| data_design.cif |
| # |
| _entry.id design.cif |
| _entry.author unknown_user |
| _entry.date 2026-10-20 |
| _entry.time 10:25:28 |
| # |
| 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 |
| ALA ALA 'PEPTIDE LINKING' ? ? ? ? |
| ARG ARG 'L-PEPTIDE LINKING' ? ? ? ? |
| ASN ASN 'L-PEPTIDE LINKING' ? ? ? ? |
| ASP ASP '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' ? ? ? ? |
| SER SER 'L-PEPTIDE LINKING' ? ? ? ? |
| THR THR 'L-PEPTIDE LINKING' ? ? ? ? |
| TYR TYR 'L-PEPTIDE LINKING' ? ? ? ? |
| VAL VAL 'L-PEPTIDE LINKING' ? ? ? ? |
| # |
| loop_ |
| _chem_comp_bond.comp_id |
| _chem_comp_bond.atom_id_1 |
| _chem_comp_bond.atom_id_2 |
| _chem_comp_bond.value_order |
| _chem_comp_bond.pdbx_aromatic_flag |
| ALA N CA SING N |
| ALA N H SING N |
| ALA N H2 SING N |
| ALA CA C SING N |
| ALA CA CB SING N |
| ALA CA HA SING N |
| ALA C O DOUB N |
| ALA C OXT SING N |
| ALA CB HB1 SING N |
| ALA CB HB2 SING N |
| ALA CB HB3 SING N |
| ALA OXT HXT SING N |
| ARG N CA SING N |
| ARG N H SING N |
| ARG N H2 SING N |
| ARG CA C SING N |
| ARG CA CB SING N |
| ARG CA HA SING N |
| ARG C O DOUB N |
| ARG C OXT SING N |
| ARG CB CG SING N |
| ARG CB HB2 SING N |
| ARG CB HB3 SING N |
| ARG CG CD SING N |
| ARG CG HG2 SING N |
| ARG CG HG3 SING N |
| ARG CD NE SING N |
| ARG CD HD2 SING N |
| ARG CD HD3 SING N |
| ARG NE CZ SING N |
| ARG NE HE SING N |
| ARG CZ NH1 SING N |
| ARG CZ NH2 DOUB N |
| ARG NH1 HH11 SING N |
| ARG NH1 HH12 SING N |
| ARG NH2 HH21 SING N |
| ARG NH2 HH22 SING N |
| ARG OXT HXT SING N |
| ASN N CA SING N |
| ASN N H SING N |
| ASN N H2 SING N |
| ASN CA C SING N |
| ASN CA CB SING N |
| ASN CA HA SING N |
| ASN C O DOUB N |
| ASN C OXT SING N |
| ASN CB CG SING N |
| ASN CB HB2 SING N |
| ASN CB HB3 SING N |
| ASN CG OD1 DOUB N |
| ASN CG ND2 SING N |
| ASN ND2 HD21 SING N |
| ASN ND2 HD22 SING N |
| ASN OXT HXT SING N |
| ASP N CA SING N |
| ASP N H SING N |
| ASP N H2 SING N |
| ASP CA C SING N |
| ASP CA CB SING N |
| ASP CA HA SING N |
| ASP C O DOUB N |
| ASP C OXT SING N |
| ASP CB CG SING N |
| ASP CB HB2 SING N |
| ASP CB HB3 SING N |
| ASP CG OD1 DOUB N |
| ASP CG OD2 SING N |
| ASP OD2 HD2 SING N |
| ASP OXT HXT SING N |
| 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 |
| 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 |
| 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.B_iso_or_equiv |
| _atom_site.occupancy |
| _atom_site.pdbx_formal_charge |
| _atom_site.annotation_expsegmin_1_residue |
| _atom_site.annotation_expsegmax_1_residue |
| _atom_site.atomize |
| _atom_site.condition_sequence_1_residue |
| _atom_site.condition_CoordinateGroup_1_atom |
| _atom_site.condition_na-ss-state_1_residue |
| _atom_site.annotation_src-coordinate-conditioned-region_1_atom |
| _atom_site.annotation_src-component_1_atom |
| _atom_site.annotation_src-index-group_1_atom |
| _atom_site.is_unindexed_insertion |
| _atom_site.atom_array_index |
| _atom_site.Cartn_x |
| _atom_site.Cartn_y |
| _atom_site.Cartn_z |
| _atom_site.pdbx_PDB_model_num |
| _atom_site.id |
| ATOM N N . MET A 0 1 . 1 MET A N 55.12 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 0 -1.578 12.072 5.367 1 1 |
| ATOM C CA . MET A 0 1 . 1 MET A CA 61.21 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 1 -2.271 10.764 5.51 1 2 |
| ATOM C C . MET A 0 1 . 1 MET A C 13.32 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 2 -1.251 9.636 5.592 1 3 |
| ATOM O O . MET A 0 1 . 1 MET A O 44.44 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 3 -0.084 9.831 5.296 1 4 |
| ATOM C CB . MET A 0 1 . 1 MET A CB 75.25 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 4 -3.214 10.489 4.338 1 5 |
| ATOM C CG . MET A 0 1 . 1 MET A CG 54.41 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 5 -4.429 11.413 4.25 1 6 |
| ATOM S SD . MET A 0 1 . 1 MET A SD 71.24 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 6 -5.65 10.824 3.069 1 7 |
| ATOM C CE . MET A 0 1 . 1 MET A CE 72.4 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 7 -4.654 10.621 1.584 1 8 |
| ATOM N N . GLN A 0 2 . 2 GLN A N 63.43 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 8 -1.79 8.469 5.92 1 9 |
| ATOM C CA . GLN A 0 2 . 2 GLN A CA 72.25 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 9 -1.004 7.228 5.882 1 10 |
| ATOM C C . GLN A 0 2 . 2 GLN A C 43.4 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 10 -1.756 6.174 5.086 1 11 |
| ATOM O O . GLN A 0 2 . 2 GLN A O 61.13 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 11 -2.977 6.198 5.008 1 12 |
| ATOM C CB . GLN A 0 2 . 2 GLN A CB 71.34 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 12 -0.739 6.699 7.288 1 13 |
| ATOM C CG . GLN A 0 2 . 2 GLN A CG 32.34 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 13 0.216 7.548 8.099 1 14 |
| ATOM C CD . GLN A 0 2 . 2 GLN A CD 32.14 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 14 0.49 6.937 9.456 1 15 |
| ATOM O OE1 . GLN A 0 2 . 2 GLN A OE1 11.24 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 15 -0.208 6.042 9.925 1 16 |
| ATOM N NE2 . GLN A 0 2 . 2 GLN A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 16 1.535 7.415 10.12 1 17 |
| ATOM N N . MET A 0 3 . 3 MET A N 70.22 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 17 -0.99 5.221 4.533 1 18 |
| ATOM C CA . MET A 0 3 . 3 MET A CA 61.42 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 18 -1.593 4.098 3.81 1 19 |
| ATOM C C . MET A 0 3 . 3 MET A C 12.22 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 19 -0.919 2.809 4.245 1 20 |
| ATOM O O . MET A 0 3 . 3 MET A O 52.35 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 20 0.312 2.76 4.369 1 21 |
| ATOM C CB . MET A 0 3 . 3 MET A CB 21.25 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 21 -1.442 4.276 2.306 1 22 |
| ATOM C CG . MET A 0 3 . 3 MET A CG 64.24 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 22 -2.13 3.165 1.496 1 23 |
| ATOM S SD . MET A 0 3 . 3 MET A SD 11.54 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 23 -2.069 3.49 -0.233 1 24 |
| ATOM C CE . MET A 0 3 . 3 MET A CE 23.03 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 24 -3.057 2.145 -0.858 1 25 |
| ATOM N N . ILE A 0 4 . 4 ILE A N 64.41 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 25 -1.732 1.802 4.492 1 26 |
| ATOM C CA . ILE A 0 4 . 4 ILE A CA 71.44 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 26 -1.241 0.474 4.851 1 27 |
| ATOM C C . ILE A 0 4 . 4 ILE A C 41.05 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 27 -1.605 -0.488 3.723 1 28 |
| ATOM O O . ILE A 0 4 . 4 ILE A O 3.31 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 28 -2.775 -0.576 3.347 1 29 |
| ATOM C CB . ILE A 0 4 . 4 ILE A CB 4.51 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 29 -1.822 -0.005 6.189 1 30 |
| ATOM C CG1 . ILE A 0 4 . 4 ILE A CG1 nan 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 30 -1.449 0.972 7.312 1 31 |
| ATOM C CG2 . ILE A 0 4 . 4 ILE A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 31 -1.335 -1.421 6.511 1 32 |
| ATOM C CD1 . ILE A 0 4 . 4 ILE A CD1 nan 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 32 -2.125 0.672 8.64 1 33 |
| ATOM N N . ILE A 0 5 . 5 ILE A N 23.43 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 33 -0.633 -1.218 3.244 1 34 |
| ATOM C CA . ILE A 0 5 . 5 ILE A CA 2.14 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 34 -0.817 -2.214 2.199 1 35 |
| ATOM C C . ILE A 0 5 . 5 ILE A C 34.22 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 35 -0.368 -3.562 2.758 1 36 |
| ATOM O O . ILE A 0 5 . 5 ILE A O 12.12 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 36 0.735 -3.669 3.322 1 37 |
| ATOM C CB . ILE A 0 5 . 5 ILE A CB 35.23 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 37 -0.026 -1.853 0.93 1 38 |
| ATOM C CG1 . ILE A 0 5 . 5 ILE A CG1 35.34 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 38 -0.434 -0.466 0.403 1 39 |
| ATOM C CG2 . ILE A 0 5 . 5 ILE A CG2 71.23 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 39 -0.244 -2.917 -0.174 1 40 |
| ATOM C CD1 . ILE A 0 5 . 5 ILE A CD1 22.53 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 40 0.369 0.012 -0.769 1 41 |
| ATOM N N . ARG A 0 6 . 6 ARG A N 12.41 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 41 -1.205 -4.563 2.632 1 42 |
| ATOM C CA . ARG A 0 6 . 6 ARG A CA 41.44 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 42 -0.923 -5.921 3.135 1 43 |
| ATOM C C . ARG A 0 6 . 6 ARG A C 61.13 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 43 -1.05 -6.941 1.997 1 44 |
| ATOM O O . ARG A 0 6 . 6 ARG A O 42.4 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 44 -2.032 -6.927 1.269 1 45 |
| ATOM C CB . ARG A 0 6 . 6 ARG A CB 11.45 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 45 -1.875 -6.277 4.287 1 46 |
| ATOM C CG . ARG A 0 6 . 6 ARG A CG 54.14 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 46 -1.67 -5.423 5.488 1 47 |
| ATOM C CD . ARG A 0 6 . 6 ARG A CD 12.1 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 47 -2.74 -5.613 6.553 1 48 |
| ATOM N NE . ARG A 0 6 . 6 ARG A NE 33.33 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 48 -2.896 -7.0 7.002 1 49 |
| ATOM C CZ . ARG A 0 6 . 6 ARG A CZ 64.52 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 49 -2.193 -7.552 7.978 1 50 |
| ATOM N NH1 . ARG A 0 6 . 6 ARG A NH1 2.12 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 50 -1.285 -6.848 8.642 1 51 |
| ATOM N NH2 . ARG A 0 6 . 6 ARG A NH2 22.35 1.0 +1 -1 -1 False <M> -1 0 . A6 -1 False 51 -2.398 -8.811 8.291 1 52 |
| ATOM N N . PHE A 0 7 . 7 PHE A N 4.33 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 52 -0.016 -7.833 1.875 1 53 |
| ATOM C CA . PHE A 0 7 . 7 PHE A CA 30.45 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 53 0.004 -8.932 0.899 1 54 |
| ATOM C C . PHE A 0 7 . 7 PHE A C 42.31 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 54 0.12 -10.26 1.631 1 55 |
| ATOM O O . PHE A 0 7 . 7 PHE A O 40.14 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 55 0.922 -10.387 2.569 1 56 |
| ATOM C CB . PHE A 0 7 . 7 PHE A CB 53.54 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 56 1.181 -8.79 -0.063 1 57 |
| ATOM C CG . PHE A 0 7 . 7 PHE A CG 3.42 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 57 1.112 -7.614 -0.996 1 58 |
| ATOM C CD1 . PHE A 0 7 . 7 PHE A CD1 21.02 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 58 0.298 -7.633 -2.109 1 59 |
| ATOM C CD2 . PHE A 0 7 . 7 PHE A CD2 52.44 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 59 1.849 -6.452 -0.722 1 60 |
| ATOM C CE1 . PHE A 0 7 . 7 PHE A CE1 2.22 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 60 0.243 -6.549 -2.968 1 61 |
| ATOM C CE2 . PHE A 0 7 . 7 PHE A CE2 65.35 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 61 1.791 -5.358 -1.591 1 62 |
| ATOM C CZ . PHE A 0 7 . 7 PHE A CZ 2.42 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 62 0.98 -5.416 -2.695 1 63 |
| ATOM N N . ASN A 0 28 . 28 ASN A N 14.34 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 63 9.446 7.928 -6.021 1 64 |
| ATOM C CA . ASN A 0 28 . 28 ASN A CA 33.04 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 64 9.606 9.364 -6.314 1 65 |
| ATOM C C . ASN A 0 28 . 28 ASN A C 61.42 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 65 8.654 10.248 -5.522 1 66 |
| ATOM O O . ASN A 0 28 . 28 ASN A O 71.1 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 66 8.629 11.473 -5.715 1 67 |
| ATOM C CB . ASN A 0 28 . 28 ASN A CB 21.44 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 67 9.428 9.614 -7.817 1 68 |
| ATOM C CG . ASN A 0 28 . 28 ASN A CG 1.21 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 68 10.372 8.771 -8.647 1 69 |
| ATOM O OD1 . ASN A 0 28 . 28 ASN A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 69 9.957 7.948 -9.399 1 70 |
| ATOM N ND2 . ASN A 0 28 . 28 ASN A ND2 nan 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 70 11.676 9.0 -8.442 1 71 |
| ATOM N N . PHE A 0 29 . 29 PHE A N 15.12 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 71 7.858 9.654 -4.696 1 72 |
| ATOM C CA . PHE A 0 29 . 29 PHE A CA 13.31 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 72 7.048 10.425 -3.763 1 73 |
| ATOM C C . PHE A 0 29 . 29 PHE A C 20.31 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 73 7.936 11.014 -2.674 1 74 |
| ATOM O O . PHE A 0 29 . 29 PHE A O 0.4 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 74 8.971 10.457 -2.347 1 75 |
| ATOM C CB . PHE A 0 29 . 29 PHE A CB 14.1 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 75 5.993 9.542 -3.109 1 76 |
| ATOM C CG . PHE A 0 29 . 29 PHE A CG 20.15 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 76 4.938 9.0 -4.032 1 77 |
| ATOM C CD1 . PHE A 0 29 . 29 PHE A CD1 32.13 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 77 4.694 9.566 -5.267 1 78 |
| ATOM C CD2 . PHE A 0 29 . 29 PHE A CD2 71.53 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 78 4.176 7.925 -3.642 1 79 |
| ATOM C CE1 . PHE A 0 29 . 29 PHE A CE1 71.14 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 79 3.708 9.068 -6.107 1 80 |
| ATOM C CE2 . PHE A 0 29 . 29 PHE A CE2 72.12 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 80 3.2 7.418 -4.471 1 81 |
| ATOM C CZ . PHE A 0 29 . 29 PHE A CZ 23.22 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 81 2.966 7.984 -5.707 1 82 |
| ATOM N N . SER A 0 30 . 30 SER A N 42.43 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 82 7.498 12.057 -2.075 1 83 |
| ATOM C CA . SER A 0 30 . 30 SER A CA 61.3 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 83 8.172 12.624 -0.904 1 84 |
| ATOM C C . SER A 0 30 . 30 SER A C 2.4 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 84 7.617 11.989 0.376 1 85 |
| ATOM O O . SER A 0 30 . 30 SER A O 24.03 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 85 7.488 12.672 1.391 1 86 |
| ATOM C CB . SER A 0 30 . 30 SER A CB 33.53 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 86 8.007 14.147 -0.873 1 87 |
| ATOM O OG . SER A 0 30 . 30 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 87 6.658 14.489 -0.843 1 88 |
| ATOM N N . ALA A 0 31 . 31 ALA A N 21.44 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 88 7.245 10.771 0.29 1 89 |
| ATOM C CA . ALA A 0 31 . 31 ALA A CA 1.32 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 89 6.676 10.015 1.394 1 90 |
| ATOM C C . ALA A 0 31 . 31 ALA A C 62.21 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 90 7.701 9.033 1.911 1 91 |
| ATOM O O . ALA A 0 31 . 31 ALA A O 75.55 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 91 8.639 8.657 1.218 1 92 |
| ATOM C CB . ALA A 0 31 . 31 ALA A CB nan 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 92 5.416 9.277 0.937 1 93 |
| ATOM N N . SER A 0 32 . 32 SER A N 21.33 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 93 7.524 8.582 3.182 1 94 |
| ATOM C CA . SER A 0 32 . 32 SER A CA 63.51 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 94 8.378 7.576 3.793 1 95 |
| ATOM C C . SER A 0 32 . 32 SER A C 62.45 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 95 7.636 6.248 3.836 1 96 |
| ATOM O O . SER A 0 32 . 32 SER A O 31.21 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 96 6.415 6.209 3.831 1 97 |
| ATOM C CB . SER A 0 32 . 32 SER A CB 33.44 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 97 8.808 7.998 5.199 1 98 |
| ATOM O OG . SER A 0 32 . 32 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 98 7.704 8.179 6.039 1 99 |
| ATOM N N . ALA A 0 33 . 33 ALA A N 11.12 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 99 8.364 5.148 3.89 1 100 |
| ATOM C CA . ALA A 0 33 . 33 ALA A CA 62.52 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 100 7.81 3.81 3.874 1 101 |
| ATOM C C . ALA A 0 33 . 33 ALA A C 55.24 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 101 8.523 2.946 4.905 1 102 |
| ATOM O O . ALA A 0 33 . 33 ALA A O 50.25 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 102 9.705 3.097 5.144 1 103 |
| ATOM C CB . ALA A 0 33 . 33 ALA A CB 64.45 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 103 7.928 3.19 2.478 1 104 |
| ATOM N N . ASP A 0 34 . 34 ASP A N 11.53 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 104 7.786 2.06 5.498 1 105 |
| ATOM C CA . ASP A 0 34 . 34 ASP A CA 52.32 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 105 8.33 1.025 6.386 1 106 |
| ATOM C C . ASP A 0 34 . 34 ASP A C 60.03 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 106 7.578 -0.283 6.129 1 107 |
| ATOM O O . ASP A 0 34 . 34 ASP A O 31.21 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 107 6.484 -0.274 5.595 1 108 |
| ATOM C CB . ASP A 0 34 . 34 ASP A CB 42.34 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 108 8.197 1.43 7.861 1 109 |
| ATOM C CG . ASP A 0 34 . 34 ASP A CG nan 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 109 9.121 0.642 8.779 1 110 |
| ATOM O OD1 . ASP A 0 34 . 34 ASP A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 110 9.893 -0.2 8.251 1 111 |
| ATOM O OD2 . ASP A 0 34 . 34 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 111 9.048 0.862 10.0 1 112 |
| ATOM N N . HIS A 0 35 . 35 HIS A N 64.41 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 112 8.22 -1.409 6.526 1 113 |
| ATOM C CA . HIS A 0 35 . 35 HIS A CA 40.55 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 113 7.585 -2.708 6.254 1 114 |
| ATOM C C . HIS A 0 35 . 35 HIS A C 2.3 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 114 7.862 -3.704 7.387 1 115 |
| ATOM O O . HIS A 0 35 . 35 HIS A O 31.23 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 115 8.845 -3.562 8.119 1 116 |
| ATOM C CB . HIS A 0 35 . 35 HIS A CB 55.12 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 116 8.034 -3.279 4.897 1 117 |
| ATOM C CG . HIS A 0 35 . 35 HIS A CG 13.22 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 117 9.46 -3.675 4.828 1 118 |
| ATOM N ND1 . HIS A 0 35 . 35 HIS A ND1 nan 1.0 +1 -1 -1 False <M> -1 0 . A35 -1 False 118 9.939 -4.876 5.302 1 119 |
| ATOM C CD2 . HIS A 0 35 . 35 HIS A CD2 70.12 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 119 10.534 -3.011 4.35 1 120 |
| ATOM C CE1 . HIS A 0 35 . 35 HIS A CE1 52.41 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 120 11.237 -4.935 5.092 1 121 |
| ATOM N NE2 . HIS A 0 35 . 35 HIS A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 121 11.628 -3.792 4.526 1 122 |
| ATOM N N . SER A 0 36 . 36 SER A N 31.53 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 122 6.934 -4.681 7.498 1 123 |
| ATOM C CA . SER A 0 36 . 36 SER A CA 1.25 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 123 7.079 -5.77 8.46 1 124 |
| ATOM C C . SER A 0 36 . 36 SER A C 35.22 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 124 6.571 -7.068 7.842 1 125 |
| ATOM O O . SER A 0 36 . 36 SER A O 70.03 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 125 5.741 -7.039 6.927 1 126 |
| ATOM C CB . SER A 0 36 . 36 SER A CB 14.14 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 126 6.337 -5.469 9.759 1 127 |
| ATOM O OG . SER A 0 36 . 36 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 127 4.94 -5.386 9.544 1 128 |
| ATOM N N . LEU A 0 37 . 37 LEU A N 32.51 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 128 7.09 -8.204 8.386 1 129 |
| ATOM C CA . LEU A 0 37 . 37 LEU A CA 54.12 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 129 6.663 -9.533 7.957 1 130 |
| ATOM C C . LEU A 0 37 . 37 LEU A C 45.21 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 130 6.182 -10.299 9.177 1 131 |
| ATOM O O . LEU A 0 37 . 37 LEU A O 72.31 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 131 6.92 -10.431 10.164 1 132 |
| ATOM C CB . LEU A 0 37 . 37 LEU A CB 52.02 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 132 7.81 -10.28 7.283 1 133 |
| ATOM C CG . LEU A 0 37 . 37 LEU A CG 22.11 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 133 7.473 -11.661 6.726 1 134 |
| ATOM C CD1 . LEU A 0 37 . 37 LEU A CD1 44.41 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 134 6.448 -11.574 5.613 1 135 |
| ATOM C CD2 . LEU A 0 37 . 37 LEU A CD2 2.15 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 135 8.753 -12.326 6.208 1 136 |
| ATOM N N . ASP A 0 38 . 38 ASP A N 13.13 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 136 4.935 -10.813 9.137 1 137 |
| ATOM C CA . ASP A 0 38 . 38 ASP A CA 5.11 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 137 4.332 -11.609 10.211 1 138 |
| ATOM C C . ASP A 0 38 . 38 ASP A C 5.43 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 138 3.788 -12.898 9.61 1 139 |
| ATOM O O . ASP A 0 38 . 38 ASP A O 54.31 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 139 2.731 -12.918 8.976 1 140 |
| ATOM C CB . ASP A 0 38 . 38 ASP A CB 72.04 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 140 3.229 -10.828 10.924 1 141 |
| ATOM C CG . ASP A 0 38 . 38 ASP A CG 13.01 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 141 2.633 -11.613 12.096 1 142 |
| ATOM O OD1 . ASP A 0 38 . 38 ASP A OD1 32.41 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 142 3.312 -12.493 12.633 1 143 |
| ATOM O OD2 . ASP A 0 38 . 38 ASP A OD2 11.33 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 143 1.481 -11.305 12.477 1 144 |
| ATOM N N . GLY A 0 39 . 39 GLY A N 22.44 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 144 4.523 -13.926 9.865 1 145 |
| ATOM C CA . GLY A 0 39 . 39 GLY A CA 63.33 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 145 4.223 -15.215 9.235 1 146 |
| ATOM C C . GLY A 0 39 . 39 GLY A C 14.11 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 146 4.4 -15.129 7.721 1 147 |
| ATOM O O . GLY A 0 39 . 39 GLY A O 43.35 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 147 5.512 -14.983 7.233 1 148 |
| ATOM N N . ASP A 0 40 . 40 ASP A N 72.22 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 148 3.301 -15.207 7.027 1 149 |
| ATOM C CA . ASP A 0 40 . 40 ASP A CA 24.32 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 149 3.32 -15.104 5.553 1 150 |
| ATOM C C . ASP A 0 40 . 40 ASP A C 44.11 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 150 2.67 -13.815 5.072 1 151 |
| ATOM O O . ASP A 0 40 . 40 ASP A O 33.53 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 151 2.275 -13.708 3.912 1 152 |
| ATOM C CB . ASP A 0 40 . 40 ASP A CB 71.13 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 152 2.631 -16.315 4.937 1 153 |
| ATOM C CG . ASP A 0 40 . 40 ASP A CG 30.3 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 153 3.093 -16.608 3.531 1 154 |
| ATOM O OD1 . ASP A 0 40 . 40 ASP A OD1 22.21 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 154 4.228 -16.222 3.18 1 155 |
| ATOM O OD2 . ASP A 0 40 . 40 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 155 2.334 -17.253 2.76 1 156 |
| ATOM N N . VAL A 0 41 . 41 VAL A N 23.02 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 156 2.554 -12.789 5.891 1 157 |
| ATOM C CA . VAL A 0 41 . 41 VAL A CA 5.22 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 157 1.885 -11.53 5.568 1 158 |
| ATOM C C . VAL A 0 41 . 41 VAL A C 5.12 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 158 2.91 -10.406 5.58 1 159 |
| ATOM O O . VAL A 0 41 . 41 VAL A O 63.45 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 159 3.545 -10.133 6.613 1 160 |
| ATOM C CB . VAL A 0 41 . 41 VAL A CB 13.3 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 160 0.737 -11.232 6.56 1 161 |
| ATOM C CG1 . VAL A 0 41 . 41 VAL A CG1 nan 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 161 0.078 -9.899 6.213 1 162 |
| ATOM C CG2 . VAL A 0 41 . 41 VAL A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 162 -0.293 -12.364 6.521 1 163 |
| ATOM N N . LEU A 0 42 . 42 LEU A N 30.15 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 163 3.048 -9.76 4.448 1 164 |
| ATOM C CA . LEU A 0 42 . 42 LEU A CA 30.21 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 164 3.893 -8.579 4.323 1 165 |
| ATOM C C . LEU A 0 42 . 42 LEU A C 72.01 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 165 3.024 -7.338 4.505 1 166 |
| ATOM O O . LEU A 0 42 . 42 LEU A O 5.4 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 166 2.018 -7.182 3.803 1 167 |
| ATOM C CB . LEU A 0 42 . 42 LEU A CB 42.4 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 167 4.571 -8.55 2.966 1 168 |
| ATOM C CG . LEU A 0 42 . 42 LEU A CG 71.44 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 168 5.387 -7.289 2.634 1 169 |
| ATOM C CD1 . LEU A 0 42 . 42 LEU A CD1 11.55 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 169 6.588 -7.163 3.581 1 170 |
| ATOM C CD2 . LEU A 0 42 . 42 LEU A CD2 40.3 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 170 5.856 -7.329 1.198 1 171 |
| ATOM N N . THR A 0 43 . 43 THR A N 63.14 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 171 3.403 -6.401 5.441 1 172 |
| ATOM C CA . THR A 0 43 . 43 THR A CA 5.25 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 172 2.705 -5.141 5.694 1 173 |
| ATOM C C . THR A 0 43 . 43 THR A C 14.12 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 173 3.628 -3.979 5.354 1 174 |
| ATOM O O . THR A 0 43 . 43 THR A O 75.2 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 174 4.756 -3.92 5.84 1 175 |
| ATOM C CB . THR A 0 43 . 43 THR A CB 64.21 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 175 2.243 -5.043 7.159 1 176 |
| ATOM O OG1 . THR A 0 43 . 43 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 176 1.386 -6.137 7.442 1 177 |
| ATOM C CG2 . THR A 0 43 . 43 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 177 1.509 -3.735 7.403 1 178 |
| ATOM N N . ILE A 0 44 . 44 ILE A N 74.41 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 178 3.161 -3.074 4.541 1 179 |
| ATOM C CA . ILE A 0 44 . 44 ILE A CA 64.25 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 179 3.893 -1.873 4.129 1 180 |
| ATOM C C . ILE A 0 44 . 44 ILE A C 63.33 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 180 3.088 -0.667 4.573 1 181 |
| ATOM O O . ILE A 0 44 . 44 ILE A O 41.54 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 181 1.911 -0.526 4.204 1 182 |
| ATOM C CB . ILE A 0 44 . 44 ILE A CB 41.15 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 182 4.123 -1.843 2.615 1 183 |
| ATOM C CG1 . ILE A 0 44 . 44 ILE A CG1 32.13 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 183 4.865 -3.109 2.156 1 184 |
| ATOM C CG2 . ILE A 0 44 . 44 ILE A CG2 72.33 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 184 4.894 -0.594 2.195 1 185 |
| ATOM C CD1 . ILE A 0 44 . 44 ILE A CD1 63.44 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 185 4.894 -3.289 0.652 1 186 |
| ATOM N N . THR A 0 45 . 45 THR A N 41.23 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 186 3.697 0.217 5.378 1 187 |
| ATOM C CA . THR A 0 45 . 45 THR A CA 55.03 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 187 3.077 1.448 5.856 1 188 |
| ATOM C C . THR A 0 45 . 45 THR A C 44.2 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 188 3.765 2.634 5.197 1 189 |
| ATOM O O . THR A 0 45 . 45 THR A O 62.02 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 189 4.991 2.757 5.268 1 190 |
| ATOM C CB . THR A 0 45 . 45 THR A CB 41.1 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 190 3.162 1.56 7.38 1 191 |
| ATOM O OG1 . THR A 0 45 . 45 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 191 2.508 0.427 7.965 1 192 |
| ATOM C CG2 . THR A 0 45 . 45 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 192 2.501 2.815 7.858 1 193 |
| ATOM N N . LEU A 0 46 . 46 LEU A N 73.34 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 193 2.971 3.511 4.543 1 194 |
| ATOM C CA . LEU A 0 46 . 46 LEU A CA 5.32 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 194 3.474 4.727 3.903 1 195 |
| ATOM C C . LEU A 0 46 . 46 LEU A C 34.13 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 195 2.932 5.938 4.641 1 196 |
| ATOM O O . LEU A 0 46 . 46 LEU A O 13.2 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 196 1.716 6.006 4.894 1 197 |
| ATOM C CB . LEU A 0 46 . 46 LEU A CB 11.13 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 197 3.086 4.782 2.429 1 198 |
| ATOM C CG . LEU A 0 46 . 46 LEU A CG nan 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 198 3.668 3.672 1.54 1 199 |
| ATOM C CD1 . LEU A 0 46 . 46 LEU A CD1 73.2 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 199 2.595 2.646 1.227 1 200 |
| ATOM C CD2 . LEU A 0 46 . 46 LEU A CD2 nan 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 200 4.255 4.231 0.29 1 201 |
| ATOM N N . THR A 0 47 . 47 THR A N 3.35 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 201 3.794 6.924 4.942 1 202 |
| ATOM C CA . THR A 0 47 . 47 THR A CA 40.34 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 202 3.45 8.145 5.684 1 203 |
| ATOM C C . THR A 0 47 . 47 THR A C 2.24 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 203 3.745 9.366 4.825 1 204 |
| ATOM O O . THR A 0 47 . 47 THR A O 24.0 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 204 4.739 9.395 4.093 1 205 |
| ATOM C CB . THR A 0 47 . 47 THR A CB 44.01 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 205 4.241 8.229 6.993 1 206 |
| ATOM O OG1 . THR A 0 47 . 47 THR A OG1 43.14 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 206 3.936 7.086 7.794 1 207 |
| ATOM C CG2 . THR A 0 47 . 47 THR A CG2 1.2 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 207 3.877 9.503 7.794 1 208 |
| ATOM N N . GLY A 0 48 . 48 GLY A N 10.31 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 208 2.901 10.362 4.963 1 209 |
| ATOM C CA . GLY A 0 48 . 48 GLY A CA 72.24 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 209 3.095 11.593 4.216 1 210 |
| ATOM C C . GLY A 0 48 . 48 GLY A C 72.41 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 210 2.565 11.53 2.8 1 211 |
| ATOM O O . GLY A 0 48 . 48 GLY A O 55.0 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 211 3.04 12.286 1.95 1 212 |
| ATOM N N . ILE A 0 49 . 49 ILE A N 21.23 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 212 1.564 10.642 2.548 1 213 |
| ATOM C CA . ILE A 0 49 . 49 ILE A CA 15.53 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 213 1.0 10.519 1.21 1 214 |
| ATOM C C . ILE A 0 49 . 49 ILE A C 11.33 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 214 -0.128 11.529 1.004 1 215 |
| ATOM O O . ILE A 0 49 . 49 ILE A O 60.23 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 215 -0.787 11.935 1.953 1 216 |
| ATOM C CB . ILE A 0 49 . 49 ILE A CB 32.3 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 216 0.497 9.083 0.933 1 217 |
| ATOM C CG1 . ILE A 0 49 . 49 ILE A CG1 74.54 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 217 -0.68 8.732 1.85 1 218 |
| ATOM C CG2 . ILE A 0 49 . 49 ILE A CG2 13.52 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 218 1.635 8.087 1.068 1 219 |
| ATOM C CD1 . ILE A 0 49 . 49 ILE A CD1 nan 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 219 -1.363 7.433 1.49 1 220 |
| ATOM N N . THR A 0 50 . 50 THR A N 21.25 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 220 -0.371 11.902 -0.25 1 221 |
| ATOM C CA . THR A 0 50 . 50 THR A CA 63.22 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 221 -1.533 12.703 -0.674 1 222 |
| ATOM C C . THR A 0 50 . 50 THR A C 4.02 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 222 -2.636 11.761 -1.168 1 223 |
| ATOM O O . THR A 0 50 . 50 THR A O 51.33 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 223 -2.412 10.545 -1.319 1 224 |
| ATOM C CB . THR A 0 50 . 50 THR A CB 41.0 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 224 -1.15 13.665 -1.807 1 225 |
| ATOM O OG1 . THR A 0 50 . 50 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 225 -0.766 12.885 -2.96 1 226 |
| ATOM C CG2 . THR A 0 50 . 50 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 226 0.01 14.568 -1.402 1 227 |
| ATOM N N . GLU A 0 51 . 51 GLU A N 3.43 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 227 -3.851 12.339 -1.495 1 228 |
| ATOM C CA . GLU A 0 51 . 51 GLU A CA 40.15 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 228 -4.949 11.543 -2.054 1 229 |
| ATOM C C . GLU A 0 51 . 51 GLU A C 53.45 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 229 -4.551 10.935 -3.392 1 230 |
| ATOM O O . GLU A 0 51 . 51 GLU A O 44.05 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 230 -4.879 9.795 -3.685 1 231 |
| ATOM C CB . GLU A 0 51 . 51 GLU A CB 35.23 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 231 -6.209 12.397 -2.195 1 232 |
| ATOM C CG . GLU A 0 51 . 51 GLU A CG 64.23 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 232 -6.775 12.842 -0.853 1 233 |
| ATOM C CD . GLU A 0 51 . 51 GLU A CD 31.3 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 233 -8.016 13.652 -0.975 1 234 |
| ATOM O OE1 . GLU A 0 51 . 51 GLU A OE1 33.05 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 234 -8.738 13.516 -1.994 1 235 |
| ATOM O OE2 . GLU A 0 51 . 51 GLU A OE2 13.41 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 235 -8.328 14.434 -0.043 1 236 |
| ATOM N N . ASP A 0 52 . 52 ASP A N 71.23 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 236 -3.802 11.729 -4.213 1 237 |
| ATOM C CA . ASP A 0 52 . 52 ASP A CA 72.51 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 237 -3.353 11.204 -5.512 1 238 |
| ATOM C C . ASP A 0 52 . 52 ASP A C 35.43 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 238 -2.401 10.018 -5.324 1 239 |
| ATOM O O . ASP A 0 52 . 52 ASP A O 74.42 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 239 -2.499 9.017 -6.059 1 240 |
| ATOM C CB . ASP A 0 52 . 52 ASP A CB 64.43 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 240 -2.665 12.308 -6.328 1 241 |
| ATOM C CG . ASP A 0 52 . 52 ASP A CG 5.31 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 241 -3.625 13.362 -6.84 1 242 |
| ATOM O OD1 . ASP A 0 52 . 52 ASP A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 242 -4.867 13.157 -6.743 1 243 |
| ATOM O OD2 . ASP A 0 52 . 52 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 243 -3.168 14.388 -7.348 1 244 |
| ATOM N N . ASN A 0 53 . 53 ASN A N 51.43 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 244 -1.46 10.144 -4.406 1 245 |
| ATOM C CA . ASN A 0 53 . 53 ASN A CA 2.42 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 245 -0.542 9.035 -4.103 1 246 |
| ATOM C C . ASN A 0 53 . 53 ASN A C 53.14 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 246 -1.328 7.785 -3.7 1 247 |
| ATOM O O . ASN A 0 53 . 53 ASN A O 63.54 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 247 -1.013 6.682 -4.162 1 248 |
| ATOM C CB . ASN A 0 53 . 53 ASN A CB 55.32 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 248 0.415 9.407 -2.966 1 249 |
| ATOM C CG . ASN A 0 53 . 53 ASN A CG nan 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 249 1.431 10.471 -3.342 1 250 |
| ATOM O OD1 . ASN A 0 53 . 53 ASN A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 250 1.479 10.891 -4.484 1 251 |
| ATOM N ND2 . ASN A 0 53 . 53 ASN A ND2 nan 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 251 2.231 10.881 -2.365 1 252 |
| ATOM N N . ALA A 0 54 . 54 ALA A N 11.33 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 252 -2.321 7.979 -2.829 1 253 |
| ATOM C CA . ALA A 0 54 . 54 ALA A CA 45.33 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 253 -3.107 6.855 -2.339 1 254 |
| ATOM C C . ALA A 0 54 . 54 ALA A C 51.31 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 254 -3.781 6.118 -3.486 1 255 |
| ATOM O O . ALA A 0 54 . 54 ALA A O 71.43 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 255 -3.786 4.893 -3.52 1 256 |
| ATOM C CB . ALA A 0 54 . 54 ALA A CB 42.32 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 256 -4.128 7.344 -1.323 1 257 |
| ATOM N N . GLU A 0 55 . 55 GLU A N 31.44 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 257 -4.357 6.847 -4.434 1 258 |
| ATOM C CA . GLU A 0 55 . 55 GLU A CA 60.35 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 258 -5.021 6.23 -5.601 1 259 |
| ATOM C C . GLU A 0 55 . 55 GLU A C 71.42 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 259 -4.01 5.473 -6.471 1 260 |
| ATOM O O . GLU A 0 55 . 55 GLU A O 41.42 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 260 -4.284 4.364 -6.93 1 261 |
| ATOM C CB . GLU A 0 55 . 55 GLU A CB 43.34 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 261 -5.739 7.294 -6.436 1 262 |
| ATOM C CG . GLU A 0 55 . 55 GLU A CG 30.13 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 262 -6.935 7.919 -5.748 1 263 |
| ATOM C CD . GLU A 0 55 . 55 GLU A CD 40.14 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 263 -7.599 8.984 -6.578 1 264 |
| ATOM O OE1 . GLU A 0 55 . 55 GLU A OE1 nan 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 264 -7.121 9.277 -7.691 1 265 |
| ATOM O OE2 . GLU A 0 55 . 55 GLU A OE2 nan 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 265 -8.615 9.57 -6.119 1 266 |
| ATOM N N . GLN A 0 56 . 56 GLN A N 42.21 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 266 -2.873 6.063 -6.684 1 267 |
| ATOM C CA . GLN A 0 56 . 56 GLN A CA 42.03 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 267 -1.838 5.413 -7.499 1 268 |
| ATOM C C . GLN A 0 56 . 56 GLN A C 23.13 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 268 -1.303 4.154 -6.811 1 269 |
| ATOM O O . GLN A 0 56 . 56 GLN A O 2.13 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 269 -1.125 3.118 -7.47 1 270 |
| ATOM C CB . GLN A 0 56 . 56 GLN A CB 52.33 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 270 -0.686 6.39 -7.771 1 271 |
| ATOM C CG . GLN A 0 56 . 56 GLN A CG 31.24 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 271 -1.052 7.523 -8.7 1 272 |
| ATOM C CD . GLN A 0 56 . 56 GLN A CD 75.33 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 272 0.105 8.48 -8.964 1 273 |
| ATOM O OE1 . GLN A 0 56 . 56 GLN A OE1 60.04 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 273 1.248 8.05 -9.081 1 274 |
| ATOM N NE2 . GLN A 0 56 . 56 GLN A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 274 -0.188 9.749 -9.023 1 275 |
| ATOM N N . LEU A 0 57 . 57 LEU A N 70.34 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 275 -1.067 4.264 -5.519 1 276 |
| ATOM C CA . LEU A 0 57 . 57 LEU A CA 20.22 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 276 -0.557 3.107 -4.772 1 277 |
| ATOM C C . LEU A 0 57 . 57 LEU A C 20.22 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 277 -1.592 1.984 -4.703 1 278 |
| ATOM O O . LEU A 0 57 . 57 LEU A O 13.12 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 278 -1.231 0.792 -4.803 1 279 |
| ATOM C CB . LEU A 0 57 . 57 LEU A CB 64.33 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 279 -0.129 3.536 -3.366 1 280 |
| ATOM C CG . LEU A 0 57 . 57 LEU A CG 71.41 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 280 1.133 4.406 -3.307 1 281 |
| ATOM C CD1 . LEU A 0 57 . 57 LEU A CD1 63.45 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 281 1.269 5.05 -1.921 1 282 |
| ATOM C CD2 . LEU A 0 57 . 57 LEU A CD2 42.42 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 282 2.353 3.571 -3.625 1 283 |
| ATOM N N . ASN A 0 58 . 58 ASN A N 45.14 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 283 -2.876 2.306 -4.554 1 284 |
| ATOM C CA . ASN A 0 58 . 58 ASN A CA 52.34 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 284 -3.946 1.309 -4.518 1 285 |
| ATOM C C . ASN A 0 58 . 58 ASN A C 73.44 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 285 -4.011 0.558 -5.846 1 286 |
| ATOM O O . ASN A 0 58 . 58 ASN A O 32.03 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 286 -4.147 -0.663 -5.866 1 287 |
| ATOM C CB . ASN A 0 58 . 58 ASN A CB 14.25 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 287 -5.274 1.969 -4.203 1 288 |
| ATOM C CG . ASN A 0 58 . 58 ASN A CG nan 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 288 -6.397 0.96 -4.005 1 289 |
| ATOM O OD1 . ASN A 0 58 . 58 ASN A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 289 -6.407 0.221 -3.044 1 290 |
| ATOM N ND2 . ASN A 0 58 . 58 ASN A ND2 nan 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 290 -7.305 0.914 -4.953 1 291 |
| ATOM N N . GLU A 0 59 . 59 GLU A N 44.02 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 291 -3.937 1.3 -6.92 1 292 |
| ATOM C CA . GLU A 0 59 . 59 GLU A CA 65.23 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 292 -3.944 0.67 -8.258 1 293 |
| ATOM C C . GLU A 0 59 . 59 GLU A C 61.15 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 293 -2.694 -0.209 -8.449 1 294 |
| ATOM O O . GLU A 0 59 . 59 GLU A O 61.2 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 294 -2.802 -1.312 -9.01 1 295 |
| ATOM C CB . GLU A 0 59 . 59 GLU A CB 32.32 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 295 -4.018 1.754 -9.347 1 296 |
| ATOM C CG . GLU A 0 59 . 59 GLU A CG 13.01 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 296 -3.968 1.209 -10.778 1 297 |
| ATOM C CD . GLU A 0 59 . 59 GLU A CD 51.33 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 297 -5.145 0.318 -11.129 1 298 |
| ATOM O OE1 . GLU A 0 59 . 59 GLU A OE1 nan 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 298 -6.229 0.49 -10.495 1 299 |
| ATOM O OE2 . GLU A 0 59 . 59 GLU A OE2 nan 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 299 -5.023 -0.487 -12.086 1 300 |
| ATOM N N . LEU A 0 60 . 60 LEU A N 41.04 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 300 -1.554 0.244 -7.992 1 301 |
| ATOM C CA . LEU A 0 60 . 60 LEU A CA 33.4 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 301 -0.319 -0.542 -8.089 1 302 |
| ATOM C C . LEU A 0 60 . 60 LEU A C 53.34 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 302 -0.422 -1.831 -7.274 1 303 |
| ATOM O O . LEU A 0 60 . 60 LEU A O 14.14 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 303 -0.054 -2.915 -7.762 1 304 |
| ATOM C CB . LEU A 0 60 . 60 LEU A CB 65.21 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 304 0.877 0.293 -7.618 1 305 |
| ATOM C CG . LEU A 0 60 . 60 LEU A CG 10.23 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 305 2.239 -0.432 -7.591 1 306 |
| ATOM C CD1 . LEU A 0 60 . 60 LEU A CD1 nan 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 306 2.591 -0.962 -8.958 1 307 |
| ATOM C CD2 . LEU A 0 60 . 60 LEU A CD2 nan 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 307 3.314 0.493 -7.039 1 308 |
| ATOM N N . ALA A 0 61 . 61 ALA A N 10.32 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 308 -0.921 -1.738 -6.019 1 309 |
| ATOM C CA . ALA A 0 61 . 61 ALA A CA 72.3 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 309 -1.067 -2.91 -5.164 1 310 |
| ATOM C C . ALA A 0 61 . 61 ALA A C 41.42 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 310 -2.0 -3.931 -5.804 1 311 |
| ATOM O O . ALA A 0 61 . 61 ALA A O 33.51 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 311 -1.722 -5.137 -5.78 1 312 |
| ATOM C CB . ALA A 0 61 . 61 ALA A CB 30.0 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 312 -1.568 -2.485 -3.797 1 313 |
| ATOM N N . ASP A 0 62 . 62 ASP A N 4.12 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 313 -3.118 -3.476 -6.39 1 314 |
| ATOM C CA . ASP A 0 62 . 62 ASP A CA 33.23 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 314 -4.075 -4.365 -7.064 1 315 |
| ATOM C C . ASP A 0 62 . 62 ASP A C 1.24 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 315 -3.42 -5.044 -8.265 1 316 |
| ATOM O O . ASP A 0 62 . 62 ASP A O 32.32 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 316 -3.596 -6.259 -8.48 1 317 |
| ATOM C CB . ASP A 0 62 . 62 ASP A CB 15.01 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 317 -5.315 -3.589 -7.506 1 318 |
| ATOM C CG . ASP A 0 62 . 62 ASP A CG 52.35 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 318 -6.379 -4.497 -8.119 1 319 |
| ATOM O OD1 . ASP A 0 62 . 62 ASP A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 319 -6.965 -5.302 -7.37 1 320 |
| ATOM O OD2 . ASP A 0 62 . 62 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 320 -6.594 -4.384 -9.33 1 321 |
| ATOM N N . ARG A 0 63 . 63 ARG A N 4.41 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 321 -2.652 -4.282 -9.043 1 322 |
| ATOM C CA . ARG A 0 63 . 63 ARG A CA 2.54 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 322 -1.953 -4.841 -10.201 1 323 |
| ATOM C C . ARG A 0 63 . 63 ARG A C 23.41 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 323 -0.952 -5.915 -9.773 1 324 |
| ATOM O O . ARG A 0 63 . 63 ARG A O 2.13 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 324 -0.864 -6.97 -10.418 1 325 |
| ATOM C CB . ARG A 0 63 . 63 ARG A CB 12.44 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 325 -1.255 -3.723 -10.982 1 326 |
| ATOM C CG . ARG A 0 63 . 63 ARG A CG 32.2 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 326 -0.479 -4.182 -12.203 1 327 |
| ATOM C CD . ARG A 0 63 . 63 ARG A CD 5.32 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 327 -1.365 -4.895 -13.228 1 328 |
| ATOM N NE . ARG A 0 63 . 63 ARG A NE 71.53 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 328 -0.635 -5.227 -14.439 1 329 |
| ATOM C CZ . ARG A 0 63 . 63 ARG A CZ 14.02 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 329 -0.918 -6.287 -15.201 1 330 |
| ATOM N NH1 . ARG A 0 63 . 63 ARG A NH1 72.33 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 330 -1.891 -7.136 -14.927 1 331 |
| ATOM N NH2 . ARG A 0 63 . 63 ARG A NH2 35.2 1.0 +1 -1 -1 False <M> -1 0 . A63 -1 False 331 -0.225 -6.511 -16.294 1 332 |
| ATOM N N . ILE A 0 64 . 64 ILE A N 4.31 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 332 -0.203 -5.681 -8.714 1 333 |
| ATOM C CA . ILE A 0 64 . 64 ILE A CA 2.33 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 333 0.759 -6.663 -8.199 1 334 |
| ATOM C C . ILE A 0 64 . 64 ILE A C 3.42 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 334 0.027 -7.932 -7.769 1 335 |
| ATOM O O . ILE A 0 64 . 64 ILE A O 11.24 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 335 0.439 -9.045 -8.14 1 336 |
| ATOM C CB . ILE A 0 64 . 64 ILE A CB 20.54 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 336 1.584 -6.069 -7.041 1 337 |
| ATOM C CG1 . ILE A 0 64 . 64 ILE A CG1 nan 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 337 2.546 -4.993 -7.569 1 338 |
| ATOM C CG2 . ILE A 0 64 . 64 ILE A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 338 2.361 -7.173 -6.324 1 339 |
| ATOM C CD1 . ILE A 0 64 . 64 ILE A CD1 4.52 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 339 3.21 -4.202 -6.451 1 340 |
| ATOM N N . ALA A 0 65 . 65 ALA A N 22.02 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 340 -1.048 -7.776 -7.006 1 341 |
| ATOM C CA . ALA A 0 65 . 65 ALA A CA 42.2 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 341 -1.819 -8.924 -6.55 1 342 |
| ATOM C C . ALA A 0 65 . 65 ALA A C 22.03 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 342 -2.32 -9.759 -7.722 1 343 |
| ATOM O O . ALA A 0 65 . 65 ALA A O 30.4 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 343 -2.241 -10.984 -7.688 1 344 |
| ATOM C CB . ALA A 0 65 . 65 ALA A CB 44.44 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 344 -2.971 -8.453 -5.69 1 345 |
| ATOM N N . LYS A 0 66 . 66 LYS A N 64.34 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 345 -2.847 -9.117 -8.765 1 346 |
| ATOM C CA . LYS A 0 66 . 66 LYS A CA 60.33 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 346 -3.345 -9.82 -9.946 1 347 |
| ATOM C C . LYS A 0 66 . 66 LYS A C 44.21 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 347 -2.208 -10.523 -10.689 1 348 |
| ATOM O O . LYS A 0 66 . 66 LYS A O 54.15 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 348 -2.388 -11.637 -11.148 1 349 |
| ATOM C CB . LYS A 0 66 . 66 LYS A CB 34.21 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 349 -4.073 -8.858 -10.894 1 350 |
| ATOM C CG . LYS A 0 66 . 66 LYS A CG 55.5 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 350 -5.357 -8.248 -10.313 1 351 |
| ATOM C CD . LYS A 0 66 . 66 LYS A CD 74.04 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 351 -6.373 -9.339 -10.019 1 352 |
| ATOM C CE . LYS A 0 66 . 66 LYS A CE 45.11 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 352 -7.779 -8.766 -9.587 1 353 |
| ATOM N NZ . LYS A 0 66 . 66 LYS A NZ 31.51 1.0 +1 -1 -1 False <M> -1 0 . A66 -1 False 353 -7.642 -7.984 -8.325 1 354 |
| ATOM N N . THR A 0 67 . 67 THR A N 12.42 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 354 -1.09 -9.927 -10.819 1 355 |
| ATOM C CA . THR A 0 67 . 67 THR A CA 51.44 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 355 0.072 -10.503 -11.532 1 356 |
| ATOM C C . THR A 0 67 . 67 THR A C 65.43 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 356 0.589 -11.773 -10.844 1 357 |
| ATOM O O . THR A 0 67 . 67 THR A O 11.44 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 357 0.951 -12.75 -11.53 1 358 |
| ATOM C CB . THR A 0 67 . 67 THR A CB 35.22 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 358 1.209 -9.463 -11.638 1 359 |
| ATOM O OG1 . THR A 0 67 . 67 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 359 0.745 -8.345 -12.406 1 360 |
| ATOM C CG2 . THR A 0 67 . 67 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 360 2.425 -10.071 -12.338 1 361 |
| ATOM N N . TYR A 0 68 . 68 TYR A N 3.33 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 361 0.578 -11.741 -9.539 1 362 |
| ATOM C CA . TYR A 0 68 . 68 TYR A CA 40.02 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 362 1.196 -12.834 -8.777 1 363 |
| ATOM C C . TYR A 0 68 . 68 TYR A C 42.13 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 363 0.185 -13.772 -8.128 1 364 |
| ATOM O O . TYR A 0 68 . 68 TYR A O 4.35 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 364 0.581 -14.67 -7.38 1 365 |
| ATOM C CB . TYR A 0 68 . 68 TYR A CB 74.25 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 365 2.163 -12.268 -7.732 1 366 |
| ATOM C CG . TYR A 0 68 . 68 TYR A CG 51.15 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 366 3.374 -11.619 -8.355 1 367 |
| ATOM C CD1 . TYR A 0 68 . 68 TYR A CD1 22.05 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 367 4.399 -12.395 -8.886 1 368 |
| ATOM C CD2 . TYR A 0 68 . 68 TYR A CD2 44.23 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 368 3.491 -10.217 -8.42 1 369 |
| ATOM C CE1 . TYR A 0 68 . 68 TYR A CE1 24.23 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 369 5.493 -11.79 -9.47 1 370 |
| ATOM C CE2 . TYR A 0 68 . 68 TYR A CE2 24.13 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 370 4.594 -9.631 -9.013 1 371 |
| ATOM C CZ . TYR A 0 68 . 68 TYR A CZ 12.24 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 371 5.591 -10.413 -9.544 1 372 |
| ATOM O OH . TYR A 0 68 . 68 TYR A OH nan 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 372 6.704 -9.827 -10.125 1 373 |
| ATOM N N . ASN A 0 69 . 69 ASN A N 14.0 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 373 -1.056 -13.602 -8.441 1 374 |
| ATOM C CA . ASN A 0 69 . 69 ASN A CA 45.02 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 374 -2.145 -14.418 -7.872 1 375 |
| ATOM C C . ASN A 0 69 . 69 ASN A C 14.14 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 375 -2.078 -14.466 -6.339 1 376 |
| ATOM O O . ASN A 0 69 . 69 ASN A O 15.35 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 376 -2.032 -15.526 -5.724 1 377 |
| ATOM C CB . ASN A 0 69 . 69 ASN A CB 0.14 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 377 -2.138 -15.824 -8.47 1 378 |
| ATOM C CG . ASN A 0 69 . 69 ASN A CG 71.55 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 378 -3.444 -16.566 -8.209 1 379 |
| ATOM O OD1 . ASN A 0 69 . 69 ASN A OD1 35.42 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 379 -4.528 -15.931 -8.12 1 380 |
| ATOM N ND2 . ASN A 0 69 . 69 ASN A ND2 62.03 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 380 -3.385 -17.875 -8.047 1 381 |
| ATOM N N . ILE A 0 70 . 70 ILE A N 51.44 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 381 -2.103 -13.289 -5.769 1 382 |
| ATOM C CA . ILE A 0 70 . 70 ILE A CA 65.15 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 382 -2.056 -13.168 -4.304 1 383 |
| ATOM C C . ILE A 0 70 . 70 ILE A C 31.23 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 383 -3.125 -12.186 -3.823 1 384 |
| ATOM O O . ILE A 0 70 . 70 ILE A O 52.42 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 384 -3.667 -11.4 -4.629 1 385 |
| ATOM C CB . ILE A 0 70 . 70 ILE A CB 43.11 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 385 -0.65 -12.75 -3.801 1 386 |
| ATOM C CG1 . ILE A 0 70 . 70 ILE A CG1 61.24 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 386 -0.259 -11.361 -4.342 1 387 |
| ATOM C CG2 . ILE A 0 70 . 70 ILE A CG2 30.34 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 387 0.395 -13.812 -4.161 1 388 |
| ATOM C CD1 . ILE A 0 70 . 70 ILE A CD1 51.11 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 388 1.01 -10.814 -3.769 1 389 |
| ATOM N N . SER A 0 71 . 71 SER A N 22.03 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 389 -3.409 -12.274 -2.471 1 390 |
| ATOM C CA . SER A 0 71 . 71 SER A CA 31.14 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 390 -4.386 -11.391 -1.848 1 391 |
| ATOM C C . SER A 0 71 . 71 SER A C 45.13 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 391 -3.731 -10.082 -1.457 1 392 |
| ATOM O O . SER A 0 71 . 71 SER A O 64.41 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 392 -2.569 -10.043 -1.052 1 393 |
| ATOM C CB . SER A 0 71 . 71 SER A CB 75.41 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 393 -5.003 -12.05 -0.618 1 394 |
| ATOM O OG . SER A 0 71 . 71 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 394 -5.704 -13.217 -0.974 1 395 |
| ATOM N N . VAL A 0 72 . 72 VAL A N 71.31 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 395 -4.516 -9.004 -1.551 1 396 |
| ATOM C CA . VAL A 0 72 . 72 VAL A CA 21.44 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 396 -4.055 -7.686 -1.15 1 397 |
| ATOM C C . VAL A 0 72 . 72 VAL A C 31.25 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 397 -5.188 -6.944 -0.462 1 398 |
| ATOM O O . VAL A 0 72 . 72 VAL A O 73.2 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 398 -6.369 -7.164 -0.767 1 399 |
| ATOM C CB . VAL A 0 72 . 72 VAL A CB 14.11 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 399 -3.52 -6.9 -2.371 1 400 |
| ATOM C CG1 . VAL A 0 72 . 72 VAL A CG1 73.25 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 400 -4.648 -6.514 -3.328 1 401 |
| ATOM C CG2 . VAL A 0 72 . 72 VAL A CG2 13.24 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 401 -2.746 -5.684 -1.922 1 402 |
| ATOM N N . SER A 0 73 . 73 SER A N 12.25 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 402 -4.822 -6.083 0.491 1 403 |
| ATOM C CA . SER A 0 73 . 73 SER A CA 43.31 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 403 -5.779 -5.184 1.126 1 404 |
| ATOM C C . SER A 0 73 . 73 SER A C 42.41 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 404 -5.115 -3.846 1.389 1 405 |
| ATOM O O . SER A 0 73 . 73 SER A O 10.03 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 405 -3.894 -3.778 1.587 1 406 |
| ATOM C CB . SER A 0 73 . 73 SER A CB 12.11 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 406 -6.331 -5.777 2.424 1 407 |
| ATOM O OG . SER A 0 73 . 73 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 407 -5.335 -5.902 3.401 1 408 |
| ATOM N N . THR A 0 74 . 74 THR A N 14.22 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 408 -5.904 -2.807 1.402 1 409 |
| ATOM C CA . THR A 0 74 . 74 THR A CA 2.41 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 409 -5.411 -1.449 1.674 1 410 |
| ATOM C C . THR A 0 74 . 74 THR A C 31.32 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 410 -6.275 -0.761 2.739 1 411 |
| ATOM O O . THR A 0 74 . 74 THR A O 24.33 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 411 -7.481 -1.005 2.812 1 412 |
| ATOM C CB . THR A 0 74 . 74 THR A CB 71.53 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 412 -5.378 -0.58 0.405 1 413 |
| ATOM O OG1 . THR A 0 74 . 74 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 413 -6.7 -0.385 -0.093 1 414 |
| ATOM C CG2 . THR A 0 74 . 74 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 414 -4.508 -1.227 -0.689 1 415 |
| ATOM N N . THR A 0 75 . 75 THR A N 74.53 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 415 -5.614 0.085 3.54 1 416 |
| ATOM C CA . THR A 0 75 . 75 THR A CA 61.31 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 416 -6.288 0.9 4.56 1 417 |
| ATOM C C . THR A 0 75 . 75 THR A C 42.52 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 417 -5.721 2.307 4.496 1 418 |
| ATOM O O . THR A 0 75 . 75 THR A O 23.22 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 418 -4.511 2.492 4.495 1 419 |
| ATOM C CB . THR A 0 75 . 75 THR A CB 60.05 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 419 -6.083 0.317 5.957 1 420 |
| ATOM O OG1 . THR A 0 75 . 75 THR A OG1 54.01 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 420 -6.632 -0.994 6.015 1 421 |
| ATOM C CG2 . THR A 0 75 . 75 THR A CG2 40.25 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 421 -6.754 1.181 7.031 1 422 |
| ATOM N N . ILE A 0 76 . 76 ILE A N 44.14 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 422 -6.579 3.347 4.452 1 423 |
| ATOM C CA . ILE A 0 76 . 76 ILE A CA 43.11 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 423 -6.208 4.753 4.449 1 424 |
| ATOM C C . ILE A 0 76 . 76 ILE A C 4.14 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 424 -6.515 5.327 5.826 1 425 |
| ATOM O O . ILE A 0 76 . 76 ILE A O 35.03 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 425 -7.673 5.261 6.295 1 426 |
| ATOM C CB . ILE A 0 76 . 76 ILE A CB 23.03 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 426 -6.946 5.539 3.341 1 427 |
| ATOM C CG1 . ILE A 0 76 . 76 ILE A CG1 24.4 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 427 -6.699 4.908 1.949 1 428 |
| ATOM C CG2 . ILE A 0 76 . 76 ILE A CG2 10.3 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 428 -6.538 7.019 3.365 1 429 |
| ATOM C CD1 . ILE A 0 76 . 76 ILE A CD1 40.22 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 429 -5.242 4.951 1.539 1 430 |
| ATOM N N . ARG A 0 77 . 77 ARG A N 44.01 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 430 -5.502 5.87 6.427 1 431 |
| ATOM C CA . ARG A 0 77 . 77 ARG A CA 12.33 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 431 -5.659 6.563 7.706 1 432 |
| ATOM C C . ARG A 0 77 . 77 ARG A C 61.12 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 432 -5.67 8.067 7.424 1 433 |
| ATOM O O . ARG A 0 77 . 77 ARG A O 31.51 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 433 -4.61 8.663 7.189 1 434 |
| ATOM C CB . ARG A 0 77 . 77 ARG A CB 61.42 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 434 -4.522 6.189 8.663 1 435 |
| ATOM C CG . ARG A 0 77 . 77 ARG A CG 13.31 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 435 -4.414 4.668 8.946 1 436 |
| ATOM C CD . ARG A 0 77 . 77 ARG A CD 44.32 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 436 -5.611 4.131 9.767 1 437 |
| ATOM N NE . ARG A 0 77 . 77 ARG A NE 2.14 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 437 -5.644 4.747 11.085 1 438 |
| ATOM C CZ . ARG A 0 77 . 77 ARG A CZ 23.42 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 438 -6.641 4.571 11.905 1 439 |
| ATOM N NH1 . ARG A 0 77 . 77 ARG A NH1 72.52 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 439 -7.73 3.829 11.593 1 440 |
| ATOM N NH2 . ARG A 0 77 . 77 ARG A NH2 4.44 1.0 +1 -1 -1 False <M> -1 0 . A77 -1 False 440 -6.568 5.157 13.097 1 441 |
| ATOM N N . HIS A 0 78 . 78 HIS A N 50.44 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 441 -6.873 8.707 7.42 1 442 |
| ATOM C CA . HIS A 0 78 . 78 HIS A CA 72.22 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 442 -7.056 10.142 7.13 1 443 |
| ATOM C C . HIS A 0 78 . 78 HIS A C 3.21 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 443 -6.672 11.006 8.336 1 444 |
| ATOM O O . HIS A 0 78 . 78 HIS A O 41.33 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 444 -6.832 10.596 9.503 1 445 |
| ATOM C CB . HIS A 0 78 . 78 HIS A CB 71.24 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 445 -8.511 10.428 6.732 1 446 |
| ATOM C CG . HIS A 0 78 . 78 HIS A CG 15.42 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 446 -8.931 9.793 5.44 1 447 |
| ATOM N ND1 . HIS A 0 78 . 78 HIS A ND1 nan 1.0 +1 -1 -1 False <M> -1 0 . A78 -1 False 447 -8.628 10.312 4.2 1 448 |
| ATOM C CD2 . HIS A 0 78 . 78 HIS A CD2 63.21 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 448 -9.614 8.628 5.216 1 449 |
| ATOM C CE1 . HIS A 0 78 . 78 HIS A CE1 nan 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 449 -9.097 9.529 3.263 1 450 |
| ATOM N NE2 . HIS A 0 78 . 78 HIS A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 450 -9.712 8.501 3.829 1 451 |
| ATOM N N . HIS A 0 79 . 79 HIS A N 75.52 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 451 -6.148 12.237 8.102 1 452 |
| ATOM C CA . HIS A 0 79 . 79 HIS A CA 41.24 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 452 -5.866 13.209 9.138 1 453 |
| ATOM C C . HIS A 0 79 . 79 HIS A C 64.14 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 453 -7.184 13.702 9.702 1 454 |
| ATOM O O . HIS A 0 79 . 79 HIS A O 4.01 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 454 -7.37 13.807 10.895 1 455 |
| ATOM C CB . HIS A 0 79 . 79 HIS A CB 75.54 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 455 -5.031 14.366 8.564 1 456 |
| ATOM C CG . HIS A 0 79 . 79 HIS A CG 53.25 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 456 -4.645 15.377 9.584 1 457 |
| ATOM N ND1 . HIS A 0 79 . 79 HIS A ND1 nan 1.0 +1 -1 -1 False <M> -1 0 . A79 -1 False 457 -3.581 15.211 10.446 1 458 |
| ATOM C CD2 . HIS A 0 79 . 79 HIS A CD2 nan 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 458 -5.172 16.588 9.89 1 459 |
| ATOM C CE1 . HIS A 0 79 . 79 HIS A CE1 nan 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 459 -3.502 16.256 11.218 1 460 |
| ATOM N NE2 . HIS A 0 79 . 79 HIS A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 460 -4.459 17.115 10.895 1 461 |
| # |
| _cell.length_a 1.0 |
| _cell.length_b 1.0 |
| _cell.length_c 1.0 |
| _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 |
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| # |
| loop_ |
| _chem_comp_atom.comp_id |
| _chem_comp_atom.atom_id |
| _chem_comp_atom.type_symbol |
| _chem_comp_atom.charge |
| _chem_comp_atom.pdbx_aromatic_flag |
| _chem_comp_atom.pdbx_leaving_atom_flag |
| _chem_comp_atom.pdbx_model_Cartn_x_ideal |
| _chem_comp_atom.pdbx_model_Cartn_y_ideal |
| _chem_comp_atom.pdbx_model_Cartn_z_ideal |
| ALA N N 0 N N -0.9660000205039978 0.49300000071525574 1.5 |
| ALA CA C 0 N N 0.25699999928474426 0.4180000126361847 0.6919999718666077 |
| ALA C C 0 N N -0.09399999678134918 0.017000000923871994 -0.7160000205039978 |
| ALA O O 0 N N -1.055999994277954 -0.6819999814033508 -0.9229999780654907 |
| ALA CB C 0 N N 1.2039999961853027 -0.6200000047683716 1.2960000038146973 |
| ALA OXT O 0 N Y 0.6610000133514404 0.4390000104904175 -1.7419999837875366 |
| ALA H H 0 N N -1.3830000162124634 -0.42500001192092896 1.4819999933242798 |
| ALA H2 H 0 N Y -0.6759999990463257 0.6610000133514404 2.4519999027252197 |
| ALA HA H 0 N N 0.7459999918937683 1.3919999599456787 0.6819999814033508 |
| ALA HB1 H 0 N N 1.4589999914169312 -0.33000001311302185 2.315999984741211 |
| ALA HB2 H 0 N N 0.7149999737739563 -1.593999981880188 1.3070000410079956 |
| ALA HB3 H 0 N N 2.11299991607666 -0.6759999990463257 0.6970000267028809 |
| ALA HXT H 0 N Y 0.4350000023841858 0.18199999630451202 -2.6470000743865967 |
| ARG N N 0 N N -0.4690000116825104 1.1100000143051147 -0.9929999709129333 |
| ARG CA C 0 N N 0.004000000189989805 2.2939999103546143 -1.7079999446868896 |
| ARG C C 0 N N -0.9070000052452087 2.5209999084472656 -2.9010000228881836 |
| ARG O O 0 N N -1.8270000219345093 1.7890000343322754 -3.242000102996826 |
| ARG CB C 0 N N 1.475000023841858 2.1500000953674316 -2.127000093460083 |
| ARG CG C 0 N N 1.7450000047683716 1.0169999599456787 -3.130000114440918 |
| ARG CD C 0 N N 3.2100000381469727 0.9539999961853027 -3.556999921798706 |
| ARG NE N 0 N N 4.071000099182129 0.7260000109672546 -2.4210000038146973 |
| ARG CZ C 0 N N 5.468999862670898 0.6240000128746033 -2.5280001163482666 |
| ARG NH1 N 0 N N 6.258999824523926 0.40400001406669617 -1.4049999713897705 |
| ARG NH2 N 1 N N 6.078000068664551 0.7440000176429749 -3.7730000019073486 |
| ARG OXT O 0 N Y -0.5879999995231628 3.6589999198913574 -3.5739998817443848 |
| ARG H H 0 N N -0.057999998331069946 0.902999997138977 -0.10899999737739563 |
| ARG H2 H 0 N Y -1.0240000486373901 0.4519999921321869 -1.49399995803833 |
| ARG HA H 0 N N -0.10300000011920929 3.1519999504089355 -1.034000039100647 |
| ARG HB2 H 0 N N 2.0859999656677246 1.9880000352859497 -1.2300000190734863 |
| ARG HB3 H 0 N N 1.8140000104904175 3.0989999771118164 -2.562999963760376 |
| ARG HG2 H 0 N N 1.1360000371932983 1.1699999570846558 -4.0289998054504395 |
| ARG HG3 H 0 N N 1.4470000267028809 0.05400000140070915 -2.697999954223633 |
| ARG HD2 H 0 N N 3.3480000495910645 0.13300000131130219 -4.269000053405762 |
| ARG HD3 H 0 N N 3.505000114440918 1.8799999952316284 -4.061999797821045 |
| ARG HE H 0 N N 3.6740000247955322 0.6269999742507935 -1.4789999723434448 |
| ARG HH11 H 0 N N 7.270999908447266 0.3310000002384186 -1.4839999675750732 |
| ARG HH12 H 0 N N 5.857999801635742 0.3070000112056732 -0.47600001096725464 |
| ARG HH21 H 0 N N 5.53000020980835 0.906000018119812 -4.613999843597412 |
| ARG HH22 H 0 N N 7.0879998207092285 0.675000011920929 -3.874000072479248 |
| ARG HXT H 0 N Y -1.1490000486373901 3.8550000190734863 -4.355000019073486 |
| ASN N N 0 N N -0.2930000126361847 1.6859999895095825 0.09399999678134918 |
| ASN CA C 0 N N -0.4480000138282776 0.2919999957084656 -0.3400000035762787 |
| ASN C C 0 N N -1.8459999561309814 -0.17900000512599945 -0.03099999949336052 |
| ASN O O 0 N N -2.509999990463257 0.4020000100135803 0.7940000295639038 |
| ASN CB C 0 N N 0.5619999766349792 -0.5879999995231628 0.4009999930858612 |
| ASN CG C 0 N N 1.9600000381469727 -0.19699999690055847 -0.0020000000949949026 |
| ASN OD1 O 0 N N 2.131999969482422 0.6970000267028809 -0.8040000200271606 |
| ASN ND2 N 0 N N 3.0190000534057617 -0.8410000205039978 0.5270000100135803 |
| ASN OXT O 0 N Y -2.3529999256134033 -1.2430000305175781 -0.6729999780654907 |
| ASN H H 0 N N -0.9039999842643738 2.296999931335449 -0.4269999861717224 |
| ASN H2 H 0 N Y -0.453000009059906 1.7760000228881836 1.0859999656677246 |
| ASN HA H 0 N N -0.27000001072883606 0.22300000488758087 -1.4129999876022339 |
| ASN HB2 H 0 N N 0.44200000166893005 -0.45100000500679016 1.4759999513626099 |
| ASN HB3 H 0 N N 0.3889999985694885 -1.6330000162124634 0.1459999978542328 |
| ASN HD21 H 0 N N 2.88100004196167 -1.555999994277954 1.1679999828338623 |
| ASN HD22 H 0 N N 3.9189999103546143 -0.5899999737739563 0.2680000066757202 |
| ASN HXT H 0 N Y -3.253999948501587 -1.5080000162124634 -0.4410000145435333 |
| ASP N N 0 N N -0.31700000166893005 1.687999963760376 0.06599999964237213 |
| ASP CA C 0 N N -0.4699999988079071 0.28600001335144043 -0.3440000116825104 |
| ASP C C 0 N N -1.8680000305175781 -0.18000000715255737 -0.028999999165534973 |
| ASP O O 0 N N -2.5339999198913574 0.41499999165534973 0.7860000133514404 |
| ASP CB C 0 N N 0.5389999747276306 -0.5799999833106995 0.4129999876022339 |
| ASP CG C 0 N N 1.937999963760376 -0.19499999284744263 0.004000000189989805 |
| ASP OD1 O 0 N N 2.1089999675750732 0.6809999942779541 -0.8100000023841858 |
| ASP OD2 O 0 N N 2.992000102996826 -0.8259999752044678 0.5429999828338623 |
| ASP OXT O 0 N Y -2.374000072479248 -1.25600004196167 -0.6520000100135803 |
| ASP H H 0 N N -0.9279999732971191 2.2890000343322754 -0.46700000762939453 |
| ASP H2 H 0 N Y -0.4779999852180481 1.7949999570846558 1.055999994277954 |
| ASP HA H 0 N N -0.2919999957084656 0.19900000095367432 -1.4160000085830688 |
| ASP HB2 H 0 N N 0.4189999997615814 -0.42500001192092896 1.4850000143051147 |
| ASP HB3 H 0 N N 0.367000013589859 -1.6299999952316284 0.17599999904632568 |
| ASP HD2 H 0 N N 3.86899995803833 -0.5450000166893005 0.25 |
| ASP HXT H 0 N Y -3.2750000953674316 -1.5169999599456787 -0.41600000858306885 |
| 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 |
| 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 |
| 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 |
| # |
|
|
