 -41.793 -12.805 -2.17 1 ATOM C CG . ASN A 1 45 . 45 ASN A CG 367 72.26 1.0 ? True False False True 0 -1 False -1 False False -1 366 -40.54 -13.299 -2.878 1 ATOM O OD1 . ASN A 1 45 . 45 ASN A OD1 368 68.66 1.0 ? True False False True 0 -1 False -1 False False -1 367 -39.798 -12.523 -3.484 1 ATOM N ND2 . ASN A 1 45 . 45 ASN A ND2 369 73.68 1.0 ? True False False True 0 -1 False -1 False False -1 368 -40.286 -14.6 -2.778 1 ATOM N N . ILE A 1 46 . 46 ILE A N 370 58.6 1.0 ? True False False True 0 0 True -1 False False -1 369 -39.309 -12.409 -0.016 1 ATOM C CA . ILE A 1 46 . 46 ILE A CA 371 54.42 1.0 ? True False False True 0 0 True -1 False False -1 370 -38.068 -11.67 0.158 1 ATOM C C . ILE A 1 46 . 46 ILE A C 372 63.88 1.0 ? True False False True 0 0 True -1 False False -1 371 -37.152 -11.916 -1.046 1 ATOM O O . ILE A 1 46 . 46 ILE A O 373 63.51 1.0 ? True False False True 0 0 True -1 False False -1 372 -36.671 -10.979 -1.69 1 ATOM C CB . ILE A 1 46 . 46 ILE A CB 374 50.92 1.0 ? True False False True 0 -1 False -1 False False -1 373 -37.373 -12.064 1.477 1 ATOM C CG1 . ILE A 1 46 . 46 ILE A CG1 375 58.77 1.0 ? True False False True 0 -1 False -1 False False -1 374 -38.364 -11.923 2.63 1 ATOM C CG2 . ILE A 1 46 . 46 ILE A CG2 376 50.59 1.0 ? True False False True 0 -1 False -1 False False -1 375 -36.156 -11.193 1.728 1 ATOM C CD1 . ILE A 1 46 . 46 ILE A CD1 377 54.05 1.0 ? True False False True 0 -1 False -1 False False -1 376 -37.838 -12.377 3.982 1 ATOM N N . ILE A 1 47 . 47 ILE A N 378 62.86 1.0 ? True False False True 0 0 True -1 False False -1 377 -36.959 -13.185 -1.376 1 ATOM C CA . ILE A 1 47 . 47 ILE A CA 379 62.82 1.0 ? True False False True 0 0 True -1 False False -1 378 -36.056 -13.567 -2.444 1 ATOM C C . ILE A 1 47 . 47 ILE A C 380 65.61 1.0 ? True False False True 0 0 True -1 False False -1 379 -36.59 -14.771 -3.201 1 ATOM O O . ILE A 1 47 . 47 ILE A O 381 74.47 1.0 ? True False False True 0 0 True -1 False False -1 380 -37.014 -15.754 -2.594 1 ATOM C CB . ILE A 1 47 . 47 ILE A CB 382 69.05 1.0 ? True False False True 0 -1 False -1 False False -1 381 -34.674 -13.927 -1.874 1 ATOM C CG1 . ILE A 1 47 . 47 ILE A CG1 383 71.18 1.0 ? True False False True 0 -1 False -1 False False -1 382 -33.843 -12.662 -1.693 1 ATOM C CG2 . ILE A 1 47 . 47 ILE A CG2 384 72.77 1.0 ? True False False True 0 -1 False -1 False False -1 383 -33.941 -14.886 -2.799 1 ATOM C CD1 . ILE A 1 47 . 47 ILE A CD1 385 77.78 1.0 ? True False False True 0 -1 False -1 False False -1 384 -33.744 -11.834 -2.954 1 ATOM N N . GLN A 1 48 . 48 GLN A N 386 55.04 1.0 ? True False False True 0 0 True -1 False False -1 385 -36.592 -14.684 -4.527 1 ATOM C CA . GLN A 1 48 . 48 GLN A CA 387 52.35 1.0 ? True False False True 0 0 True -1 False False -1 386 -36.828 -15.858 -5.349 1 ATOM C C . GLN A 1 48 . 48 GLN A C 388 65.73 1.0 ? True False False True 0 0 True -1 False False -1 387 -35.702 -16.024 -6.361 1 ATOM O O . GLN A 1 48 . 48 GLN A O 389 69.79 1.0 ? True False False True 0 0 True -1 False False -1 388 -35.549 -15.216 -7.282 1 ATOM C CB . GLN A 1 48 . 48 GLN A CB 390 58.96 1.0 ? True False False True 0 -1 False -1 False False -1 389 -38.181 -15.786 -6.043 1 ATOM C CG . GLN A 1 48 . 48 GLN A CG 391 66.74 1.0 ? True False False True 0 -1 False -1 False False -1 390 -38.384 -16.895 -7.075 1 ATOM C CD . GLN A 1 48 . 48 GLN A CD 392 77.78 1.0 ? True False False True 0 -1 False -1 False False -1 391 -39.819 -16.997 -7.558 1 ATOM O OE1 . GLN A 1 48 . 48 GLN A OE1 393 81.65 1.0 ? True False False True 0 -1 False -1 False False -1 392 -40.627 -17.727 -6.977 1 ATOM N NE2 . GLN A 1 48 . 48 GLN A NE2 394 74.32 1.0 ? True False False True 0 -1 False -1 False False -1 393 -40.143 -16.273 -8.631 1 ATOM N N . PHE A 1 49 . 49 PHE A N 395 65.84 1.0 ? True False False True 0 0 True -1 False False -1 394 -34.916 -17.082 -6.191 1 ATOM C CA . PHE A 1 49 . 49 PHE A CA 396 65.85 1.0 ? True False False True 0 0 True -1 False False -1 395 -33.71 -17.249 -6.986 1 ATOM C C . PHE A 1 49 . 49 PHE A C 397 59.76 1.0 ? True False False True 0 0 True -1 False False -1 396 -33.852 -18.434 -7.904 1 ATOM O O . PHE A 1 49 . 49 PHE A O 398 62.06 1.0 ? True False False True 0 0 True -1 False False -1 397 -33.886 -19.583 -7.452 1 ATOM C CB . PHE A 1 49 . 49 PHE A CB 399 67.69 1.0 ? True False False True 0 -1 False -1 False False -1 398 -32.502 -17.418 -6.069 1 ATOM C CG . PHE A 1 49 . 49 PHE A CG 400 66.65 1.0 ? True False False True 0 -1 False -1 False False -1 399 -31.179 -17.333 -6.775 1 ATOM C CD1 . PHE A 1 49 . 49 PHE A CD1 401 70.2 1.0 ? True False False True 0 -1 False -1 False False -1 400 -30.563 -16.102 -6.975 1 ATOM C CD2 . PHE A 1 49 . 49 PHE A CD2 402 67.84 1.0 ? True False False True 0 -1 False -1 False False -1 401 -30.537 -18.479 -7.213 1 ATOM C CE1 . PHE A 1 49 . 49 PHE A CE1 403 71.56 1.0 ? True False False True 0 -1 False -1 False False -1 402 -29.339 -16.016 -7.61 1 ATOM C CE2 . PHE A 1 49 . 49 PHE A CE2 404 75.07 1.0 ? True False False True 0 -1 False -1 False False -1 403 -29.31 -18.4 -7.851 1 ATOM C CZ . PHE A 1 49 . 49 PHE A CZ 405 74.91 1.0 ? True False False True 0 -1 False -1 False False -1 404 -28.709 -17.169 -8.046 1 ATOM N N . VAL A 1 50 . 50 VAL A N 406 56.2 1.0 ? True False False True 0 0 True -1 False False -1 405 -33.949 -18.154 -9.199 1 ATOM C CA . VAL A 1 50 . 50 VAL A CA 407 68.06 1.0 ? True False False True 0 0 True -1 False False -1 406 -34.175 -19.19 -10.191 1 ATOM C C . VAL A 1 50 . 50 VAL A C 408 78.07 1.0 ? True False False True 0 0 True -1 False False -1 407 -33.364 -18.859 -11.447 1 ATOM O O . VAL A 1 50 . 50 VAL A O 409 76.76 1.0 ? True False False True 0 0 True -1 False False -1 408 -33.215 -17.681 -11.811 1 ATOM C CB . VAL A 1 50 . 50 VAL A CB 410 64.87 1.0 ? True False False True 0 -1 False -1 False False -1 409 -35.685 -19.333 -10.522 1 ATOM C CG1 . VAL A 1 50 . 50 VAL A CG1 411 67.37 1.0 ? True False False True 0 -1 False -1 False False -1 410 -36.25 -18.027 -11.07 1 ATOM C CG2 . VAL A 1 50 . 50 VAL A CG2 412 71.18 1.0 ? True False False True 0 -1 False -1 False False -1 411 -35.91 -20.432 -11.516 1 ATOM N N . HIS A 1 51 . 51 HIS A N 413 77.2 1.0 ? True False False True 0 0 True -1 False False -1 412 -32.825 -19.898 -12.083 1 ATOM C CA . HIS A 1 51 . 51 HIS A CA 414 81.5 1.0 ? True False False True 0 0 True -1 False False -1 413 -31.951 -19.744 -13.246 1 ATOM C C . HIS A 1 51 . 51 HIS A C 415 78.12 1.0 ? True False False True 0 0 True -1 False False -1 414 -30.797 -18.788 -12.953 1 ATOM O O . HIS A 1 51 . 51 HIS A O 416 81.95 1.0 ? True False False True 0 0 True -1 False False -1 415 -30.511 -17.882 -13.734 1 ATOM C CB . HIS A 1 51 . 51 HIS A CB 417 79.3 1.0 ? True False False True 0 -1 False -1 False False -1 416 -32.736 -19.264 -14.469 1 ATOM C CG . HIS A 1 51 . 51 HIS A CG 418 73.07 1.0 ? True False False True 0 -1 False -1 False False -1 417 -33.513 -20.346 -15.155 1 ATOM N ND1 . HIS A 1 51 . 51 HIS A ND1 419 82.96 1.0 +1 True False False True 0 -1 False -1 False False -1 418 -33.021 -21.622 -15.328 1 ATOM C CD2 . HIS A 1 51 . 51 HIS A CD2 420 73.42 1.0 ? True False False True 0 -1 False -1 False False -1 419 -34.747 -20.34 -15.711 1 ATOM C CE1 . HIS A 1 51 . 51 HIS A CE1 421 88.75 1.0 ? True False False True 0 -1 False -1 False False -1 420 -33.917 -22.355 -15.966 1 ATOM N NE2 . HIS A 1 51 . 51 HIS A NE2 422 88.54 1.0 ? True False False True 0 -1 False -1 False False -1 421 -34.973 -21.601 -16.213 1 ATOM N N . GLY A 1 52 . 52 GLY A N 423 73.86 1.0 ? True False False True 0 0 True -1 False False -1 422 -30.16 -18.986 -11.805 1 ATOM C CA . GLY A 1 52 . 52 GLY A CA 424 68.95 1.0 ? True False False True 0 0 True -1 False False -1 423 -28.979 -18.226 -11.438 1 ATOM C C . GLY A 1 52 . 52 GLY A C 425 75.2 1.0 ? True False False True 0 0 True -1 False False -1 424 -29.191 -16.756 -11.149 1 ATOM O O . GLY A 1 52 . 52 GLY A O 426 82.59 1.0 ? True False False True 0 0 True -1 False False -1 425 -28.224 -16.01 -11.007 1 ATOM N N . GLU A 1 53 . 53 GLU A N 427 74.97 1.0 ? True False False True 0 0 True -1 False False -1 426 -30.441 -16.324 -11.034 1 ATOM C CA . GLU A 1 53 . 53 GLU A CA 428 73.6 1.0 ? True False False True 0 0 True -1 False False -1 427 -30.696 -14.909 -10.777 1 ATOM C C . GLU A 1 53 . 53 GLU A C 429 75.0 1.0 ? True False False True 0 0 True -1 False False -1 428 -31.826 -14.675 -9.796 1 ATOM O O . GLU A 1 53 . 53 GLU A O 430 77.01 1.0 ? True False False True 0 0 True -1 False False -1 429 -32.643 -15.566 -9.554 1 ATOM C CB . GLU A 1 53 . 53 GLU A CB 431 85.03 1.0 ? True False False True 0 -1 False -1 False False -1 430 -31.049 -14.181 -12.07 1 ATOM C CG . GLU A 1 53 . 53 GLU A CG 432 91.91 1.0 ? True False False True 0 -1 False -1 False False -1 431 -29.95 -14.091 -13.089 1 ATOM C CD . GLU A 1 53 . 53 GLU A CD 433 93.8 1.0 ? True False False True 0 -1 False -1 False False -1 432 -30.252 -13.019 -14.108 1 ATOM O OE1 . GLU A 1 53 . 53 GLU A OE1 434 97.57 1.0 ? True False False True 0 -1 False -1 False False -1 433 -30.174 -13.3 -15.319 1 ATOM O OE2 . GLU A 1 53 . 53 GLU A OE2 435 92.66 1.0 ? True False False True 0 -1 False -1 False False -1 434 -30.586 -11.892 -13.688 1 ATOM N N . GLU A 1 54 . 54 GLU A N 436 68.85 1.0 ? True False False True 0 0 True -1 False False -1 435 -31.872 -13.46 -9.246 1 ATOM C CA . GLU A 1 54 . 54 GLU A CA 437 66.25 1.0 ? True False False True 0 0 True -1 False False -1 436 -32.977 -13.037 -8.393 1 ATOM C C . GLU A 1 54 . 54 GLU A C 438 78.47 1.0 ? True False False True 0 0 True -1 False False -1 437 -34.151 -12.545 -9.241 1 ATOM O O . GLU A 1 54 . 54 GLU A O 439 84.44 1.0 ? True False False True 0 0 True -1 False False -1 438 -33.979 -11.753 -10.175 1 ATOM C CB . GLU A 1 54 . 54 GLU A CB 440 76.19 1.0 ? True False False True 0 -1 False -1 False False -1 439 -32.536 -11.944 -7.418 1 ATOM C CG . GLU A 1 54 . 54 GLU A CG 441 86.5 1.0 ? True False False True 0 -1 False -1 False False -1 440 -31.417 -12.354 -6.476 1 ATOM C CD . GLU A 1 54 . 54 GLU A CD 442 91.9 1.0 ? True False False True 0 -1 False -1 False False -1 441 -31.16 -11.322 -5.39 1 ATOM O OE1 . GLU A 1 54 . 54 GLU A OE1 443 89.03 1.0 ? True False False True 0 -1 False -1 False False -1 442 -30.089 -11.389 -4.744 1 ATOM O OE2 . GLU A 1 54 . 54 GLU A OE2 444 95.53 1.0 ? True False False True 0 -1 False -1 False False -1 443 -32.032 -10.448 -5.186 1 ATOM N N . ASP A 1 55 . 55 ASP A N 445 68.46 1.0 ? True False False True 0 0 True -1 False False -1 444 -35.344 -13.026 -8.904 1 ATOM C CA . ASP A 1 55 . 55 ASP A CA 446 71.26 1.0 ? True False False True 0 0 True -1 False False -1 445 -36.561 -12.738 -9.662 1 ATOM C C . ASP A 1 55 . 55 ASP A C 447 70.21 1.0 ? True False False True 0 0 True -1 False False -1 446 -37.267 -11.585 -8.959 1 ATOM O O . ASP A 1 55 . 55 ASP A O 448 66.88 1.0 ? True False False True 0 0 True -1 False False -1 447 -38.109 -11.804 -8.091 1 ATOM C CB . ASP A 1 55 . 55 ASP A CB 449 82.54 1.0 ? True False False True 0 -1 False -1 False False -1 448 -37.446 -13.997 -9.691 1 ATOM C CG . ASP A 1 55 . 55 ASP A CG 450 98.01 1.0 ? True False False True 0 -1 False -1 False False -1 449 -38.629 -13.88 -10.641 1 ATOM O OD1 . ASP A 1 55 . 55 ASP A OD1 451 100.65 1.0 ? True False False True 0 -1 False -1 False False -1 450 -39.493 -14.787 -10.622 1 ATOM O OD2 . ASP A 1 55 . 55 ASP A OD2 452 107.11 1.0 ? True False False True 0 -1 False -1 False False -1 451 -38.701 -12.894 -11.406 1 ATOM N N . LEU A 1 56 . 56 LEU A N 453 67.54 1.0 ? True False False True 0 0 True -1 False False -1 452 -36.905 -10.353 -9.311 1 ATOM C CA . LEU A 1 56 . 56 LEU A CA 454 73.59 1.0 ? True False False True 0 0 True -1 False False -1 453 -37.305 -9.213 -8.488 1 ATOM C C . LEU A 1 56 . 56 LEU A C 455 76.33 1.0 ? True False False True 0 0 True -1 False False -1 454 -38.785 -8.825 -8.548 1 ATOM O O . LEU A 1 56 . 56 LEU A O 456 88.97 1.0 ? True False False True 0 0 True -1 False False -1 455 -39.317 -8.334 -7.554 1 ATOM C CB . LEU A 1 56 . 56 LEU A CB 457 90.18 1.0 ? True False False True 0 -1 False -1 False False -1 456 -36.415 -7.99 -8.751 1 ATOM C CG . LEU A 1 56 . 56 LEU A CG 458 91.84 1.0 ? True False False True 0 -1 False -1 False False -1 457 -35.057 -7.93 -8.033 1 ATOM C CD1 . LEU A 1 56 . 56 LEU A CD1 459 82.99 1.0 ? True False False True 0 -1 False -1 False False -1 458 -35.202 -8.151 -6.536 1 ATOM C CD2 . LEU A 1 56 . 56 LEU A CD2 460 103.06 1.0 ? True False False True 0 -1 False -1 False False -1 459 -34.067 -8.921 -8.642 1 ATOM N N . LYS A 1 57 . 57 LYS A N 461 78.78 1.0 ? True False False True 0 0 True -1 False False -1 460 -39.447 -9.037 -9.69 1 ATOM C CA . LYS A 1 57 . 57 LYS A CA 462 78.68 1.0 ? True False False True 0 0 True -1 False False -1 461 -40.866 -8.672 -9.813 1 ATOM C C . LYS A 1 57 . 57 LYS A C 463 84.63 1.0 ? True False False True 0 0 True -1 False False -1 462 -41.761 -9.215 -8.674 1 ATOM O O . LYS A 1 57 . 57 LYS A O 464 89.43 1.0 ? True False False True 0 0 True -1 False False -1 463 -42.779 -8.609 -8.334 1 ATOM C CB . LYS A 1 57 . 57 LYS A CB 465 82.34 1.0 ? True False False True 0 -1 False -1 False False -1 464 -41.431 -9.026 -11.197 1 ATOM C CG . LYS A 1 57 . 57 LYS A CG 466 81.25 1.0 ? True False False True 0 -1 False -1 False False -1 465 -40.773 -10.219 -11.899 1 ATOM C CD . LYS A 1 57 . 57 LYS A CD 467 94.06 1.0 ? True False False True 0 -1 False -1 False False -1 466 -41.204 -10.302 -13.363 1 ATOM C CE . LYS A 1 57 . 57 LYS A CE 468 97.62 1.0 ? True False False True 0 -1 False -1 False False -1 467 -40.55 -11.475 -14.092 1 ATOM N NZ . LYS A 1 57 . 57 LYS A NZ 469 91.02 1.0 +1 True False False True 0 -1 False -1 False False -1 468 -40.85 -12.795 -13.452 1 ATOM N N . VAL A 1 58 . 58 VAL A N 470 75.19 1.0 ? True False False True 0 0 True -1 False False -1 469 -41.343 -10.325 -8.065 1 ATOM C CA . VAL A 1 58 . 58 VAL A CA 471 73.39 1.0 ? True False False True 0 0 True -1 False False -1 470 -42.142 -11.044 -7.073 1 ATOM C C . VAL A 1 58 . 58 VAL A C 472 77.28 1.0 ? True False False True 0 0 True -1 False False -1 471 -41.855 -10.568 -5.655 1 ATOM O O . VAL A 1 58 . 58 VAL A O 473 78.01 1.0 ? True False False True 0 0 True -1 False False -1 472 -42.661 -10.765 -4.739 1 ATOM C CB . VAL A 1 58 . 58 VAL A CB 474 79.4 1.0 ? True False False True 0 -1 False -1 False False -1 473 -41.896 -12.581 -7.197 1 ATOM C CG1 . VAL A 1 58 . 58 VAL A CG1 475 77.63 1.0 ? True False False True 0 -1 False -1 False False -1 474 -42.515 -13.364 -6.039 1 ATOM C CG2 . VAL A 1 58 . 58 VAL A CG2 476 77.79 1.0 ? True False False True 0 -1 False -1 False False -1 475 -42.429 -13.079 -8.524 1 ATOM N N . GLN A 1 59 . 59 GLN A N 477 76.54 1.0 ? True False False True 0 0 True -1 False False -1 476 -40.712 -9.906 -5.492 1 ATOM C CA . GLN A 1 59 . 59 GLN A CA 478 67.5 1.0 ? True False False True 0 0 True -1 False False -1 477 -40.259 -9.443 -4.187 1 ATOM C C . GLN A 1 59 . 59 GLN A C 479 68.62 1.0 ? True False False True 0 0 True -1 False False -1 478 -41.146 -8.344 -3.605 1 ATOM O O . GLN A 1 59 . 59 GLN A O 480 69.75 1.0 ? True False False True 0 0 True -1 False False -1 479 -41.436 -7.344 -4.266 1 ATOM C CB . GLN A 1 59 . 59 GLN A CB 481 69.37 1.0 ? True False False True 0 -1 False -1 False False -1 480 -38.812 -8.955 -4.271 1 ATOM C CG . GLN A 1 59 . 59 GLN A CG 482 72.14 1.0 ? True False False True 0 -1 False -1 False False -1 481 -38.296 -8.368 -2.976 1 ATOM C CD . GLN A 1 59 . 59 GLN A CD 483 77.59 1.0 ? True False False True 0 -1 False -1 False False -1 482 -36.881 -7.832 -3.097 1 ATOM O OE1 . GLN A 1 59 . 59 GLN A OE1 484 77.0 1.0 ? True False False True 0 -1 False -1 False False -1 483 -36.643 -6.795 -3.722 1 ATOM N NE2 . GLN A 1 59 . 59 GLN A NE2 485 76.26 1.0 ? True False False True 0 -1 False -1 False False -1 484 -35.931 -8.539 -2.495 1 ATOM N N . HIS A 1 60 . 60 HIS A N 486 63.97 1.0 ? True False False True 0 0 True -1 False False -1 485 -41.57 -8.538 -2.362 1 ATOM C CA . HIS A 1 60 . 60 HIS A CA 487 72.03 1.0 ? True False False True 0 0 True -1 False False -1 486 -42.372 -7.548 -1.666 1 ATOM C C . HIS A 1 60 . 60 HIS A C 488 74.76 1.0 ? True False False True 0 0 True -1 False False -1 487 -41.609 -6.217 -1.61 1 ATOM O O . HIS A 1 60 . 60 HIS A O 489 66.43 1.0 ? True False False True 0 0 True -1 False False -1 488 -40.411 -6.193 -1.321 1 ATOM C CB . HIS A 1 60 . 60 HIS A CB 490 72.6 1.0 ? True False False True 0 -1 False -1 False False -1 489 -42.708 -8.039 -0.255 1 ATOM C CG . HIS A 1 60 . 60 HIS A CG 491 79.71 1.0 ? True False False True 0 -1 False -1 False False -1 490 -43.889 -7.351 0.353 1 ATOM N ND1 . HIS A 1 60 . 60 HIS A ND1 492 78.65 1.0 +1 True False False True 0 -1 False -1 False False -1 491 -43.778 -6.185 1.081 1 ATOM C CD2 . HIS A 1 60 . 60 HIS A CD2 493 81.8 1.0 ? True False False True 0 -1 False -1 False False -1 492 -45.208 -7.651 0.322 1 ATOM C CE1 . HIS A 1 60 . 60 HIS A CE1 494 79.64 1.0 ? True False False True 0 -1 False -1 False False -1 493 -44.977 -5.804 1.481 1 ATOM N NE2 . HIS A 1 60 . 60 HIS A NE2 495 81.88 1.0 ? True False False True 0 -1 False -1 False False -1 494 -45.864 -6.674 1.033 1 ATOM N N . SER A 1 61 . 61 SER A N 496 81.52 1.0 ? True False False True 0 0 True -1 False False -1 495 -42.298 -5.117 -1.904 1 ATOM C CA . SER A 1 61 . 61 SER A CA 497 79.56 1.0 ? True False False True 0 0 True -1 False False -1 496 -41.665 -3.8 -1.928 1 ATOM C C . SER A 1 61 . 61 SER A C 498 77.81 1.0 ? True False False True 0 0 True -1 False False -1 497 -40.943 -3.486 -0.62 1 ATOM O O . SER A 1 61 . 61 SER A O 499 80.04 1.0 ? True False False True 0 0 True -1 False False -1 498 -39.915 -2.815 -0.616 1 ATOM C CB . SER A 1 61 . 61 SER A CB 500 85.15 1.0 ? True False False True 0 -1 False -1 False False -1 499 -42.702 -2.725 -2.234 1 ATOM O OG . SER A 1 61 . 61 SER A OG 501 84.53 1.0 ? True False False True 0 -1 False -1 False False -1 500 -43.806 -2.835 -1.356 1 ATOM N N . SER A 1 62 . 62 SER A N 502 77.25 1.0 ? True False False True 0 0 True -1 False False -1 501 -41.468 -4.009 0.484 1 ATOM C CA . SER A 1 62 . 62 SER A CA 503 77.0 1.0 ? True False False True 0 0 True -1 False False -1 502 -40.843 -3.862 1.796 1 ATOM C C . SER A 1 62 . 62 SER A C 504 78.95 1.0 ? True False False True 0 0 True -1 False False -1 503 -39.383 -4.325 1.864 1 ATOM O O . SER A 1 62 . 62 SER A O 505 79.28 1.0 ? True False False True 0 0 True -1 False False -1 504 -38.665 -3.976 2.806 1 ATOM C CB . SER A 1 62 . 62 SER A CB 506 81.58 1.0 ? True False False True 0 -1 False -1 False False -1 505 -41.658 -4.609 2.853 1 ATOM O OG . SER A 1 62 . 62 SER A OG 507 82.6 1.0 ? True False False True 0 -1 False -1 False False -1 506 -40.845 -4.988 3.949 1 ATOM N N . TYR A 1 63 . 63 TYR A N 508 74.76 1.0 ? True False False True 0 0 True -1 False False -1 507 -38.946 -5.111 0.88 1 ATOM C CA . TYR A 1 63 . 63 TYR A CA 509 70.96 1.0 ? True False False True 0 0 True -1 False False -1 508 -37.574 -5.639 0.866 1 ATOM C C . TYR A 1 63 . 63 TYR A C 510 64.63 1.0 ? True False False True 0 0 True -1 False False -1 509 -36.762 -5.079 -0.288 1 ATOM O O . TYR A 1 63 . 63 TYR A O 511 71.69 1.0 ? True False False True 0 0 True -1 False False -1 510 -35.616 -5.469 -0.492 1 ATOM C CB . TYR A 1 63 . 63 TYR A CB 512 59.32 1.0 ? True False False True 0 -1 False -1 False False -1 511 -37.567 -7.185 0.837 1 ATOM C CG . TYR A 1 63 . 63 TYR A CG 513 59.09 1.0 ? True False False True 0 -1 False -1 False False -1 512 -38.241 -7.726 2.057 1 ATOM C CD1 . TYR A 1 63 . 63 TYR A CD1 514 57.04 1.0 ? True False False True 0 -1 False -1 False False -1 513 -39.586 -8.079 2.027 1 ATOM C CD2 . TYR A 1 63 . 63 TYR A CD2 515 52.18 1.0 ? True False False True 0 -1 False -1 False False -1 514 -37.553 -7.809 3.265 1 ATOM C CE1 . TYR A 1 63 . 63 TYR A CE1 516 61.78 1.0 ? True False False True 0 -1 False -1 False False -1 515 -40.217 -8.529 3.159 1 ATOM C CE2 . TYR A 1 63 . 63 TYR A CE2 517 52.36 1.0 ? True False False True 0 -1 False -1 False False -1 516 -38.175 -8.254 4.409 1 ATOM C CZ . TYR A 1 63 . 63 TYR A CZ 518 60.77 1.0 ? True False False True 0 -1 False -1 False False -1 517 -39.508 -8.617 4.346 1 ATOM O OH . TYR A 1 63 . 63 TYR A OH 519 60.17 1.0 ? True False False True 0 -1 False -1 False False -1 518 -40.146 -9.064 5.473 1 ATOM N N . ARG A 1 64 . 64 ARG A N 520 71.61 1.0 ? True False False True 0 0 True -1 False False -1 519 -37.357 -4.166 -1.042 1 ATOM C CA . ARG A 1 64 . 64 ARG A CA 521 72.56 1.0 ? True False False True 0 0 True -1 False False -1 520 -36.671 -3.593 -2.195 1 ATOM C C . ARG A 1 64 . 64 ARG A C 522 65.75 1.0 ? True False False True 0 0 True -1 False False -1 521 -35.387 -2.891 -1.736 1 ATOM O O . ARG A 1 64 . 64 ARG A O 523 74.23 1.0 ? True False False True 0 0 True -1 False False -1 522 -35.414 -2.059 -0.83 1 ATOM C CB . ARG A 1 64 . 64 ARG A CB 524 74.91 1.0 ? True False False True 0 -1 False -1 False False -1 523 -37.602 -2.643 -2.942 1 ATOM C CG . ARG A 1 64 . 64 ARG A CG 525 88.03 1.0 ? True False False True 0 -1 False -1 False False -1 524 -37.076 -2.153 -4.272 1 ATOM C CD . ARG A 1 64 . 64 ARG A CD 526 94.91 1.0 ? True False False True 0 -1 False -1 False False -1 525 -37.919 -0.981 -4.759 1 ATOM N NE . ARG A 1 64 . 64 ARG A NE 527 98.38 1.0 ? True False False True 0 -1 False -1 False False -1 526 -37.364 -0.343 -5.948 1 ATOM C CZ . ARG A 1 64 . 64 ARG A CZ 528 99.88 1.0 ? True False False True 0 -1 False -1 False False -1 527 -37.781 0.827 -6.426 1 ATOM N NH1 . ARG A 1 64 . 64 ARG A NH1 529 106.51 1.0 ? True False False True 0 -1 False -1 False False -1 528 -38.754 1.486 -5.811 1 ATOM N NH2 . ARG A 1 64 . 64 ARG A NH2 530 94.55 1.0 +1 True False False True 0 -1 False -1 False False -1 529 -37.223 1.341 -7.513 1 ATOM N N . GLN A 1 65 . 65 GLN A N 531 65.38 1.0 ? True False False True 0 0 True -1 False False -1 530 -34.264 -3.282 -2.335 1 ATOM C CA . GLN A 1 65 . 65 GLN A CA 532 62.73 1.0 ? True False False True 0 0 True -1 False False -1 531 -32.94 -2.746 -2.007 1 ATOM C C . GLN A 1 65 . 65 GLN A C 533 69.73 1.0 ? True False False True 0 0 True -1 False False -1 532 -32.504 -2.927 -0.552 1 ATOM O O . GLN A 1 65 . 65 GLN A O 534 82.84 1.0 ? True False False True 0 0 True -1 False False -1 533 -31.545 -2.293 -0.108 1 ATOM C CB . GLN A 1 65 . 65 GLN A CB 535 79.45 1.0 ? True False False True 0 -1 False -1 False False -1 534 -32.831 -1.273 -2.437 1 ATOM C CG . GLN A 1 65 . 65 GLN A CG 536 91.26 1.0 ? True False False True 0 -1 False -1 False False -1 535 -33.292 -1.055 -3.87 1 ATOM C CD . GLN A 1 65 . 65 GLN A CD 537 100.84 1.0 ? True False False True 0 -1 False -1 False False -1 536 -32.932 0.309 -4.419 1 ATOM O OE1 . GLN A 1 65 . 65 GLN A OE1 538 106.67 1.0 ? True False False True 0 -1 False -1 False False -1 537 -32.193 1.072 -3.791 1 ATOM N NE2 . GLN A 1 65 . 65 GLN A NE2 539 103.52 1.0 ? True False False True 0 -1 False -1 False False -1 538 -33.453 0.623 -5.603 1 ATOM N N . ARG A 1 66 . 66 ARG A N 540 61.04 1.0 ? True False False True 0 0 True -1 False False -1 539 -33.215 -3.78 0.185 1 ATOM C CA . ARG A 1 66 . 66 ARG A CA 541 63.01 1.0 ? True False False True 0 0 True -1 False False -1 540 -32.832 -4.162 1.544 1 ATOM C C . ARG A 1 66 . 66 ARG A C 542 67.58 1.0 ? True False False True 0 0 True -1 False False -1 541 -32.246 -5.567 1.58 1 ATOM O O . ARG A 1 66 . 66 ARG A O 543 68.95 1.0 ? True False False True 0 0 True -1 False False -1 542 -31.444 -5.888 2.454 1 ATOM C CB . ARG A 1 66 . 66 ARG A CB 544 71.16 1.0 ? True False False True 0 -1 False -1 False False -1 543 -34.047 -4.171 2.478 1 ATOM C CG . ARG A 1 66 . 66 ARG A CG 545 79.43 1.0 ? True False False True 0 -1 False -1 False False -1 544 -34.651 -2.829 2.827 1 ATOM C CD . ARG A 1 66 . 66 ARG A CD 546 79.16 1.0 ? True False False True 0 -1 False -1 False False -1 545 -35.614 -2.988 3.995 1 ATOM N NE . ARG A 1 66 . 66 ARG A NE 547 79.13 1.0 ? True False False True 0 -1 False -1 False False -1 546 -34.895 -3.329 5.215 1 ATOM C CZ . ARG A 1 66 . 66 ARG A CZ 548 77.62 1.0 ? True False False True 0 -1 False -1 False False -1 547 -35.323 -4.19 6.133 1 ATOM N NH1 . ARG A 1 66 . 66 ARG A NH1 549 61.82 1.0 ? True False False True 0 -1 False -1 False False -1 548 -36.484 -4.819 5.984 1 ATOM N NH2 . ARG A 1 66 . 66 ARG A NH2 550 82.7 1.0 +1 True False False True 0 -1 False -1 False False -1 549 -34.58 -4.42 7.211 1 ATOM N N . ALA A 1 67 . 67 ALA A N 551 62.52 1.0 ? True False False True 0 0 True -1 False False -1 550 -32.668 -6.413 0.642 1 ATOM C CA . ALA A 1 67 . 67 ALA A CA 552 68.13 1.0 ? True False False True 0 0 True -1 False False -1 551 -32.377 -7.84 0.741 1 ATOM C C . ALA A 1 67 . 67 ALA A C 553 67.01 1.0 ? True False False True 0 0 True -1 False False -1 552 -31.582 -8.363 -0.438 1 ATOM O O . ALA A 1 67 . 67 ALA A O 554 71.32 1.0 ? True False False True 0 0 True -1 False False -1 553 -31.75 -7.895 -1.563 1 ATOM C CB . ALA A 1 67 . 67 ALA A CB 555 65.5 1.0 ? True False False True 0 -1 False -1 False False -1 554 -33.674 -8.63 0.885 1 ATOM N N . ARG A 1 68 . 68 ARG A N 556 59.96 1.0 ? True False False True 0 0 True -1 False False -1 555 -30.707 -9.332 -0.17 1 ATOM C CA . ARG A 1 68 . 68 ARG A CA 557 60.84 1.0 ? True False False True 0 0 True -1 False False -1 556 -30.041 -10.059 -1.245 1 ATOM C C . ARG A 1 68 . 68 ARG A C 558 65.08 1.0 ? True False False True 0 0 True -1 False False -1 557 -29.584 -11.446 -0.816 1 ATOM O O . ARG A 1 68 . 68 ARG A O 559 62.47 1.0 ? True False False True 0 0 True -1 False False -1 558 -29.403 -11.724 0.379 1 ATOM C CB . ARG A 1 68 . 68 ARG A CB 560 59.25 1.0 ? True False False True 0 -1 False -1 False False -1 559 -28.842 -9.288 -1.786 1 ATOM C CG . ARG A 1 68 . 68 ARG A CG 561 70.32 1.0 ? True False False True 0 -1 False -1 False False -1 560 -27.676 -9.218 -0.814 1 ATOM C CD . ARG A 1 68 . 68 ARG A CD 562 90.25 1.0 ? True False False True 0 -1 False -1 False False -1 561 -26.472 -8.561 -1.477 1 ATOM N NE . ARG A 1 68 . 68 ARG A NE 563 100.31 1.0 ? True False False True 0 -1 False -1 False False -1 562 -25.258 -8.704 -0.68 1 ATOM C CZ . ARG A 1 68 . 68 ARG A CZ 564 107.44 1.0 ? True False False True 0 -1 False -1 False False -1 563 -24.051 -8.328 -1.09 1 ATOM N NH1 . ARG A 1 68 . 68 ARG A NH1 565 111.13 1.0 ? True False False True 0 -1 False -1 False False -1 564 -23.9 -7.784 -2.29 1 ATOM N NH2 . ARG A 1 68 . 68 ARG A NH2 566 108.34 1.0 +1 True False False True 0 -1 False -1 False False -1 565 -22.995 -8.494 -0.304 1 ATOM N N . LEU A 1 69 . 69 LEU A N 567 68.72 1.0 ? True False False True 0 0 True -1 False False -1 566 -29.403 -12.304 -1.814 1 ATOM C CA . LEU A 1 69 . 69 LEU A CA 568 74.23 1.0 ? True False False True 0 0 True -1 False False -1 567 -28.864 -13.637 -1.617 1 ATOM C C . LEU A 1 69 . 69 LEU A C 569 79.58 1.0 ? True False False True 0 0 True -1 False False -1 568 -27.374 -13.568 -1.923 1 ATOM O O . LEU A 1 69 . 69 LEU A O 570 85.09 1.0 ? True False False True 0 0 True -1 False False -1 569 -26.972 -13.059 -2.973 1 ATOM C CB . LEU A 1 69 . 69 LEU A CB 571 66.15 1.0 ? True False False True 0 -1 False -1 False False -1 570 -29.56 -14.64 -2.552 1 ATOM C CG . LEU A 1 69 . 69 LEU A CG 572 65.06 1.0 ? True False False True 0 -1 False -1 False False -1 571 -29.359 -16.134 -2.272 1 ATOM C CD1 . LEU A 1 69 . 69 LEU A CD1 573 62.0 1.0 ? True False False True 0 -1 False -1 False False -1 572 -29.871 -16.491 -0.872 1 ATOM C CD2 . LEU A 1 69 . 69 LEU A CD2 574 65.26 1.0 ? True False False True 0 -1 False -1 False False -1 573 -30.022 -17.031 -3.346 1 ATOM N N . LEU A 1 70 . 70 LEU A N 575 70.55 1.0 ? True False False True 0 0 True -1 False False -1 574 -26.556 -14.055 -0.998 1 ATOM C CA . LEU A 1 70 . 70 LEU A CA 576 72.11 1.0 ? True False False True 0 0 True -1 False False -1 575 -25.115 -14.084 -1.201 1 ATOM C C . LEU A 1 70 . 70 LEU A C 577 69.14 1.0 ? True False False True 0 0 True -1 False False -1 576 -24.771 -15.188 -2.197 1 ATOM O O . LEU A 1 70 . 70 LEU A O 578 69.13 1.0 ? True False False True 0 0 True -1 False False -1 577 -24.812 -16.371 -1.86 1 ATOM C CB . LEU A 1 70 . 70 LEU A CB 579 79.16 1.0 ? True False False True 0 -1 False -1 False False -1 578 -24.395 -14.301 0.132 1 ATOM C CG . LEU A 1 70 . 70 LEU A CG 580 82.51 1.0 ? True False False True 0 -1 False -1 False False -1 579 -24.689 -13.264 1.226 1 ATOM C CD1 . LEU A 1 70 . 70 LEU A CD1 581 85.82 1.0 ? True False False True 0 -1 False -1 False False -1 580 -24.027 -13.642 2.547 1 ATOM C CD2 . LEU A 1 70 . 70 LEU A CD2 582 82.51 1.0 ? True False False True 0 -1 False -1 False False -1 581 -24.255 -11.867 0.789 1 ATOM N N . LYS A 1 71 . 71 LYS A N 583 71.56 1.0 ? True False False True 0 0 True -1 False False -1 582 -24.439 -14.787 -3.425 1 ATOM C CA . LYS A 1 71 . 71 LYS A CA 584 82.84 1.0 ? True False False True 0 0 True -1 False False -1 583 -24.247 -15.717 -4.541 1 ATOM C C . LYS A 1 71 . 71 LYS A C 585 79.6 1.0 ? True False False True 0 0 True -1 False False -1 584 -23.097 -16.7 -4.332 1 ATOM O O . LYS A 1 71 . 71 LYS A O 586 69.86 1.0 ? True False False True 0 0 True -1 False False -1 585 -23.223 -17.894 -4.629 1 ATOM C CB . LYS A 1 71 . 71 LYS A CB 587 92.62 1.0 ? True False False True 0 -1 False -1 False False -1 586 -24.029 -14.94 -5.844 1 ATOM C CG . LYS A 1 71 . 71 LYS A CG 588 98.49 1.0 ? True False False True 0 -1 False -1 False False -1 587 -25.287 -14.738 -6.675 1 ATOM C CD . LYS A 1 71 . 71 LYS A CD 589 104.97 1.0 ? True False False True 0 -1 False -1 False False -1 588 -25.144 -13.55 -7.625 1 ATOM C CE . LYS A 1 71 . 71 LYS A CE 590 103.06 1.0 ? True False False True 0 -1 False -1 False False -1 589 -25.231 -12.22 -6.875 1 ATOM N NZ . LYS A 1 71 . 71 LYS A NZ 591 101.53 1.0 +1 True False False True 0 -1 False -1 False False -1 590 -26.574 -12.015 -6.258 1 ATOM N N . ASP A 1 72 . 72 ASP A N 592 86.19 1.0 ? True False False True 0 0 True -1 False False -1 591 -21.981 -16.175 -3.837 1 ATOM C CA . ASP A 1 72 . 72 ASP A CA 593 93.31 1.0 ? True False False True 0 0 True -1 False False -1 592 -20.775 -16.948 -3.565 1 ATOM C C . ASP A 1 72 . 72 ASP A C 594 91.52 1.0 ? True False False True 0 0 True -1 False False -1 593 -21.061 -18.167 -2.695 1 ATOM O O . ASP A 1 72 . 72 ASP A O 595 92.62 1.0 ? True False False True 0 0 True -1 False False -1 594 -20.64 -19.286 -3.005 1 ATOM C CB . ASP A 1 72 . 72 ASP A CB 596 103.62 1.0 ? True False False True 0 -1 False -1 False False -1 595 -19.757 -16.047 -2.864 1 ATOM C CG . ASP A 1 72 . 72 ASP A CG 597 110.44 1.0 ? True False False True 0 -1 False -1 False False -1 596 -20.382 -15.231 -1.748 1 ATOM O OD1 . ASP A 1 72 . 72 ASP A OD1 598 113.08 1.0 ? True False False True 0 -1 False -1 False False -1 597 -19.65 -14.764 -0.847 1 ATOM O OD2 . ASP A 1 72 . 72 ASP A OD2 599 114.05 1.0 ? True False False True 0 -1 False -1 False False -1 598 -21.62 -15.067 -1.772 1 ATOM N N . GLN A 1 73 . 73 GLN A N 600 83.91 1.0 ? True False False True 0 0 True -1 False False -1 599 -21.798 -17.937 -1.614 1 ATOM C CA . GLN A 1 73 . 73 GLN A CA 601 82.55 1.0 ? True False False True 0 0 True -1 False False -1 600 -22.099 -18.974 -0.635 1 ATOM C C . GLN A 1 73 . 73 GLN A C 602 81.03 1.0 ? True False False True 0 0 True -1 False False -1 601 -22.908 -20.148 -1.197 1 ATOM O O . GLN A 1 73 . 73 GLN A O 603 80.72 1.0 ? True False False True 0 0 True -1 False False -1 602 -22.944 -21.219 -0.593 1 ATOM C CB . GLN A 1 73 . 73 GLN A CB 604 83.56 1.0 ? True False False True 0 -1 False -1 False False -1 603 -22.813 -18.363 0.579 1 ATOM C CG . GLN A 1 73 . 73 GLN A CG 605 81.16 1.0 ? True False False True 0 -1 False -1 False False -1 604 -21.906 -17.524 1.491 1 ATOM C CD . GLN A 1 73 . 73 GLN A CD 606 85.35 1.0 ? True False False True 0 -1 False -1 False False -1 605 -20.795 -18.349 2.108 1 ATOM O OE1 . GLN A 1 73 . 73 GLN A OE1 607 88.77 1.0 ? True False False True 0 -1 False -1 False False -1 606 -19.621 -17.978 2.057 1 ATOM N NE2 . GLN A 1 73 . 73 GLN A NE2 608 83.71 1.0 ? True False False True 0 -1 False -1 False False -1 607 -21.164 -19.484 2.697 1 ATOM N N . LEU A 1 74 . 74 LEU A N 609 80.19 1.0 ? True False False True 0 0 True -1 False False -1 608 -23.557 -19.953 -2.344 1 ATOM C CA . LEU A 1 74 . 74 LEU A CA 610 74.34 1.0 ? True False False True 0 0 True -1 False False -1 609 -24.379 -21.013 -2.924 1 ATOM C C . LEU A 1 74 . 74 LEU A C 611 78.42 1.0 ? True False False True 0 0 True -1 False False -1 610 -23.553 -22.218 -3.358 1 ATOM O O . LEU A 1 74 . 74 LEU A O 612 77.7 1.0 ? True False False True 0 0 True -1 False False -1 611 -23.958 -23.352 -3.13 1 ATOM C CB . LEU A 1 74 . 74 LEU A CB 613 72.08 1.0 ? True False False True 0 -1 False -1 False False -1 612 -25.225 -20.497 -4.09 1 ATOM C CG . LEU A 1 74 . 74 LEU A CG 614 71.51 1.0 ? True False False True 0 -1 False -1 False False -1 613 -26.482 -19.685 -3.769 1 ATOM C CD1 . LEU A 1 74 . 74 LEU A CD1 615 67.39 1.0 ? True False False True 0 -1 False -1 False False -1 614 -27.254 -19.407 -5.041 1 ATOM C CD2 . LEU A 1 74 . 74 LEU A CD2 616 69.62 1.0 ? True False False True 0 -1 False -1 False False -1 615 -27.362 -20.42 -2.783 1 ATOM N N . SER A 1 75 . 75 SER A N 617 85.32 1.0 ? True False False True 0 0 True -1 False False -1 616 -22.397 -21.969 -3.973 1 ATOM C CA . SER A 1 75 . 75 SER A CA 618 83.45 1.0 ? True False False True 0 0 True -1 False False -1 617 -21.516 -23.04 -4.442 1 ATOM C C . SER A 1 75 . 75 SER A C 619 81.95 1.0 ? True False False True 0 0 True -1 False False -1 618 -21.124 -23.982 -3.302 1 ATOM O O . SER A 1 75 . 75 SER A O 620 79.85 1.0 ? True False False True 0 0 True -1 False False -1 619 -20.854 -25.171 -3.521 1 ATOM C CB . SER A 1 75 . 75 SER A CB 621 90.12 1.0 ? True False False True 0 -1 False -1 False False -1 620 -20.247 -22.449 -5.064 1 ATOM O OG . SER A 1 75 . 75 SER A OG 622 92.73 1.0 ? True False False True 0 -1 False -1 False False -1 621 -20.544 -21.365 -5.924 1 ATOM N N . LEU A 1 76 . 76 LEU A N 623 78.08 1.0 ? True False False True 0 0 True -1 False False -1 622 -21.091 -23.431 -2.091 1 ATOM C CA . LEU A 1 76 . 76 LEU A CA 624 84.47 1.0 ? True False False True 0 0 True -1 False False -1 623 -20.718 -24.168 -0.886 1 ATOM C C . LEU A 1 76 . 76 LEU A C 625 92.57 1.0 ? True False False True 0 0 True -1 False False -1 624 -21.899 -24.928 -0.264 1 ATOM O O . LEU A 1 76 . 76 LEU A O 626 98.4 1.0 ? True False False True 0 0 True -1 False False -1 625 -21.724 -25.672 0.703 1 ATOM C CB . LEU A 1 76 . 76 LEU A CB 627 79.85 1.0 ? True False False True 0 -1 False -1 False False -1 626 -20.137 -23.203 0.159 1 ATOM C CG . LEU A 1 76 . 76 LEU A CG 628 75.57 1.0 ? True False False True 0 -1 False -1 False False -1 627 -19.133 -22.152 -0.328 1 ATOM C CD1 . LEU A 1 76 . 76 LEU A CD1 629 76.7 1.0 ? True False False True 0 -1 False -1 False False -1 628 -18.647 -21.263 0.831 1 ATOM C CD2 . LEU A 1 76 . 76 LEU A CD2 630 81.96 1.0 ? True False False True 0 -1 False -1 False False -1 629 -17.965 -22.815 -1.045 1 ATOM N N . GLY A 1 77 . 77 GLY A N 631 86.46 1.0 ? True False False True 0 0 True -1 False False -1 630 -23.099 -24.731 -0.805 1 ATOM C CA . GLY A 1 77 . 77 GLY A CA 632 76.74 1.0 ? True False False True 0 0 True -1 False False -1 631 -24.293 -25.362 -0.264 1 ATOM C C . GLY A 1 77 . 77 GLY A C 633 77.56 1.0 ? True False False True 0 0 True -1 False False -1 632 -24.97 -24.533 0.816 1 ATOM O O . GLY A 1 77 . 77 GLY A O 634 73.29 1.0 ? True False False True 0 0 True -1 False False -1 633 -25.673 -25.07 1.677 1 ATOM N N . ASN A 1 78 . 78 ASN A N 635 74.17 1.0 ? True False False True 0 0 True -1 False False -1 634 -24.752 -23.222 0.769 1 ATOM C CA . ASN A 1 78 . 78 ASN A CA 636 69.59 1.0 ? True False False True 0 0 True -1 False False -1 635 -25.328 -22.301 1.742 1 ATOM C C . ASN A 1 78 . 78 ASN A C 637 70.7 1.0 ? True False False True 0 0 True -1 False False -1 636 -26.186 -21.218 1.084 1 ATOM O O . ASN A 1 78 . 78 ASN A O 638 72.17 1.0 ? True False False True 0 0 True -1 False False -1 637 -25.687 -20.363 0.351 1 ATOM C CB . ASN A 1 78 . 78 ASN A CB 639 71.22 1.0 ? True False False True 0 -1 False -1 False False -1 638 -24.225 -21.666 2.602 1 ATOM C CG . ASN A 1 78 . 78 ASN A CG 640 76.11 1.0 ? True False False True 0 -1 False -1 False False -1 639 -24.765 -20.651 3.619 1 ATOM O OD1 . ASN A 1 78 . 78 ASN A OD1 641 74.87 1.0 ? True False False True 0 -1 False -1 False False -1 640 -25.97 -20.586 3.891 1 ATOM N ND2 . ASN A 1 78 . 78 ASN A ND2 642 77.84 1.0 ? True False False True 0 -1 False -1 False False -1 641 -23.862 -19.853 4.187 1 ATOM N N . ALA A 1 79 . 79 ALA A N 643 68.15 1.0 ? True False False True 0 0 True -1 False False -1 642 -27.485 -21.273 1.351 1 ATOM C CA . ALA A 1 79 . 79 ALA A CA 644 70.68 1.0 ? True False False True 0 0 True -1 False False -1 643 -28.384 -20.189 0.994 1 ATOM C C . ALA A 1 79 . 79 ALA A C 645 68.59 1.0 ? True False False True 0 0 True -1 False False -1 644 -28.348 -19.16 2.111 1 ATOM O O . ALA A 1 79 . 79 ALA A O 646 70.13 1.0 ? True False False True 0 0 True -1 False False -1 645 -28.947 -19.362 3.171 1 ATOM C CB . ALA A 1 79 . 79 ALA A CB 647 70.28 1.0 ? True False False True 0 -1 False -1 False False -1 646 -29.787 -20.715 0.815 1 ATOM N N . ALA A 1 80 . 80 ALA A N 648 61.77 1.0 ? True False False True 0 0 True -1 False False -1 647 -27.629 -18.066 1.888 1 ATOM C CA . ALA A 1 80 . 80 ALA A CA 649 59.47 1.0 ? True False False True 0 0 True -1 False False -1 648 -27.448 -17.067 2.923 1 ATOM C C . ALA A 1 80 . 80 ALA A C 650 65.84 1.0 ? True False False True 0 0 True -1 False False -1 649 -28.128 -15.764 2.528 1 ATOM O O . ALA A 1 80 . 80 ALA A O 651 64.23 1.0 ? True False False True 0 0 True -1 False False -1 650 -27.749 -15.119 1.547 1 ATOM C CB . ALA A 1 80 . 80 ALA A CB 652 62.28 1.0 ? True False False True 0 -1 False -1 False False -1 651 -25.97 -16.848 3.194 1 ATOM N N . LEU A 1 81 . 81 LEU A N 653 54.75 1.0 ? True False False True 0 0 True -1 False False -1 652 -29.143 -15.393 3.299 1 ATOM C CA . LEU A 1 81 . 81 LEU A CA 654 54.09 1.0 ? True False False True 0 0 True -1 False False -1 653 -29.951 -14.23 3.006 1 ATOM C C . LEU A 1 81 . 81 LEU A C 655 54.09 1.0 ? True False False True 0 0 True -1 False False -1 654 -29.426 -13.082 3.835 1 ATOM O O . LEU A 1 81 . 81 LEU A O 656 57.18 1.0 ? True False False True 0 0 True -1 False False -1 655 -29.34 -13.18 5.061 1 ATOM C CB . LEU A 1 81 . 81 LEU A CB 657 53.67 1.0 ? True False False True 0 -1 False -1 False False -1 656 -31.417 -14.491 3.352 1 ATOM C CG . LEU A 1 81 . 81 LEU A CG 658 57.21 1.0 ? True False False True 0 -1 False -1 False False -1 657 -32.35 -13.273 3.38 1 ATOM C CD1 . LEU A 1 81 . 81 LEU A CD1 659 51.32 1.0 ? True False False True 0 -1 False -1 False False -1 658 -32.545 -12.678 1.99 1 ATOM C CD2 . LEU A 1 81 . 81 LEU A CD2 660 52.79 1.0 ? True False False True 0 -1 False -1 False False -1 659 -33.701 -13.643 3.997 1 ATOM N N . GLN A 1 82 . 82 GLN A N 661 49.38 1.0 ? True False False True 0 0 True -1 False False -1 660 -29.049 -12.0 3.173 1 ATOM C CA . GLN A 1 82 . 82 GLN A CA 662 61.93 1.0 ? True False False True 0 0 True -1 False False -1 661 -28.581 -10.823 3.901 1 ATOM C C . GLN A 1 82 . 82 GLN A C 663 65.6 1.0 ? True False False True 0 0 True -1 False False -1 662 -29.573 -9.678 3.767 1 ATOM O O . GLN A 1 82 . 82 GLN A O 664 60.23 1.0 ? True False False True 0 0 True -1 False False -1 663 -29.985 -9.327 2.653 1 ATOM C CB . GLN A 1 82 . 82 GLN A CB 665 67.52 1.0 ? True False False True 0 -1 False -1 False False -1 664 -27.202 -10.388 3.412 1 ATOM C CG . GLN A 1 82 . 82 GLN A CG 666 67.97 1.0 ? True False False True 0 -1 False -1 False False -1 665 -26.627 -9.168 4.13 1 ATOM C CD . GLN A 1 82 . 82 GLN A CD 667 77.29 1.0 ? True False False True 0 -1 False -1 False False -1 666 -25.64 -8.441 3.247 1 ATOM O OE1 . GLN A 1 82 . 82 GLN A OE1 668 80.08 1.0 ? True False False True 0 -1 False -1 False False -1 667 -25.998 -7.489 2.558 1 ATOM N NE2 . GLN A 1 82 . 82 GLN A NE2 669 79.28 1.0 ? True False False True 0 -1 False -1 False False -1 668 -24.4 -8.916 3.226 1 ATOM N N . ILE A 1 83 . 83 ILE A N 670 62.5 1.0 ? True False False True 0 0 True -1 False False -1 669 -29.965 -9.122 4.911 1 ATOM C CA . ILE A 1 83 . 83 ILE A CA 671 62.52 1.0 ? True False False True 0 0 True -1 False False -1 670 -30.874 -7.984 4.965 1 ATOM C C . ILE A 1 83 . 83 ILE A C 672 64.05 1.0 ? True False False True 0 0 True -1 False False -1 671 -30.186 -6.823 5.674 1 ATOM O O . ILE A 1 83 . 83 ILE A O 673 56.63 1.0 ? True False False True 0 0 True -1 False False -1 672 -29.683 -6.968 6.789 1 ATOM C CB . ILE A 1 83 . 83 ILE A CB 674 60.91 1.0 ? True False False True 0 -1 False -1 False False -1 673 -32.188 -8.319 5.705 1 ATOM C CG1 . ILE A 1 83 . 83 ILE A CG1 675 62.85 1.0 ? True False False True 0 -1 False -1 False False -1 674 -33.0 -9.356 4.921 1 ATOM C CG2 . ILE A 1 83 . 83 ILE A CG2 676 63.27 1.0 ? True False False True 0 -1 False -1 False False -1 675 -33.015 -7.053 5.924 1 ATOM C CD1 . ILE A 1 83 . 83 ILE A CD1 677 62.95 1.0 ? True False False True 0 -1 False -1 False False -1 676 -34.329 -9.691 5.553 1 ATOM N N . THR A 1 84 . 84 THR A N 678 56.32 1.0 ? True False False True 0 0 True -1 False False -1 677 -30.167 -5.672 5.019 1 ATOM C CA . THR A 1 84 . 84 THR A CA 679 63.82 1.0 ? True False False True 0 0 True -1 False False -1 678 -29.435 -4.524 5.541 1 ATOM C C . THR A 1 84 . 84 THR A C 680 65.73 1.0 ? True False False True 0 0 True -1 False False -1 679 -30.299 -3.591 6.379 1 ATOM O O . THR A 1 84 . 84 THR A O 681 65.72 1.0 ? True False False True 0 0 True -1 False False -1 680 -31.507 -3.477 6.165 1 ATOM C CB . THR A 1 84 . 84 THR A CB 682 68.06 1.0 ? True False False True 0 -1 False -1 False False -1 681 -28.835 -3.725 4.399 1 ATOM O OG1 . THR A 1 84 . 84 THR A OG1 683 75.95 1.0 ? True False False True 0 -1 False -1 False False -1 682 -29.818 -3.594 3.368 1 ATOM C CG2 . THR A 1 84 . 84 THR A CG2 684 70.11 1.0 ? True False False True 0 -1 False -1 False False -1 683 -27.63 -4.457 3.831 1 ATOM N N . ASP A 1 85 . 85 ASP A N 685 69.93 1.0 ? True False False True 0 0 True -1 False False -1 684 -29.652 -2.916 7.324 1 ATOM C CA . ASP A 1 85 . 85 ASP A CA 686 66.45 1.0 ? True False False True 0 0 True -1 False False -1 685 -30.302 -1.922 8.17 1 ATOM C C . ASP A 1 85 . 85 ASP A C 687 63.87 1.0 ? True False False True 0 0 True -1 False False -1 686 -31.497 -2.509 8.903 1 ATOM O O . ASP A 1 85 . 85 ASP A O 688 57.09 1.0 ? True False False True 0 0 True -1 False False -1 687 -32.645 -2.133 8.66 1 ATOM C CB . ASP A 1 85 . 85 ASP A CB 689 71.62 1.0 ? True False False True 0 -1 False -1 False False -1 688 -30.735 -0.711 7.348 1 ATOM C CG . ASP A 1 85 . 85 ASP A CG 690 88.93 1.0 ? True False False True 0 -1 False -1 False False -1 689 -30.826 0.55 8.186 1 ATOM O OD1 . ASP A 1 85 . 85 ASP A OD1 691 93.35 1.0 ? True False False True 0 -1 False -1 False False -1 690 -29.945 0.749 9.052 1 ATOM O OD2 . ASP A 1 85 . 85 ASP A OD2 692 94.99 1.0 ? True False False True 0 -1 False -1 False False -1 691 -31.777 1.337 7.985 1 ATOM N N . VAL A 1 86 . 86 VAL A N 693 63.12 1.0 ? True False False True 0 0 True -1 False False -1 692 -31.22 -3.44 9.805 1 ATOM C CA . VAL A 1 86 . 86 VAL A CA 694 63.11 1.0 ? True False False True 0 0 True -1 False False -1 693 -32.285 -4.18 10.459 1 ATOM C C . VAL A 1 86 . 86 VAL A C 695 61.46 1.0 ? True False False True 0 0 True -1 False False -1 694 -33.148 -3.319 11.369 1 ATOM O O . VAL A 1 86 . 86 VAL A O 696 58.54 1.0 ? True False False True 0 0 True -1 False False -1 695 -32.647 -2.566 12.195 1 ATOM C CB . VAL A 1 86 . 86 VAL A CB 697 63.27 1.0 ? True False False True 0 -1 False -1 False False -1 696 -31.733 -5.377 11.232 1 ATOM C CG1 . VAL A 1 86 . 86 VAL A CG1 698 65.89 1.0 ? True False False True 0 -1 False -1 False False -1 697 -32.844 -6.075 11.974 1 ATOM C CG2 . VAL A 1 86 . 86 VAL A CG2 699 63.93 1.0 ? True False False True 0 -1 False -1 False False -1 698 -31.061 -6.323 10.269 1 ATOM N N . LYS A 1 87 . 87 LYS A N 700 59.19 1.0 ? True False False True 0 0 True -1 False False -1 699 -34.456 -3.428 11.191 1 ATOM C CA . LYS A 1 87 . 87 LYS A CA 701 65.37 1.0 ? True False False True 0 0 True -1 False False -1 700 -35.383 -2.673 11.991 1 ATOM C C . LYS A 1 87 . 87 LYS A C 702 66.89 1.0 ? True False False True 0 0 True -1 False False -1 701 -36.061 -3.621 12.957 1 ATOM O O . LYS A 1 87 . 87 LYS A O 703 65.19 1.0 ? True False False True 0 0 True -1 False False -1 702 -35.983 -4.843 12.815 1 ATOM C CB . LYS A 1 87 . 87 LYS A CB 704 75.98 1.0 ? True False False True 0 -1 False -1 False False -1 703 -36.405 -1.957 11.103 1 ATOM C CG . LYS A 1 87 . 87 LYS A CG 705 84.5 1.0 ? True False False True 0 -1 False -1 False False -1 704 -36.145 -0.463 10.951 1 ATOM C CD . LYS A 1 87 . 87 LYS A CD 706 88.11 1.0 ? True False False True 0 -1 False -1 False False -1 705 -34.65 -0.186 10.872 1 ATOM C CE . LYS A 1 87 . 87 LYS A CE 707 88.62 1.0 ? True False False True 0 -1 False -1 False False -1 706 -34.326 1.291 10.943 1 ATOM N NZ . LYS A 1 87 . 87 LYS A NZ 708 88.03 1.0 +1 True False False True 0 -1 False -1 False False -1 707 -32.854 1.467 11.135 1 ATOM N N . LEU A 1 88 . 88 LEU A N 709 59.44 1.0 ? True False False True 0 0 True -1 False False -1 708 -36.71 -3.041 13.955 1 ATOM C CA . LEU A 1 88 . 88 LEU A CA 710 60.97 1.0 ? True False False True 0 0 True -1 False False -1 709 -37.479 -3.787 14.933 1 ATOM C C . LEU A 1 88 . 88 LEU A C 711 64.09 1.0 ? True False False True 0 0 True -1 False False -1 710 -38.518 -4.673 14.236 1 ATOM O O . LEU A 1 88 . 88 LEU A O 712 59.15 1.0 ? True False False True 0 0 True -1 False False -1 711 -38.821 -5.782 14.687 1 ATOM C CB . LEU A 1 88 . 88 LEU A CB 713 70.37 1.0 ? True False False True 0 -1 False -1 False False -1 712 -38.192 -2.79 15.828 1 ATOM C CG . LEU A 1 88 . 88 LEU A CG 714 78.92 1.0 ? True False False True 0 -1 False -1 False False -1 713 -38.404 -3.092 17.298 1 ATOM C CD1 . LEU A 1 88 . 88 LEU A CD1 715 70.32 1.0 ? True False False True 0 -1 False -1 False False -1 714 -37.533 -2.17 18.126 1 ATOM C CD2 . LEU A 1 88 . 88 LEU A CD2 716 90.22 1.0 ? True False False True 0 -1 False -1 False False -1 715 -39.882 -2.896 17.614 1 ATOM N N . GLN A 1 89 . 89 GLN A N 717 62.96 1.0 ? True False False True 0 0 True -1 False False -1 716 -39.055 -4.163 13.131 1 ATOM C CA . GLN A 1 89 . 89 GLN A CA 718 66.18 1.0 ? True False False True 0 0 True -1 False False -1 717 -40.106 -4.823 12.359 1 ATOM C C . GLN A 1 89 . 89 GLN A C 719 63.15 1.0 ? True False False True 0 0 True -1 False False -1 718 -39.638 -6.102 11.666 1 ATOM O O . GLN A 1 89 . 89 GLN A O 720 64.52 1.0 ? True False False True 0 0 True -1 False False -1 719 -40.46 -6.883 11.185 1 ATOM C CB . GLN A 1 89 . 89 GLN A CB 721 68.37 1.0 ? True False False True 0 -1 False -1 False False -1 720 -40.671 -3.858 11.301 1 ATOM C CG . GLN A 1 89 . 89 GLN A CG 722 82.46 1.0 ? True False False True 0 -1 False -1 False False -1 721 -41.415 -2.628 11.854 1 ATOM C CD . GLN A 1 89 . 89 GLN A CD 723 87.89 1.0 ? True False False True 0 -1 False -1 False False -1 722 -40.505 -1.441 12.181 1 ATOM O OE1 . GLN A 1 89 . 89 GLN A OE1 724 86.24 1.0 ? True False False True 0 -1 False -1 False False -1 723 -39.317 -1.603 12.462 1 ATOM N NE2 . GLN A 1 89 . 89 GLN A NE2 725 94.72 1.0 ? True False False True 0 -1 False -1 False False -1 724 -41.073 -0.237 12.149 1 ATOM N N . ASP A 1 90 . 90 ASP A N 726 66.58 1.0 ? True False False True 0 0 True -1 False False -1 725 -38.325 -6.311 11.615 1 ATOM C CA . ASP A 1 90 . 90 ASP A CA 727 60.4 1.0 ? True False False True 0 0 True -1 False False -1 726 -37.75 -7.485 10.947 1 ATOM C C . ASP A 1 90 . 90 ASP A C 728 64.0 1.0 ? True False False True 0 0 True -1 False False -1 727 -37.707 -8.714 11.844 1 ATOM O O . ASP A 1 90 . 90 ASP A O 729 60.58 1.0 ? True False False True 0 0 True -1 False False -1 728 -37.325 -9.799 11.402 1 ATOM C CB . ASP A 1 90 . 90 ASP A CB 730 62.76 1.0 ? True False False True 0 -1 False -1 False False -1 729 -36.347 -7.18 10.423 1 ATOM C CG . ASP A 1 90 . 90 ASP A CG 731 68.97 1.0 ? True False False True 0 -1 False -1 False False -1 730 -36.347 -6.106 9.352 1 ATOM O OD1 . ASP A 1 90 . 90 ASP A OD1 732 63.78 1.0 ? True False False True 0 -1 False -1 False False -1 731 -37.241 -6.144 8.474 1 ATOM O OD2 . ASP A 1 90 . 90 ASP A OD2 733 65.32 1.0 ? True False False True 0 -1 False -1 False False -1 732 -35.453 -5.225 9.386 1 ATOM N N . ALA A 1 91 . 91 ALA A N 734 61.44 1.0 ? True False False True 0 0 True -1 False False -1 733 -38.098 -8.559 13.104 1 ATOM C CA . ALA A 1 91 . 91 ALA A CA 735 63.64 1.0 ? True False False True 0 0 True -1 False False -1 734 -38.237 -9.726 13.962 1 ATOM C C . ALA A 1 91 . 91 ALA A C 736 64.45 1.0 ? True False False True 0 0 True -1 False False -1 735 -39.405 -10.554 13.453 1 ATOM O O . ALA A 1 91 . 91 ALA A O 737 58.25 1.0 ? True False False True 0 0 True -1 False False -1 736 -40.447 -10.013 13.051 1 ATOM C CB . ALA A 1 91 . 91 ALA A CB 738 59.73 1.0 ? True False False True 0 -1 False -1 False False -1 737 -38.461 -9.323 15.407 1 ATOM N N . GLY A 1 92 . 92 GLY A N 739 58.52 1.0 ? True False False True 0 0 True -1 False False -1 738 -39.226 -11.869 13.453 1 ATOM C CA . GLY A 1 92 . 92 GLY A CA 740 56.1 1.0 ? True False False True 0 0 True -1 False False -1 739 -40.297 -12.759 13.062 1 ATOM C C . GLY A 1 92 . 92 GLY A C 741 56.84 1.0 ? True False False True 0 0 True -1 False False -1 740 -39.79 -14.107 12.591 1 ATOM O O . GLY A 1 92 . 92 GLY A O 742 57.76 1.0 ? True False False True 0 0 True -1 False False -1 741 -38.635 -14.466 12.825 1 ATOM N N . VAL A 1 93 . 93 VAL A N 743 61.23 1.0 ? True False False True 0 0 True -1 False False -1 742 -40.658 -14.847 11.914 1 ATOM C CA . VAL A 1 93 . 93 VAL A CA 744 63.59 1.0 ? True False False True 0 0 True -1 False False -1 743 -40.315 -16.183 11.442 1 ATOM C C . VAL A 1 93 . 93 VAL A C 745 59.24 1.0 ? True False False True 0 0 True -1 False False -1 744 -40.021 -16.212 9.938 1 ATOM O O . VAL A 1 93 . 93 VAL A O 746 62.9 1.0 ? True False False True 0 0 True -1 False False -1 745 -40.91 -15.978 9.115 1 ATOM C CB . VAL A 1 93 . 93 VAL A CB 747 59.62 1.0 ? True False False True 0 -1 False -1 False False -1 746 -41.432 -17.192 11.745 1 ATOM C CG1 . VAL A 1 93 . 93 VAL A CG1 748 58.86 1.0 ? True False False True 0 -1 False -1 False False -1 747 -41.06 -18.533 11.166 1 ATOM C CG2 . VAL A 1 93 . 93 VAL A CG2 749 60.15 1.0 ? True False False True 0 -1 False -1 False False -1 748 -41.676 -17.301 13.244 1 ATOM N N . TYR A 1 94 . 94 TYR A N 750 54.89 1.0 ? True False False True 0 0 True -1 False False -1 749 -38.769 -16.498 9.591 1 ATOM C CA . TYR A 1 94 . 94 TYR A CA 751 48.68 1.0 ? True False False True 0 0 True -1 False False -1 750 -38.349 -16.58 8.193 1 ATOM C C . TYR A 1 94 . 94 TYR A C 752 52.33 1.0 ? True False False True 0 0 True -1 False False -1 751 -38.411 -18.022 7.726 1 ATOM O O . TYR A 1 94 . 94 TYR A O 753 58.25 1.0 ? True False False True 0 0 True -1 False False -1 752 -38.083 -18.936 8.482 1 ATOM C CB . TYR A 1 94 . 94 TYR A CB 754 42.17 1.0 ? True False False True 0 -1 False -1 False False -1 753 -36.927 -16.031 8.032 1 ATOM C CG . TYR A 1 94 . 94 TYR A CG 755 49.96 1.0 ? True False False True 0 -1 False -1 False False -1 754 -36.859 -14.524 8.289 1 ATOM C CD1 . TYR A 1 94 . 94 TYR A CD1 756 49.96 1.0 ? True False False True 0 -1 False -1 False False -1 755 -36.943 -14.007 9.581 1 ATOM C CD2 . TYR A 1 94 . 94 TYR A CD2 757 56.44 1.0 ? True False False True 0 -1 False -1 False False -1 756 -36.723 -13.628 7.231 1 ATOM C CE1 . TYR A 1 94 . 94 TYR A CE1 758 50.07 1.0 ? True False False True 0 -1 False -1 False False -1 757 -36.891 -12.621 9.816 1 ATOM C CE2 . TYR A 1 94 . 94 TYR A CE2 759 52.37 1.0 ? True False False True 0 -1 False -1 False False -1 758 -36.668 -12.254 7.449 1 ATOM C CZ . TYR A 1 94 . 94 TYR A CZ 760 53.78 1.0 ? True False False True 0 -1 False -1 False False -1 759 -36.753 -11.755 8.743 1 ATOM O OH . TYR A 1 94 . 94 TYR A OH 761 57.21 1.0 ? True False False True 0 -1 False -1 False False -1 760 -36.703 -10.382 8.944 1 ATOM N N . ARG A 1 95 . 95 ARG A N 762 51.89 1.0 ? True False False True 0 0 True -1 False False -1 761 -38.839 -18.224 6.485 1 ATOM C CA . ARG A 1 95 . 95 ARG A CA 763 50.1 1.0 ? True False False True 0 0 True -1 False False -1 762 -38.885 -19.555 5.914 1 ATOM C C . ARG A 1 95 . 95 ARG A C 764 60.6 1.0 ? True False False True 0 0 True -1 False False -1 763 -38.07 -19.6 4.629 1 ATOM O O . ARG A 1 95 . 95 ARG A O 765 55.26 1.0 ? True False False True 0 0 True -1 False False -1 764 -38.23 -18.752 3.746 1 ATOM C CB . ARG A 1 95 . 95 ARG A CB 766 49.92 1.0 ? True False False True 0 -1 False -1 False False -1 765 -40.326 -19.975 5.621 1 ATOM C CG . ARG A 1 95 . 95 ARG A CG 767 51.31 1.0 ? True False False True 0 -1 False -1 False False -1 766 -40.412 -21.358 4.948 1 ATOM C CD . ARG A 1 95 . 95 ARG A CD 768 66.14 1.0 ? True False False True 0 -1 False -1 False False -1 767 -41.849 -21.786 4.66 1 ATOM N NE . ARG A 1 95 . 95 ARG A NE 769 83.88 1.0 ? True False False True 0 -1 False -1 False False -1 768 -42.246 -21.44 3.3 1 ATOM C CZ . ARG A 1 95 . 95 ARG A CZ 770 82.93 1.0 ? True False False True 0 -1 False -1 False False -1 769 -42.308 -22.299 2.289 1 ATOM N NH1 . ARG A 1 95 . 95 ARG A NH1 771 87.44 1.0 ? True False False True 0 -1 False -1 False False -1 770 -42.019 -23.578 2.475 1 ATOM N NH2 . ARG A 1 95 . 95 ARG A NH2 772 82.63 1.0 +1 True False False True 0 -1 False -1 False False -1 771 -42.67 -21.873 1.089 1 ATOM N N . CYS A 1 96 . 96 CYS A N 773 56.08 1.0 ? True False False True 0 0 True -1 False False -1 772 -37.197 -20.592 4.531 1 ATOM C CA . CYS A 1 96 . 96 CYS A CA 774 56.58 1.0 ? True False False True 0 0 True -1 False False -1 773 -36.464 -20.832 3.304 1 ATOM C C . CYS A 1 96 . 96 CYS A C 775 63.46 1.0 ? True False False True 0 0 True -1 False False -1 774 -36.91 -22.148 2.684 1 ATOM O O . CYS A 1 96 . 96 CYS A O 776 56.79 1.0 ? True False False True 0 0 True -1 False False -1 775 -37.234 -23.123 3.368 1 ATOM C CB . CYS A 1 96 . 96 CYS A CB 777 61.41 1.0 ? True False False True 0 -1 False -1 False False -1 776 -34.968 -20.895 3.574 1 ATOM S SG . CYS A 1 96 . 96 CYS A SG 778 61.24 1.0 ? True False False True 0 -1 False -1 False False -1 777 -34.498 -22.444 4.372 1 ATOM N N . MET A 1 97 . 97 MET A N 779 55.43 1.0 ? True False False True 0 0 True -1 False False -1 778 -36.922 -22.176 1.367 1 ATOM C CA . MET A 1 97 . 97 MET A CA 780 62.61 1.0 ? True False False True 0 0 True -1 False False -1 779 -37.281 -23.382 0.684 1 ATOM C C . MET A 1 97 . 97 MET A C 781 63.09 1.0 ? True False False True 0 0 True -1 False False -1 780 -36.309 -23.561 -0.461 1 ATOM O O . MET A 1 97 . 97 MET A O 782 58.92 1.0 ? True False False True 0 0 True -1 False False -1 781 -36.145 -22.666 -1.288 1 ATOM C CB . MET A 1 97 . 97 MET A CB 783 63.49 1.0 ? True False False True 0 -1 False -1 False False -1 782 -38.723 -23.286 0.21 1 ATOM C CG . MET A 1 97 . 97 MET A CG 784 69.43 1.0 ? True False False True 0 -1 False -1 False False -1 783 -39.283 -24.605 -0.173 1 ATOM S SD . MET A 1 97 . 97 MET A SD 785 83.45 1.0 ? True False False True 0 -1 False -1 False False -1 784 -39.29 -24.774 -1.942 1 ATOM C CE . MET A 1 97 . 97 MET A CE 786 52.45 1.0 ? True True False True 0 -1 False -1 False False -1 785 -40.964 -24.277 -2.225 1 ATOM N N . ILE A 1 98 . 98 ILE A N 787 56.43 1.0 ? True False False True 0 0 True -1 False False -1 786 -35.638 -24.705 -0.477 1 ATOM C CA . ILE A 1 98 . 98 ILE A CA 788 58.0 1.0 ? True False False True 0 0 True -1 False False -1 787 -34.6 -24.97 -1.453 1 ATOM C C . ILE A 1 98 . 98 ILE A C 789 62.64 1.0 ? True False False True 0 0 True -1 False False -1 788 -34.988 -26.167 -2.299 1 ATOM O O . ILE A 1 98 . 98 ILE A O 790 66.83 1.0 ? True False False True 0 0 True -1 False False -1 789 -35.42 -27.197 -1.772 1 ATOM C CB . ILE A 1 98 . 98 ILE A CB 791 60.52 1.0 ? True False False True 0 -1 False -1 False False -1 790 -33.255 -25.277 -0.76 1 ATOM C CG1 . ILE A 1 98 . 98 ILE A CG1 792 63.19 1.0 ? True False False True 0 -1 False -1 False False -1 791 -32.906 -24.188 0.259 1 ATOM C CG2 . ILE A 1 98 . 98 ILE A CG2 793 63.74 1.0 ? True False False True 0 -1 False -1 False False -1 792 -32.148 -25.478 -1.796 1 ATOM C CD1 . ILE A 1 98 . 98 ILE A CD1 794 62.31 1.0 ? True False False True 0 -1 False -1 False False -1 793 -32.247 -22.994 -0.333 1 ATOM N N . SER A 1 99 . 99 SER A N 795 57.21 1.0 ? True False False True 0 0 True -1 False False -1 794 -34.847 -26.025 -3.614 1 ATOM C CA . SER A 1 99 . 99 SER A CA 796 67.19 1.0 ? True False False True 0 0 True -1 False False -1 795 -35.052 -27.136 -4.529 1 ATOM C C . SER A 1 99 . 99 SER A C 797 68.17 1.0 ? True False False True 0 0 True -1 False False -1 796 -33.796 -27.373 -5.357 1 ATOM O O . SER A 1 99 . 99 SER A O 798 63.6 1.0 ? True False False True 0 0 True -1 False False -1 797 -33.34 -26.489 -6.087 1 ATOM C CB . SER A 1 99 . 99 SER A CB 799 59.46 1.0 ? True False False True 0 -1 False -1 False False -1 798 -36.246 -26.897 -5.449 1 ATOM O OG . SER A 1 99 . 99 SER A OG 800 58.5 1.0 ? True False False True 0 -1 False -1 False False -1 799 -36.433 -28.031 -6.28 1 ATOM N N . TYR A 1 100 . 100 TYR A N 801 56.86 1.0 ? True False False True 0 0 True -1 False False -1 800 -33.251 -28.577 -5.24 1 ATOM C CA . TYR A 1 100 . 100 TYR A CA 802 67.91 1.0 ? True False False True 0 0 True -1 False False -1 801 -31.974 -28.91 -5.854 1 ATOM C C . TYR A 1 100 . 100 TYR A C 803 71.47 1.0 ? True False False True 0 0 True -1 False False -1 802 -31.714 -30.401 -5.676 1 ATOM O O . TYR A 1 100 . 100 TYR A O 804 72.74 1.0 ? True False False True 0 0 True -1 False False -1 803 -31.067 -30.809 -4.719 1 ATOM C CB . TYR A 1 100 . 100 TYR A CB 805 70.47 1.0 ? True False False True 0 -1 False -1 False False -1 804 -30.84 -28.086 -5.224 1 ATOM C CG . TYR A 1 100 . 100 TYR A CG 806 73.73 1.0 ? True False False True 0 -1 False -1 False False -1 805 -29.529 -28.166 -5.976 1 ATOM C CD1 . TYR A 1 100 . 100 TYR A CD1 807 69.7 1.0 ? True False False True 0 -1 False -1 False False -1 806 -29.427 -27.698 -7.283 1 ATOM C CD2 . TYR A 1 100 . 100 TYR A CD2 808 73.0 1.0 ? True False False True 0 -1 False -1 False False -1 807 -28.393 -28.709 -5.384 1 ATOM C CE1 . TYR A 1 100 . 100 TYR A CE1 809 77.58 1.0 ? True False False True 0 -1 False -1 False False -1 808 -28.232 -27.78 -7.984 1 ATOM C CE2 . TYR A 1 100 . 100 TYR A CE2 810 74.59 1.0 ? True False False True 0 -1 False -1 False False -1 809 -27.185 -28.79 -6.082 1 ATOM C CZ . TYR A 1 100 . 100 TYR A CZ 811 78.54 1.0 ? True False False True 0 -1 False -1 False False -1 810 -27.116 -28.324 -7.38 1 ATOM O OH . TYR A 1 100 . 100 TYR A OH 812 87.72 1.0 ? True False False True 0 -1 False -1 False False -1 811 -25.933 -28.4 -8.082 1 ATOM N N . GLY A 1 101 . 101 GLY A N 813 71.28 1.0 ? True False False True 0 0 True -1 False False -1 812 -32.232 -31.21 -6.601 1 ATOM C CA . GLY A 1 101 . 101 GLY A CA 814 70.29 1.0 ? True False False True 0 0 True -1 False False -1 813 -32.101 -32.657 -6.526 1 ATOM C C . GLY A 1 101 . 101 GLY A C 815 70.18 1.0 ? True False False True 0 0 True -1 False False -1 814 -32.968 -33.236 -5.419 1 ATOM O O . GLY A 1 101 . 101 GLY A O 816 70.79 1.0 ? True False False True 0 0 True -1 False False -1 815 -32.777 -34.376 -4.982 1 ATOM N N . GLY A 1 102 . 102 GLY A N 817 65.31 1.0 ? True False False True 0 0 True -1 False False -1 816 -33.941 -32.439 -4.988 1 ATOM C CA . GLY A 1 102 . 102 GLY A CA 818 62.65 1.0 ? True False False True 0 0 True -1 False False -1 817 -34.802 -32.744 -3.858 1 ATOM C C . GLY A 1 102 . 102 GLY A C 819 64.92 1.0 ? True False False True 0 0 True -1 False False -1 818 -35.384 -31.43 -3.366 1 ATOM O O . GLY A 1 102 . 102 GLY A O 820 68.22 1.0 ? True False False True 0 0 True -1 False False -1 819 -34.965 -30.362 -3.808 1 ATOM N N . ALA A 1 103 . 103 ALA A N 821 64.61 1.0 ? True False False True 0 0 True -1 False False -1 820 -36.345 -31.493 -2.453 1 ATOM C CA . ALA A 1 103 . 103 ALA A CA 822 56.62 1.0 ? True False False True 0 0 True -1 False False -1 821 -36.94 -30.274 -1.93 1 ATOM C C . ALA A 1 103 . 103 ALA A C 823 64.92 1.0 ? True False False True 0 0 True -1 False False -1 822 -37.161 -30.335 -0.419 1 ATOM O O . ALA A 1 103 . 103 ALA A O 824 62.08 1.0 ? True False False True 0 0 True -1 False False -1 823 -37.625 -31.344 0.112 1 ATOM C CB . ALA A 1 103 . 103 ALA A CB 825 62.54 1.0 ? True False False True 0 -1 False -1 False False -1 824 -38.237 -29.98 -2.644 1 ATOM N N . ASP A 1 104 . 104 ASP A N 826 59.73 1.0 ? True False False True 0 0 True -1 False False -1 825 -36.823 -29.248 0.268 1 ATOM C CA . ASP A 1 104 . 104 ASP A CA 827 62.94 1.0 ? True False False True 0 0 True -1 False False -1 826 -37.04 -29.159 1.709 1 ATOM C C . ASP A 1 104 . 104 ASP A C 828 64.0 1.0 ? True False False True 0 0 True -1 False False -1 827 -37.159 -27.697 2.146 1 ATOM O O . ASP A 1 104 . 104 ASP A O 829 66.3 1.0 ? True False False True 0 0 True -1 False False -1 828 -36.854 -26.774 1.381 1 ATOM C CB . ASP A 1 104 . 104 ASP A CB 830 64.31 1.0 ? True False False True 0 -1 False -1 False False -1 829 -35.915 -29.883 2.469 1 ATOM C CG . ASP A 1 104 . 104 ASP A CG 831 68.7 1.0 ? True False False True 0 -1 False -1 False False -1 830 -36.284 -30.204 3.924 1 ATOM O OD1 . ASP A 1 104 . 104 ASP A OD1 832 70.27 1.0 ? True False False True 0 -1 False -1 False False -1 831 -35.356 -30.371 4.744 1 ATOM O OD2 . ASP A 1 104 . 104 ASP A OD2 833 63.8 1.0 ? True False False True 0 -1 False -1 False False -1 832 -37.49 -30.294 4.249 1 ATOM N N . TYR A 1 105 . 105 TYR A N 834 62.19 1.0 ? True False False True 0 0 True -1 False False -1 833 -37.618 -27.489 3.373 1 ATOM C CA . TYR A 1 105 . 105 TYR A CA 835 65.45 1.0 ? True False False True 0 0 True -1 False False -1 834 -37.778 -26.148 3.9 1 ATOM C C . TYR A 1 105 . 105 TYR A C 836 64.37 1.0 ? True False False True 0 0 True -1 False False -1 835 -37.436 -26.142 5.386 1 ATOM O O . TYR A 1 105 . 105 TYR A O 837 62.58 1.0 ? True False False True 0 0 True -1 False False -1 836 -37.546 -27.167 6.064 1 ATOM C CB . TYR A 1 105 . 105 TYR A CB 838 68.5 1.0 ? True False False True 0 -1 False -1 False False -1 837 -39.22 -25.667 3.703 1 ATOM C CG . TYR A 1 105 . 105 TYR A CG 839 84.61 1.0 ? True False False True 0 -1 False -1 False False -1 838 -40.166 -26.217 4.742 1 ATOM C CD1 . TYR A 1 105 . 105 TYR A CD1 840 93.8 1.0 ? True False False True 0 -1 False -1 False False -1 839 -40.718 -27.487 4.605 1 ATOM C CD2 . TYR A 1 105 . 105 TYR A CD2 841 90.36 1.0 ? True False False True 0 -1 False -1 False False -1 840 -40.49 -25.475 5.88 1 ATOM C CE1 . TYR A 1 105 . 105 TYR A CE1 842 99.98 1.0 ? True False False True 0 -1 False -1 False False -1 841 -41.575 -28.002 5.569 1 ATOM C CE2 . TYR A 1 105 . 105 TYR A CE2 843 98.29 1.0 ? True False False True 0 -1 False -1 False False -1 842 -41.342 -25.979 6.848 1 ATOM C CZ . TYR A 1 105 . 105 TYR A CZ 844 103.17 1.0 ? True True False True 0 -1 False -1 False False -1 843 -41.882 -27.243 6.687 1 ATOM O OH . TYR A 1 105 . 105 TYR A OH 845 109.09 1.0 ? True False False True 0 -1 False -1 False False -1 844 -42.733 -27.746 7.646 1 ATOM N N . LYS A 1 106 . 106 LYS A N 846 52.05 1.0 ? True False False True 0 0 True -1 False False -1 845 -37.01 -24.986 5.878 1 ATOM C CA . LYS A 1 106 . 106 LYS A CA 847 58.77 1.0 ? True False False True 0 0 True -1 False False -1 846 -36.845 -24.766 7.306 1 ATOM C C . LYS A 1 106 . 106 LYS A C 848 66.46 1.0 ? True False False True 0 0 True -1 False False -1 847 -37.375 -23.398 7.737 1 ATOM O O . LYS A 1 106 . 106 LYS A O 849 55.45 1.0 ? True False False True 0 0 True -1 False False -1 848 -37.631 -22.522 6.907 1 ATOM C CB . LYS A 1 106 . 106 LYS A CB 850 63.58 1.0 ? True False False True 0 -1 False -1 False False -1 849 -35.381 -24.914 7.716 1 ATOM C CG . LYS A 1 106 . 106 LYS A CG 851 76.65 1.0 ? True False False True 0 -1 False -1 False False -1 850 -34.947 -26.366 7.868 1 ATOM C CD . LYS A 1 106 . 106 LYS A CD 852 83.99 1.0 ? True False False True 0 -1 False -1 False False -1 851 -35.905 -27.111 8.776 1 ATOM C CE . LYS A 1 106 . 106 LYS A CE 853 92.37 1.0 ? True False False True 0 -1 False -1 False False -1 852 -35.269 -28.37 9.317 1 ATOM N NZ . LYS A 1 106 . 106 LYS A NZ 854 100.03 1.0 +1 True False False True 0 -1 False -1 False False -1 853 -34.154 -28.02 10.241 1 ATOM N N . ARG A 1 107 . 107 ARG A N 855 60.35 1.0 ? True False False True 0 0 True -1 False False -1 854 -37.541 -23.234 9.043 1 ATOM C CA . ARG A 1 107 . 107 ARG A CA 856 52.52 1.0 ? True False False True 0 0 True -1 False False -1 855 -38.035 -21.995 9.603 1 ATOM C C . ARG A 1 107 . 107 ARG A C 857 60.7 1.0 ? True False False True 0 0 True -1 False False -1 856 -36.981 -21.445 10.559 1 ATOM O O . ARG A 1 107 . 107 ARG A O 858 56.55 1.0 ? True False False True 0 0 True -1 False False -1 857 -36.39 -22.195 11.339 1 ATOM C CB . ARG A 1 107 . 107 ARG A CB 859 57.18 1.0 ? True False False True 0 -1 False -1 False False -1 858 -39.358 -22.235 10.339 1 ATOM C CG . ARG A 1 107 . 107 ARG A CG 860 69.55 1.0 ? True False False True 0 -1 False -1 False False -1 859 -40.521 -22.622 9.434 1 ATOM C CD . ARG A 1 107 . 107 ARG A CD 861 83.02 1.0 ? True False False True 0 -1 False -1 False False -1 860 -41.738 -23.109 10.236 1 ATOM N NE . ARG A 1 107 . 107 ARG A NE 862 93.36 1.0 ? True False False True 0 -1 False -1 False False -1 861 -42.564 -22.008 10.729 1 ATOM C CZ . ARG A 1 107 . 107 ARG A CZ 863 101.08 1.0 ? True False False True 0 -1 False -1 False False -1 862 -42.514 -21.513 11.966 1 ATOM N NH1 . ARG A 1 107 . 107 ARG A NH1 864 104.57 1.0 ? True False False True 0 -1 False -1 False False -1 863 -41.671 -22.021 12.86 1 ATOM N NH2 . ARG A 1 107 . 107 ARG A NH2 865 96.94 1.0 +1 True False False True 0 -1 False -1 False False -1 864 -43.309 -20.505 12.315 1 ATOM N N . ILE A 1 108 . 108 ILE A N 866 53.18 1.0 ? True False False True 0 0 True -1 False False -1 865 -36.745 -20.138 10.49 1 ATOM C CA . ILE A 1 108 . 108 ILE A CA 867 56.2 1.0 ? True False False True 0 0 True -1 False False -1 866 -35.757 -19.496 11.338 1 ATOM C C . ILE A 1 108 . 108 ILE A C 868 60.27 1.0 ? True False False True 0 0 True -1 False False -1 867 -36.39 -18.33 12.089 1 ATOM O O . ILE A 1 108 . 108 ILE A O 869 58.0 1.0 ? True False False True 0 0 True -1 False False -1 868 -37.028 -17.468 11.483 1 ATOM C CB . ILE A 1 108 . 108 ILE A CB 870 58.58 1.0 ? True False False True 0 -1 False -1 False False -1 869 -34.571 -18.968 10.509 1 ATOM C CG1 . ILE A 1 108 . 108 ILE A CG1 871 55.53 1.0 ? True False False True 0 -1 False -1 False False -1 870 -33.821 -20.125 9.852 1 ATOM C CG2 . ILE A 1 108 . 108 ILE A CG2 872 56.03 1.0 ? True False False True 0 -1 False -1 False False -1 871 -33.62 -18.169 11.379 1 ATOM C CD1 . ILE A 1 108 . 108 ILE A CD1 873 50.14 1.0 ? True False False True 0 -1 False -1 False False -1 872 -32.784 -19.656 8.85 1 ATOM N N . THR A 1 109 . 109 THR A N 874 51.97 1.0 ? True False False True 0 0 True -1 False False -1 873 -36.229 -18.309 13.409 1 ATOM C CA . THR A 1 109 . 109 THR A CA 875 51.91 1.0 ? True False False True 0 0 True -1 False False -1 874 -36.708 -17.176 14.195 1 ATOM C C . THR A 1 109 . 109 THR A C 876 54.44 1.0 ? True False False True 0 0 True -1 False False -1 875 -35.667 -16.07 14.345 1 ATOM O O . THR A 1 109 . 109 THR A O 877 54.57 1.0 ? True False False True 0 0 True -1 False False -1 876 -34.53 -16.315 14.764 1 ATOM C CB . THR A 1 109 . 109 THR A CB 878 55.8 1.0 ? True False False True 0 -1 False -1 False False -1 877 -37.155 -17.6 15.603 1 ATOM O OG1 . THR A 1 109 . 109 THR A OG1 879 59.98 1.0 ? True False False True 0 -1 False -1 False False -1 878 -38.248 -18.514 15.498 1 ATOM C CG2 . THR A 1 109 . 109 THR A CG2 880 58.45 1.0 ? True False False True 0 -1 False -1 False False -1 879 -37.599 -16.374 16.406 1 ATOM N N . VAL A 1 110 . 110 VAL A N 881 53.01 1.0 ? True False False True 0 0 True -1 False False -1 880 -36.077 -14.844 14.024 1 ATOM C CA . VAL A 1 110 . 110 VAL A CA 882 47.65 1.0 ? True False False True 0 0 True -1 False False -1 881 -35.229 -13.676 14.219 1 ATOM C C . VAL A 1 110 . 110 VAL A C 883 57.45 1.0 ? True False False True 0 0 True -1 False False -1 882 -35.792 -12.766 15.298 1 ATOM O O . VAL A 1 110 . 110 VAL A O 884 54.37 1.0 ? True False False True 0 0 True -1 False False -1 883 -36.984 -12.436 15.304 1 ATOM C CB . VAL A 1 110 . 110 VAL A CB 885 53.19 1.0 ? True False False True 0 -1 False -1 False False -1 884 -35.059 -12.885 12.923 1 ATOM C CG1 . VAL A 1 110 . 110 VAL A CG1 886 61.99 1.0 ? True False False True 0 -1 False -1 False False -1 885 -34.412 -11.52 13.203 1 ATOM C CG2 . VAL A 1 110 . 110 VAL A CG2 887 51.58 1.0 ? True False False True 0 -1 False -1 False False -1 886 -34.23 -13.681 11.923 1 ATOM N N . LYS A 1 111 . 111 LYS A N 888 52.09 1.0 ? True False False True 0 0 True -1 False False -1 887 -34.924 -12.394 16.229 1 ATOM C CA . LYS A 1 111 . 111 LYS A CA 889 56.97 1.0 ? True False False True 0 0 True -1 False False -1 888 -35.28 -11.452 17.269 1 ATOM C C . LYS A 1 111 . 111 LYS A C 890 54.61 1.0 ? True False False True 0 0 True -1 False False -1 889 -34.403 -10.222 17.089 1 ATOM O O . LYS A 1 111 . 111 LYS A O 891 57.3 1.0 ? True False False True 0 0 True -1 False False -1 890 -33.213 -10.326 16.777 1 ATOM C CB . LYS A 1 111 . 111 LYS A CB 892 60.39 1.0 ? True False False True 0 -1 False -1 False False -1 891 -35.07 -12.076 18.651 1 ATOM C CG . LYS A 1 111 . 111 LYS A CG 893 74.86 1.0 ? True False False True 0 -1 False -1 False False -1 892 -35.847 -13.356 18.862 1 ATOM C CD . LYS A 1 111 . 111 LYS A CD 894 86.11 1.0 ? True False False True 0 -1 False -1 False False -1 893 -37.038 -13.142 19.784 1 ATOM C CE . LYS A 1 111 . 111 LYS A CE 895 90.3 1.0 ? True False False True 0 -1 False -1 False False -1 894 -38.172 -14.105 19.45 1 ATOM N NZ . LYS A 1 111 . 111 LYS A NZ 896 91.16 1.0 +1 True False False True 0 -1 False -1 False False -1 895 -38.772 -13.799 18.117 1 ATOM N N . VAL A 1 112 . 112 VAL A N 897 61.56 1.0 ? True False False True 0 0 True -1 False False -1 896 -34.994 -9.05 17.263 1 ATOM C CA . VAL A 1 112 . 112 VAL A CA 898 54.58 1.0 ? True False False True 0 0 True -1 False False -1 897 -34.238 -7.819 17.121 1 ATOM C C . VAL A 1 112 . 112 VAL A C 899 61.05 1.0 ? True False False True 0 0 True -1 False False -1 898 -34.3 -7.015 18.408 1 ATOM O O . VAL A 1 112 . 112 VAL A O 900 59.86 1.0 ? True False False True 0 0 True -1 False False -1 899 -35.379 -6.796 18.963 1 ATOM C CB . VAL A 1 112 . 112 VAL A CB 901 52.65 1.0 ? True False False True 0 -1 False -1 False False -1 900 -34.792 -6.945 15.984 1 ATOM C CG1 . VAL A 1 112 . 112 VAL A CG1 902 50.88 1.0 ? True False False True 0 -1 False -1 False False -1 901 -33.932 -5.705 15.828 1 ATOM C CG2 . VAL A 1 112 . 112 VAL A CG2 903 39.38 1.0 ? True False False True 0 -1 False -1 False False -1 902 -34.869 -7.742 14.655 1 ATOM N N . ASN A 1 113 . 113 ASN A N 904 66.4 1.0 ? True False False True 0 0 True -1 False False -1 903 -33.143 -6.572 18.883 1 ATOM C CA . ASN A 1 113 . 113 ASN A CA 905 70.92 1.0 ? True False False True 0 0 True -1 False False -1 904 -33.109 -5.595 19.962 1 ATOM C C . ASN A 1 113 . 113 ASN A C 906 60.94 1.0 ? True False False True 0 0 True -1 False False -1 905 -32.152 -4.464 19.611 1 ATOM O O . ASN A 1 113 . 113 ASN A O 907 58.79 1.0 ? True False False True 0 0 True -1 False False -1 906 -31.196 -4.657 18.847 1 ATOM C CB . ASN A 1 113 . 113 ASN A CB 908 74.12 1.0 ? True False False True 0 -1 False -1 False False -1 907 -32.686 -6.247 21.281 1 ATOM C CG . ASN A 1 113 . 113 ASN A CG 909 72.27 1.0 ? True False False True 0 -1 False -1 False False -1 908 -31.213 -6.576 21.31 1 ATOM O OD1 . ASN A 1 113 . 113 ASN A OD1 910 67.11 1.0 ? True False False True 0 -1 False -1 False False -1 909 -30.395 -5.782 21.77 1 ATOM N ND2 . ASN A 1 113 . 113 ASN A ND2 911 67.61 1.0 ? True False False True 0 -1 False -1 False False -1 910 -30.861 -7.742 20.794 1 ATOM N N . GLN H 1 1 . 1 GLN H N 1 22.93 1.0 ? True False True True 1 1 False -1 False False -1 911 106.33 42.173 5.312 1 ATOM C CA . GLN H 1 1 . 1 GLN H CA 2 22.62 1.0 ? True False True True 1 1 False -1 False False -1 912 105.319 42.486 4.254 1 ATOM C C . GLN H 1 1 . 1 GLN H C 3 23.54 1.0 ? True False True True 1 1 False -1 False False -1 913 103.928 41.962 4.622 1 ATOM O O . GLN H 1 1 . 1 GLN H O 4 23.27 1.0 ? True False True True 1 1 False -1 False False -1 914 102.912 42.506 4.179 1 ATOM C CB . GLN H 1 1 . 1 GLN H CB 5 22.16 1.0 ? True False False True 1 -1 False -1 False False -1 915 105.805 41.832 2.968 1 ATOM C CG . GLN H 1 1 . 1 GLN H CG 6 22.23 1.0 ? True False False True 1 -1 False -1 False False -1 916 107.259 41.607 3.142 1 ATOM C CD . GLN H 1 1 . 1 GLN H CD 7 22.1 1.0 ? True False False True 1 -1 False -1 False False -1 917 107.548 41.617 4.632 1 ATOM O OE1 . GLN H 1 1 . 1 GLN H OE1 8 21.8 1.0 ? True False False True 1 -1 False -1 False False -1 918 108.685 41.418 5.054 1 ATOM N NE2 . GLN H 1 1 . 1 GLN H NE2 9 nan 0.0 ? True False False True 1 -1 False -1 False False -1 919 nan nan nan 1 ATOM N N . VAL H 1 2 . 2 VAL H N 10 20.61 1.0 ? True False True True 1 1 False -1 False False -1 920 103.887 40.914 5.44 1 ATOM C CA . VAL H 1 2 . 2 VAL H CA 11 20.79 1.0 ? True False True True 1 1 False -1 False False -1 921 102.624 40.303 5.852 1 ATOM C C . VAL H 1 2 . 2 VAL H C 12 21.75 1.0 ? True False True True 1 1 False -1 False False -1 922 102.162 40.758 7.235 1 ATOM O O . VAL H 1 2 . 2 VAL H O 13 20.87 1.0 ? True False True True 1 1 False -1 False False -1 923 102.951 40.804 8.175 1 ATOM C CB . VAL H 1 2 . 2 VAL H CB 14 20.71 1.0 ? True False False True 1 -1 False -1 False False -1 924 102.739 38.763 5.847 1 ATOM C CG1 . VAL H 1 2 . 2 VAL H CG1 15 21.8 1.0 ? True False False True 1 -1 False -1 False False -1 925 101.451 38.13 6.357 1 ATOM C CG2 . VAL H 1 2 . 2 VAL H CG2 16 17.94 1.0 ? True False False True 1 -1 False -1 False False -1 926 103.043 38.279 4.442 1 ATOM N N . GLN H 1 3 . 3 GLN H N 17 18.69 1.0 ? True False True True 1 1 False -1 False False -1 927 100.877 41.089 7.343 1 ATOM C CA . GLN H 1 3 . 3 GLN H CA 18 22.25 1.0 ? True False True True 1 1 False -1 False False -1 928 100.291 41.543 8.6 1 ATOM C C . GLN H 1 3 . 3 GLN H C 19 21.65 1.0 ? True False True True 1 1 False -1 False False -1 929 99.369 40.441 9.128 1 ATOM O O . GLN H 1 3 . 3 GLN H O 20 20.27 1.0 ? True False True True 1 1 False -1 False False -1 930 98.539 39.922 8.385 1 ATOM C CB . GLN H 1 3 . 3 GLN H CB 21 26.41 1.0 ? True False False True 1 -1 False -1 False False -1 931 99.46 42.804 8.359 1 ATOM C CG . GLN H 1 3 . 3 GLN H CG 22 34.76 1.0 ? True False False True 1 -1 False -1 False False -1 932 99.475 43.802 9.495 1 ATOM C CD . GLN H 1 3 . 3 GLN H CD 23 37.4 1.0 ? True False False True 1 -1 False -1 False False -1 933 100.78 44.576 9.545 1 ATOM O OE1 . GLN H 1 3 . 3 GLN H OE1 24 40.65 1.0 ? True False False True 1 -1 False -1 False False -1 934 101.159 45.23 8.569 1 ATOM N NE2 . GLN H 1 3 . 3 GLN H NE2 25 39.29 1.0 ? True False False True 1 -1 False -1 False False -1 935 101.47 44.515 10.679 1 ATOM N N . LEU H 1 4 . 4 LEU H N 26 21.07 1.0 ? True False True True 1 1 False -1 False False -1 936 99.511 40.102 10.408 1 ATOM C CA . LEU H 1 4 . 4 LEU H CA 27 19.95 1.0 ? True False True True 1 1 False -1 False False -1 937 98.692 39.072 11.049 1 ATOM C C . LEU H 1 4 . 4 LEU H C 28 19.67 1.0 ? True False True True 1 1 False -1 False False -1 938 97.951 39.664 12.253 1 ATOM O O . LEU H 1 4 . 4 LEU H O 29 16.86 1.0 ? True False True True 1 1 False -1 False False -1 939 98.554 40.338 13.082 1 ATOM C CB . LEU H 1 4 . 4 LEU H CB 30 20.47 1.0 ? True False False True 1 -1 False -1 False False -1 940 99.577 37.92 11.532 1 ATOM C CG . LEU H 1 4 . 4 LEU H CG 31 20.68 1.0 ? True False False True 1 -1 False -1 False False -1 941 100.4 37.129 10.514 1 ATOM C CD1 . LEU H 1 4 . 4 LEU H CD1 32 23.99 1.0 ? True False False True 1 -1 False -1 False False -1 942 101.287 36.13 11.251 1 ATOM C CD2 . LEU H 1 4 . 4 LEU H CD2 33 18.82 1.0 ? True False False True 1 -1 False -1 False False -1 943 99.469 36.414 9.549 1 ATOM N N . VAL H 1 5 . 5 VAL H N 34 19.82 1.0 ? True False True True 1 1 False -1 False False -1 944 96.65 39.404 12.354 1 ATOM C CA . VAL H 1 5 . 5 VAL H CA 35 17.82 1.0 ? True False True True 1 1 False -1 False False -1 945 95.865 39.932 13.465 1 ATOM C C . VAL H 1 5 . 5 VAL H C 36 18.34 1.0 ? True False True True 1 1 False -1 False False -1 946 94.973 38.878 14.119 1 ATOM O O . VAL H 1 5 . 5 VAL H O 37 14.69 1.0 ? True False True True 1 1 False -1 False False -1 947 94.052 38.352 13.489 1 ATOM C CB . VAL H 1 5 . 5 VAL H CB 38 19.06 1.0 ? True False False True 1 -1 False -1 False False -1 948 94.978 41.103 13.006 1 ATOM C CG1 . VAL H 1 5 . 5 VAL H CG1 39 21.08 1.0 ? True False False True 1 -1 False -1 False False -1 949 94.197 41.656 14.193 1 ATOM C CG2 . VAL H 1 5 . 5 VAL H CG2 40 21.96 1.0 ? True False False True 1 -1 False -1 False False -1 950 95.84 42.193 12.377 1 ATOM N N . GLU H 1 6 . 6 GLU H N 41 18.46 1.0 ? True False True True 1 1 False -1 False False -1 951 95.244 38.58 15.388 1 ATOM C CA . GLU H 1 6 . 6 GLU H CA 42 19.84 1.0 ? True False True True 1 1 False -1 False False -1 952 94.453 37.601 16.121 1 ATOM C C . GLU H 1 6 . 6 GLU H C 43 20.23 1.0 ? True False True True 1 1 False -1 False False -1 953 93.183 38.24 16.673 1 ATOM O O . GLU H 1 6 . 6 GLU H O 44 16.21 1.0 ? True False True True 1 1 False -1 False False -1 954 93.108 39.459 16.843 1 ATOM C CB . GLU H 1 6 . 6 GLU H CB 45 20.89 1.0 ? True False False True 1 -1 False -1 False False -1 955 95.235 37.011 17.308 1 ATOM C CG . GLU H 1 6 . 6 GLU H CG 46 20.0 1.0 ? True False False True 1 -1 False -1 False False -1 956 96.579 36.363 17.001 1 ATOM C CD . GLU H 1 6 . 6 GLU H CD 47 24.52 1.0 ? True False False True 1 -1 False -1 False False -1 957 97.722 37.359 16.913 1 ATOM O OE1 . GLU H 1 6 . 6 GLU H OE1 48 21.62 1.0 ? True False False True 1 -1 False -1 False False -1 958 98.882 36.909 16.8 1 ATOM O OE2 . GLU H 1 6 . 6 GLU H OE2 49 23.34 1.0 ? True False False True 1 -1 False -1 False False -1 959 97.469 38.584 16.957 1 ATOM N N . SER H 1 7 . 7 SER H N 50 17.59 1.0 ? True False True True 1 1 False -1 False False -1 960 92.186 37.404 16.945 1 ATOM C CA . SER H 1 7 . 7 SER H CA 51 19.6 1.0 ? True False True True 1 1 False -1 False False -1 961 90.931 37.854 17.531 1 ATOM C C . SER H 1 7 . 7 SER H C 52 20.23 1.0 ? True False True True 1 1 False -1 False False -1 962 90.255 36.639 18.15 1 ATOM O O . SER H 1 7 . 7 SER H O 53 19.26 1.0 ? True False True True 1 1 False -1 False False -1 963 90.621 35.496 17.85 1 ATOM C CB . SER H 1 7 . 7 SER H CB 54 22.38 1.0 ? True False False True 1 -1 False -1 False False -1 964 90.008 38.493 16.483 1 ATOM O OG . SER H 1 7 . 7 SER H OG 55 26.04 1.0 ? True False False True 1 -1 False -1 False False -1 965 89.604 37.562 15.499 1 ATOM N N . GLY H 1 8 . 8 GLY H N 56 19.7 1.0 ? True False True True 1 1 False -1 False False -1 966 89.295 36.889 19.033 1 ATOM C CA . GLY H 1 8 . 8 GLY H CA 57 20.31 1.0 ? True False True True 1 1 False -1 False False -1 967 88.582 35.804 19.677 1 ATOM C C . GLY H 1 8 . 8 GLY H C 58 18.74 1.0 ? True False True True 1 1 False -1 False False -1 968 88.961 35.535 21.122 1 ATOM O O . GLY H 1 8 . 8 GLY H O 59 20.21 1.0 ? True False True True 1 1 False -1 False False -1 969 88.273 34.787 21.806 1 ATOM N N . GLY H 1 9 . 9 GLY H N 60 19.87 1.0 ? True False True True 1 1 False -1 False False -1 970 90.053 36.131 21.592 1 ATOM C CA . GLY H 1 9 . 9 GLY H CA 61 18.28 1.0 ? True False True True 1 1 False -1 False False -1 971 90.475 35.912 22.965 1 ATOM C C . GLY H 1 9 . 9 GLY H C 62 22.37 1.0 ? True False True True 1 1 False -1 False False -1 972 89.461 36.414 23.974 1 ATOM O O . GLY H 1 9 . 9 GLY H O 63 23.94 1.0 ? True False True True 1 1 False -1 False False -1 973 88.765 37.395 23.729 1 ATOM N N . GLY H 1 10 . 10 GLY H N 64 24.18 1.0 ? True False True True 1 1 False -1 False False -1 974 89.369 35.742 25.115 1 ATOM C CA . GLY H 1 10 . 10 GLY H CA 65 22.33 1.0 ? True False True True 1 1 False -1 False False -1 975 88.423 36.169 26.125 1 ATOM C C . GLY H 1 10 . 10 GLY H C 66 23.37 1.0 ? True False True True 1 1 False -1 False False -1 976 88.432 35.292 27.355 1 ATOM O O . GLY H 1 10 . 10 GLY H O 67 18.77 1.0 ? True False True True 1 1 False -1 False False -1 977 89.288 34.421 27.507 1 ATOM N N . LEU H 1 11 . 11 LEU H N 68 23.26 1.0 ? True False True True 1 1 False -1 False False -1 978 87.468 35.526 28.237 1 ATOM C CA . LEU H 1 11 . 11 LEU H CA 69 23.25 1.0 ? True False True True 1 1 False -1 False False -1 979 87.348 34.762 29.468 1 ATOM C C . LEU H 1 11 . 11 LEU H C 70 23.44 1.0 ? True False True True 1 1 False -1 False False -1 980 86.534 33.505 29.187 1 ATOM O O . LEU H 1 11 . 11 LEU H O 71 24.25 1.0 ? True False True True 1 1 False -1 False False -1 981 85.487 33.567 28.543 1 ATOM C CB . LEU H 1 11 . 11 LEU H CB 72 23.87 1.0 ? True False False True 1 -1 False -1 False False -1 982 86.647 35.606 30.537 1 ATOM C CG . LEU H 1 11 . 11 LEU H CG 73 28.78 1.0 ? True False False True 1 -1 False -1 False False -1 983 86.46 34.967 31.914 1 ATOM C CD1 . LEU H 1 11 . 11 LEU H CD1 74 30.64 1.0 ? True False False True 1 -1 False -1 False False -1 984 87.816 34.773 32.582 1 ATOM C CD2 . LEU H 1 11 . 11 LEU H CD2 75 29.73 1.0 ? True False False True 1 -1 False -1 False False -1 985 85.576 35.86 32.773 1 ATOM N N . VAL H 1 12 . 12 VAL H N 76 24.76 1.0 ? True False True True 1 1 False -1 False False -1 986 87.025 32.366 29.66 1 ATOM C CA . VAL H 1 12 . 12 VAL H CA 77 24.33 1.0 ? True False True True 1 1 False -1 False False -1 987 86.331 31.099 29.465 1 ATOM C C . VAL H 1 12 . 12 VAL H C 78 25.73 1.0 ? True False True True 1 1 False -1 False False -1 988 86.445 30.242 30.718 1 ATOM O O . VAL H 1 12 . 12 VAL H O 79 23.77 1.0 ? True False True True 1 1 False -1 False False -1 989 87.505 30.171 31.341 1 ATOM C CB . VAL H 1 12 . 12 VAL H CB 80 25.95 1.0 ? True False False True 1 -1 False -1 False False -1 990 86.916 30.315 28.274 1 ATOM C CG1 . VAL H 1 12 . 12 VAL H CG1 81 26.51 1.0 ? True False False True 1 -1 False -1 False False -1 991 86.14 29.023 28.079 1 ATOM C CG2 . VAL H 1 12 . 12 VAL H CG2 82 28.37 1.0 ? True False False True 1 -1 False -1 False False -1 992 86.852 31.16 27.014 1 ATOM N N . GLN H 1 13 . 13 GLN H N 83 26.35 1.0 ? True False True True 1 1 False -1 False False -1 993 85.345 29.594 31.083 1 ATOM C CA . GLN H 1 13 . 13 GLN H CA 84 27.01 1.0 ? True False True True 1 1 False -1 False False -1 994 85.305 28.738 32.262 1 ATOM C C . GLN H 1 13 . 13 GLN H C 85 26.24 1.0 ? True False True True 1 1 False -1 False False -1 995 86.081 27.448 32.014 1 ATOM O O . GLN H 1 13 . 13 GLN H O 86 27.0 1.0 ? True False True True 1 1 False -1 False False -1 996 86.061 26.909 30.907 1 ATOM C CB . GLN H 1 13 . 13 GLN H CB 87 32.05 1.0 ? True False False True 1 -1 False -1 False False -1 997 83.844 28.407 32.605 1 ATOM C CG . GLN H 1 13 . 13 GLN H CG 88 39.23 1.0 ? True False False True 1 -1 False -1 False False -1 998 83.002 29.638 32.945 1 ATOM C CD . GLN H 1 13 . 13 GLN H CD 89 45.98 1.0 ? True False False True 1 -1 False -1 False False -1 999 81.518 29.338 33.087 1 ATOM O OE1 . GLN H 1 13 . 13 GLN H OE1 90 51.94 1.0 ? True False False True 1 -1 False -1 False False -1 1000 80.741 30.191 33.528 1 ATOM N NE2 . GLN H 1 13 . 13 GLN H NE2 91 48.9 1.0 ? True False False True 1 -1 False -1 False False -1 1001 81.112 28.132 32.696 1 ATOM N N . PRO H 1 14 . 14 PRO H N 92 26.26 1.0 ? True False True True 1 1 False -1 False False -1 1002 86.81 26.954 33.029 1 ATOM C CA . PRO H 1 14 . 14 PRO H CA 93 25.31 1.0 ? True False True True 1 1 False -1 False False -1 1003 87.55 25.711 32.813 1 ATOM C C . PRO H 1 14 . 14 PRO H C 94 25.52 1.0 ? True False True True 1 1 False -1 False False -1 1004 86.608 24.62 32.297 1 ATOM O O . PRO H 1 14 . 14 PRO H O 95 23.44 1.0 ? True False True True 1 1 False -1 False False -1 1005 85.473 24.484 32.768 1 ATOM C CB . PRO H 1 14 . 14 PRO H CB 96 26.36 1.0 ? True False False True 1 -1 False -1 False False -1 1006 88.13 25.417 34.204 1 ATOM C CG . PRO H 1 14 . 14 PRO H CG 97 28.34 1.0 ? True False False True 1 -1 False -1 False False -1 1007 87.182 26.149 35.136 1 ATOM C CD . PRO H 1 14 . 14 PRO H CD 98 26.88 1.0 ? True False False True 1 -1 False -1 False False -1 1008 87.053 27.448 34.393 1 ATOM N N . GLY H 1 15 . 15 GLY H N 99 26.42 1.0 ? True False True True 1 1 False -1 False False -1 1009 87.082 23.86 31.315 1 ATOM C CA . GLY H 1 15 . 15 GLY H CA 100 23.61 1.0 ? True False True True 1 1 False -1 False False -1 1010 86.271 22.811 30.727 1 ATOM C C . GLY H 1 15 . 15 GLY H C 101 23.08 1.0 ? True False True True 1 1 False -1 False False -1 1011 85.518 23.361 29.531 1 ATOM O O . GLY H 1 15 . 15 GLY H O 102 23.11 1.0 ? True False True True 1 1 False -1 False False -1 1012 84.926 22.615 28.747 1 ATOM N N . GLY H 1 16 . 16 GLY H N 103 21.68 1.0 ? True False True True 1 1 False -1 False False -1 1013 85.549 24.682 29.384 1 ATOM C CA . GLY H 1 16 . 16 GLY H CA 104 20.88 1.0 ? True False True True 1 1 False -1 False False -1 1014 84.855 25.327 28.282 1 ATOM C C . GLY H 1 16 . 16 GLY H C 105 17.47 1.0 ? True False True True 1 1 False -1 False False -1 1015 85.57 25.227 26.944 1 ATOM O O . GLY H 1 16 . 16 GLY H O 106 14.9 1.0 ? True False True True 1 1 False -1 False False -1 1016 86.572 24.524 26.816 1 ATOM N N . SER H 1 17 . 17 SER H N 107 16.44 1.0 ? True False True True 1 1 False -1 False False -1 1017 85.043 25.933 25.946 1 ATOM C CA . SER H 1 17 . 17 SER H CA 108 16.04 1.0 ? True False True True 1 1 False -1 False False -1 1018 85.627 25.938 24.607 1 ATOM C C . SER H 1 17 . 17 SER H C 109 15.58 1.0 ? True False True True 1 1 False -1 False False -1 1019 85.787 27.367 24.117 1 ATOM O O . SER H 1 17 . 17 SER H O 110 16.61 1.0 ? True False True True 1 1 False -1 False False -1 1020 85.182 28.286 24.659 1 ATOM C CB . SER H 1 17 . 17 SER H CB 111 16.03 1.0 ? True False False True 1 -1 False -1 False False -1 1021 84.733 25.182 23.624 1 ATOM O OG . SER H 1 17 . 17 SER H OG 112 16.37 1.0 ? True False False True 1 -1 False -1 False False -1 1022 84.565 23.835 24.015 1 ATOM N N . LEU H 1 18 . 18 LEU H N 113 16.18 1.0 ? True False True True 1 1 False -1 False False -1 1023 86.591 27.547 23.076 1 ATOM C CA . LEU H 1 18 . 18 LEU H CA 114 15.7 1.0 ? True False True True 1 1 False -1 False False -1 1024 86.811 28.871 22.505 1 ATOM C C . LEU H 1 18 . 18 LEU H C 115 14.97 1.0 ? True False True True 1 1 False -1 False False -1 1025 87.516 28.74 21.158 1 ATOM O O . LEU H 1 18 . 18 LEU H O 116 15.28 1.0 ? True False True True 1 1 False -1 False False -1 1026 88.362 27.866 20.969 1 ATOM C CB . LEU H 1 18 . 18 LEU H CB 117 17.79 1.0 ? True False False True 1 -1 False -1 False False -1 1027 87.669 29.722 23.458 1 ATOM C CG . LEU H 1 18 . 18 LEU H CG 118 18.56 1.0 ? True False False True 1 -1 False -1 False False -1 1028 87.905 31.189 23.072 1 ATOM C CD1 . LEU H 1 18 . 18 LEU H CD1 119 16.88 1.0 ? True False False True 1 -1 False -1 False False -1 1029 86.581 31.953 23.085 1 ATOM C CD2 . LEU H 1 18 . 18 LEU H CD2 120 19.44 1.0 ? True False False True 1 -1 False -1 False False -1 1030 88.877 31.827 24.054 1 ATOM N N . ARG H 1 19 . 19 ARG H N 121 12.9 1.0 ? True False True True 1 1 False -1 False False -1 1031 87.173 29.597 20.233 1 ATOM C CA . ARG H 1 19 . 19 ARG H CA 122 15.82 1.0 ? True False True True 1 1 False -1 False False -1 1032 87.833 29.593 18.921 1 ATOM C C . ARG H 1 19 . 19 ARG H C 123 16.29 1.0 ? True False True True 1 1 False -1 False False -1 1033 88.525 30.928 18.698 1 ATOM O O . ARG H 1 19 . 19 ARG H O 124 16.08 1.0 ? True False True True 1 1 False -1 False False -1 1034 87.957 31.997 18.954 1 ATOM C CB . ARG H 1 19 . 19 ARG H CB 125 22.31 1.0 ? True False False True 1 -1 False -1 False False -1 1035 86.783 29.356 17.852 1 ATOM C CG . ARG H 1 19 . 19 ARG H CG 126 29.42 1.0 ? True False False True 1 -1 False -1 False False -1 1036 87.249 29.506 16.407 1 ATOM C CD . ARG H 1 19 . 19 ARG H CD 127 36.06 1.0 ? True False False True 1 -1 False -1 False False -1 1037 86.089 30.06 15.627 1 ATOM N NE . ARG H 1 19 . 19 ARG H NE 128 45.33 1.0 ? True False False True 1 -1 False -1 False False -1 1038 86.106 29.9 14.226 1 ATOM C CZ . ARG H 1 19 . 19 ARG H CZ 129 47.35 1.0 ? True False False True 1 -1 False -1 False False -1 1039 85.386 30.654 13.385 1 ATOM N NH1 . ARG H 1 19 . 19 ARG H NH1 130 51.96 1.0 ? True False False True 1 -1 False -1 False False -1 1040 84.617 31.72 13.788 1 ATOM N NH2 . ARG H 1 19 . 19 ARG H NH2 131 52.52 1.0 +1 True False False True 1 -1 False -1 False False -1 1041 85.318 30.379 12.122 1 ATOM N N . LEU H 1 20 . 20 LEU H N 132 13.08 1.0 ? True False True True 1 1 False -1 False False -1 1042 89.744 30.827 18.234 1 ATOM C CA . LEU H 1 20 . 20 LEU H CA 133 14.54 1.0 ? True False True True 1 1 False -1 False False -1 1043 90.567 31.997 17.934 1 ATOM C C . LEU H 1 20 . 20 LEU H C 134 15.68 1.0 ? True False True True 1 1 False -1 False False -1 1044 90.766 32.084 16.426 1 ATOM O O . LEU H 1 20 . 20 LEU H O 135 14.62 1.0 ? True False True True 1 1 False -1 False False -1 1045 90.823 31.05 15.737 1 ATOM C CB . LEU H 1 20 . 20 LEU H CB 136 12.99 1.0 ? True False False True 1 -1 False -1 False False -1 1046 91.95 31.899 18.59 1 ATOM C CG . LEU H 1 20 . 20 LEU H CG 137 17.01 1.0 ? True False False True 1 -1 False -1 False False -1 1047 91.944 31.757 20.113 1 ATOM C CD1 . LEU H 1 20 . 20 LEU H CD1 138 18.5 1.0 ? True False False True 1 -1 False -1 False False -1 1048 93.365 31.611 20.673 1 ATOM C CD2 . LEU H 1 20 . 20 LEU H CD2 139 17.12 1.0 ? True False False True 1 -1 False -1 False False -1 1049 91.319 32.958 20.837 1 ATOM N N . SER H 1 21 . 21 SER H N 140 16.49 1.0 ? True False True True 1 1 False -1 False False -1 1050 90.891 33.273 15.898 1 ATOM C CA . SER H 1 21 . 21 SER H CA 141 16.76 1.0 ? True False True True 1 1 False -1 False False -1 1051 91.13 33.442 14.479 1 ATOM C C . SER H 1 21 . 21 SER H C 142 17.86 1.0 ? True False True True 1 1 False -1 False False -1 1052 92.346 34.346 14.289 1 ATOM O O . SER H 1 21 . 21 SER H O 143 16.33 1.0 ? True False True True 1 1 False -1 False False -1 1053 92.791 35.018 15.222 1 ATOM C CB . SER H 1 21 . 21 SER H CB 144 18.45 1.0 ? True False False True 1 -1 False -1 False False -1 1054 89.911 34.066 13.798 1 ATOM O OG . SER H 1 21 . 21 SER H OG 145 20.68 1.0 ? True False False True 1 -1 False -1 False False -1 1055 89.716 35.39 14.257 1 ATOM N N . CYS H 1 22 . 22 CYS H N 146 16.81 1.0 ? True False True True 1 1 False -1 False False -1 1056 92.884 34.334 13.077 1 ATOM C CA . CYS H 1 22 . 22 CYS H CA 147 19.08 1.0 ? True False True True 1 1 False -1 False False -1 1057 94.042 35.141 12.719 1 ATOM C C . CYS H 1 22 . 22 CYS H C 148 20.43 1.0 ? True False True True 1 1 False -1 False False -1 1058 93.938 35.46 11.239 1 ATOM O O . CYS H 1 22 . 22 CYS H O 149 21.69 1.0 ? True False True True 1 1 False -1 False False -1 1059 94.086 34.575 10.395 1 ATOM C CB . CYS H 1 22 . 22 CYS H CB 150 21.78 1.0 ? True False False True 1 -1 False -1 False False -1 1060 95.344 34.379 13.002 1 ATOM S SG . CYS H 1 22 . 22 CYS H SG 151 23.61 1.0 ? True False False True 1 -1 False -1 False False -1 1061 96.85 35.154 12.309 1 HETATM X UNK . 11-16 H 1 23 . 23 11-16 H UNK 152 nan 0.0 ? True False False False 1 -1 False 16 True True 11 1062 nan nan nan 1 ATOM N N . TRP H 1 24 . 24 TRP H N 153 14.52 1.0 ? True False True True 1 1 False -1 False False -1 1063 100.333 28.375 15.812 1 ATOM C CA . TRP H 1 24 . 24 TRP H CA 154 13.03 1.0 ? True False True True 1 1 False -1 False False -1 1064 99.823 29.09 16.958 1 ATOM C C . TRP H 1 24 . 24 TRP H C 155 14.05 1.0 ? True False True True 1 1 False -1 False False -1 1065 100.8 28.844 18.097 1 ATOM O O . TRP H 1 24 . 24 TRP H O 156 14.48 1.0 ? True False True True 1 1 False -1 False False -1 1066 101.257 27.718 18.306 1 ATOM C CB . TRP H 1 24 . 24 TRP H CB 157 10.21 1.0 ? True False False True 1 -1 False -1 False False -1 1067 98.431 28.597 17.378 1 ATOM C CG . TRP H 1 24 . 24 TRP H CG 158 9.19 1.0 ? True False False True 1 -1 False -1 False False -1 1068 97.286 29.053 16.505 1 ATOM C CD1 . TRP H 1 24 . 24 TRP H CD1 159 9.59 1.0 ? True False False True 1 -1 False -1 False False -1 1069 96.687 28.354 15.498 1 ATOM C CD2 . TRP H 1 24 . 24 TRP H CD2 160 7.92 1.0 ? True False False True 1 -1 False -1 False False -1 1070 96.597 30.308 16.588 1 ATOM N NE1 . TRP H 1 24 . 24 TRP H NE1 161 13.38 1.0 ? True False False True 1 -1 False -1 False False -1 1071 95.661 29.096 14.948 1 ATOM C CE2 . TRP H 1 24 . 24 TRP H CE2 162 8.17 1.0 ? True False False True 1 -1 False -1 False False -1 1072 95.586 30.298 15.6 1 ATOM C CE3 . TRP H 1 24 . 24 TRP H CE3 163 12.05 1.0 ? True False False True 1 -1 False -1 False False -1 1073 96.737 31.442 17.403 1 ATOM C CZ2 . TRP H 1 24 . 24 TRP H CZ2 164 10.56 1.0 ? True False False True 1 -1 False -1 False False -1 1074 94.718 31.381 15.402 1 ATOM C CZ3 . TRP H 1 24 . 24 TRP H CZ3 165 8.83 1.0 ? True False False True 1 -1 False -1 False False -1 1075 95.87 32.521 17.209 1 ATOM C CH2 . TRP H 1 24 . 24 TRP H CH2 166 7.17 1.0 ? True False False True 1 -1 False -1 False False -1 1076 94.873 32.479 16.215 1 ATOM N N . PHE H 1 25 . 25 PHE H N 167 12.35 1.0 ? True False True True 1 1 False -1 False False -1 1077 101.132 29.909 18.813 1 ATOM C CA . PHE H 1 25 . 25 PHE H CA 168 13.72 1.0 ? True False True True 1 1 False -1 False False -1 1078 102.029 29.829 19.958 1 ATOM C C . PHE H 1 25 . 25 PHE H C 169 12.77 1.0 ? True False True True 1 1 False -1 False False -1 1079 101.311 30.525 21.104 1 ATOM O O . PHE H 1 25 . 25 PHE H O 170 12.74 1.0 ? True False True True 1 1 False -1 False False -1 1080 100.316 31.215 20.89 1 ATOM C CB . PHE H 1 25 . 25 PHE H CB 171 12.84 1.0 ? True False False True 1 -1 False -1 False False -1 1081 103.356 30.549 19.684 1 ATOM C CG . PHE H 1 25 . 25 PHE H CG 172 11.89 1.0 ? True False False True 1 -1 False -1 False False -1 1082 104.245 29.847 18.694 1 ATOM C CD1 . PHE H 1 25 . 25 PHE H CD1 173 14.29 1.0 ? True False False True 1 -1 False -1 False False -1 1083 103.941 29.839 17.334 1 ATOM C CD2 . PHE H 1 25 . 25 PHE H CD2 174 13.18 1.0 ? True False False True 1 -1 False -1 False False -1 1084 105.386 29.179 19.127 1 ATOM C CE1 . PHE H 1 25 . 25 PHE H CE1 175 11.62 1.0 ? True False False True 1 -1 False -1 False False -1 1085 104.764 29.174 16.419 1 ATOM C CE2 . PHE H 1 25 . 25 PHE H CE2 176 11.75 1.0 ? True False False True 1 -1 False -1 False False -1 1086 106.216 28.509 18.218 1 ATOM C CZ . PHE H 1 25 . 25 PHE H CZ 177 12.14 1.0 ? True False False True 1 -1 False -1 False False -1 1087 105.901 28.509 16.866 1 ATOM N N . ARG H 1 26 . 26 ARG H N 178 13.38 1.0 ? True False True True 1 1 False -1 False False -1 1088 101.798 30.337 22.32 1 ATOM C CA . ARG H 1 26 . 26 ARG H CA 179 13.48 1.0 ? True False True True 1 1 False -1 False False -1 1089 101.176 30.99 23.46 1 ATOM C C . ARG H 1 26 . 26 ARG H C 180 15.05 1.0 ? True False True True 1 1 False -1 False False -1 1090 102.219 31.243 24.526 1 ATOM O O . ARG H 1 26 . 26 ARG H O 181 15.76 1.0 ? True False True True 1 1 False -1 False False -1 1091 103.211 30.522 24.618 1 ATOM C CB . ARG H 1 26 . 26 ARG H CB 182 10.9 1.0 ? True False False True 1 -1 False -1 False False -1 1092 100.05 30.122 24.038 1 ATOM C CG . ARG H 1 26 . 26 ARG H CG 183 12.47 1.0 ? True False False True 1 -1 False -1 False False -1 1093 100.518 28.79 24.611 1 ATOM C CD . ARG H 1 26 . 26 ARG H CD 184 16.91 1.0 ? True False False True 1 -1 False -1 False False -1 1094 99.343 27.968 25.127 1 ATOM N NE . ARG H 1 26 . 26 ARG H NE 185 15.34 1.0 ? True False False True 1 -1 False -1 False False -1 1095 99.777 26.731 25.768 1 ATOM C CZ . ARG H 1 26 . 26 ARG H CZ 186 20.95 1.0 ? True False False True 1 -1 False -1 False False -1 1096 98.945 25.834 26.29 1 ATOM N NH1 . ARG H 1 26 . 26 ARG H NH1 187 16.35 1.0 ? True False False True 1 -1 False -1 False False -1 1097 97.635 26.036 26.244 1 ATOM N NH2 . ARG H 1 26 . 26 ARG H NH2 188 16.31 1.0 +1 True False False True 1 -1 False -1 False False -1 1098 99.422 24.742 26.871 1 ATOM N N . GLN H 1 27 . 27 GLN H N 189 14.75 1.0 ? True False True True 1 1 False -1 False False -1 1099 101.995 32.28 25.324 1 ATOM C CA . GLN H 1 27 . 27 GLN H CA 190 15.64 1.0 ? True False True True 1 1 False -1 False False -1 1100 102.907 32.612 26.402 1 ATOM C C . GLN H 1 27 . 27 GLN H C 191 17.41 1.0 ? True False True True 1 1 False -1 False False -1 1101 102.089 32.908 27.643 1 ATOM O O . GLN H 1 27 . 27 GLN H O 192 15.41 1.0 ? True False True True 1 1 False -1 False False -1 1102 101.37 33.913 27.709 1 ATOM C CB . GLN H 1 27 . 27 GLN H CB 193 18.04 1.0 ? True False False True 1 -1 False -1 False False -1 1103 103.768 33.831 26.036 1 ATOM C CG . GLN H 1 27 . 27 GLN H CG 194 20.65 1.0 ? True False False True 1 -1 False -1 False False -1 1104 104.817 34.197 27.082 1 ATOM C CD . GLN H 1 27 . 27 GLN H CD 195 28.51 1.0 ? True False False True 1 -1 False -1 False False -1 1105 105.76 35.296 26.601 1 ATOM O OE1 . GLN H 1 27 . 27 GLN H OE1 196 35.36 1.0 ? True False False True 1 -1 False -1 False False -1 1106 105.346 36.232 25.91 1 ATOM N NE2 . GLN H 1 27 . 27 GLN H NE2 197 32.03 1.0 ? True False False True 1 -1 False -1 False False -1 1107 107.025 35.19 26.97 1 ATOM N N . ALA H 1 28 . 28 ALA H N 198 15.09 1.0 ? True False True True 1 1 False -1 False False -1 1108 102.175 32.005 28.612 1 ATOM C CA . ALA H 1 28 . 28 ALA H CA 199 16.85 1.0 ? True False True True 1 1 False -1 False False -1 1109 101.47 32.176 29.868 1 ATOM C C . ALA H 1 28 . 28 ALA H C 200 16.42 1.0 ? True False True True 1 1 False -1 False False -1 1110 102.286 33.192 30.663 1 ATOM O O . ALA H 1 28 . 28 ALA H O 201 18.84 1.0 ? True False True True 1 1 False -1 False False -1 1111 103.49 33.326 30.453 1 ATOM C CB . ALA H 1 28 . 28 ALA H CB 202 14.4 1.0 ? True False False True 1 -1 False -1 False False -1 1112 101.395 30.855 30.606 1 ATOM N N . PRO H 1 29 . 29 PRO H N 203 17.63 1.0 ? True False True True 1 1 False -1 False False -1 1113 101.643 33.921 31.587 1 ATOM C CA . PRO H 1 29 . 29 PRO H CA 204 18.08 1.0 ? True False True True 1 1 False -1 False False -1 1114 102.327 34.928 32.404 1 ATOM C C . PRO H 1 29 . 29 PRO H C 205 19.3 1.0 ? True False True True 1 1 False -1 False False -1 1115 103.575 34.437 33.139 1 ATOM O O . PRO H 1 29 . 29 PRO H O 206 18.26 1.0 ? True False True True 1 1 False -1 False False -1 1116 103.519 33.495 33.933 1 ATOM C CB . PRO H 1 29 . 29 PRO H CB 207 19.18 1.0 ? True False False True 1 -1 False -1 False False -1 1117 101.218 35.398 33.35 1 ATOM C CG . PRO H 1 29 . 29 PRO H CG 208 21.5 1.0 ? True False False True 1 -1 False -1 False False -1 1118 100.302 34.185 33.419 1 ATOM C CD . PRO H 1 29 . 29 PRO H CD 209 14.37 1.0 ? True False False True 1 -1 False -1 False False -1 1119 100.221 33.861 31.958 1 ATOM N N . GLY H 1 30 . 30 GLY H N 210 18.92 1.0 ? True False True True 1 1 False -1 False False -1 1120 104.704 35.082 32.856 1 ATOM C CA . GLY H 1 30 . 30 GLY H CA 211 22.0 1.0 ? True False True True 1 1 False -1 False False -1 1121 105.956 34.718 33.503 1 ATOM C C . GLY H 1 30 . 30 GLY H C 212 20.2 1.0 ? True False True True 1 1 False -1 False False -1 1122 106.663 33.507 32.917 1 ATOM O O . GLY H 1 30 . 30 GLY H O 213 21.73 1.0 ? True False True True 1 1 False -1 False False -1 1123 107.723 33.105 33.401 1 ATOM N N . GLN H 1 31 . 31 GLN H N 214 16.94 1.0 ? True False True True 1 1 False -1 False False -1 1124 106.092 32.927 31.871 1 ATOM C CA . GLN H 1 31 . 31 GLN H CA 215 17.71 1.0 ? True False True True 1 1 False -1 False False -1 1125 106.681 31.752 31.249 1 ATOM C C . GLN H 1 31 . 31 GLN H C 216 16.41 1.0 ? True False True True 1 1 False -1 False False -1 1126 107.256 32.039 29.872 1 ATOM O O . GLN H 1 31 . 31 GLN H O 217 18.3 1.0 ? True False True True 1 1 False -1 False False -1 1127 107.302 33.185 29.444 1 ATOM C CB . GLN H 1 31 . 31 GLN H CB 218 23.11 1.0 ? True False False True 1 -1 False -1 False False -1 1128 105.639 30.637 31.153 1 ATOM C CG . GLN H 1 31 . 31 GLN H CG 219 32.89 1.0 ? True False False True 1 -1 False -1 False False -1 1129 105.994 29.426 31.981 1 ATOM C CD . GLN H 1 31 . 31 GLN H CD 220 34.19 1.0 ? True False False True 1 -1 False -1 False False -1 1130 106.032 29.722 33.457 1 ATOM O OE1 . GLN H 1 31 . 31 GLN H OE1 221 42.41 1.0 ? True False False True 1 -1 False -1 False False -1 1131 106.545 28.927 34.242 1 ATOM N NE2 . GLN H 1 31 . 31 GLN H NE2 222 35.22 1.0 ? True False False True 1 -1 False -1 False False -1 1132 105.476 30.866 33.85 1 ATOM N N . GLY H 1 32 . 32 GLY H N 223 16.79 1.0 ? True False True True 1 1 False -1 False False -1 1133 107.684 30.987 29.178 1 ATOM C CA . GLY H 1 32 . 32 GLY H CA 224 16.66 1.0 ? True False True True 1 1 False -1 False False -1 1134 108.259 31.154 27.854 1 ATOM C C . GLY H 1 32 . 32 GLY H C 225 16.66 1.0 ? True False True True 1 1 False -1 False False -1 1135 107.278 30.91 26.722 1 ATOM O O . GLY H 1 32 . 32 GLY H O 226 15.96 1.0 ? True False True True 1 1 False -1 False False -1 1136 106.181 30.397 26.94 1 ATOM N N . LEU H 1 33 . 33 LEU H N 227 19.83 1.0 ? True False True True 1 1 False -1 False False -1 1137 107.674 31.285 25.508 1 ATOM C CA . LEU H 1 33 . 33 LEU H CA 228 18.4 1.0 ? True False True True 1 1 False -1 False False -1 1138 106.827 31.101 24.329 1 ATOM C C . LEU H 1 33 . 33 LEU H C 229 18.6 1.0 ? True False True True 1 1 False -1 False False -1 1139 106.724 29.607 24.031 1 ATOM O O . LEU H 1 33 . 33 LEU H O 230 18.53 1.0 ? True False True True 1 1 False -1 False False -1 1140 107.735 28.913 23.931 1 ATOM C CB . LEU H 1 33 . 33 LEU H CB 231 17.64 1.0 ? True False False True 1 -1 False -1 False False -1 1141 107.424 31.849 23.132 1 ATOM C CG . LEU H 1 33 . 33 LEU H CG 232 17.79 1.0 ? True False False True 1 -1 False -1 False False -1 1142 106.596 31.906 21.847 1 ATOM C CD1 . LEU H 1 33 . 33 LEU H CD1 233 17.89 1.0 ? True False False True 1 -1 False -1 False False -1 1143 105.274 32.617 22.115 1 ATOM C CD2 . LEU H 1 33 . 33 LEU H CD2 234 19.68 1.0 ? True False False True 1 -1 False -1 False False -1 1144 107.376 32.639 20.764 1 ATOM N N . GLU H 1 34 . 34 GLU H N 235 17.11 1.0 ? True False True True 1 1 False -1 False False -1 1145 105.497 29.117 23.898 1 ATOM C CA . GLU H 1 34 . 34 GLU H CA 236 17.0 1.0 ? True False True True 1 1 False -1 False False -1 1146 105.253 27.702 23.651 1 ATOM C C . GLU H 1 34 . 34 GLU H C 237 16.94 1.0 ? True False True True 1 1 False -1 False False -1 1147 104.489 27.429 22.354 1 ATOM O O . GLU H 1 34 . 34 GLU H O 238 15.36 1.0 ? True False True True 1 1 False -1 False False -1 1148 103.46 28.05 22.082 1 ATOM C CB . GLU H 1 34 . 34 GLU H CB 239 18.64 1.0 ? True False False True 1 -1 False -1 False False -1 1149 104.49 27.113 24.851 1 ATOM C CG . GLU H 1 34 . 34 GLU H CG 240 19.28 1.0 ? True False False True 1 -1 False -1 False False -1 1150 103.828 25.759 24.612 1 ATOM C CD . GLU H 1 34 . 34 GLU H CD 241 26.7 1.0 ? True False False True 1 -1 False -1 False False -1 1151 103.148 25.199 25.861 1 ATOM O OE1 . GLU H 1 34 . 34 GLU H OE1 242 24.1 1.0 ? True False False True 1 -1 False -1 False False -1 1152 102.435 25.959 26.553 1 ATOM O OE2 . GLU H 1 34 . 34 GLU H OE2 243 26.65 1.0 ? True False False True 1 -1 False -1 False False -1 1153 103.309 23.988 26.146 1 ATOM N N . ALA H 1 35 . 35 ALA H N 244 15.13 1.0 ? True False True True 1 1 False -1 False False -1 1154 105.008 26.503 21.55 1 ATOM C CA . ALA H 1 35 . 35 ALA H CA 245 15.89 1.0 ? True False True True 1 1 False -1 False False -1 1155 104.346 26.133 20.305 1 ATOM C C . ALA H 1 35 . 35 ALA H C 246 13.68 1.0 ? True False True True 1 1 False -1 False False -1 1156 103.107 25.314 20.682 1 ATOM O O . ALA H 1 35 . 35 ALA H O 247 16.46 1.0 ? True False True True 1 1 False -1 False False -1 1157 103.201 24.366 21.46 1 ATOM C CB . ALA H 1 35 . 35 ALA H CB 248 15.11 1.0 ? True False False True 1 -1 False -1 False False -1 1158 105.291 25.297 19.428 1 ATOM N N . VAL H 1 36 . 36 VAL H N 249 13.58 1.0 ? True False True True 1 1 False -1 False False -1 1159 101.957 25.672 20.119 1 ATOM C CA . VAL H 1 36 . 36 VAL H CA 250 13.03 1.0 ? True False True True 1 1 False -1 False False -1 1160 100.7 24.979 20.408 1 ATOM C C . VAL H 1 36 . 36 VAL H C 251 13.24 1.0 ? True False True True 1 1 False -1 False False -1 1161 100.257 24.045 19.284 1 ATOM O O . VAL H 1 36 . 36 VAL H O 252 12.4 1.0 ? True False True True 1 1 False -1 False False -1 1162 99.956 22.87 19.52 1 ATOM C CB . VAL H 1 36 . 36 VAL H CB 253 13.93 1.0 ? True False False True 1 -1 False -1 False False -1 1163 99.567 26.007 20.686 1 ATOM C CG1 . VAL H 1 36 . 36 VAL H CG1 254 8.44 1.0 ? True False False True 1 -1 False -1 False False -1 1164 98.229 25.295 20.873 1 ATOM C CG2 . VAL H 1 36 . 36 VAL H CG2 255 9.64 1.0 ? True False False True 1 -1 False -1 False False -1 1165 99.924 26.832 21.923 1 ATOM N N . ALA H 1 37 . 37 ALA H N 256 13.22 1.0 ? True False True True 1 1 False -1 False False -1 1166 100.206 24.58 18.069 1 ATOM C CA . ALA H 1 37 . 37 ALA H CA 257 14.17 1.0 ? True False True True 1 1 False -1 False False -1 1167 99.801 23.81 16.9 1 ATOM C C . ALA H 1 37 . 37 ALA H C 258 14.58 1.0 ? True False True True 1 1 False -1 False False -1 1168 100.342 24.478 15.648 1 ATOM O O . ALA H 1 37 . 37 ALA H O 259 15.76 1.0 ? True False True True 1 1 False -1 False False -1 1169 100.588 25.684 15.637 1 ATOM C CB . ALA H 1 37 . 37 ALA H CB 260 10.22 1.0 ? True False False True 1 -1 False -1 False False -1 1170 98.272 23.721 16.83 1 HETATM X UNK . 8-12 H 1 38 . 38 8-12 H UNK 261 nan 0.0 ? True False False False 1 -1 False 12 True True 8 1171 nan nan nan 1 ATOM N N . TYR H 1 39 . 39 TYR H N 262 11.71 1.0 ? True False True True 1 1 False -1 False False -1 1172 100.805 19.097 16.834 1 ATOM C CA . TYR H 1 39 . 39 TYR H CA 263 14.46 1.0 ? True False True True 1 1 False -1 False False -1 1173 100.295 19.652 18.098 1 ATOM C C . TYR H 1 39 . 39 TYR H C 264 15.47 1.0 ? True False True True 1 1 False -1 False False -1 1174 101.183 19.269 19.283 1 ATOM O O . TYR H 1 39 . 39 TYR H O 265 16.02 1.0 ? True False True True 1 1 False -1 False False -1 1175 101.855 18.231 19.276 1 ATOM C CB . TYR H 1 39 . 39 TYR H CB 266 13.76 1.0 ? True False False True 1 -1 False -1 False False -1 1176 98.892 19.105 18.411 1 ATOM C CG . TYR H 1 39 . 39 TYR H CG 267 12.91 1.0 ? True False False True 1 -1 False -1 False False -1 1177 97.825 19.421 17.359 1 ATOM C CD1 . TYR H 1 39 . 39 TYR H CD1 268 15.69 1.0 ? True False False True 1 -1 False -1 False False -1 1178 97.603 18.539 16.294 1 ATOM C CD2 . TYR H 1 39 . 39 TYR H CD2 269 13.14 1.0 ? True False False True 1 -1 False -1 False False -1 1179 97.063 20.588 17.464 1 ATOM C CE1 . TYR H 1 39 . 39 TYR H CE1 270 11.26 1.0 ? True False False True 1 -1 False -1 False False -1 1180 96.611 18.823 15.345 1 ATOM C CE2 . TYR H 1 39 . 39 TYR H CE2 271 9.45 1.0 ? True False False True 1 -1 False -1 False False -1 1181 96.073 20.868 16.518 1 ATOM C CZ . TYR H 1 39 . 39 TYR H CZ 272 12.56 1.0 ? True False False True 1 -1 False -1 False False -1 1182 95.845 19.987 15.463 1 ATOM O OH . TYR H 1 39 . 39 TYR H OH 273 13.54 1.0 ? True False False True 1 -1 False -1 False False -1 1183 94.868 20.262 14.557 1 ATOM N N . ALA H 1 40 . 40 ALA H N 274 18.22 1.0 ? True False True True 1 1 False -1 False False -1 1184 101.171 20.129 20.29 1 ATOM C CA . ALA H 1 40 . 40 ALA H CA 275 18.52 1.0 ? True False True True 1 1 False -1 False False -1 1185 101.909 19.869 21.527 1 ATOM C C . ALA H 1 40 . 40 ALA H C 276 17.81 1.0 ? True False True True 1 1 False -1 False False -1 1186 101.143 18.754 22.216 1 ATOM O O . ALA H 1 40 . 40 ALA H O 277 14.84 1.0 ? True False True True 1 1 False -1 False False -1 1187 99.917 18.683 22.11 1 ATOM C CB . ALA H 1 40 . 40 ALA H CB 278 18.85 1.0 ? True False False True 1 -1 False -1 False False -1 1188 101.947 21.127 22.397 1 ATOM N N . ASP H 1 41 . 41 ASP H N 279 17.4 1.0 ? True False True True 1 1 False -1 False False -1 1189 101.842 17.889 22.908 1 ATOM C CA . ASP H 1 41 . 41 ASP H CA 280 20.33 1.0 ? True False True True 1 1 False -1 False False -1 1190 101.186 16.754 23.578 1 ATOM C C . ASP H 1 41 . 41 ASP H C 281 17.52 1.0 ? True False True True 1 1 False -1 False False -1 1191 100.102 17.205 24.562 1 ATOM O O . ASP H 1 41 . 41 ASP H O 282 19.68 1.0 ? True False True True 1 1 False -1 False False -1 1192 99.121 16.496 24.79 1 ATOM C CB . ASP H 1 41 . 41 ASP H CB 283 23.34 1.0 ? True False False True 1 -1 False -1 False False -1 1193 102.181 15.918 24.38 1 ATOM C CG . ASP H 1 41 . 41 ASP H CG 284 27.41 1.0 ? True False False True 1 -1 False -1 False False -1 1194 103.154 15.151 23.507 1 ATOM O OD1 . ASP H 1 41 . 41 ASP H OD1 285 33.7 1.0 ? True False False True 1 -1 False -1 False False -1 1195 102.838 14.863 22.297 1 ATOM O OD2 . ASP H 1 41 . 41 ASP H OD2 286 33.86 1.0 ? True False False True 1 -1 False -1 False False -1 1196 104.287 14.796 23.987 1 ATOM N N . SER H 1 42 . 42 SER H N 287 15.41 1.0 ? True False True True 1 1 False -1 False False -1 1197 100.279 18.38 25.135 1 ATOM C CA . SER H 1 42 . 42 SER H CA 288 17.4 1.0 ? True False True True 1 1 False -1 False False -1 1198 99.332 18.884 26.149 1 ATOM C C . SER H 1 42 . 42 SER H C 289 16.37 1.0 ? True False True True 1 1 False -1 False False -1 1199 98.005 19.396 25.554 1 ATOM O O . SER H 1 42 . 42 SER H O 290 15.24 1.0 ? True False True True 1 1 False -1 False False -1 1200 97.044 19.654 26.286 1 ATOM C CB . SER H 1 42 . 42 SER H CB 291 14.23 1.0 ? True False False True 1 -1 False -1 False False -1 1201 99.955 20.022 26.962 1 ATOM O OG . SER H 1 42 . 42 SER H OG 292 19.77 1.0 ? True False False True 1 -1 False -1 False False -1 1202 100.244 21.131 26.136 1 ATOM N N . VAL H 1 43 . 43 VAL H N 293 18.3 1.0 ? True False True True 1 1 False -1 False False -1 1203 97.934 19.545 24.24 1 ATOM C CA . VAL H 1 43 . 43 VAL H CA 294 18.51 1.0 ? True False True True 1 1 False -1 False False -1 1204 96.682 20.016 23.605 1 ATOM C C . VAL H 1 43 . 43 VAL H C 295 19.38 1.0 ? True False True True 1 1 False -1 False False -1 1205 96.199 19.036 22.548 1 ATOM O O . VAL H 1 43 . 43 VAL H O 296 19.98 1.0 ? True False True True 1 1 False -1 False False -1 1206 95.056 19.108 22.089 1 ATOM C CB . VAL H 1 43 . 43 VAL H CB 297 13.43 1.0 ? True False False True 1 -1 False -1 False False -1 1207 96.864 21.369 22.938 1 ATOM C CG1 . VAL H 1 43 . 43 VAL H CG1 298 15.15 1.0 ? True False False True 1 -1 False -1 False False -1 1208 97.491 22.395 23.883 1 ATOM C CG2 . VAL H 1 43 . 43 VAL H CG2 299 9.99 1.0 ? True False False True 1 -1 False -1 False False -1 1209 97.751 21.293 21.694 1 ATOM N N . LYS H 1 44 . 44 LYS H N 300 18.01 1.0 ? True False True True 1 1 False -1 False False -1 1210 97.073 18.131 22.17 1 ATOM C CA . LYS H 1 44 . 44 LYS H CA 301 19.68 1.0 ? True False True True 1 1 False -1 False False -1 1211 96.732 17.12 21.171 1 ATOM C C . LYS H 1 44 . 44 LYS H C 302 19.42 1.0 ? True False True True 1 1 False -1 False False -1 1212 95.412 16.459 21.585 1 ATOM O O . LYS H 1 44 . 44 LYS H O 303 19.42 1.0 ? True False True True 1 1 False -1 False False -1 1213 95.259 15.987 22.713 1 ATOM C CB . LYS H 1 44 . 44 LYS H CB 304 17.44 1.0 ? True False False True 1 -1 False -1 False False -1 1214 97.845 16.065 21.099 1 ATOM C CG . LYS H 1 44 . 44 LYS H CG 305 25.31 1.0 ? True False False True 1 -1 False -1 False False -1 1215 97.58 14.976 20.059 1 ATOM C CD . LYS H 1 44 . 44 LYS H CD 306 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1216 nan nan nan 1 ATOM C CE . LYS H 1 44 . 44 LYS H CE 307 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1217 nan nan nan 1 ATOM N NZ . LYS H 1 44 . 44 LYS H NZ 308 nan 0.0 +1 True False False True 1 -1 False -1 False False -1 1218 nan nan nan 1 ATOM N N . GLY H 1 45 . 45 GLY H N 309 20.38 1.0 ? True False True True 1 1 False -1 False False -1 1219 94.467 16.445 20.669 1 ATOM C CA . GLY H 1 45 . 45 GLY H CA 310 20.28 1.0 ? True False True True 1 1 False -1 False False -1 1220 93.158 15.817 20.913 1 ATOM C C . GLY H 1 45 . 45 GLY H C 311 19.85 1.0 ? True False True True 1 1 False -1 False False -1 1221 92.145 16.773 21.576 1 ATOM O O . GLY H 1 45 . 45 GLY H O 312 20.74 1.0 ? True False True True 1 1 False -1 False False -1 1222 90.969 16.426 21.732 1 ATOM N N . ARG H 1 46 . 46 ARG H N 313 17.27 1.0 ? True False True True 1 1 False -1 False False -1 1223 92.614 17.956 21.956 1 ATOM C CA . ARG H 1 46 . 46 ARG H CA 314 16.65 1.0 ? True False True True 1 1 False -1 False False -1 1224 91.754 18.983 22.595 1 ATOM C C . ARG H 1 46 . 46 ARG H C 315 15.79 1.0 ? True False True True 1 1 False -1 False False -1 1225 91.617 20.223 21.707 1 ATOM O O . ARG H 1 46 . 46 ARG H O 316 13.44 1.0 ? True False True True 1 1 False -1 False False -1 1226 90.58 20.891 21.698 1 ATOM C CB . ARG H 1 46 . 46 ARG H CB 317 18.24 1.0 ? True False False True 1 -1 False -1 False False -1 1227 92.336 19.485 23.913 1 ATOM C CG . ARG H 1 46 . 46 ARG H CG 318 27.11 1.0 ? True False False True 1 -1 False -1 False False -1 1228 92.427 18.459 25.024 1 ATOM C CD . ARG H 1 46 . 46 ARG H CD 319 23.24 1.0 ? True False False True 1 -1 False -1 False False -1 1229 92.656 19.139 26.373 1 ATOM N NE . ARG H 1 46 . 46 ARG H NE 320 24.38 1.0 ? True False False True 1 -1 False -1 False False -1 1230 93.954 19.826 26.456 1 ATOM C CZ . ARG H 1 46 . 46 ARG H CZ 321 19.96 1.0 ? True False False True 1 -1 False -1 False False -1 1231 94.117 21.091 26.849 1 ATOM N NH1 . ARG H 1 46 . 46 ARG H NH1 322 18.9 1.0 ? True False False True 1 -1 False -1 False False -1 1232 93.061 21.845 27.194 1 ATOM N NH2 . ARG H 1 46 . 46 ARG H NH2 323 18.98 1.0 +1 True False False True 1 -1 False -1 False False -1 1233 95.314 21.682 26.935 1 ATOM N N . PHE H 1 47 . 47 PHE H N 324 13.45 1.0 ? True False True True 1 1 False -1 False False -1 1234 92.685 20.51 20.982 1 ATOM C CA . PHE H 1 47 . 47 PHE H CA 325 14.89 1.0 ? True False True True 1 1 False -1 False False -1 1235 92.742 21.675 20.073 1 ATOM C C . PHE H 1 47 . 47 PHE H C 326 14.28 1.0 ? True False True True 1 1 False -1 False False -1 1236 92.846 21.23 18.619 1 ATOM O O . PHE H 1 47 . 47 PHE H O 327 13.18 1.0 ? True False True True 1 1 False -1 False False -1 1237 93.423 20.186 18.31 1 ATOM C CB . PHE H 1 47 . 47 PHE H CB 328 15.23 1.0 ? True False False True 1 -1 False -1 False False -1 1238 93.986 22.534 20.344 1 ATOM C CG . PHE H 1 47 . 47 PHE H CG 329 14.78 1.0 ? True False False True 1 -1 False -1 False False -1 1239 94.006 23.246 21.696 1 ATOM C CD1 . PHE H 1 47 . 47 PHE H CD1 330 13.09 1.0 ? True False False True 1 -1 False -1 False False -1 1240 94.984 24.212 21.946 1 ATOM C CD2 . PHE H 1 47 . 47 PHE H CD2 331 15.32 1.0 ? True False False True 1 -1 False -1 False False -1 1241 93.062 22.943 22.679 1 ATOM C CE1 . PHE H 1 47 . 47 PHE H CE1 332 14.02 1.0 ? True False False True 1 -1 False -1 False False -1 1242 95.023 24.87 23.175 1 ATOM C CE2 . PHE H 1 47 . 47 PHE H CE2 333 15.57 1.0 ? True False False True 1 -1 False -1 False False -1 1243 93.101 23.602 23.912 1 ATOM C CZ . PHE H 1 47 . 47 PHE H CZ 334 15.37 1.0 ? True False False True 1 -1 False -1 False False -1 1244 94.082 24.565 24.16 1 ATOM N N . THR H 1 48 . 48 THR H N 335 13.39 1.0 ? True False True True 1 1 False -1 False False -1 1245 92.285 22.037 17.743 1 ATOM C CA . THR H 1 48 . 48 THR H CA 336 12.97 1.0 ? True False True True 1 1 False -1 False False -1 1246 92.34 21.766 16.301 1 ATOM C C . THR H 1 48 . 48 THR H C 337 12.38 1.0 ? True False True True 1 1 False -1 False False -1 1247 92.711 23.03 15.541 1 ATOM O O . THR H 1 48 . 48 THR H O 338 12.91 1.0 ? True False True True 1 1 False -1 False False -1 1248 92.09 24.083 15.707 1 ATOM C CB . THR H 1 48 . 48 THR H CB 339 10.15 1.0 ? True False False True 1 -1 False -1 False False -1 1249 90.996 21.29 15.747 1 ATOM O OG1 . THR H 1 48 . 48 THR H OG1 340 17.05 1.0 ? True False False True 1 -1 False -1 False False -1 1250 90.636 20.039 16.324 1 ATOM C CG2 . THR H 1 48 . 48 THR H CG2 341 9.91 1.0 ? True False False True 1 -1 False -1 False False -1 1251 91.044 21.111 14.225 1 ATOM N N . ILE H 1 49 . 49 ILE H N 342 12.39 1.0 ? True False True True 1 1 False -1 False False -1 1252 93.725 22.913 14.717 1 ATOM C CA . ILE H 1 49 . 49 ILE H CA 343 14.48 1.0 ? True False True True 1 1 False -1 False False -1 1253 94.165 24.038 13.894 1 ATOM C C . ILE H 1 49 . 49 ILE H C 344 12.87 1.0 ? True False True True 1 1 False -1 False False -1 1254 93.61 23.831 12.485 1 ATOM O O . ILE H 1 49 . 49 ILE H O 345 12.97 1.0 ? True False True True 1 1 False -1 False False -1 1255 93.652 22.723 11.941 1 ATOM C CB . ILE H 1 49 . 49 ILE H CB 346 10.11 1.0 ? True False False True 1 -1 False -1 False False -1 1256 95.695 24.126 13.847 1 ATOM C CG1 . ILE H 1 49 . 49 ILE H CG1 347 14.6 1.0 ? True False False True 1 -1 False -1 False False -1 1257 96.164 25.391 13.108 1 ATOM C CG2 . ILE H 1 49 . 49 ILE H CG2 348 13.26 1.0 ? True False False True 1 -1 False -1 False False -1 1258 96.333 22.93 13.138 1 ATOM C CD1 . ILE H 1 49 . 49 ILE H CD1 349 18.6 1.0 ? True False False True 1 -1 False -1 False False -1 1259 97.677 25.607 13.145 1 ATOM N N . SER H 1 50 . 50 SER H N 350 13.38 1.0 ? True False True True 1 1 False -1 False False -1 1260 93.086 24.901 11.915 1 ATOM C CA . SER H 1 50 . 50 SER H CA 351 14.82 1.0 ? True False True True 1 1 False -1 False False -1 1261 92.509 24.857 10.556 1 ATOM C C . SER H 1 50 . 50 SER H C 352 15.03 1.0 ? True False True True 1 1 False -1 False False -1 1262 92.732 26.186 9.847 1 ATOM O O . SER H 1 50 . 50 SER H O 353 14.04 1.0 ? True False True True 1 1 False -1 False False -1 1263 93.215 27.159 10.439 1 ATOM C CB . SER H 1 50 . 50 SER H CB 354 13.13 1.0 ? True False False True 1 -1 False -1 False False -1 1264 91.003 24.574 10.624 1 ATOM O OG . SER H 1 50 . 50 SER H OG 355 19.11 1.0 ? True False False True 1 -1 False -1 False False -1 1265 90.328 25.635 11.281 1 ATOM N N . ARG H 1 51 . 51 ARG H N 356 15.28 1.0 ? True False True True 1 1 False -1 False False -1 1266 92.375 26.214 8.578 1 ATOM C CA . ARG H 1 51 . 51 ARG H CA 357 14.75 1.0 ? True False True True 1 1 False -1 False False -1 1267 92.537 27.424 7.784 1 ATOM C C . ARG H 1 51 . 51 ARG H C 358 15.41 1.0 ? True False True True 1 1 False -1 False False -1 1268 91.48 27.528 6.681 1 ATOM O O . ARG H 1 51 . 51 ARG H O 359 12.4 1.0 ? True False True True 1 1 False -1 False False -1 1269 91.02 26.529 6.126 1 ATOM C CB . ARG H 1 51 . 51 ARG H CB 360 17.96 1.0 ? True False False True 1 -1 False -1 False False -1 1270 93.929 27.445 7.136 1 ATOM C CG . ARG H 1 51 . 51 ARG H CG 361 22.98 1.0 ? True False False True 1 -1 False -1 False False -1 1271 94.275 26.204 6.347 1 ATOM C CD . ARG H 1 51 . 51 ARG H CD 362 30.04 1.0 ? True False False True 1 -1 False -1 False False -1 1272 95.165 26.551 5.171 1 ATOM N NE . ARG H 1 51 . 51 ARG H NE 363 27.19 1.0 ? True False False True 1 -1 False -1 False False -1 1273 96.504 26.624 5.449 1 ATOM C CZ . ARG H 1 51 . 51 ARG H CZ 364 20.16 1.0 ? True False False True 1 -1 False -1 False False -1 1274 97.527 27.342 4.996 1 ATOM N NH1 . ARG H 1 51 . 51 ARG H NH1 365 20.01 1.0 ? True False False True 1 -1 False -1 False False -1 1275 97.552 28.389 4.09 1 ATOM N NH2 . ARG H 1 51 . 51 ARG H NH2 366 21.36 1.0 +1 True False False True 1 -1 False -1 False False -1 1276 98.663 26.947 5.386 1 ATOM N N . ASP H 1 52 . 52 ASP H N 367 16.06 1.0 ? True False True True 1 1 False -1 False False -1 1277 91.126 28.759 6.417 1 ATOM C CA . ASP H 1 52 . 52 ASP H CA 368 16.9 1.0 ? True False True True 1 1 False -1 False False -1 1278 90.189 29.119 5.361 1 ATOM C C . ASP H 1 52 . 52 ASP H C 369 17.96 1.0 ? True False True True 1 1 False -1 False False -1 1279 90.981 29.974 4.409 1 ATOM O O . ASP H 1 52 . 52 ASP H O 370 16.3 1.0 ? True False True True 1 1 False -1 False False -1 1280 91.131 31.178 4.615 1 ATOM C CB . ASP H 1 52 . 52 ASP H CB 371 21.51 1.0 ? True False False True 1 -1 False -1 False False -1 1281 89.004 29.901 5.918 1 ATOM C CG . ASP H 1 52 . 52 ASP H CG 372 22.73 1.0 ? True False False True 1 -1 False -1 False False -1 1282 88.006 30.269 4.833 1 ATOM O OD1 . ASP H 1 52 . 52 ASP H OD1 373 19.1 1.0 ? True False False True 1 -1 False -1 False False -1 1283 88.431 30.645 3.681 1 ATOM O OD2 . ASP H 1 52 . 52 ASP H OD2 374 30.15 1.0 ? True False False True 1 -1 False -1 False False -1 1284 86.749 30.198 5.071 1 ATOM N N . ASN H 1 53 . 53 ASN H N 375 16.14 1.0 ? True False True True 1 1 False -1 False False -1 1285 91.491 29.348 3.382 1 ATOM C CA . ASN H 1 53 . 53 ASN H CA 376 16.8 1.0 ? True False True True 1 1 False -1 False False -1 1286 92.339 30.048 2.421 1 ATOM C C . ASN H 1 53 . 53 ASN H C 377 20.78 1.0 ? True False True True 1 1 False -1 False False -1 1287 91.59 31.165 1.686 1 ATOM O O . ASN H 1 53 . 53 ASN H O 378 21.77 1.0 ? True False True True 1 1 False -1 False False -1 1288 92.177 32.189 1.332 1 ATOM C CB . ASN H 1 53 . 53 ASN H CB 379 16.77 1.0 ? True False False True 1 -1 False -1 False False -1 1289 92.904 29.074 1.405 1 ATOM C CG . ASN H 1 53 . 53 ASN H CG 380 18.39 1.0 ? True False False True 1 -1 False -1 False False -1 1290 93.812 28.033 2.056 1 ATOM O OD1 . ASN H 1 53 . 53 ASN H OD1 381 18.2 1.0 ? True False False True 1 -1 False -1 False False -1 1291 94.471 28.332 3.061 1 ATOM N ND2 . ASN H 1 53 . 53 ASN H ND2 382 17.75 1.0 ? True False False True 1 -1 False -1 False False -1 1292 93.883 26.824 1.54 1 ATOM N N . SER H 1 54 . 54 SER H N 383 19.33 1.0 ? True False True True 1 1 False -1 False False -1 1293 90.299 30.99 1.454 1 ATOM C CA . SER H 1 54 . 54 SER H CA 384 18.3 1.0 ? True False True True 1 1 False -1 False False -1 1294 89.525 32.024 0.742 1 ATOM C C . SER H 1 54 . 54 SER H C 385 20.93 1.0 ? True False True True 1 1 False -1 False False -1 1295 89.501 33.329 1.557 1 ATOM O O . SER H 1 54 . 54 SER H O 386 22.06 1.0 ? True False True True 1 1 False -1 False False -1 1296 89.409 34.428 1.002 1 ATOM C CB . SER H 1 54 . 54 SER H CB 387 18.62 1.0 ? True False False True 1 -1 False -1 False False -1 1297 88.079 31.563 0.483 1 ATOM O OG . SER H 1 54 . 54 SER H OG 388 19.58 1.0 ? True False False True 1 -1 False -1 False False -1 1298 87.329 31.547 1.687 1 ATOM N N . LYS H 1 55 . 55 LYS H N 389 19.76 1.0 ? True False True True 1 1 False -1 False False -1 1299 89.594 33.193 2.87 1 ATOM C CA . LYS H 1 55 . 55 LYS H CA 390 20.95 1.0 ? True False True True 1 1 False -1 False False -1 1300 89.568 34.356 3.774 1 ATOM C C . LYS H 1 55 . 55 LYS H C 391 18.45 1.0 ? True False True True 1 1 False -1 False False -1 1301 90.962 34.704 4.321 1 ATOM O O . LYS H 1 55 . 55 LYS H O 392 19.2 1.0 ? True False True True 1 1 False -1 False False -1 1302 91.116 35.642 5.113 1 ATOM C CB . LYS H 1 55 . 55 LYS H CB 393 21.59 1.0 ? True False False True 1 -1 False -1 False False -1 1303 88.671 34.078 4.98 1 ATOM C CG . LYS H 1 55 . 55 LYS H CG 394 26.87 1.0 ? True False False True 1 -1 False -1 False False -1 1304 87.206 33.862 4.619 1 ATOM C CD . LYS H 1 55 . 55 LYS H CD 395 32.83 1.0 ? True False False True 1 -1 False -1 False False -1 1305 86.364 33.493 5.837 1 ATOM C CE . LYS H 1 55 . 55 LYS H CE 396 31.01 1.0 ? True False False True 1 -1 False -1 False False -1 1306 84.904 33.226 5.499 1 ATOM N NZ . LYS H 1 55 . 55 LYS H NZ 397 32.27 1.0 +1 True False False True 1 -1 False -1 False False -1 1307 84.121 32.796 6.668 1 ATOM N N . ASN H 1 56 . 56 ASN H N 398 16.72 1.0 ? True False True True 1 1 False -1 False False -1 1308 91.96 33.949 3.892 1 ATOM C CA . ASN H 1 56 . 56 ASN H CA 399 17.82 1.0 ? True False True True 1 1 False -1 False False -1 1309 93.34 34.156 4.36 1 ATOM C C . ASN H 1 56 . 56 ASN H C 400 16.2 1.0 ? True False True True 1 1 False -1 False False -1 1310 93.342 34.16 5.884 1 ATOM O O . ASN H 1 56 . 56 ASN H O 401 14.2 1.0 ? True False True True 1 1 False -1 False False -1 1311 94.053 34.942 6.53 1 ATOM C CB . ASN H 1 56 . 56 ASN H CB 402 20.58 1.0 ? True False False True 1 -1 False -1 False False -1 1312 93.882 35.505 3.869 1 ATOM C CG . ASN H 1 56 . 56 ASN H CG 403 21.56 1.0 ? True False False True 1 -1 False -1 False False -1 1313 93.855 35.649 2.357 1 ATOM O OD1 . ASN H 1 56 . 56 ASN H OD1 404 24.02 1.0 ? True False False True 1 -1 False -1 False False -1 1314 94.397 34.797 1.652 1 ATOM N ND2 . ASN H 1 56 . 56 ASN H ND2 405 29.65 1.0 ? True False False True 1 -1 False -1 False False -1 1315 93.249 36.688 1.818 1 ATOM N N . THR H 1 57 . 57 THR H N 406 13.69 1.0 ? True False True True 1 1 False -1 False False -1 1316 92.54 33.278 6.453 1 ATOM C CA . THR H 1 57 . 57 THR H CA 407 16.87 1.0 ? True False True True 1 1 False -1 False False -1 1317 92.42 33.209 7.912 1 ATOM C C . THR H 1 57 . 57 THR H C 408 17.0 1.0 ? True False True True 1 1 False -1 False False -1 1318 92.777 31.821 8.477 1 ATOM O O . THR H 1 57 . 57 THR H O 409 14.84 1.0 ? True False True True 1 1 False -1 False False -1 1319 92.475 30.782 7.879 1 ATOM C CB . THR H 1 57 . 57 THR H CB 410 15.86 1.0 ? True False False True 1 -1 False -1 False False -1 1320 90.997 33.551 8.327 1 ATOM O OG1 . THR H 1 57 . 57 THR H OG1 411 18.53 1.0 ? True False False True 1 -1 False -1 False False -1 1321 90.693 34.885 7.922 1 ATOM C CG2 . THR H 1 57 . 57 THR H CG2 412 18.04 1.0 ? True False False True 1 -1 False -1 False False -1 1322 90.794 33.46 9.836 1 ATOM N N . LEU H 1 58 . 58 LEU H N 413 15.47 1.0 ? True False True True 1 1 False -1 False False -1 1323 93.418 31.903 9.636 1 ATOM C CA . LEU H 1 58 . 58 LEU H CA 414 14.49 1.0 ? True False True True 1 1 False -1 False False -1 1324 93.889 30.751 10.434 1 ATOM C C . LEU H 1 58 . 58 LEU H C 415 15.42 1.0 ? True False True True 1 1 False -1 False False -1 1325 93.033 30.657 11.691 1 ATOM O O . LEU H 1 58 . 58 LEU H O 416 16.24 1.0 ? True False True True 1 1 False -1 False False -1 1326 92.732 31.669 12.329 1 ATOM C CB . LEU H 1 58 . 58 LEU H CB 417 15.59 1.0 ? True False False True 1 -1 False -1 False False -1 1327 95.354 30.992 10.811 1 ATOM C CG . LEU H 1 58 . 58 LEU H CG 418 14.94 1.0 ? True False False True 1 -1 False -1 False False -1 1328 95.9 30.054 11.879 1 ATOM C CD1 . LEU H 1 58 . 58 LEU H CD1 419 16.42 1.0 ? True False False True 1 -1 False -1 False False -1 1329 96.085 28.626 11.361 1 ATOM C CD2 . LEU H 1 58 . 58 LEU H CD2 420 13.1 1.0 ? True False False True 1 -1 False -1 False False -1 1330 97.265 30.523 12.397 1 ATOM N N . TYR H 1 59 . 59 TYR H N 421 13.79 1.0 ? True False True True 1 1 False -1 False False -1 1331 92.648 29.446 12.042 1 ATOM C CA . TYR H 1 59 . 59 TYR H CA 422 14.22 1.0 ? True False True True 1 1 False -1 False False -1 1332 91.8 29.232 13.225 1 ATOM C C . TYR H 1 59 . 59 TYR H C 423 14.14 1.0 ? True False True True 1 1 False -1 False False -1 1333 92.42 28.256 14.222 1 ATOM O O . TYR H 1 59 . 59 TYR H O 424 12.55 1.0 ? True False True True 1 1 False -1 False False -1 1334 93.277 27.437 13.878 1 ATOM C CB . TYR H 1 59 . 59 TYR H CB 425 11.43 1.0 ? True False False True 1 -1 False -1 False False -1 1335 90.447 28.638 12.82 1 ATOM C CG . TYR H 1 59 . 59 TYR H CG 426 15.19 1.0 ? True False False True 1 -1 False -1 False False -1 1336 89.652 29.517 11.86 1 ATOM C CD1 . TYR H 1 59 . 59 TYR H CD1 427 20.11 1.0 ? True False False True 1 -1 False -1 False False -1 1337 89.032 30.684 12.321 1 ATOM C CD2 . TYR H 1 59 . 59 TYR H CD2 428 19.12 1.0 ? True False False True 1 -1 False -1 False False -1 1338 89.54 29.153 10.518 1 ATOM C CE1 . TYR H 1 59 . 59 TYR H CE1 429 21.21 1.0 ? True False False True 1 -1 False -1 False False -1 1339 88.301 31.485 11.433 1 ATOM C CE2 . TYR H 1 59 . 59 TYR H CE2 430 22.72 1.0 ? True False False True 1 -1 False -1 False False -1 1340 88.811 29.951 9.633 1 ATOM C CZ . TYR H 1 59 . 59 TYR H CZ 431 24.16 1.0 ? True False False True 1 -1 False -1 False False -1 1341 88.193 31.115 10.089 1 ATOM O OH . TYR H 1 59 . 59 TYR H OH 432 28.92 1.0 ? True False False True 1 -1 False -1 False False -1 1342 87.487 31.886 9.218 1 ATOM N N . LEU H 1 60 . 60 LEU H N 433 12.77 1.0 ? True False True True 1 1 False -1 False False -1 1343 91.949 28.392 15.439 1 ATOM C CA . LEU H 1 60 . 60 LEU H CA 434 13.02 1.0 ? True False True True 1 1 False -1 False False -1 1344 92.342 27.536 16.549 1 ATOM C C . LEU H 1 60 . 60 LEU H C 435 13.43 1.0 ? True False True True 1 1 False -1 False False -1 1345 91.11 27.263 17.396 1 ATOM O O . LEU H 1 60 . 60 LEU H O 436 12.05 1.0 ? True False True True 1 1 False -1 False False -1 1346 90.587 28.158 18.062 1 ATOM C CB . LEU H 1 60 . 60 LEU H CB 437 12.14 1.0 ? True False False True 1 -1 False -1 False False -1 1347 93.407 28.194 17.428 1 ATOM C CG . LEU H 1 60 . 60 LEU H CG 438 16.82 1.0 ? True False False True 1 -1 False -1 False False -1 1348 93.873 27.267 18.548 1 ATOM C CD1 . LEU H 1 60 . 60 LEU H CD1 439 14.35 1.0 ? True False False True 1 -1 False -1 False False -1 1349 94.561 26.009 18.003 1 ATOM C CD2 . LEU H 1 60 . 60 LEU H CD2 440 16.15 1.0 ? True False False True 1 -1 False -1 False False -1 1350 94.864 27.944 19.497 1 ATOM N N . GLN H 1 61 . 61 GLN H N 441 14.56 1.0 ? True False True True 1 1 False -1 False False -1 1351 90.656 26.03 17.345 1 ATOM C CA . GLN H 1 61 . 61 GLN H CA 442 12.27 1.0 ? True False True True 1 1 False -1 False False -1 1352 89.492 25.597 18.13 1 ATOM C C . GLN H 1 61 . 61 GLN H C 443 13.97 1.0 ? True False True True 1 1 False -1 False False -1 1353 90.024 24.951 19.391 1 ATOM O O . GLN H 1 61 . 61 GLN H O 444 13.56 1.0 ? True False True True 1 1 False -1 False False -1 1354 90.888 24.074 19.335 1 ATOM C CB . GLN H 1 61 . 61 GLN H CB 445 14.37 1.0 ? True False False True 1 -1 False -1 False False -1 1355 88.65 24.59 17.335 1 ATOM C CG . GLN H 1 61 . 61 GLN H CG 446 11.21 1.0 ? True False False True 1 -1 False -1 False False -1 1356 87.538 23.933 18.171 1 ATOM C CD . GLN H 1 61 . 61 GLN H CD 447 13.58 1.0 ? True False False True 1 -1 False -1 False False -1 1357 86.408 24.897 18.537 1 ATOM O OE1 . GLN H 1 61 . 61 GLN H OE1 448 14.38 1.0 ? True False False True 1 -1 False -1 False False -1 1358 86.284 25.29 19.703 1 ATOM N NE2 . GLN H 1 61 . 61 GLN H NE2 449 7.72 1.0 ? True False False True 1 -1 False -1 False False -1 1359 85.572 25.301 17.6 1 ATOM N N . MET H 1 62 . 62 MET H N 450 13.89 1.0 ? True False True True 1 1 False -1 False False -1 1360 89.519 25.384 20.52 1 ATOM C CA . MET H 1 62 . 62 MET H CA 451 14.42 1.0 ? True False True True 1 1 False -1 False False -1 1361 89.979 24.839 21.803 1 ATOM C C . MET H 1 62 . 62 MET H C 452 13.51 1.0 ? True False True True 1 1 False -1 False False -1 1362 88.813 24.225 22.583 1 ATOM O O . MET H 1 62 . 62 MET H O 453 14.0 1.0 ? True False True True 1 1 False -1 False False -1 1363 87.691 24.741 22.581 1 ATOM C CB . MET H 1 62 . 62 MET H CB 454 14.49 1.0 ? True False False True 1 -1 False -1 False False -1 1364 90.621 25.954 22.629 1 ATOM C CG . MET H 1 62 . 62 MET H CG 455 19.49 1.0 ? True False False True 1 -1 False -1 False False -1 1365 91.962 26.423 22.045 1 ATOM S SD . MET H 1 62 . 62 MET H SD 456 25.12 1.0 ? True False False True 1 -1 False -1 False False -1 1366 92.672 27.761 22.957 1 ATOM C CE . MET H 1 62 . 62 MET H CE 457 16.32 1.0 ? True False False True 1 -1 False -1 False False -1 1367 91.594 29.153 22.805 1 ATOM N N . ASN H 1 63 . 63 ASN H N 458 12.8 1.0 ? True False True True 1 1 False -1 False False -1 1368 89.113 23.115 23.242 1 ATOM C CA . ASN H 1 63 . 63 ASN H CA 459 16.17 1.0 ? True False True True 1 1 False -1 False False -1 1369 88.118 22.393 24.053 1 ATOM C C . ASN H 1 63 . 63 ASN H C 460 18.64 1.0 ? True False True True 1 1 False -1 False False -1 1370 88.722 21.987 25.403 1 ATOM O O . ASN H 1 63 . 63 ASN H O 461 14.78 1.0 ? True False True True 1 1 False -1 False False -1 1371 89.947 21.943 25.566 1 ATOM C CB . ASN H 1 63 . 63 ASN H CB 462 13.47 1.0 ? True False False True 1 -1 False -1 False False -1 1372 87.642 21.146 23.32 1 ATOM C CG . ASN H 1 63 . 63 ASN H CG 463 12.43 1.0 ? True False False True 1 -1 False -1 False False -1 1373 86.787 21.482 22.107 1 ATOM O OD1 . ASN H 1 63 . 63 ASN H OD1 464 11.99 1.0 ? True False False True 1 -1 False -1 False False -1 1374 85.697 22.046 22.261 1 ATOM N ND2 . ASN H 1 63 . 63 ASN H ND2 465 11.96 1.0 ? True False False True 1 -1 False -1 False False -1 1375 87.224 21.17 20.905 1 ATOM N N . SER H 1 64 . 64 SER H N 466 18.26 1.0 ? True False True True 1 1 False -1 False False -1 1376 87.815 21.706 26.326 1 ATOM C CA . SER H 1 64 . 64 SER H CA 467 19.36 1.0 ? True False True True 1 1 False -1 False False -1 1377 88.147 21.301 27.707 1 ATOM C C . SER H 1 64 . 64 SER H C 468 18.52 1.0 ? True False True True 1 1 False -1 False False -1 1378 89.354 22.096 28.224 1 ATOM O O . SER H 1 64 . 64 SER H O 469 15.67 1.0 ? True False True True 1 1 False -1 False False -1 1379 90.364 21.525 28.655 1 ATOM C CB . SER H 1 64 . 64 SER H CB 470 18.89 1.0 ? True False False True 1 -1 False -1 False False -1 1380 88.481 19.807 27.756 1 ATOM O OG . SER H 1 64 . 64 SER H OG 471 30.56 1.0 ? True False False True 1 -1 False -1 False False -1 1381 87.351 19.043 27.356 1 ATOM N N . LEU H 1 65 . 65 LEU H N 472 20.99 1.0 ? True False True True 1 1 False -1 False False -1 1382 89.212 23.405 28.167 1 ATOM C CA . LEU H 1 65 . 65 LEU H CA 473 17.84 1.0 ? True False True True 1 1 False -1 False False -1 1383 90.254 24.343 28.616 1 ATOM C C . LEU H 1 65 . 65 LEU H C 474 20.75 1.0 ? True False True True 1 1 False -1 False False -1 1384 90.49 24.203 30.125 1 ATOM O O . LEU H 1 65 . 65 LEU H O 475 22.51 1.0 ? True False True True 1 1 False -1 False False -1 1385 89.581 23.858 30.887 1 ATOM C CB . LEU H 1 65 . 65 LEU H CB 476 17.86 1.0 ? True False False True 1 -1 False -1 False False -1 1386 89.823 25.779 28.332 1 ATOM C CG . LEU H 1 65 . 65 LEU H CG 477 19.58 1.0 ? True False False True 1 -1 False -1 False False -1 1387 89.862 26.136 26.853 1 ATOM C CD1 . LEU H 1 65 . 65 LEU H CD1 478 25.49 1.0 ? True False False True 1 -1 False -1 False False -1 1388 89.167 27.466 26.553 1 ATOM C CD2 . LEU H 1 65 . 65 LEU H CD2 479 17.4 1.0 ? True False False True 1 -1 False -1 False False -1 1389 91.289 26.264 26.316 1 ATOM N N . ARG H 1 66 . 66 ARG H N 480 20.92 1.0 ? True False True True 1 1 False -1 False False -1 1390 91.717 24.48 30.514 1 ATOM C CA . ARG H 1 66 . 66 ARG H CA 481 20.23 1.0 ? True False True True 1 1 False -1 False False -1 1391 92.144 24.428 31.921 1 ATOM C C . ARG H 1 66 . 66 ARG H C 482 21.78 1.0 ? True False True True 1 1 False -1 False False -1 1392 92.918 25.703 32.231 1 ATOM O O . ARG H 1 66 . 66 ARG H O 483 18.53 1.0 ? True False True True 1 1 False -1 False False -1 1393 93.426 26.373 31.326 1 ATOM C CB . ARG H 1 66 . 66 ARG H CB 484 21.54 1.0 ? True False False True 1 -1 False -1 False False -1 1394 93.039 23.207 32.152 1 ATOM C CG . ARG H 1 66 . 66 ARG H CG 485 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1395 nan nan nan 1 ATOM C CD . ARG H 1 66 . 66 ARG H CD 486 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1396 nan nan nan 1 ATOM N NE . ARG H 1 66 . 66 ARG H NE 487 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1397 nan nan nan 1 ATOM C CZ . ARG H 1 66 . 66 ARG H CZ 488 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1398 nan nan nan 1 ATOM N NH1 . ARG H 1 66 . 66 ARG H NH1 489 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1399 nan nan nan 1 ATOM N NH2 . ARG H 1 66 . 66 ARG H NH2 490 nan 0.0 +1 True False False True 1 -1 False -1 False False -1 1400 nan nan nan 1 ATOM N N . ALA H 1 67 . 67 ALA H N 491 22.07 1.0 ? True False True True 1 1 False -1 False False -1 1401 92.999 26.036 33.506 1 ATOM C CA . ALA H 1 67 . 67 ALA H CA 492 21.03 1.0 ? True False True True 1 1 False -1 False False -1 1402 93.733 27.235 33.929 1 ATOM C C . ALA H 1 67 . 67 ALA H C 493 20.12 1.0 ? True False True True 1 1 False -1 False False -1 1403 95.105 27.207 33.249 1 ATOM O O . ALA H 1 67 . 67 ALA H O 494 21.64 1.0 ? True False True True 1 1 False -1 False False -1 1404 95.686 28.248 32.935 1 ATOM C CB . ALA H 1 67 . 67 ALA H CB 495 23.11 1.0 ? True False False True 1 -1 False -1 False False -1 1405 93.896 27.242 35.454 1 ATOM N N . GLU H 1 68 . 68 GLU H N 496 22.7 1.0 ? True False True True 1 1 False -1 False False -1 1406 95.543 25.99 33.054 1 ATOM C CA . GLU H 1 68 . 68 GLU H CA 497 25.68 1.0 ? True False True True 1 1 False -1 False False -1 1407 96.824 25.641 32.429 1 ATOM C C . GLU H 1 68 . 68 GLU H C 498 23.83 1.0 ? True False True True 1 1 False -1 False False -1 1408 96.974 26.3 31.039 1 ATOM O O . GLU H 1 68 . 68 GLU H O 499 23.6 1.0 ? True False True True 1 1 False -1 False False -1 1409 98.088 26.571 30.575 1 ATOM C CB . GLU H 1 68 . 68 GLU H CB 500 34.11 1.0 ? True False False True 1 -1 False -1 False False -1 1410 96.852 24.113 32.289 1 ATOM C CG . GLU H 1 68 . 68 GLU H CG 501 37.64 1.0 ? True False False True 1 -1 False -1 False False -1 1411 98.119 23.521 31.689 1 ATOM C CD . GLU H 1 68 . 68 GLU H CD 502 47.13 1.0 ? True False False True 1 -1 False -1 False False -1 1412 97.979 22.01 31.517 1 ATOM O OE1 . GLU H 1 68 . 68 GLU H OE1 503 48.25 1.0 ? True False False True 1 -1 False -1 False False -1 1413 97.569 21.293 32.503 1 ATOM O OE2 . GLU H 1 68 . 68 GLU H OE2 504 44.71 1.0 ? True False False True 1 -1 False -1 False False -1 1414 98.261 21.458 30.393 1 ATOM N N . ASP H 1 69 . 69 ASP H N 505 21.21 1.0 ? True False True True 1 1 False -1 False False -1 1415 95.846 26.559 30.391 1 ATOM C CA . ASP H 1 69 . 69 ASP H CA 506 19.1 1.0 ? True False True True 1 1 False -1 False False -1 1416 95.848 27.136 29.029 1 ATOM C C . ASP H 1 69 . 69 ASP H C 507 18.16 1.0 ? True False True True 1 1 False -1 False False -1 1417 95.775 28.672 28.993 1 ATOM O O . ASP H 1 69 . 69 ASP H O 508 17.19 1.0 ? True False True True 1 1 False -1 False False -1 1418 95.812 29.281 27.918 1 ATOM C CB . ASP H 1 69 . 69 ASP H CB 509 18.41 1.0 ? True False False True 1 -1 False -1 False False -1 1419 94.662 26.618 28.234 1 ATOM C CG . ASP H 1 69 . 69 ASP H CG 510 17.4 1.0 ? True False False True 1 -1 False -1 False False -1 1420 94.686 25.11 28.089 1 ATOM O OD1 . ASP H 1 69 . 69 ASP H OD1 511 18.08 1.0 ? True False False True 1 -1 False -1 False False -1 1421 95.722 24.536 27.59 1 ATOM O OD2 . ASP H 1 69 . 69 ASP H OD2 512 21.49 1.0 ? True False False True 1 -1 False -1 False False -1 1422 93.675 24.423 28.469 1 ATOM N N . THR H 1 70 . 70 THR H N 513 16.28 1.0 ? True False True True 1 1 False -1 False False -1 1423 95.672 29.311 30.143 1 ATOM C CA . THR H 1 70 . 70 THR H CA 514 14.18 1.0 ? True False True True 1 1 False -1 False False -1 1424 95.618 30.786 30.167 1 ATOM C C . THR H 1 70 . 70 THR H C 515 15.8 1.0 ? True False True True 1 1 False -1 False False -1 1425 96.929 31.334 29.605 1 ATOM O O . THR H 1 70 . 70 THR H O 516 15.54 1.0 ? True False True True 1 1 False -1 False False -1 1426 98.02 30.897 29.987 1 ATOM C CB . THR H 1 70 . 70 THR H CB 517 16.29 1.0 ? True False False True 1 -1 False -1 False False -1 1427 95.436 31.319 31.587 1 ATOM O OG1 . THR H 1 70 . 70 THR H OG1 518 18.94 1.0 ? True False False True 1 -1 False -1 False False -1 1428 94.192 30.878 32.12 1 ATOM C CG2 . THR H 1 70 . 70 THR H CG2 519 16.67 1.0 ? True False False True 1 -1 False -1 False False -1 1429 95.449 32.849 31.631 1 ATOM N N . ALA H 1 71 . 71 ALA H N 520 15.17 1.0 ? True False True True 1 1 False -1 False False -1 1430 96.815 32.288 28.7 1 ATOM C CA . ALA H 1 71 . 71 ALA H CA 521 16.77 1.0 ? True False True True 1 1 False -1 False False -1 1431 98.002 32.894 28.082 1 ATOM C C . ALA H 1 71 . 71 ALA H C 522 15.88 1.0 ? True False True True 1 1 False -1 False False -1 1432 97.618 33.777 26.902 1 ATOM O O . ALA H 1 71 . 71 ALA H O 523 15.88 1.0 ? True False True True 1 1 False -1 False False -1 1433 96.449 33.858 26.51 1 ATOM C CB . ALA H 1 71 . 71 ALA H CB 524 14.96 1.0 ? True False False True 1 -1 False -1 False False -1 1434 98.932 31.781 27.567 1 ATOM N N . VAL H 1 72 . 72 VAL H N 525 16.45 1.0 ? True False True True 1 1 False -1 False False -1 1435 98.625 34.432 26.369 1 ATOM C CA . VAL H 1 72 . 72 VAL H CA 526 14.66 1.0 ? True False True True 1 1 False -1 False False -1 1436 98.464 35.27 25.191 1 ATOM C C . VAL H 1 72 . 72 VAL H C 527 16.26 1.0 ? True False True True 1 1 False -1 False False -1 1437 98.792 34.378 24.009 1 ATOM O O . VAL H 1 72 . 72 VAL H O 528 15.75 1.0 ? True False True True 1 1 False -1 False False -1 1438 99.897 33.836 23.916 1 ATOM C CB . VAL H 1 72 . 72 VAL H CB 529 16.39 1.0 ? True False False True 1 -1 False -1 False False -1 1439 99.414 36.469 25.241 1 ATOM C CG1 . VAL H 1 72 . 72 VAL H CG1 530 14.82 1.0 ? True False False True 1 -1 False -1 False False -1 1440 99.298 37.35 23.992 1 ATOM C CG2 . VAL H 1 72 . 72 VAL H CG2 531 21.18 1.0 ? True False False True 1 -1 False -1 False False -1 1441 99.154 37.38 26.444 1 ATOM N N . TYR H 1 73 . 73 TYR H N 532 14.85 1.0 ? True False True True 1 1 False -1 False False -1 1442 97.834 34.218 23.123 1 ATOM C CA . TYR H 1 73 . 73 TYR H CA 533 15.16 1.0 ? True False True True 1 1 False -1 False False -1 1443 98.022 33.357 21.943 1 ATOM C C . TYR H 1 73 . 73 TYR H C 534 16.02 1.0 ? True False True True 1 1 False -1 False False -1 1444 98.44 34.201 20.744 1 ATOM O O . TYR H 1 73 . 73 TYR H O 535 15.96 1.0 ? True False True True 1 1 False -1 False False -1 1445 97.872 35.264 20.479 1 ATOM C CB . TYR H 1 73 . 73 TYR H CB 536 13.35 1.0 ? True False False True 1 -1 False -1 False False -1 1446 96.723 32.609 21.639 1 ATOM C CG . TYR H 1 73 . 73 TYR H CG 537 14.79 1.0 ? True False False True 1 -1 False -1 False False -1 1447 96.484 31.473 22.635 1 ATOM C CD1 . TYR H 1 73 . 73 TYR H CD1 538 12.96 1.0 ? True False False True 1 -1 False -1 False False -1 1448 96.556 30.14 22.217 1 ATOM C CD2 . TYR H 1 73 . 73 TYR H CD2 539 15.66 1.0 ? True False False True 1 -1 False -1 False False -1 1449 96.196 31.767 23.971 1 ATOM C CE1 . TYR H 1 73 . 73 TYR H CE1 540 16.16 1.0 ? True False False True 1 -1 False -1 False False -1 1450 96.352 29.105 23.138 1 ATOM C CE2 . TYR H 1 73 . 73 TYR H CE2 541 11.11 1.0 ? True False False True 1 -1 False -1 False False -1 1451 95.995 30.733 24.891 1 ATOM C CZ . TYR H 1 73 . 73 TYR H CZ 542 17.2 1.0 ? True False False True 1 -1 False -1 False False -1 1452 96.076 29.403 24.476 1 ATOM O OH . TYR H 1 73 . 73 TYR H OH 543 17.23 1.0 ? True False False True 1 -1 False -1 False False -1 1453 95.892 28.398 25.375 1 ATOM N N . TYR H 1 74 . 74 TYR H N 544 15.27 1.0 ? True False True True 1 1 False -1 False False -1 1454 99.438 33.694 20.047 1 ATOM C CA . TYR H 1 74 . 74 TYR H CA 545 14.34 1.0 ? True False True True 1 1 False -1 False False -1 1455 99.997 34.359 18.863 1 ATOM C C . TYR H 1 74 . 74 TYR H C 546 14.97 1.0 ? True False True True 1 1 False -1 False False -1 1456 99.981 33.447 17.644 1 ATOM O O . TYR H 1 74 . 74 TYR H O 547 15.65 1.0 ? True False True True 1 1 False -1 False False -1 1457 100.282 32.254 17.735 1 ATOM C CB . TYR H 1 74 . 74 TYR H CB 548 11.38 1.0 ? True False False True 1 -1 False -1 False False -1 1458 101.478 34.724 19.077 1 ATOM C CG . TYR H 1 74 . 74 TYR H CG 549 16.16 1.0 ? True False False True 1 -1 False -1 False False -1 1459 101.772 35.626 20.274 1 ATOM C CD1 . TYR H 1 74 . 74 TYR H CD1 550 14.53 1.0 ? True False False True 1 -1 False -1 False False -1 1460 101.95 35.075 21.55 1 ATOM C CD2 . TYR H 1 74 . 74 TYR H CD2 551 14.68 1.0 ? True False False True 1 -1 False -1 False False -1 1461 101.875 37.006 20.093 1 ATOM C CE1 . TYR H 1 74 . 74 TYR H CE1 552 16.3 1.0 ? True False False True 1 -1 False -1 False False -1 1462 102.236 35.91 22.639 1 ATOM C CE2 . TYR H 1 74 . 74 TYR H CE2 553 18.58 1.0 ? True False False True 1 -1 False -1 False False -1 1463 102.162 37.837 21.178 1 ATOM C CZ . TYR H 1 74 . 74 TYR H CZ 554 15.74 1.0 ? True False False True 1 -1 False -1 False False -1 1464 102.344 37.291 22.448 1 ATOM O OH . TYR H 1 74 . 74 TYR H OH 555 22.47 1.0 ? True False False True 1 -1 False -1 False False -1 1465 102.628 38.11 23.495 1 ATOM N N . CYS H 1 75 . 75 CYS H N 556 15.38 1.0 ? True False True True 1 1 False -1 False False -1 1466 99.627 34.011 16.506 1 ATOM C CA . CYS H 1 75 . 75 CYS H CA 557 16.51 1.0 ? True False True True 1 1 False -1 False False -1 1467 99.665 33.252 15.254 1 ATOM C C . CYS H 1 75 . 75 CYS H C 558 16.18 1.0 ? True False True True 1 1 False -1 False False -1 1468 100.95 33.68 14.563 1 ATOM O O . CYS H 1 75 . 75 CYS H O 559 16.72 1.0 ? True False True True 1 1 False -1 False False -1 1469 101.461 34.777 14.81 1 ATOM C CB . CYS H 1 75 . 75 CYS H CB 560 19.23 1.0 ? True False False True 1 -1 False -1 False False -1 1470 98.427 33.52 14.365 1 ATOM S SG . CYS H 1 75 . 75 CYS H SG 561 26.57 1.0 ? True False False True 1 -1 False -1 False False -1 1471 98.158 35.302 13.919 1 HETATM X UNK . 8-22 H 1 76 . 76 8-22 H UNK 562 nan 0.0 ? True False False False 1 -1 False 22 True True 8 1472 nan nan nan 1 ATOM N N . TRP H 1 77 . 77 TRP H N 563 17.89 1.0 ? True False True True 1 1 False -1 False False -1 1473 104.515 37.517 12.595 1 ATOM C CA . TRP H 1 77 . 77 TRP H CA 564 15.49 1.0 ? True False True True 1 1 False -1 False False -1 1474 103.803 37.309 13.849 1 ATOM C C . TRP H 1 77 . 77 TRP H C 565 18.15 1.0 ? True False True True 1 1 False -1 False False -1 1475 102.696 38.315 14.134 1 ATOM O O . TRP H 1 77 . 77 TRP H O 566 18.66 1.0 ? True False True True 1 1 False -1 False False -1 1476 102.787 39.487 13.758 1 ATOM C CB . TRP H 1 77 . 77 TRP H CB 567 17.11 1.0 ? True False False True 1 -1 False -1 False False -1 1477 104.778 37.338 15.033 1 ATOM C CG . TRP H 1 77 . 77 TRP H CG 568 13.98 1.0 ? True False False True 1 -1 False -1 False False -1 1478 105.798 36.245 15.021 1 ATOM C CD1 . TRP H 1 77 . 77 TRP H CD1 569 17.13 1.0 ? True False False True 1 -1 False -1 False False -1 1479 106.953 36.193 14.286 1 ATOM C CD2 . TRP H 1 77 . 77 TRP H CD2 570 16.08 1.0 ? True False False True 1 -1 False -1 False False -1 1480 105.719 35.009 15.736 1 ATOM N NE1 . TRP H 1 77 . 77 TRP H NE1 571 13.65 1.0 ? True False False True 1 -1 False -1 False False -1 1481 107.597 34.994 14.501 1 ATOM C CE2 . TRP H 1 77 . 77 TRP H CE2 572 14.87 1.0 ? True False False True 1 -1 False -1 False False -1 1482 106.858 34.249 15.386 1 ATOM C CE3 . TRP H 1 77 . 77 TRP H CE3 573 14.04 1.0 ? True False False True 1 -1 False -1 False False -1 1483 104.792 34.466 16.641 1 ATOM C CZ2 . TRP H 1 77 . 77 TRP H CZ2 574 15.84 1.0 ? True False False True 1 -1 False -1 False False -1 1484 107.094 32.977 15.907 1 ATOM C CZ3 . TRP H 1 77 . 77 TRP H CZ3 575 16.35 1.0 ? True False False True 1 -1 False -1 False False -1 1485 105.029 33.2 17.159 1 ATOM C CH2 . TRP H 1 77 . 77 TRP H CH2 576 14.0 1.0 ? True False False True 1 -1 False -1 False False -1 1486 106.172 32.47 16.789 1 ATOM N N . GLY H 1 78 . 78 GLY H N 577 16.72 1.0 ? True False True True 1 1 False -1 False False -1 1487 101.655 37.845 14.819 1 ATOM C CA . GLY H 1 78 . 78 GLY H CA 578 20.51 1.0 ? True False True True 1 1 False -1 False False -1 1488 100.555 38.715 15.187 1 ATOM C C . GLY H 1 78 . 78 GLY H C 579 23.09 1.0 ? True False True True 1 1 False -1 False False -1 1489 100.893 39.392 16.508 1 ATOM O O . GLY H 1 78 . 78 GLY H O 580 24.9 1.0 ? True False True True 1 1 False -1 False False -1 1490 101.952 39.135 17.087 1 ATOM N N . GLN H 1 79 . 79 GLN H N 581 20.9 1.0 ? True False True True 1 1 False -1 False False -1 1491 100.009 40.258 16.991 1 ATOM C CA . GLN H 1 79 . 79 GLN H CA 582 20.62 1.0 ? True False True True 1 1 False -1 False False -1 1492 100.243 40.961 18.247 1 ATOM C C . GLN H 1 79 . 79 GLN H C 583 19.49 1.0 ? True False True True 1 1 False -1 False False -1 1493 99.739 40.152 19.439 1 ATOM O O . GLN H 1 79 . 79 GLN H O 584 19.81 1.0 ? True False True True 1 1 False -1 False False -1 1494 100.001 40.496 20.588 1 ATOM C CB . GLN H 1 79 . 79 GLN H CB 585 24.63 1.0 ? True False False True 1 -1 False -1 False False -1 1495 99.558 42.33 18.217 1 ATOM C CG . GLN H 1 79 . 79 GLN H CG 586 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1496 nan nan nan 1 ATOM C CD . GLN H 1 79 . 79 GLN H CD 587 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1497 nan nan nan 1 ATOM O OE1 . GLN H 1 79 . 79 GLN H OE1 588 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1498 nan nan nan 1 ATOM N NE2 . GLN H 1 79 . 79 GLN H NE2 589 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1499 nan nan nan 1 ATOM N N . GLY H 1 80 . 80 GLY H N 590 16.71 1.0 ? True False True True 1 1 False -1 False False -1 1500 99.006 39.079 19.16 1 ATOM C CA . GLY H 1 80 . 80 GLY H CA 591 15.63 1.0 ? True False True True 1 1 False -1 False False -1 1501 98.498 38.233 20.223 1 ATOM C C . GLY H 1 80 . 80 GLY H C 592 17.72 1.0 ? True False True True 1 1 False -1 False False -1 1502 97.11 38.583 20.722 1 ATOM O O . GLY H 1 80 . 80 GLY H O 593 19.98 1.0 ? True False True True 1 1 False -1 False False -1 1503 96.627 39.696 20.539 1 ATOM N N . THR H 1 81 . 81 THR H N 594 16.7 1.0 ? True False True True 1 1 False -1 False False -1 1504 96.459 37.613 21.349 1 ATOM C CA . THR H 1 81 . 81 THR H CA 595 16.18 1.0 ? True False True True 1 1 False -1 False False -1 1505 95.126 37.812 21.897 1 ATOM C C . THR H 1 81 . 81 THR H C 596 16.9 1.0 ? True False True True 1 1 False -1 False False -1 1506 95.105 36.993 23.177 1 ATOM O O . THR H 1 81 . 81 THR H O 597 18.69 1.0 ? True False True True 1 1 False -1 False False -1 1507 95.58 35.852 23.208 1 ATOM C CB . THR H 1 81 . 81 THR H CB 598 19.84 1.0 ? True False False True 1 -1 False -1 False False -1 1508 94.028 37.344 20.91 1 ATOM O OG1 . THR H 1 81 . 81 THR H OG1 599 15.56 1.0 ? True False False True 1 -1 False -1 False False -1 1509 92.738 37.714 21.415 1 ATOM C CG2 . THR H 1 81 . 81 THR H CG2 600 17.92 1.0 ? True False False True 1 -1 False -1 False False -1 1510 94.084 35.832 20.714 1 ATOM N N . LEU H 1 82 . 82 LEU H N 601 15.83 1.0 ? True False True True 1 1 False -1 False False -1 1511 94.577 37.592 24.236 1 ATOM C CA . LEU H 1 82 . 82 LEU H CA 602 17.2 1.0 ? True False True True 1 1 False -1 False False -1 1512 94.533 36.967 25.55 1 ATOM C C . LEU H 1 82 . 82 LEU H C 603 17.09 1.0 ? True False True True 1 1 False -1 False False -1 1513 93.391 35.996 25.815 1 ATOM O O . LEU H 1 82 . 82 LEU H O 604 17.3 1.0 ? True False True True 1 1 False -1 False False -1 1514 92.226 36.313 25.6 1 ATOM C CB . LEU H 1 82 . 82 LEU H CB 605 18.07 1.0 ? True False False True 1 -1 False -1 False False -1 1515 94.499 38.059 26.628 1 ATOM C CG . LEU H 1 82 . 82 LEU H CG 606 17.44 1.0 ? True False False True 1 -1 False -1 False False -1 1516 94.505 37.585 28.083 1 ATOM C CD1 . LEU H 1 82 . 82 LEU H CD1 607 14.87 1.0 ? True False False True 1 -1 False -1 False False -1 1517 95.843 36.924 28.386 1 ATOM C CD2 . LEU H 1 82 . 82 LEU H CD2 608 17.21 1.0 ? True False False True 1 -1 False -1 False False -1 1518 94.283 38.769 29.016 1 ATOM N N . VAL H 1 83 . 83 VAL H N 609 18.23 1.0 ? True False True True 1 1 False -1 False False -1 1519 93.74 34.812 26.299 1 ATOM C CA . VAL H 1 83 . 83 VAL H CA 610 18.96 1.0 ? True False True True 1 1 False -1 False False -1 1520 92.749 33.805 26.655 1 ATOM C C . VAL H 1 83 . 83 VAL H C 611 19.71 1.0 ? True False True True 1 1 False -1 False False -1 1521 92.888 33.581 28.155 1 ATOM O O . VAL H 1 83 . 83 VAL H O 612 17.86 1.0 ? True False True True 1 1 False -1 False False -1 1522 93.967 33.231 28.642 1 ATOM C CB . VAL H 1 83 . 83 VAL H CB 613 19.91 1.0 ? True False False True 1 -1 False -1 False False -1 1523 92.987 32.463 25.928 1 ATOM C CG1 . VAL H 1 83 . 83 VAL H CG1 614 19.98 1.0 ? True False False True 1 -1 False -1 False False -1 1524 92.016 31.407 26.457 1 ATOM C CG2 . VAL H 1 83 . 83 VAL H CG2 615 18.67 1.0 ? True False False True 1 -1 False -1 False False -1 1525 92.806 32.647 24.427 1 ATOM N N . THR H 1 84 . 84 THR H N 616 18.22 1.0 ? True False True True 1 1 False -1 False False -1 1526 91.801 33.803 28.886 1 ATOM C CA . THR H 1 84 . 84 THR H CA 617 19.88 1.0 ? True False True True 1 1 False -1 False False -1 1527 91.813 33.624 30.331 1 ATOM C C . THR H 1 84 . 84 THR H C 618 19.92 1.0 ? True False True True 1 1 False -1 False False -1 1528 90.857 32.516 30.734 1 ATOM O O . THR H 1 84 . 84 THR H O 619 20.19 1.0 ? True False True True 1 1 False -1 False False -1 1529 89.659 32.588 30.46 1 ATOM C CB . THR H 1 84 . 84 THR H CB 620 18.58 1.0 ? True False False True 1 -1 False -1 False False -1 1530 91.412 34.925 31.06 1 ATOM O OG1 . THR H 1 84 . 84 THR H OG1 621 19.0 1.0 ? True False False True 1 -1 False -1 False False -1 1531 92.362 35.951 30.756 1 ATOM C CG2 . THR H 1 84 . 84 THR H CG2 622 21.88 1.0 ? True False False True 1 -1 False -1 False False -1 1532 91.377 34.709 32.563 1 ATOM N N . VAL H 1 85 . 85 VAL H N 623 20.55 1.0 ? True False True True 1 1 False -1 False False -1 1533 91.391 31.489 31.381 1 ATOM C CA . VAL H 1 85 . 85 VAL H CA 624 22.09 1.0 ? True False True True 1 1 False -1 False False -1 1534 90.573 30.367 31.822 1 ATOM C C . VAL H 1 85 . 85 VAL H C 625 23.47 1.0 ? True False True True 1 1 False -1 False False -1 1535 90.508 30.336 33.346 1 ATOM O O . VAL H 1 85 . 85 VAL H O 626 22.95 1.0 ? True False True True 1 1 False -1 False False -1 1536 91.489 29.989 34.002 1 ATOM C CB . VAL H 1 85 . 85 VAL H CB 627 20.81 1.0 ? True False False True 1 -1 False -1 False False -1 1537 91.158 29.023 31.33 1 ATOM C CG1 . VAL H 1 85 . 85 VAL H CG1 628 18.61 1.0 ? True False False True 1 -1 False -1 False False -1 1538 90.224 27.889 31.694 1 ATOM C CG2 . VAL H 1 85 . 85 VAL H CG2 629 23.16 1.0 ? True False False True 1 -1 False -1 False False -1 1539 91.39 29.068 29.821 1 ATOM N N . SER H 1 86 . 86 SER H N 630 26.33 1.0 ? True False True True 1 1 False -1 False False -1 1540 89.36 30.71 33.906 1 ATOM C CA . SER H 1 86 . 86 SER H CA 631 28.84 1.0 ? True False True True 1 1 False -1 False False -1 1541 89.181 30.694 35.358 1 ATOM C C . SER H 1 86 . 86 SER H C 632 29.96 1.0 ? True False True True 1 1 False -1 False False -1 1542 87.701 30.651 35.735 1 ATOM O O . SER H 1 86 . 86 SER H O 633 31.98 1.0 ? True False True True 1 1 False -1 False False -1 1543 87.338 30.139 36.798 1 ATOM C CB . SER H 1 86 . 86 SER H CB 634 30.15 1.0 ? True False False True 1 -1 False -1 False False -1 1544 89.834 31.921 36.009 1 ATOM O OG . SER H 1 86 . 86 SER H OG 635 36.66 1.0 ? True False False True 1 -1 False -1 False False -1 1545 89.138 33.113 35.691 1 ATOM O OXT . SER H 1 86 . 86 SER H OXT 636 nan 0.0 ? True False False True 1 -1 False -1 False False -1 1546 nan nan nan 1 # _cell.length_a 72.03 _cell.length_b 91.48 _cell.length_c 135.735 _cell.angle_alpha 90.0 _cell.angle_beta 90.0 _cell.angle_gamma 90.0 # loop_ _condition_InternalCoordinate_1_atom.idx0 _condition_InternalCoordinate_1_atom.val0 _condition_InternalCoordinate_1_atom.val1 _condition_InternalCoordinate_1_atom.val2 0 nan nan nan 1 nan nan nan 2 nan nan nan 3 nan nan nan 4 nan nan nan 5 nan nan nan 6 nan nan nan 7 nan nan nan 8 nan nan nan 9 nan nan nan 10 nan nan nan 11 nan nan nan 12 nan nan nan 13 nan nan nan 14 nan nan nan 15 nan nan nan 16 nan nan nan 17 nan nan nan 18 nan nan nan 19 nan nan nan 20 nan nan nan 21 nan nan nan 22 nan nan nan 23 nan nan nan 24 nan nan nan 25 nan nan nan 26 nan nan nan 27 nan nan nan 28 nan nan nan 29 nan nan nan 30 nan nan nan 31 nan nan nan 32 nan nan nan 33 nan nan nan 34 nan nan nan 35 nan nan nan 36 nan nan nan 37 nan nan nan 38 nan nan nan 39 nan nan nan 40 nan nan nan 41 nan nan nan 42 nan nan nan 43 nan nan nan 44 nan nan nan 45 nan nan nan 46 nan nan nan 47 nan nan nan 48 nan nan nan 49 nan nan nan 50 nan nan nan 51 nan nan nan 52 nan nan nan 53 nan nan nan 54 nan nan nan 55 nan nan nan 56 nan nan nan 57 nan nan nan 58 nan nan nan 59 nan nan nan 60 nan nan nan 61 nan nan nan 62 nan nan nan 63 nan nan nan 64 nan nan nan 65 nan nan nan 66 nan nan nan 67 nan nan nan 68 nan nan nan 69 nan nan nan 70 nan nan nan 71 nan nan nan 72 nan nan nan 73 nan nan nan 74 nan nan nan 75 nan nan nan 76 nan nan nan 77 nan nan nan 78 nan nan nan 79 nan nan nan 80 nan nan nan 81 nan nan nan 82 nan nan nan 83 nan nan nan 84 nan nan nan 85 nan nan nan 86 nan nan nan 87 nan nan nan 88 nan nan nan 89 nan nan nan 90 nan nan nan 91 nan nan nan 92 nan nan nan 93 nan nan nan 94 nan nan nan 95 nan nan nan 96 nan nan nan 97 nan nan nan 98 nan nan nan 99 nan nan nan 100 nan nan nan 101 nan nan nan 102 nan nan nan 103 nan nan nan 104 nan nan nan 105 nan nan nan 106 nan nan nan 107 nan nan nan 108 nan nan nan 109 nan nan nan 110 nan nan nan 111 nan nan nan 112 nan nan nan 113 nan nan nan 114 nan nan nan 115 nan nan nan 116 nan nan nan 117 nan nan nan 118 nan nan nan 119 nan nan nan 120 nan nan nan 121 nan nan nan 122 nan nan nan 123 nan nan nan 124 nan nan nan 125 nan nan nan 126 nan nan nan 127 nan nan nan 128 nan nan nan 129 nan nan nan 130 nan nan nan 131 nan nan nan 132 nan nan nan 133 nan nan nan 134 nan nan nan 135 nan nan nan 136 nan nan nan 137 nan nan nan 138 nan nan nan 139 nan nan nan 140 nan nan nan 141 nan nan nan 142 nan nan nan 143 nan nan nan 144 nan nan nan 145 nan nan nan 146 nan nan nan 147 nan nan nan 148 nan nan nan 149 nan nan nan 150 nan nan nan 151 nan nan nan 152 nan nan nan 153 nan nan nan 154 nan nan nan 155 nan nan nan 156 nan nan nan 157 nan nan nan 158 nan nan nan 159 nan nan nan 160 nan nan nan 161 nan nan nan 162 nan nan nan 163 nan nan nan 164 nan nan nan 165 nan nan nan 166 nan nan nan 167 nan nan nan 168 nan nan nan 169 nan nan nan 170 nan nan nan 171 nan nan nan 172 nan nan nan 173 nan nan nan 174 nan nan nan 175 nan nan nan 176 nan nan nan 177 nan nan nan 178 nan nan nan 179 nan nan nan 180 nan nan nan 181 nan nan nan 182 nan nan nan 183 nan nan nan 184 nan nan nan 185 nan nan nan 186 nan nan nan 187 nan nan nan 188 nan nan nan 189 nan nan nan 190 nan nan nan 191 nan nan nan 192 nan nan nan 193 nan nan nan 194 nan nan nan 195 nan nan nan 196 nan nan nan 197 nan nan nan 198 nan nan nan 199 nan nan nan 200 nan nan nan 201 nan nan nan 202 nan nan nan 203 nan nan nan 204 nan nan nan 205 nan nan nan 206 nan nan nan 207 nan nan nan 208 nan nan nan 209 nan nan nan 210 nan nan nan 211 nan nan nan 212 nan nan nan 213 nan nan nan 214 nan nan nan 215 nan nan nan 216 nan nan nan 217 nan nan nan 218 nan nan nan 219 nan nan nan 220 nan nan nan 221 nan nan nan 222 nan nan nan 223 nan nan nan 224 nan nan nan 225 nan nan nan 226 nan nan nan 227 nan nan nan 228 nan nan nan 229 nan nan nan 230 nan nan nan 231 nan nan nan 232 nan nan nan 233 nan nan nan 234 nan nan nan 235 nan nan nan 236 nan nan nan 237 nan nan nan 238 nan nan nan 239 nan nan nan 240 nan nan nan 241 nan nan nan 242 nan nan nan 243 nan nan nan 244 nan nan nan 245 nan nan nan 246 nan nan nan 247 nan nan nan 248 nan nan nan 249 nan nan nan 250 nan nan nan 251 nan nan nan 252 nan nan nan 253 nan nan nan 254 nan nan nan 255 nan nan nan 256 nan nan nan 257 nan nan nan 258 nan nan nan 259 nan nan nan 260 nan nan nan 261 nan nan nan 262 nan nan nan 263 nan nan nan 264 nan nan nan 265 nan nan nan 266 nan nan nan 267 nan nan nan 268 nan nan nan 269 nan nan nan 270 nan nan nan 271 nan nan nan 272 nan nan nan 273 nan nan nan 274 nan nan nan 275 nan nan nan 276 nan nan nan 277 nan nan nan 278 nan nan nan 279 nan nan nan 280 nan nan nan 281 nan nan nan 282 nan nan nan 283 nan nan nan 284 nan nan nan 285 nan nan nan 286 nan nan nan 287 nan nan nan 288 nan nan nan 289 nan nan nan 290 nan nan nan 291 nan nan nan 292 nan nan nan 293 nan nan nan 294 nan nan nan 295 nan nan nan 296 nan nan nan 297 nan nan nan 298 nan nan nan 299 nan nan nan 300 nan nan nan 301 nan nan nan 302 nan nan nan 303 nan nan nan 304 nan nan nan 305 nan nan nan 306 nan nan nan 307 nan nan nan 308 nan nan nan 309 nan nan nan 310 nan nan nan 311 nan nan nan 312 nan nan nan 313 nan nan nan 314 nan nan nan 315 nan nan nan 316 nan nan nan 317 nan nan nan 318 nan nan nan 319 nan nan nan 320 nan nan nan 321 nan nan nan 322 nan nan nan 323 nan nan nan 324 nan nan nan 325 nan nan nan 326 nan nan nan 327 nan nan nan 328 nan nan nan 329 nan nan nan 330 nan nan nan 331 nan nan nan 332 nan nan nan 333 nan nan nan 334 nan nan nan 335 nan nan nan 336 nan nan nan 337 nan nan nan 338 nan nan nan 339 nan nan nan 340 nan nan nan 341 nan nan nan 342 nan nan nan 343 nan nan nan 344 nan nan nan 345 nan nan nan 346 nan nan nan 347 nan nan nan 348 nan nan nan 349 nan nan nan 350 nan nan nan 351 nan nan nan 352 nan nan nan 353 nan nan nan 354 nan nan nan 355 nan nan nan 356 nan nan nan 357 nan nan nan 358 nan nan nan 359 nan nan nan 360 nan nan nan 361 nan nan nan 362 nan nan nan 363 nan nan nan 364 nan nan nan 365 nan nan nan 366 nan nan nan 367 nan nan nan 368 nan nan nan 369 nan nan nan 370 nan nan nan 371 nan nan nan 372 nan nan nan 373 nan nan nan 374 nan nan nan 375 nan nan nan 376 nan nan nan 377 nan nan nan 378 nan nan nan 379 nan nan nan 380 nan nan nan 381 nan nan nan 382 nan nan nan 383 nan nan nan 384 nan nan nan 385 nan nan nan 386 nan nan nan 387 nan nan nan 388 nan nan nan 389 nan nan nan 390 nan nan nan 391 nan nan nan 392 nan nan nan 393 nan nan nan 394 nan nan nan 395 nan nan nan 396 nan nan nan 397 nan nan nan 398 nan nan nan 399 nan nan nan 400 nan nan nan 401 nan nan nan 402 nan nan nan 403 nan nan nan 404 nan nan nan 405 nan nan nan 406 nan nan nan 407 nan nan nan 408 nan nan nan 409 nan nan nan 410 nan nan nan 411 nan nan nan 412 nan nan nan 413 nan nan nan 414 nan nan nan 415 nan nan nan 416 nan nan nan 417 nan nan nan 418 nan nan nan 419 nan nan nan 420 nan nan nan 421 nan nan nan 422 nan nan nan 423 nan nan nan 424 nan nan nan 425 nan nan nan 426 nan nan nan 427 nan nan nan 428 nan nan nan 429 nan nan nan 430 nan nan nan 431 nan nan nan 432 nan nan nan 433 nan nan nan 434 nan nan nan 435 nan nan nan 436 nan nan nan 437 nan nan nan 438 nan nan nan 439 nan nan nan 440 nan nan nan 441 nan nan nan 442 nan nan nan 443 nan nan nan 444 nan nan nan 445 nan nan nan 446 nan nan nan 447 nan nan nan 448 nan nan nan 449 nan nan nan 450 nan nan nan 451 nan nan nan 452 nan nan nan 453 nan nan nan 454 nan nan nan 455 nan nan nan 456 nan nan nan 457 nan nan nan 458 nan nan nan 459 nan nan nan 460 nan nan nan 461 nan nan nan 462 nan nan nan 463 nan nan nan 464 nan nan nan 465 nan nan nan 466 nan nan nan 467 nan nan nan 468 nan nan nan 469 nan nan nan 470 nan nan nan 471 nan nan nan 472 nan nan nan 473 nan nan nan 474 nan nan nan 475 nan nan nan 476 nan nan nan 477 nan nan nan 478 nan nan nan 479 nan nan nan 480 nan nan nan 481 nan nan nan 482 nan nan nan 483 nan nan nan 484 nan nan nan 485 nan nan nan 486 nan nan nan 487 nan nan nan 488 nan nan nan 489 nan nan nan 490 nan nan nan 491 nan nan nan 492 nan nan nan 493 nan nan nan 494 nan nan nan 495 nan nan nan 496 nan nan nan 497 nan nan nan 498 nan nan nan 499 nan nan nan 500 nan nan nan 501 nan nan nan 502 nan nan nan 503 nan nan nan 504 nan nan nan 505 nan nan nan 506 nan nan nan 507 nan nan nan 508 nan nan nan 509 nan nan nan 510 nan nan nan 511 nan nan nan 512 nan nan nan 513 nan nan nan 514 nan nan nan 515 nan nan nan 516 nan nan nan 517 nan nan nan 518 nan nan nan 519 nan nan nan 520 nan nan nan 521 nan nan nan 522 nan nan nan 523 nan nan nan 524 nan nan nan 525 nan nan nan 526 nan nan nan 527 nan nan nan 528 nan nan nan 529 nan nan nan 530 nan nan nan 531 nan nan nan 532 nan nan nan 533 nan nan nan 534 nan nan nan 535 nan nan nan 536 nan nan nan 537 nan nan nan 538 nan nan nan 539 nan nan nan 540 nan nan nan 541 nan nan nan 542 nan nan nan 543 nan nan nan 544 nan nan nan 545 nan nan nan 546 nan nan nan 547 nan nan nan 548 nan nan nan 549 nan nan nan 550 nan nan nan 551 nan nan nan 552 nan nan nan 553 nan nan nan 554 nan nan nan 555 nan nan nan 556 nan nan nan 557 nan nan nan 558 nan nan nan 559 nan nan nan 560 nan nan nan 561 nan nan nan 562 nan nan nan 563 nan nan nan 564 nan nan nan 565 nan nan nan 566 nan nan nan 567 nan nan nan 568 nan nan nan 569 nan nan nan 570 nan nan nan 571 nan nan nan 572 nan nan nan 573 nan nan nan 574 nan nan nan 575 nan nan nan 576 nan nan nan 577 nan nan nan 578 nan nan nan 579 nan nan nan 580 nan nan nan 581 nan nan nan 582 nan nan nan 583 nan nan nan 584 nan nan nan 585 nan nan nan 586 nan nan nan 587 nan nan nan 588 nan nan nan 589 nan nan nan 590 nan nan nan 591 nan nan nan 592 nan nan nan 593 nan nan nan 594 nan nan nan 595 nan nan nan 596 nan nan nan 597 nan nan nan 598 nan nan nan 599 nan nan nan 600 nan nan nan 601 nan nan nan 602 nan nan nan 603 nan nan nan 604 nan nan nan 605 nan nan nan 606 nan nan nan 607 nan nan nan 608 nan nan nan 609 nan nan nan 610 nan nan nan 611 nan nan nan 612 nan nan nan 613 nan nan nan 614 nan nan nan 615 nan nan nan 616 nan nan nan 617 nan nan nan 618 nan nan nan 619 nan nan nan 620 nan nan nan 621 nan nan nan 622 nan nan nan 623 nan nan nan 624 nan nan nan 625 nan nan nan 626 nan nan nan 627 nan nan nan 628 nan nan nan 629 nan nan nan 630 nan nan nan 631 nan nan nan 632 nan nan nan 633 nan nan nan 634 nan nan nan 635 nan nan nan 636 nan nan nan 637 nan nan nan 638 nan nan nan 639 nan nan nan 640 nan nan nan 641 nan nan nan 642 nan nan nan 643 nan nan nan 644 nan nan nan 645 nan nan nan 646 nan nan nan 647 nan nan nan 648 nan nan nan 649 nan nan nan 650 nan nan nan 651 nan nan nan 652 nan nan nan 653 nan nan nan 654 nan nan nan 655 nan nan nan 656 nan nan nan 657 nan nan nan 658 nan nan nan 659 nan nan nan 660 nan nan nan 661 nan nan nan 662 nan nan nan 663 nan nan nan 664 nan nan nan 665 nan nan nan 666 nan nan nan 667 nan nan nan 668 nan nan nan 669 nan nan nan 670 nan nan nan 671 nan nan nan 672 nan nan nan 673 nan nan nan 674 nan nan nan 675 nan nan nan 676 nan nan nan 677 nan nan nan 678 nan nan nan 679 nan nan nan 680 nan nan nan 681 nan nan nan 682 nan nan nan 683 nan nan nan 684 nan nan nan 685 nan nan nan 686 nan nan nan 687 nan nan nan 688 nan nan nan 689 nan nan nan 690 nan nan nan 691 nan nan nan 692 nan nan nan 693 nan nan nan 694 nan nan nan 695 nan nan nan 696 nan nan nan 697 nan nan nan 698 nan nan nan 699 nan nan nan 700 nan nan nan 701 nan nan nan 702 nan nan nan 703 nan nan nan 704 nan nan nan 705 nan nan nan 706 nan nan nan 707 nan nan nan 708 nan nan nan 709 nan nan nan 710 nan nan nan 711 nan nan nan 712 nan nan nan 713 nan nan nan 714 nan nan nan 715 nan nan nan 716 nan nan nan 717 nan nan nan 718 nan nan nan 719 nan nan nan 720 nan nan nan 721 nan nan nan 722 nan nan nan 723 nan nan nan 724 nan nan nan 725 nan nan nan 726 nan nan nan 727 nan nan nan 728 nan nan nan 729 nan nan nan 730 nan nan nan 731 nan nan nan 732 nan nan nan 733 nan nan nan 734 nan nan nan 735 nan nan nan 736 nan nan nan 737 nan nan nan 738 nan nan nan 739 nan nan nan 740 nan nan nan 741 nan nan nan 742 nan nan nan 743 nan nan nan 744 nan nan nan 745 nan nan nan 746 nan nan nan 747 nan nan nan 748 nan nan nan 749 nan nan nan 750 nan nan nan 751 nan nan nan 752 nan nan nan 753 nan nan nan 754 nan nan nan 755 nan nan nan 756 nan nan nan 757 nan nan nan 758 nan nan nan 759 nan nan nan 760 nan nan nan 761 nan nan nan 762 nan nan nan 763 nan nan nan 764 nan nan nan 765 nan nan nan 766 nan nan nan 767 nan nan nan 768 nan nan nan 769 nan nan nan 770 nan nan nan 771 nan nan nan 772 nan nan nan 773 nan nan nan 774 nan nan nan 775 nan nan nan 776 nan nan nan 777 nan nan nan 778 nan nan nan 779 nan nan nan 780 nan nan nan 781 nan nan nan 782 nan nan nan 783 nan nan nan 784 nan nan nan 785 nan nan nan 786 nan nan nan 787 nan nan nan 788 nan nan nan 789 nan nan nan 790 nan nan nan 791 nan nan nan 792 nan nan nan 793 nan nan nan 794 nan nan nan 795 nan nan nan 796 nan nan nan 797 nan nan nan 798 nan nan nan 799 nan nan nan 800 nan nan nan 801 nan nan nan 802 nan nan nan 803 nan nan nan 804 nan nan nan 805 nan nan nan 806 nan nan nan 807 nan nan nan 808 nan nan nan 809 nan nan nan 810 nan nan nan 811 nan nan nan 812 nan nan nan 813 nan nan nan 814 nan nan nan 815 nan nan nan 816 nan nan nan 817 nan nan nan 818 nan nan nan 819 nan nan nan 820 nan nan nan 821 nan nan nan 822 nan nan nan 823 nan nan nan 824 nan nan nan 825 nan nan nan 826 nan nan nan 827 nan nan nan 828 nan nan nan 829 nan nan nan 830 nan nan nan 831 nan nan nan 832 nan nan nan 833 nan nan nan 834 nan nan nan 835 nan nan nan 836 nan nan nan 837 nan nan nan 838 nan nan nan 839 nan nan nan 840 nan nan nan 841 nan nan nan 842 nan nan nan 843 nan nan nan 844 nan nan nan 845 nan nan nan 846 nan nan nan 847 nan nan nan 848 nan nan nan 849 nan nan nan 850 nan nan nan 851 nan nan nan 852 nan nan nan 853 nan nan nan 854 nan nan nan 855 nan nan nan 856 nan nan nan 857 nan nan nan 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4.89190149307251 4.965484142303467 -2.09305739402771 1361 3.9119606018066406 5.996840953826904 -1.7314916849136353 1362 4.612149238586426 7.308856010437012 -1.3664054870605469 1363 5.674022197723389 7.321199893951416 -0.7359929084777832 1364 nan nan nan 1365 nan nan nan 1366 nan nan nan 1367 nan nan nan 1368 3.988389730453491 8.401938438415527 -1.7817089557647705 1369 4.512109279632568 9.751944541931152 -1.5129432678222656 1370 3.3842546939849854 10.678865432739258 -1.0429234504699707 1371 2.1987624168395996 10.400042533874512 -1.257379174232483 1372 nan nan nan 1373 nan nan nan 1374 nan nan nan 1375 nan nan nan 1376 3.8155386447906494 11.75864028930664 -0.4091908633708954 1377 2.923029899597168 12.795653343200684 0.14708483219146729 1378 1.673535704612732 12.153129577636719 0.7652060985565186 1379 0.5357457399368286 12.485350608825684 0.4088760018348694 1380 nan nan nan 1381 nan nan nan 1382 1.9243577718734741 11.24307918548584 1.684875249862671 1383 0.8634922504425049 10.512763023376465 2.3979032039642334 1384 0.026496266946196556 11.475375175476074 3.2494866847991943 1385 0.5200311541557312 12.500261306762695 3.7311224937438965 1386 nan nan nan 1387 nan nan nan 1388 nan nan nan 1389 nan nan nan 1390 -1.2282830476760864 11.111021995544434 3.411865472793579 1391 -2.1913580894470215 11.883686065673828 4.211960792541504 1392 -2.9263994693756104 10.919146537780762 5.134012699127197 1393 -2.972214460372925 9.710687637329102 4.881980895996094 1394 nan nan nan 1395 nan nan nan 1396 nan nan nan 1397 nan nan nan 1398 nan nan nan 1399 nan nan nan 1400 nan nan nan 1401 -3.491816997528076 11.454362869262695 6.200279235839844 1402 -4.241909980773926 10.627443313598633 7.153618812561035 1403 -5.218554973602295 9.760968208312988 6.353020668029785 1404 -5.542474746704102 8.636068344116211 6.739677906036377 1405 nan nan nan 1406 -5.630047798156738 10.34919548034668 5.259576797485352 1407 -6.570178985595703 9.773818969726562 4.29082727432251 1408 -6.094109058380127 8.39024829864502 3.792858123779297 1409 -6.90073823928833 7.534877777099609 3.4089066982269287 1410 nan nan nan 1411 nan nan nan 1412 nan nan nan 1413 nan nan nan 1414 nan nan nan 1415 -4.784321308135986 8.181827545166016 3.812370777130127 1416 -4.190906524658203 6.9232683181762695 3.3105061054229736 1417 -3.994408369064331 5.843242168426514 4.387936592102051 1418 -3.5467689037323 4.729787826538086 4.091771602630615 1419 nan nan nan 1420 nan nan nan 1421 nan nan nan 1422 nan nan nan 1423 -4.318531036376953 6.146595478057861 5.6306562423706055 1424 -4.16823673248291 5.140665531158447 6.7005295753479 1425 -5.093843460083008 3.9626834392547607 6.399711608886719 1426 -6.275506973266602 4.142653465270996 6.085948467254639 1427 nan nan nan 1428 nan nan nan 1429 nan nan nan 1430 -4.551594257354736 2.7632088661193848 6.496450424194336 1431 -5.337163925170898 1.5510377883911133 6.22878360748291 1432 -4.442807197570801 0.32041752338409424 6.156349182128906 1433 -3.2127671241760254 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nan nan 1459 nan nan nan 1460 nan nan nan 1461 nan nan nan 1462 nan nan nan 1463 nan nan nan 1464 nan nan nan 1465 nan nan nan 1466 -2.0432207584381104 -7.018373489379883 -1.092913031578064 1467 -1.6275571584701538 -7.279105186462402 -2.4728686809539795 1468 -2.486211061477661 -8.444451332092285 -2.9382312297821045 1469 -2.9694697856903076 -9.234586715698242 -2.1211090087890625 1470 nan nan nan 1471 nan nan nan 1472 nan nan nan 1473 -4.6486968994140625 -13.575879096984863 -2.393331289291382 1474 -4.523721218109131 -12.406155586242676 -1.5337697267532349 1475 -3.5549938678741455 -12.564631462097168 -0.3696525990962982 1476 -3.3975017070770264 -13.655893325805664 0.1849537044763565 1477 nan nan nan 1478 nan nan nan 1479 nan nan nan 1480 nan nan nan 1481 nan nan nan 1482 nan nan nan 1483 nan nan nan 1484 nan nan nan 1485 nan nan nan 1486 nan nan nan 1487 -2.919377088546753 -11.455456733703613 0.0038794076535850763 1488 -2.000880479812622 -11.46859359741211 1.1257131099700928 1489 -2.79325008392334 -11.233330726623535 2.404153347015381 1490 -4.012067794799805 -11.046263694763184 2.3564767837524414 1491 -2.1184608936309814 -11.244359970092773 3.548370361328125 1492 -2.7877774238586426 -11.03309154510498 4.826602935791016 1493 -2.8723485469818115 -9.548650741577148 5.171042442321777 1494 -3.5507986545562744 -9.16077995300293 6.1178483963012695 1495 nan nan nan 1496 nan nan nan 1497 nan nan nan 1498 nan nan nan 1499 nan nan nan 1500 -2.172048807144165 -8.72081184387207 4.402453899383545 1501 -2.2034859657287598 -7.289603233337402 4.635678291320801 1502 -1.114730715751648 -6.75773286819458 5.546596050262451 1503 -0.5168787837028503 -7.493863582611084 6.325204849243164 1504 -0.8485195636749268 -5.463655948638916 5.435547828674316 1505 0.15892452001571655 -4.81326961517334 6.259469032287598 1506 -0.4021356403827667 -3.429105043411255 6.540368556976318 1507 -0.9332083463668823 -2.765577793121338 5.642505645751953 1508 nan nan nan 1509 nan nan nan 1510 nan nan nan 1511 -0.3051622807979584 -3.011620044708252 7.795504570007324 1512 -0.8444579839706421 -1.7351350784301758 8.241488456726074 1513 0.015725916251540184 -0.5016259551048279 8.005335807800293 1514 1.1881335973739624 -0.46779415011405945 8.363465309143066 1515 nan nan nan 1516 nan nan nan 1517 nan nan nan 1518 nan nan nan 1519 -0.5873309969902039 0.5177181363105774 7.40937614440918 1520 0.09569256752729416 1.7827223539352417 7.172513008117676 1521 -0.6555868983268738 2.8314826488494873 7.981943607330322 1522 -1.8623324632644653 3.019834041595459 7.802485942840576 1523 nan nan nan 1524 nan nan nan 1525 nan nan nan 1526 0.055291783064603806 3.497385025024414 8.885510444641113 1527 -0.5546078085899353 4.52274751663208 9.720294952392578 1528 0.06989718228578568 5.876521587371826 9.435155868530273 1529 1.2778773307800293 6.057157039642334 9.588889122009277 1530 nan nan nan 1531 nan nan nan 1532 nan nan nan 1533 -0.7559705376625061 6.824984550476074 9.01462173461914 1534 -0.2736518979072571 8.165993690490723 8.712043762207031 1535 -0.834289014339447 9.162357330322266 9.722343444824219 1536 -2.0199902057647705 9.487177848815918 9.681119918823242 1537 nan nan nan 1538 nan nan nan 1539 nan nan nan 1540 0.01288272999227047 9.63478946685791 10.633655548095703 1541 -0.4135802686214447 10.613895416259766 11.633702278137207 1542 0.7789111137390137 11.377275466918945 12.207812309265137 1543 0.6404557228088379 12.524462699890137 12.642176628112793 1544 nan nan nan 1545 nan nan nan 1546 nan nan nan # 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 11-16 UNK X 0 N N nan nan nan 8-12 UNK X 0 N N nan nan nan 8-22 UNK X 0 N N nan nan nan 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 #