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*** ***elNémo ID: 230402230049125176Job options:ID = 230402230049125176 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:data_SILGSANSSIGNALPEPTIDE_E0805_UNRELAXED_RANK_1_MODEL_3 # _entry.id SILGSANSSIGNALPEPTIDE_E0805_UNRELAXED_RANK_1_MODEL_3 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.362 # _software.pdbx_ordinal 1 _software.name alphafill _software.version 2.0.0 _software.date 2022-12-08T10:08:23Z _software.classification 'model annotation' # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_alt_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_alt_id _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_auth_atom_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_auth_atom_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_dist_value metalc1 metalc B CU . CU ? 1_555 A CYS 16 SG ? B CU 1 CU A CYS 16 SG 1_555 1.48142 metalc2 metalc B CU . CU ? 1_555 A CYS 16 SG ? B CU 1 CU A CYS 16 SG 1_555 1.48142 metalc3 metalc B CU . CU ? 1_555 A HIS 57 ND1 ? B CU 1 CU A HIS 57 ND1 1_555 2.228 metalc4 metalc C CU . CU ? 1_555 A CYS 15 SG ? C CU 1 CU A CYS 15 SG 1_555 1.84704 metalc5 metalc C CU . CU ? 1_555 A CYS 15 SG ? C CU 1 CU A CYS 15 SG 1_555 1.84704 metalc6 metalc C CU . CU ? 1_555 A HIS 69 NE2 ? C CU 1 CU A HIS 69 NE2 1_555 2.36121 metalc7 metalc C CU . CU ? 1_555 C CU 0 CU ? C CU 1 CU C CU 0 CU 1_555 0.000585724 metalc8 metalc D ZN . ZN ? 1_555 A ASP 26 OD1 ? D ZN 1 ZN A ASP 26 OD1 1_555 12.0507 metalc9 metalc D ZN . ZN ? 1_555 A ASP 26 OD2 ? D ZN 1 ZN A ASP 26 OD2 1_555 12.9793 metalc10 metalc D ZN . ZN ? 1_555 A HIS 69 NE2 ? D ZN 1 ZN A HIS 69 NE2 1_555 9.98429 metalc11 metalc D ZN . ZN ? 1_555 A GLU 101 OE2 ? D ZN 1 ZN A GLU 101 OE2 1_555 2.8518 metalc12 metalc E ZN . ZN ? 1_555 A HIS 33 ND1 ? E ZN 1 ZN A HIS 33 ND1 1_555 6.58451 metalc13 metalc E ZN . ZN ? 1_555 A HIS 33 NE2 ? E ZN 1 ZN A HIS 33 NE2 1_555 7.37321 metalc14 metalc E ZN . ZN ? 1_555 A GLU 67 OE1 ? E ZN 1 ZN A GLU 67 OE1 1_555 11.07 metalc15 metalc F ZN . ZN ? 1_555 A ASP 6 OD1 ? F ZN 1 ZN A ASP 6 OD1 1_555 10.5375 metalc16 metalc G ZN . ZN ? 1_555 A GLU 24 OE2 ? G ZN 1 ZN A GLU 24 OE2 1_555 2.72192 metalc17 metalc H ZN . ZN ? 1_555 A GLU 2 OE1 ? H ZN 1 ZN A GLU 2 OE1 1_555 11.539 metalc18 metalc H ZN . ZN ? 1_555 A GLU 2 OE2 ? H ZN 1 ZN A GLU 2 OE2 1_555 10.5652 metalc19 metalc H ZN . ZN ? 1_555 A ASP 26 OD1 ? H ZN 1 ZN A ASP 26 OD1 1_555 11.3654 metalc20 metalc H ZN . ZN ? 1_555 A ASP 26 OD2 ? H ZN 1 ZN A ASP 26 OD2 1_555 10.7412 metalc21 metalc I CU . CU ? 1_555 A CYS 15 SG ? I CU 1 CU A CYS 15 SG 1_555 11.3961 metalc22 metalc J ZN . ZN ? 1_555 A ASP 6 OD1 ? J ZN 1 ZN A ASP 6 OD1 1_555 13.0606 metalc23 metalc K CU . CU ? 1_555 A CYS 15 SG ? K CU 1 CU A CYS 15 SG 1_555 2.99307 metalc24 metalc K CU . CU ? 1_555 A MET 100 SD ? K CU 1 CU A MET 100 SD 1_555 2.42753 metalc25 metalc K CU . CU ? 1_555 A MET 100 SD ? K CU 1 CU A MET 100 SD 1_555 2.42753 metalc26 metalc K CU . CU ? 1_555 A MET 100 SD ? K CU 1 CU A MET 100 SD 1_555 2.42753 metalc27 metalc L ZN . ZN ? 1_555 A ASP 6 OD1 ? L ZN 1 ZN A ASP 6 OD1 1_555 3.1127 metalc28 metalc L ZN . ZN ? 1_555 A ASP 6 OD2 ? L ZN 1 ZN A ASP 6 OD2 1_555 4.39829 metalc29 metalc L ZN . ZN ? 1_555 A HIS 33 NE2 ? L ZN 1 ZN A HIS 33 NE2 1_555 2.30756 metalc30 metalc M ZN . ZN ? 1_555 A ASP 37 OD1 ? M ZN 1 ZN A ASP 37 OD1 1_555 3.36388 metalc31 metalc M ZN . ZN ? 1_555 A ASP 37 OD1 ? M ZN 1 ZN A ASP 37 OD1 1_555 3.36388 metalc32 metalc O ZN . ZN ? 1_555 A GLU 101 OE1 ? O ZN 1 ZN A GLU 101 OE1 1_555 6.09915 metalc33 metalc O ZN . ZN ? 1_555 A GLU 101 OE2 ? O ZN 1 ZN A GLU 101 OE2 1_555 8.25964 metalc34 metalc Q ZN . ZN ? 1_555 A HIS 33 ND1 ? Q ZN 1 ZN A HIS 33 ND1 1_555 2.31365 metalc35 metalc Q ZN . ZN ? 1_555 A HIS 33 ND1 ? Q ZN 1 ZN A HIS 33 ND1 1_555 2.31365 metalc36 metalc R ZN . ZN ? 1_555 A GLU 45 OE2 ? R ZN 1 ZN A GLU 45 OE2 1_555 10.5321 metalc37 metalc R ZN . ZN ? 1_555 A GLU 45 OE1 ? R ZN 1 ZN A GLU 45 OE1 1_555 11.2065 metalc38 metalc R ZN . ZN ? 1_555 A GLU 45 OE2 ? R ZN 1 ZN A GLU 45 OE2 1_555 10.5321 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'COPPER (II) ION' CU 3 'ZINC ION' ZN # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 1 2 CU 1 1 CU CU B . C 1 2 CU 1 1 CU CU C . D 1 3 ZN 1 1 ZN ZN D . E 1 3 ZN 1 1 ZN ZN E . F 1 3 ZN 1 1 ZN ZN F . G 1 3 ZN 1 1 ZN ZN G . H 1 3 ZN 1 1 ZN ZN H . I 1 2 CU 1 1 CU CU I . J 1 3 ZN 1 1 ZN ZN J . K 1 2 CU 1 1 CU CU K . L 1 3 ZN 1 1 ZN ZN L . M 1 3 ZN 1 1 ZN ZN M . N 1 3 ZN 1 1 ZN ZN N . O 1 3 ZN 1 1 ZN ZN O . P 1 3 ZN 1 1 ZN ZN P . Q 1 3 ZN 1 1 ZN ZN Q . R 1 3 ZN 1 1 ZN ZN R . # loop_ _atom_site.group_PDB _atom_site.id _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.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_auth_seq_id _atom_site.pdbx_auth_comp_id _atom_site.pdbx_auth_asym_id _atom_site.pdbx_auth_atom_name _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? -13.501 -12.953 8.489 1.00 57.94 ? 1 SER A N 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? -12.539 -13.196 7.419 1.00 57.94 ? 1 SER A CA 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? -12.087 -11.890 6.775 1.00 57.94 ? 1 SER A C 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? -11.043 -11.843 6.121 1.00 57.94 ? 1 SER A O 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? -13.141 -14.116 6.356 1.00 57.94 ? 1 SER A CB 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? -14.018 -13.397 5.506 1.00 57.94 ? 1 SER A OG 1 SER A OG 1 ATOM 7 N N . GLU A 1 2 ? -12.843 -10.628 7.030 1.00 66.54 ? 2 GLU A N 2 GLU A N 1 ATOM 8 C CA . GLU A 1 2 ? -12.621 -9.333 6.394 1.00 66.54 ? 2 GLU A CA 2 GLU A CA 1 ATOM 9 C C . GLU A 1 2 ? -11.483 -8.574 7.070 1.00 66.54 ? 2 GLU A C 2 GLU A C 1 ATOM 10 O O . GLU A 1 2 ? -10.945 -7.619 6.506 1.00 66.54 ? 2 GLU A O 2 GLU A O 1 ATOM 11 C CB . GLU A 1 2 ? -13.901 -8.495 6.420 1.00 66.54 ? 2 GLU A CB 2 GLU A CB 1 ATOM 12 C CG . GLU A 1 2 ? -14.966 -8.967 5.440 1.00 66.54 ? 2 GLU A CG 2 GLU A CG 1 ATOM 13 C CD . GLU A 1 2 ? -16.158 -8.028 5.351 1.00 66.54 ? 2 GLU A CD 2 GLU A CD 1 ATOM 14 O OE1 . GLU A 1 2 ? -16.855 -8.028 4.311 1.00 66.54 ? 2 GLU A OE1 2 GLU A OE1 1 ATOM 15 O OE2 . GLU A 1 2 ? -16.397 -7.284 6.329 1.00 66.54 ? 2 GLU A OE2 2 GLU A OE2 1 ATOM 16 N N . LYS A 1 3 ? -10.974 -9.194 8.043 1.00 87.30 ? 3 LYS A N 3 LYS A N 1 ATOM 17 C CA . LYS A 1 3 ? -9.942 -8.443 8.752 1.00 87.30 ? 3 LYS A CA 3 LYS A CA 1 ATOM 18 C C . LYS A 1 3 ? -8.580 -9.118 8.616 1.00 87.30 ? 3 LYS A C 3 LYS A C 1 ATOM 19 O O . LYS A 1 3 ? -7.638 -8.775 9.333 1.00 87.30 ? 3 LYS A O 3 LYS A O 1 ATOM 20 C CB . LYS A 1 3 ? -10.307 -8.293 10.229 1.00 87.30 ? 3 LYS A CB 3 LYS A CB 1 ATOM 21 C CG . LYS A 1 3 ? -11.470 -7.346 10.487 1.00 87.30 ? 3 LYS A CG 3 LYS A CG 1 ATOM 22 C CD . LYS A 1 3 ? -11.555 -6.951 11.955 1.00 87.30 ? 3 LYS A CD 3 LYS A CD 1 ATOM 23 C CE . LYS A 1 3 ? -12.731 -6.020 12.218 1.00 87.30 ? 3 LYS A CE 3 LYS A CE 1 ATOM 24 N NZ . LYS A 1 3 ? -12.660 -5.407 13.578 1.00 87.30 ? 3 LYS A NZ 3 LYS A NZ 1 ATOM 25 N N . VAL A 1 4 ? -8.544 -10.161 7.777 1.00 96.17 ? 4 VAL A N 4 VAL A N 1 ATOM 26 C CA . VAL A 1 4 ? -7.281 -10.843 7.516 1.00 96.17 ? 4 VAL A CA 4 VAL A CA 1 ATOM 27 C C . VAL A 1 4 ? -6.635 -10.271 6.257 1.00 96.17 ? 4 VAL A C 4 VAL A C 1 ATOM 28 O O . VAL A 1 4 ? -7.290 -10.137 5.221 1.00 96.17 ? 4 VAL A O 4 VAL A O 1 ATOM 29 C CB . VAL A 1 4 ? -7.479 -12.368 7.368 1.00 96.17 ? 4 VAL A CB 4 VAL A CB 1 ATOM 30 C CG1 . VAL A 1 4 ? -6.157 -13.053 7.026 1.00 96.17 ? 4 VAL A CG1 4 VAL A CG1 1 ATOM 31 C CG2 . VAL A 1 4 ? -8.074 -12.955 8.647 1.00 96.17 ? 4 VAL A CG2 4 VAL A CG2 1 ATOM 32 N N . ILE A 1 5 ? -5.350 -9.917 6.376 1.00 97.35 ? 5 ILE A N 5 ILE A N 1 ATOM 33 C CA . ILE A 1 5 ? -4.552 -9.447 5.249 1.00 97.35 ? 5 ILE A CA 5 ILE A CA 1 ATOM 34 C C . ILE A 1 5 ? -3.362 -10.380 5.035 1.00 97.35 ? 5 ILE A C 5 ILE A C 1 ATOM 35 O O . ILE A 1 5 ? -2.588 -10.633 5.961 1.00 97.35 ? 5 ILE A O 5 ILE A O 1 ATOM 36 C CB . ILE A 1 5 ? -4.064 -7.998 5.467 1.00 97.35 ? 5 ILE A CB 5 ILE A CB 1 ATOM 37 C CG1 . ILE A 1 5 ? -5.247 -7.024 5.426 1.00 97.35 ? 5 ILE A CG1 5 ILE A CG1 1 ATOM 38 C CG2 . ILE A 1 5 ? -3.008 -7.621 4.425 1.00 97.35 ? 5 ILE A CG2 5 ILE A CG2 1 ATOM 39 C CD1 . ILE A 1 5 ? -4.866 -5.574 5.693 1.00 97.35 ? 5 ILE A CD1 5 ILE A CD1 1 ATOM 40 N N . ASP A 1 6 ? -3.390 -11.003 3.810 1.00 97.89 ? 6 ASP A N 6 ASP A N 1 ATOM 41 C CA . ASP A 1 6 ? -2.197 -11.745 3.412 1.00 97.89 ? 6 ASP A CA 6 ASP A CA 1 ATOM 42 C C . ASP A 1 6 ? -1.187 -10.832 2.722 1.00 97.89 ? 6 ASP A C 6 ASP A C 1 ATOM 43 O O . ASP A 1 6 ? -1.448 -10.320 1.632 1.00 97.89 ? 6 ASP A O 6 ASP A O 1 ATOM 44 C CB . ASP A 1 6 ? -2.571 -12.907 2.490 1.00 97.89 ? 6 ASP A CB 6 ASP A CB 1 ATOM 45 C CG . ASP A 1 6 ? -3.300 -14.027 3.212 1.00 97.89 ? 6 ASP A CG 6 ASP A CG 1 ATOM 46 O OD1 . ASP A 1 6 ? -2.645 -14.832 3.908 1.00 97.89 ? 6 ASP A OD1 6 ASP A OD1 1 ATOM 47 O OD2 . ASP A 1 6 ? -4.541 -14.106 3.081 1.00 97.89 ? 6 ASP A OD2 6 ASP A OD2 1 ATOM 48 N N . MET A 1 7 ? -0.051 -10.589 3.406 1.00 98.02 ? 7 MET A N 7 MET A N 1 ATOM 49 C CA . MET A 1 7 ? 0.998 -9.735 2.858 1.00 98.02 ? 7 MET A CA 7 MET A CA 1 ATOM 50 C C . MET A 1 7 ? 2.140 -10.571 2.291 1.00 98.02 ? 7 MET A C 7 MET A C 1 ATOM 51 O O . MET A 1 7 ? 2.730 -11.387 3.001 1.00 98.02 ? 7 MET A O 7 MET A O 1 ATOM 52 C CB . MET A 1 7 ? 1.531 -8.782 3.930 1.00 98.02 ? 7 MET A CB 7 MET A CB 1 ATOM 53 C CG . MET A 1 7 ? 2.621 -7.847 3.432 1.00 98.02 ? 7 MET A CG 7 MET A CG 1 ATOM 54 S SD . MET A 1 7 ? 3.193 -6.681 4.728 1.00 98.02 ? 7 MET A SD 7 MET A SD 1 ATOM 55 C CE . MET A 1 7 ? 4.208 -7.797 5.737 1.00 98.02 ? 7 MET A CE 7 MET A CE 1 ATOM 56 N N . TYR A 1 8 ? 2.408 -10.364 1.039 1.00 97.75 ? 8 TYR A N 8 TYR A N 1 ATOM 57 C CA . TYR A 1 8 ? 3.513 -11.004 0.335 1.00 97.75 ? 8 TYR A CA 8 TYR A CA 1 ATOM 58 C C . TYR A 1 8 ? 4.660 -10.025 0.115 1.00 97.75 ? 8 TYR A C 8 TYR A C 1 ATOM 59 O O . TYR A 1 8 ? 4.467 -8.953 -0.462 1.00 97.75 ? 8 TYR A O 8 TYR A O 1 ATOM 60 C CB . TYR A 1 8 ? 3.040 -11.565 -1.010 1.00 97.75 ? 8 TYR A CB 8 TYR A CB 1 ATOM 61 C CG . TYR A 1 8 ? 1.853 -12.490 -0.899 1.00 97.75 ? 8 TYR A CG 8 TYR A CG 1 ATOM 62 C CD1 . TYR A 1 8 ? 2.024 -13.870 -0.825 1.00 97.75 ? 8 TYR A CD1 8 TYR A CD1 1 ATOM 63 C CD2 . TYR A 1 8 ? 0.557 -11.986 -0.868 1.00 97.75 ? 8 TYR A CD2 8 TYR A CD2 1 ATOM 64 C CE1 . TYR A 1 8 ? 0.933 -14.726 -0.724 1.00 97.75 ? 8 TYR A CE1 8 TYR A CE1 1 ATOM 65 C CE2 . TYR A 1 8 ? -0.542 -12.832 -0.768 1.00 97.75 ? 8 TYR A CE2 8 TYR A CE2 1 ATOM 66 C CZ . TYR A 1 8 ? -0.344 -14.199 -0.696 1.00 97.75 ? 8 TYR A CZ 8 TYR A CZ 1 ATOM 67 O OH . TYR A 1 8 ? -1.429 -15.042 -0.596 1.00 97.75 ? 8 TYR A OH 8 TYR A OH 1 ATOM 68 N N . LYS A 1 9 ? 5.814 -10.350 0.554 1.00 96.02 ? 9 LYS A N 9 LYS A N 1 ATOM 69 C CA . LYS A 1 9 ? 6.927 -9.406 0.508 1.00 96.02 ? 9 LYS A CA 9 LYS A CA 1 ATOM 70 C C . LYS A 1 9 ? 8.238 -10.118 0.186 1.00 96.02 ? 9 LYS A C 9 LYS A C 1 ATOM 71 O O . LYS A 1 9 ? 8.311 -11.347 0.234 1.00 96.02 ? 9 LYS A O 9 LYS A O 1 ATOM 72 C CB . LYS A 1 9 ? 7.050 -8.655 1.834 1.00 96.02 ? 9 LYS A CB 9 LYS A CB 1 ATOM 73 C CG . LYS A 1 9 ? 7.423 -9.541 3.014 1.00 96.02 ? 9 LYS A CG 9 LYS A CG 1 ATOM 74 C CD . LYS A 1 9 ? 7.661 -8.720 4.276 1.00 96.02 ? 9 LYS A CD 9 LYS A CD 1 ATOM 75 C CE . LYS A 1 9 ? 9.001 -7.999 4.230 1.00 96.02 ? 9 LYS A CE 9 LYS A CE 1 ATOM 76 N NZ . LYS A 1 9 ? 9.592 -7.843 5.593 1.00 96.02 ? 9 LYS A NZ 9 LYS A NZ 1 ATOM 77 N N . SER A 1 10 ? 9.227 -9.229 -0.243 1.00 89.80 ? 10 SER A N 10 SER A N 1 ATOM 78 C CA . SER A 1 10 ? 10.576 -9.755 -0.426 1.00 89.80 ? 10 SER A CA 10 SER A CA 1 ATOM 79 C C . SER A 1 10 ? 11.295 -9.908 0.910 1.00 89.80 ? 10 SER A C 10 SER A C 1 ATOM 80 O O . SER A 1 10 ? 10.871 -9.340 1.918 1.00 89.80 ? 10 SER A O 10 SER A O 1 ATOM 81 C CB . SER A 1 10 ? 11.387 -8.845 -1.349 1.00 89.80 ? 10 SER A CB 10 SER A CB 1 ATOM 82 O OG . SER A 1 10 ? 11.609 -7.583 -0.743 1.00 89.80 ? 10 SER A OG 10 SER A OG 1 ATOM 83 N N . GLU A 1 11 ? 12.356 -10.695 1.042 1.00 85.88 ? 11 GLU A N 11 GLU A N 1 ATOM 84 C CA . GLU A 1 11 ? 13.067 -11.050 2.267 1.00 85.88 ? 11 GLU A CA 11 GLU A CA 1 ATOM 85 C C . GLU A 1 11 ? 13.680 -9.817 2.925 1.00 85.88 ? 11 GLU A C 11 GLU A C 1 ATOM 86 O O . GLU A 1 11 ? 13.641 -9.677 4.150 1.00 85.88 ? 11 GLU A O 11 GLU A O 1 ATOM 87 C CB . GLU A 1 11 ? 14.156 -12.086 1.976 1.00 85.88 ? 11 GLU A CB 11 GLU A CB 1 ATOM 88 C CG . GLU A 1 11 ? 14.769 -12.701 3.225 1.00 85.88 ? 11 GLU A CG 11 GLU A CG 1 ATOM 89 C CD . GLU A 1 11 ? 15.709 -13.858 2.925 1.00 85.88 ? 11 GLU A CD 11 GLU A CD 1 ATOM 90 O OE1 . GLU A 1 11 ? 16.201 -14.504 3.878 1.00 85.88 ? 11 GLU A OE1 11 GLU A OE1 1 ATOM 91 O OE2 . GLU A 1 11 ? 15.957 -14.120 1.727 1.00 85.88 ? 11 GLU A OE2 11 GLU A OE2 1 ATOM 92 N N . ASN A 1 12 ? 14.006 -8.802 2.224 1.00 84.63 ? 12 ASN A N 12 ASN A N 1 ATOM 93 C CA . ASN A 1 12 ? 14.824 -7.742 2.803 1.00 84.63 ? 12 ASN A CA 12 ASN A CA 1 ATOM 94 C C . ASN A 1 12 ? 14.155 -6.378 2.662 1.00 84.63 ? 12 ASN A C 12 ASN A C 1 ATOM 95 O O . ASN A 1 12 ? 14.807 -5.395 2.304 1.00 84.63 ? 12 ASN A O 12 ASN A O 1 ATOM 96 C CB . ASN A 1 12 ? 16.211 -7.721 2.158 1.00 84.63 ? 12 ASN A CB 12 ASN A CB 1 ATOM 97 C CG . ASN A 1 12 ? 16.984 -9.004 2.393 1.00 84.63 ? 12 ASN A CG 12 ASN A CG 1 ATOM 98 O OD1 . ASN A 1 12 ? 17.025 -9.522 3.512 1.00 84.63 ? 12 ASN A OD1 12 ASN A OD1 1 ATOM 99 N ND2 . ASN A 1 12 ? 17.601 -9.527 1.340 1.00 84.63 ? 12 ASN A ND2 12 ASN A ND2 1 ATOM 100 N N . CYS A 1 13 ? 12.907 -6.277 3.055 1.00 87.88 ? 13 CYS A N 13 CYS A N 1 ATOM 101 C CA . CYS A 1 13 ? 12.292 -4.955 3.010 1.00 87.88 ? 13 CYS A CA 13 CYS A CA 1 ATOM 102 C C . CYS A 1 13 ? 11.702 -4.582 4.364 1.00 87.88 ? 13 CYS A C 13 CYS A C 1 ATOM 103 O O . CYS A 1 13 ? 10.567 -4.948 4.673 1.00 87.88 ? 13 CYS A O 13 CYS A O 1 ATOM 104 C CB . CYS A 1 13 ? 11.204 -4.907 1.938 1.00 87.88 ? 13 CYS A CB 13 CYS A CB 1 ATOM 105 S SG . CYS A 1 13 ? 10.591 -3.242 1.598 1.00 87.88 ? 13 CYS A SG 13 CYS A SG 1 ATOM 106 N N . GLY A 1 14 ? 12.413 -3.905 5.236 1.00 90.59 ? 14 GLY A N 14 GLY A N 1 ATOM 107 C CA . GLY A 1 14 ? 12.032 -3.581 6.601 1.00 90.59 ? 14 GLY A CA 14 GLY A CA 1 ATOM 108 C C . GLY A 1 14 ? 10.787 -2.717 6.684 1.00 90.59 ? 14 GLY A C 14 GLY A C 1 ATOM 109 O O . GLY A 1 14 ? 9.940 -2.922 7.556 1.00 90.59 ? 14 GLY A O 14 GLY A O 1 ATOM 110 N N . CYS A 1 15 ? 10.637 -1.742 5.748 1.00 94.05 ? 15 CYS A N 15 CYS A N 1 ATOM 111 C CA . CYS A 1 15 ? 9.479 -0.856 5.771 1.00 94.05 ? 15 CYS A CA 15 CYS A CA 1 ATOM 112 C C . CYS A 1 15 ? 8.192 -1.634 5.523 1.00 94.05 ? 15 CYS A C 15 CYS A C 1 ATOM 113 O O . CYS A 1 15 ? 7.138 -1.287 6.059 1.00 94.05 ? 15 CYS A O 15 CYS A O 1 ATOM 114 C CB . CYS A 1 15 ? 9.627 0.248 4.724 1.00 94.05 ? 15 CYS A CB 15 CYS A CB 1 ATOM 115 S SG . CYS A 1 15 ? 9.712 -0.365 3.027 1.00 94.05 ? 15 CYS A SG 15 CYS A SG 1 ATOM 116 N N . CYS A 1 16 ? 8.268 -2.733 4.822 1.00 94.79 ? 16 CYS A N 16 CYS A N 1 ATOM 117 C CA . CYS A 1 16 ? 7.119 -3.588 4.547 1.00 94.79 ? 16 CYS A CA 16 CYS A CA 1 ATOM 118 C C . CYS A 1 16 ? 6.598 -4.229 5.828 1.00 94.79 ? 16 CYS A C 16 CYS A C 1 ATOM 119 O O . CYS A 1 16 ? 5.386 -4.310 6.038 1.00 94.79 ? 16 CYS A O 16 CYS A O 1 ATOM 120 C CB . CYS A 1 16 ? 7.488 -4.674 3.537 1.00 94.79 ? 16 CYS A CB 16 CYS A CB 1 ATOM 121 S SG . CYS A 1 16 ? 8.078 -4.027 1.957 1.00 94.79 ? 16 CYS A SG 16 CYS A SG 1 ATOM 122 N N . SER A 1 17 ? 7.567 -4.640 6.653 1.00 94.68 ? 17 SER A N 17 SER A N 1 ATOM 123 C CA . SER A 1 17 ? 7.176 -5.216 7.936 1.00 94.68 ? 17 SER A CA 17 SER A CA 1 ATOM 124 C C . SER A 1 17 ? 6.508 -4.176 8.829 1.00 94.68 ? 17 SER A C 17 SER A C 1 ATOM 125 O O . SER A 1 17 ? 5.539 -4.480 9.527 1.00 94.68 ? 17 SER A O 17 SER A O 1 ATOM 126 C CB . SER A 1 17 ? 8.392 -5.807 8.651 1.00 94.68 ? 17 SER A CB 17 SER A CB 1 ATOM 127 O OG . SER A 1 17 ? 8.930 -6.892 7.914 1.00 94.68 ? 17 SER A OG 17 SER A OG 1 ATOM 128 N N . LEU A 1 18 ? 6.970 -3.004 8.737 1.00 96.53 ? 18 LEU A N 18 LEU A N 1 ATOM 129 C CA . LEU A 1 18 ? 6.377 -1.921 9.515 1.00 96.53 ? 18 LEU A CA 18 LEU A CA 1 ATOM 130 C C . LEU A 1 18 ? 4.971 -1.602 9.018 1.00 96.53 ? 18 LEU A C 18 LEU A C 1 ATOM 131 O O . LEU A 1 18 ? 4.092 -1.256 9.810 1.00 96.53 ? 18 LEU A O 18 LEU A O 1 ATOM 132 C CB . LEU A 1 18 ? 7.254 -0.668 9.444 1.00 96.53 ? 18 LEU A CB 18 LEU A CB 1 ATOM 133 C CG . LEU A 1 18 ? 8.609 -0.748 10.147 1.00 96.53 ? 18 LEU A CG 18 LEU A CG 1 ATOM 134 C CD1 . LEU A 1 18 ? 9.425 0.510 9.871 1.00 96.53 ? 18 LEU A CD1 18 LEU A CD1 1 ATOM 135 C CD2 . LEU A 1 18 ? 8.423 -0.953 11.647 1.00 96.53 ? 18 LEU A CD2 18 LEU A CD2 1 ATOM 136 N N . TRP A 1 19 ? 4.818 -1.695 7.690 1.00 97.60 ? 19 TRP A N 19 TRP A N 1 ATOM 137 C CA . TRP A 1 19 ? 3.474 -1.527 7.148 1.00 97.60 ? 19 TRP A CA 19 TRP A CA 1 ATOM 138 C C . TRP A 1 19 ? 2.515 -2.552 7.744 1.00 97.60 ? 19 TRP A C 19 TRP A C 1 ATOM 139 O O . TRP A 1 19 ? 1.391 -2.214 8.124 1.00 97.60 ? 19 TRP A O 19 TRP A O 1 ATOM 140 C CB . TRP A 1 19 ? 3.489 -1.651 5.622 1.00 97.60 ? 19 TRP A CB 19 TRP A CB 1 ATOM 141 C CG . TRP A 1 19 ? 2.156 -1.413 4.978 1.00 97.60 ? 19 TRP A CG 19 TRP A CG 1 ATOM 142 C CD1 . TRP A 1 19 ? 1.650 -0.217 4.550 1.00 97.60 ? 19 TRP A CD1 19 TRP A CD1 1 ATOM 143 C CD2 . TRP A 1 19 ? 1.157 -2.397 4.695 1.00 97.60 ? 19 TRP A CD2 19 TRP A CD2 1 ATOM 144 N NE1 . TRP A 1 19 ? 0.396 -0.399 4.015 1.00 97.60 ? 19 TRP A NE1 19 TRP A NE1 1 ATOM 145 C CE2 . TRP A 1 19 ? 0.070 -1.726 4.092 1.00 97.60 ? 19 TRP A CE2 19 TRP A CE2 1 ATOM 146 C CE3 . TRP A 1 19 ? 1.076 -3.782 4.891 1.00 97.60 ? 19 TRP A CE3 19 TRP A CE3 1 ATOM 147 C CZ2 . TRP A 1 19 ? -1.087 -2.395 3.684 1.00 97.60 ? 19 TRP A CZ2 19 TRP A CZ2 1 ATOM 148 C CZ3 . TRP A 1 19 ? -0.076 -4.446 4.484 1.00 97.60 ? 19 TRP A CZ3 19 TRP A CZ3 1 ATOM 149 C CH2 . TRP A 1 19 ? -1.140 -3.750 3.887 1.00 97.60 ? 19 TRP A CH2 19 TRP A CH2 1 ATOM 150 N N . GLY A 1 20 ? 2.969 -3.814 7.777 1.00 97.42 ? 20 GLY A N 20 GLY A N 1 ATOM 151 C CA . GLY A 1 20 ? 2.169 -4.858 8.397 1.00 97.42 ? 20 GLY A CA 20 GLY A CA 1 ATOM 152 C C . GLY A 1 20 ? 1.806 -4.555 9.839 1.00 97.42 ? 20 GLY A C 20 GLY A C 1 ATOM 153 O O . GLY A 1 20 ? 0.662 -4.755 10.252 1.00 97.42 ? 20 GLY A O 20 GLY A O 1 ATOM 154 N N . LYS A 1 21 ? 2.761 -4.042 10.628 1.00 97.14 ? 21 LYS A N 21 LYS A N 1 ATOM 155 C CA . LYS A 1 21 ? 2.516 -3.679 12.020 1.00 97.14 ? 21 LYS A CA 21 LYS A CA 1 ATOM 156 C C . LYS A 1 21 ? 1.471 -2.571 12.124 1.00 97.14 ? 21 LYS A C 21 LYS A C 1 ATOM 157 O O . LYS A 1 21 ? 0.625 -2.592 13.019 1.00 97.14 ? 21 LYS A O 21 LYS A O 1 ATOM 158 C CB . LYS A 1 21 ? 3.816 -3.238 12.696 1.00 97.14 ? 21 LYS A CB 21 LYS A CB 1 ATOM 159 C CG . LYS A 1 21 ? 4.793 -4.374 12.960 1.00 97.14 ? 21 LYS A CG 21 LYS A CG 1 ATOM 160 C CD . LYS A 1 21 ? 6.046 -3.880 13.671 1.00 97.14 ? 21 LYS A CD 21 LYS A CD 1 ATOM 161 C CE . LYS A 1 21 ? 7.026 -5.015 13.933 1.00 97.14 ? 21 LYS A CE 21 LYS A CE 1 ATOM 162 N NZ . LYS A 1 21 ? 8.276 -4.528 14.589 1.00 97.14 ? 21 LYS A NZ 21 LYS A NZ 1 ATOM 163 N N . ALA A 1 22 ? 1.586 -1.655 11.209 1.00 97.18 ? 22 ALA A N 22 ALA A N 1 ATOM 164 C CA . ALA A 1 22 ? 0.598 -0.579 11.194 1.00 97.18 ? 22 ALA A CA 22 ALA A CA 1 ATOM 165 C C . ALA A 1 22 ? -0.804 -1.126 10.939 1.00 97.18 ? 22 ALA A C 22 ALA A C 1 ATOM 166 O O . ALA A 1 22 ? -1.776 -0.661 11.539 1.00 97.18 ? 22 ALA A O 22 ALA A O 1 ATOM 167 C CB . ALA A 1 22 ? 0.961 0.461 10.137 1.00 97.18 ? 22 ALA A CB 22 ALA A CB 1 ATOM 168 N N . MET A 1 23 ? -0.896 -2.088 10.018 1.00 97.85 ? 23 MET A N 23 MET A N 1 ATOM 169 C CA . MET A 1 23 ? -2.185 -2.712 9.734 1.00 97.85 ? 23 MET A CA 23 MET A CA 1 ATOM 170 C C . MET A 1 23 ? -2.710 -3.457 10.957 1.00 97.85 ? 23 MET A C 23 MET A C 1 ATOM 171 O O . MET A 1 23 ? -3.902 -3.393 11.263 1.00 97.85 ? 23 MET A O 23 MET A O 1 ATOM 172 C CB . MET A 1 23 ? -2.069 -3.671 8.548 1.00 97.85 ? 23 MET A CB 23 MET A CB 1 ATOM 173 C CG . MET A 1 23 ? -1.746 -2.982 7.232 1.00 97.85 ? 23 MET A CG 23 MET A CG 1 ATOM 174 S SD . MET A 1 23 ? -2.966 -1.680 6.802 1.00 97.85 ? 23 MET A SD 23 MET A SD 1 ATOM 175 C CE . MET A 1 23 ? -2.064 -0.204 7.349 1.00 97.85 ? 23 MET A CE 23 MET A CE 1 ATOM 176 N N . GLU A 1 24 ? -1.814 -4.131 11.631 1.00 97.55 ? 24 GLU A N 24 GLU A N 1 ATOM 177 C CA . GLU A 1 24 ? -2.199 -4.840 12.848 1.00 97.55 ? 24 GLU A CA 24 GLU A CA 1 ATOM 178 C C . GLU A 1 24 ? -2.702 -3.871 13.915 1.00 97.55 ? 24 GLU A C 24 GLU A C 1 ATOM 179 O O . GLU A 1 24 ? -3.694 -4.148 14.593 1.00 97.55 ? 24 GLU A O 24 GLU A O 1 ATOM 180 C CB . GLU A 1 24 ? -1.022 -5.655 13.391 1.00 97.55 ? 24 GLU A CB 24 GLU A CB 1 ATOM 181 C CG . GLU A 1 24 ? -0.666 -6.864 12.539 1.00 97.55 ? 24 GLU A CG 24 GLU A CG 1 ATOM 182 C CD . GLU A 1 24 ? 0.602 -7.567 12.995 1.00 97.55 ? 24 GLU A CD 24 GLU A CD 1 ATOM 183 O OE1 . GLU A 1 24 ? 0.790 -8.759 12.660 1.00 97.55 ? 24 GLU A OE1 24 GLU A OE1 1 ATOM 184 O OE2 . GLU A 1 24 ? 1.415 -6.922 13.694 1.00 97.55 ? 24 GLU A OE2 24 GLU A OE2 1 ATOM 185 N N . LYS A 1 25 ? -2.023 -2.793 14.062 1.00 96.68 ? 25 LYS A N 25 LYS A N 1 ATOM 186 C CA . LYS A 1 25 ? -2.443 -1.779 15.025 1.00 96.68 ? 25 LYS A CA 25 LYS A CA 1 ATOM 187 C C . LYS A 1 25 ? -3.844 -1.265 14.706 1.00 96.68 ? 25 LYS A C 25 LYS A C 1 ATOM 188 O O . LYS A 1 25 ? -4.601 -0.908 15.612 1.00 96.68 ? 25 LYS A O 25 LYS A O 1 ATOM 189 C CB . LYS A 1 25 ? -1.451 -0.615 15.046 1.00 96.68 ? 25 LYS A CB 25 LYS A CB 1 ATOM 190 C CG . LYS A 1 25 ? -1.768 0.449 16.086 1.00 96.68 ? 25 LYS A CG 25 LYS A CG 1 ATOM 191 C CD . LYS A 1 25 ? -0.712 1.548 16.101 1.00 96.68 ? 25 LYS A CD 25 LYS A CD 1 ATOM 192 C CE . LYS A 1 25 ? -1.077 2.661 17.074 1.00 96.68 ? 25 LYS A CE 25 LYS A CE 1 ATOM 193 N NZ . LYS A 1 25 ? -0.029 3.724 17.117 1.00 96.68 ? 25 LYS A NZ 25 LYS A NZ 1 ATOM 194 N N . ASP A 1 26 ? -4.112 -1.278 13.461 1.00 96.60 ? 26 ASP A N 26 ASP A N 1 ATOM 195 C CA . ASP A 1 26 ? -5.416 -0.787 13.024 1.00 96.60 ? 26 ASP A CA 26 ASP A CA 1 ATOM 196 C C . ASP A 1 26 ? -6.490 -1.860 13.188 1.00 96.60 ? 26 ASP A C 26 ASP A C 1 ATOM 197 O O . ASP A 1 26 ? -7.676 -1.593 12.987 1.00 96.60 ? 26 ASP A O 26 ASP A O 1 ATOM 198 C CB . ASP A 1 26 ? -5.353 -0.323 11.568 1.00 96.60 ? 26 ASP A CB 26 ASP A CB 1 ATOM 199 C CG . ASP A 1 26 ? -6.592 0.441 11.135 1.00 96.60 ? 26 ASP A CG 26 ASP A CG 1 ATOM 200 O OD1 . ASP A 1 26 ? -6.768 1.606 11.553 1.00 96.60 ? 26 ASP A OD1 26 ASP A OD1 1 ATOM 201 O OD2 . ASP A 1 26 ? -7.402 -0.128 10.371 1.00 96.60 ? 26 ASP A OD2 26 ASP A OD2 1 ATOM 202 N N . GLY A 1 27 ? -6.109 -3.153 13.489 1.00 96.09 ? 27 GLY A N 27 GLY A N 1 ATOM 203 C CA . GLY A 1 27 ? -7.101 -4.172 13.792 1.00 96.09 ? 27 GLY A CA 27 GLY A CA 1 ATOM 204 C C . GLY A 1 27 ? -7.122 -5.304 12.782 1.00 96.09 ? 27 GLY A C 27 GLY A C 1 ATOM 205 O O . GLY A 1 27 ? -7.931 -6.227 12.894 1.00 96.09 ? 27 GLY A O 27 GLY A O 1 ATOM 206 N N . PHE A 1 28 ? -6.252 -5.205 11.772 1.00 96.98 ? 28 PHE A N 28 PHE A N 1 ATOM 207 C CA . PHE A 1 28 ? -6.154 -6.288 10.801 1.00 96.98 ? 28 PHE A CA 28 PHE A CA 1 ATOM 208 C C . PHE A 1 28 ? -5.312 -7.433 11.351 1.00 96.98 ? 28 PHE A C 28 PHE A C 1 ATOM 209 O O . PHE A 1 28 ? -4.400 -7.212 12.151 1.00 96.98 ? 28 PHE A O 28 PHE A O 1 ATOM 210 C CB . PHE A 1 28 ? -5.554 -5.780 9.486 1.00 96.98 ? 28 PHE A CB 28 PHE A CB 1 ATOM 211 C CG . PHE A 1 28 ? -6.484 -4.899 8.696 1.00 96.98 ? 28 PHE A CG 28 PHE A CG 1 ATOM 212 C CD1 . PHE A 1 28 ? -7.534 -5.447 7.969 1.00 96.98 ? 28 PHE A CD1 28 PHE A CD1 1 ATOM 213 C CD2 . PHE A 1 28 ? -6.307 -3.521 8.680 1.00 96.98 ? 28 PHE A CD2 28 PHE A CD2 1 ATOM 214 C CE1 . PHE A 1 28 ? -8.395 -4.633 7.237 1.00 96.98 ? 28 PHE A CE1 28 PHE A CE1 1 ATOM 215 C CE2 . PHE A 1 28 ? -7.164 -2.702 7.950 1.00 96.98 ? 28 PHE A CE2 28 PHE A CE2 1 ATOM 216 C CZ . PHE A 1 28 ? -8.207 -3.260 7.229 1.00 96.98 ? 28 PHE A CZ 28 PHE A CZ 1 ATOM 217 N N . GLU A 1 29 ? -5.740 -8.632 11.088 1.00 97.48 ? 29 GLU A N 29 GLU A N 1 ATOM 218 C CA . GLU A 1 29 ? -4.850 -9.782 11.224 1.00 97.48 ? 29 GLU A CA 29 GLU A CA 1 ATOM 219 C C . GLU A 1 29 ? -3.964 -9.942 9.992 1.00 97.48 ? 29 GLU A C 29 GLU A C 1 ATOM 220 O O . GLU A 1 29 ? -4.450 -10.278 8.910 1.00 97.48 ? 29 GLU A O 29 GLU A O 1 ATOM 221 C CB . GLU A 1 29 ? -5.656 -11.061 11.462 1.00 97.48 ? 29 GLU A CB 29 GLU A CB 1 ATOM 222 C CG . GLU A 1 29 ? -4.797 -12.290 11.720 1.00 97.48 ? 29 GLU A CG 29 GLU A CG 1 ATOM 223 C CD . GLU A 1 29 ? -5.611 -13.555 11.942 1.00 97.48 ? 29 GLU A CD 29 GLU A CD 1 ATOM 224 O OE1 . GLU A 1 29 ? -5.052 -14.667 11.810 1.00 97.48 ? 29 GLU A OE1 29 GLU A OE1 1 ATOM 225 O OE2 . GLU A 1 29 ? -6.818 -13.433 12.250 1.00 97.48 ? 29 GLU A OE2 29 GLU A OE2 1 ATOM 226 N N . VAL A 1 30 ? -2.605 -9.727 10.158 1.00 98.03 ? 30 VAL A N 30 VAL A N 1 ATOM 227 C CA . VAL A 1 30 ? -1.694 -9.742 9.019 1.00 98.03 ? 30 VAL A CA 30 VAL A CA 1 ATOM 228 C C . VAL A 1 30 ? -0.926 -11.062 8.989 1.00 98.03 ? 30 VAL A C 30 VAL A C 1 ATOM 229 O O . VAL A 1 30 ? -0.278 -11.433 9.971 1.00 98.03 ? 30 VAL A O 30 VAL A O 1 ATOM 230 C CB . VAL A 1 30 ? -0.709 -8.553 9.064 1.00 98.03 ? 30 VAL A CB 30 VAL A CB 1 ATOM 231 C CG1 . VAL A 1 30 ? 0.256 -8.606 7.881 1.00 98.03 ? 30 VAL A CG1 30 VAL A CG1 1 ATOM 232 C CG2 . VAL A 1 30 ? -1.471 -7.229 9.077 1.00 98.03 ? 30 VAL A CG2 30 VAL A CG2 1 ATOM 233 N N . ARG A 1 31 ? -1.065 -11.785 7.891 1.00 97.57 ? 31 ARG A N 31 ARG A N 1 ATOM 234 C CA . ARG A 1 31 ? -0.261 -12.975 7.630 1.00 97.57 ? 31 ARG A CA 31 ARG A CA 1 ATOM 235 C C . ARG A 1 31 ? 0.824 -12.688 6.598 1.00 97.57 ? 31 ARG A C 31 ARG A C 1 ATOM 236 O O . ARG A 1 31 ? 0.524 -12.404 5.437 1.00 97.57 ? 31 ARG A O 31 ARG A O 1 ATOM 237 C CB . ARG A 1 31 ? -1.147 -14.128 7.152 1.00 97.57 ? 31 ARG A CB 31 ARG A CB 1 ATOM 238 C CG . ARG A 1 31 ? -2.235 -14.519 8.139 1.00 97.57 ? 31 ARG A CG 31 ARG A CG 1 ATOM 239 C CD . ARG A 1 31 ? -3.168 -15.574 7.562 1.00 97.57 ? 31 ARG A CD 31 ARG A CD 1 ATOM 240 N NE . ARG A 1 31 ? -4.234 -15.921 8.497 1.00 97.57 ? 31 ARG A NE 31 ARG A NE 1 ATOM 241 C CZ . ARG A 1 31 ? -5.188 -16.818 8.261 1.00 97.57 ? 31 ARG A CZ 31 ARG A CZ 1 ATOM 242 N NH1 . ARG A 1 31 ? -5.228 -17.478 7.109 1.00 97.57 ? 31 ARG A NH1 31 ARG A NH1 1 ATOM 243 N NH2 . ARG A 1 31 ? -6.110 -17.056 9.182 1.00 97.57 ? 31 ARG A NH2 31 ARG A NH2 1 ATOM 244 N N . THR A 1 32 ? 2.070 -12.843 7.045 1.00 97.14 ? 32 THR A N 32 THR A N 1 ATOM 245 C CA . THR A 1 32 ? 3.198 -12.479 6.195 1.00 97.14 ? 32 THR A CA 32 THR A CA 1 ATOM 246 C C . THR A 1 32 ? 3.732 -13.700 5.452 1.00 97.14 ? 32 THR A C 32 THR A C 1 ATOM 247 O O . THR A 1 32 ? 3.954 -14.752 6.055 1.00 97.14 ? 32 THR A O 32 THR A O 1 ATOM 248 C CB . THR A 1 32 ? 4.332 -11.838 7.016 1.00 97.14 ? 32 THR A CB 32 THR A CB 1 ATOM 249 O OG1 . THR A 1 32 ? 3.835 -10.665 7.672 1.00 97.14 ? 32 THR A OG1 32 THR A OG1 1 ATOM 250 C CG2 . THR A 1 32 ? 5.505 -11.448 6.123 1.00 97.14 ? 32 THR A CG2 32 THR A CG2 1 ATOM 251 N N . HIS A 1 33 ? 3.887 -13.528 4.129 1.00 97.11 ? 33 HIS A N 33 HIS A N 1 ATOM 252 C CA . HIS A 1 33 ? 4.480 -14.538 3.260 1.00 97.11 ? 33 HIS A CA 33 HIS A CA 1 ATOM 253 C C . HIS A 1 33 ? 5.727 -14.002 2.564 1.00 97.11 ? 33 HIS A C 33 HIS A C 1 ATOM 254 O O . HIS A 1 33 ? 5.645 -13.059 1.774 1.00 97.11 ? 33 HIS A O 33 HIS A O 1 ATOM 255 C CB . HIS A 1 33 ? 3.464 -15.015 2.221 1.00 97.11 ? 33 HIS A CB 33 HIS A CB 1 ATOM 256 C CG . HIS A 1 33 ? 2.152 -15.427 2.810 1.00 97.11 ? 33 HIS A CG 33 HIS A CG 1 ATOM 257 N ND1 . HIS A 1 33 ? 1.891 -16.718 3.215 1.00 97.11 ? 33 HIS A ND1 33 HIS A ND1 1 ATOM 258 C CD2 . HIS A 1 33 ? 1.029 -14.715 3.066 1.00 97.11 ? 33 HIS A CD2 33 HIS A CD2 1 ATOM 259 C CE1 . HIS A 1 33 ? 0.660 -16.783 3.693 1.00 97.11 ? 33 HIS A CE1 33 HIS A CE1 1 ATOM 260 N NE2 . HIS A 1 33 ? 0.115 -15.581 3.614 1.00 97.11 ? 33 HIS A NE2 33 HIS A NE2 1 ATOM 261 N N . VAL A 1 34 ? 6.857 -14.603 2.906 1.00 95.70 ? 34 VAL A N 34 VAL A N 1 ATOM 262 C CA . VAL A 1 34 ? 8.109 -14.183 2.286 1.00 95.70 ? 34 VAL A CA 34 VAL A CA 1 ATOM 263 C C . VAL A 1 34 ? 8.345 -14.981 1.006 1.00 95.70 ? 34 VAL A C 34 VAL A C 1 ATOM 264 O O . VAL A 1 34 ? 8.294 -16.213 1.016 1.00 95.70 ? 34 VAL A O 34 VAL A O 1 ATOM 265 C CB . VAL A 1 34 ? 9.305 -14.356 3.249 1.00 95.70 ? 34 VAL A CB 34 VAL A CB 1 ATOM 266 C CG1 . VAL A 1 34 ? 10.603 -13.900 2.585 1.00 95.70 ? 34 VAL A CG1 34 VAL A CG1 1 ATOM 267 C CG2 . VAL A 1 34 ? 9.063 -13.581 4.544 1.00 95.70 ? 34 VAL A CG2 34 VAL A CG2 1 ATOM 268 N N . MET A 1 35 ? 8.588 -14.215 -0.107 1.00 94.36 ? 35 MET A N 35 MET A N 1 ATOM 269 C CA . MET A 1 35 ? 8.773 -14.821 -1.422 1.00 94.36 ? 35 MET A CA 35 MET A CA 1 ATOM 270 C C . MET A 1 35 ? 10.050 -14.310 -2.081 1.00 94.36 ? 35 MET A C 35 MET A C 1 ATOM 271 O O . MET A 1 35 ? 10.523 -13.217 -1.764 1.00 94.36 ? 35 MET A O 35 MET A O 1 ATOM 272 C CB . MET A 1 35 ? 7.569 -14.535 -2.321 1.00 94.36 ? 35 MET A CB 35 MET A CB 1 ATOM 273 C CG . MET A 1 35 ? 6.250 -15.034 -1.756 1.00 94.36 ? 35 MET A CG 35 MET A CG 1 ATOM 274 S SD . MET A 1 35 ? 4.841 -14.742 -2.895 1.00 94.36 ? 35 MET A SD 35 MET A SD 1 ATOM 275 C CE . MET A 1 35 ? 4.233 -16.440 -3.094 1.00 94.36 ? 35 MET A CE 35 MET A CE 1 ATOM 276 N N . ASN A 1 36 ? 10.570 -15.164 -2.961 1.00 94.58 ? 36 ASN A N 36 ASN A N 1 ATOM 277 C CA . ASN A 1 36 ? 11.652 -14.638 -3.786 1.00 94.58 ? 36 ASN A CA 36 ASN A CA 1 ATOM 278 C C . ASN A 1 36 ? 11.129 -13.686 -4.857 1.00 94.58 ? 36 ASN A C 36 ASN A C 1 ATOM 279 O O . ASN A 1 36 ? 9.920 -13.595 -5.076 1.00 94.58 ? 36 ASN A O 36 ASN A O 1 ATOM 280 C CB . ASN A 1 36 ? 12.440 -15.781 -4.431 1.00 94.58 ? 36 ASN A CB 36 ASN A CB 1 ATOM 281 C CG . ASN A 1 36 ? 11.610 -16.578 -5.418 1.00 94.58 ? 36 ASN A CG 36 ASN A CG 1 ATOM 282 O OD1 . ASN A 1 36 ? 10.944 -16.012 -6.288 1.00 94.58 ? 36 ASN A OD1 36 ASN A OD1 1 ATOM 283 N ND2 . ASN A 1 36 ? 11.646 -17.899 -5.290 1.00 94.58 ? 36 ASN A ND2 36 ASN A ND2 1 ATOM 284 N N . ASP A 1 37 ? 11.988 -12.915 -5.505 1.00 92.37 ? 37 ASP A N 37 ASP A N 1 ATOM 285 C CA . ASP A 1 37 ? 11.627 -11.836 -6.419 1.00 92.37 ? 37 ASP A CA 37 ASP A CA 1 ATOM 286 C C . ASP A 1 37 ? 10.821 -12.365 -7.603 1.00 92.37 ? 37 ASP A C 37 ASP A C 1 ATOM 287 O O . ASP A 1 37 ? 9.866 -11.724 -8.046 1.00 92.37 ? 37 ASP A O 37 ASP A O 1 ATOM 288 C CB . ASP A 1 37 ? 12.880 -11.113 -6.917 1.00 92.37 ? 37 ASP A CB 37 ASP A CB 1 ATOM 289 C CG . ASP A 1 37 ? 13.499 -10.207 -5.867 1.00 92.37 ? 37 ASP A CG 37 ASP A CG 1 ATOM 290 O OD1 . ASP A 1 37 ? 12.864 -9.967 -4.817 1.00 92.37 ? 37 ASP A OD1 37 ASP A OD1 1 ATOM 291 O OD2 . ASP A 1 37 ? 14.630 -9.726 -6.093 1.00 92.37 ? 37 ASP A OD2 37 ASP A OD2 1 ATOM 292 N N . GLN A 1 38 ? 11.235 -13.569 -8.079 1.00 94.92 ? 38 GLN A N 38 GLN A N 1 ATOM 293 C CA . GLN A 1 38 ? 10.543 -14.167 -9.216 1.00 94.92 ? 38 GLN A CA 38 GLN A CA 1 ATOM 294 C C . GLN A 1 38 ? 9.097 -14.503 -8.865 1.00 94.92 ? 38 GLN A C 38 GLN A C 1 ATOM 295 O O . GLN A 1 38 ? 8.181 -14.217 -9.640 1.00 94.92 ? 38 GLN A O 38 GLN A O 1 ATOM 296 C CB . GLN A 1 38 ? 11.274 -15.425 -9.689 1.00 94.92 ? 38 GLN A CB 38 GLN A CB 1 ATOM 297 C CG . GLN A 1 38 ? 12.596 -15.140 -10.390 1.00 94.92 ? 38 GLN A CG 38 GLN A CG 1 ATOM 298 C CD . GLN A 1 38 ? 13.410 -16.396 -10.639 1.00 94.92 ? 38 GLN A CD 38 GLN A CD 1 ATOM 299 O OE1 . GLN A 1 38 ? 13.221 -17.417 -9.971 1.00 94.92 ? 38 GLN A OE1 38 GLN A OE1 1 ATOM 300 N NE2 . GLN A 1 38 ? 14.322 -16.330 -11.603 1.00 94.92 ? 38 GLN A NE2 38 GLN A NE2 1 ATOM 301 N N . ALA A 1 39 ? 8.872 -15.064 -7.737 1.00 95.81 ? 39 ALA A N 39 ALA A N 1 ATOM 302 C CA . ALA A 1 39 ? 7.537 -15.437 -7.278 1.00 95.81 ? 39 ALA A CA 39 ALA A CA 1 ATOM 303 C C . ALA A 1 39 ? 6.684 -14.201 -7.008 1.00 95.81 ? 39 ALA A C 39 ALA A C 1 ATOM 304 O O . ALA A 1 39 ? 5.491 -14.182 -7.322 1.00 95.81 ? 39 ALA A O 39 ALA A O 1 ATOM 305 C CB . ALA A 1 39 ? 7.628 -16.302 -6.023 1.00 95.81 ? 39 ALA A CB 39 ALA A CB 1 ATOM 306 N N . LEU A 1 40 ? 7.307 -13.210 -6.401 1.00 95.70 ? 40 LEU A N 40 LEU A N 1 ATOM 307 C CA . LEU A 1 40 ? 6.592 -11.966 -6.136 1.00 95.70 ? 40 LEU A CA 40 LEU A CA 1 ATOM 308 C C . LEU A 1 40 ? 6.180 -11.288 -7.438 1.00 95.70 ? 40 LEU A C 40 LEU A C 1 ATOM 309 O O . LEU A 1 40 ? 5.053 -10.801 -7.560 1.00 95.70 ? 40 LEU A O 40 LEU A O 1 ATOM 310 C CB . LEU A 1 40 ? 7.457 -11.017 -5.303 1.00 95.70 ? 40 LEU A CB 40 LEU A CB 1 ATOM 311 C CG . LEU A 1 40 ? 6.744 -9.809 -4.693 1.00 95.70 ? 40 LEU A CG 40 LEU A CG 1 ATOM 312 C CD1 . LEU A 1 40 ? 5.576 -10.265 -3.826 1.00 95.70 ? 40 LEU A CD1 40 LEU A CD1 1 ATOM 313 C CD2 . LEU A 1 40 ? 7.721 -8.964 -3.882 1.00 95.70 ? 40 LEU A CD2 40 LEU A CD2 1 ATOM 314 N N . SER A 1 41 ? 7.096 -11.298 -8.401 1.00 95.87 ? 41 SER A N 41 SER A N 1 ATOM 315 C CA . SER A 1 41 ? 6.790 -10.720 -9.706 1.00 95.87 ? 41 SER A CA 41 SER A CA 1 ATOM 316 C C . SER A 1 41 ? 5.644 -11.463 -10.384 1.00 95.87 ? 41 SER A C 41 SER A C 1 ATOM 317 O O . SER A 1 41 ? 4.752 -10.841 -10.966 1.00 95.87 ? 41 SER A O 41 SER A O 1 ATOM 318 C CB . SER A 1 41 ? 8.026 -10.741 -10.605 1.00 95.87 ? 41 SER A CB 41 SER A CB 1 ATOM 319 O OG . SER A 1 41 ? 7.765 -10.086 -11.834 1.00 95.87 ? 41 SER A OG 41 SER A OG 1 ATOM 320 N N . ALA A 1 42 ? 5.655 -12.772 -10.328 1.00 97.07 ? 42 ALA A N 42 ALA A N 1 ATOM 321 C CA . ALA A 1 42 ? 4.595 -13.597 -10.901 1.00 97.07 ? 42 ALA A CA 42 ALA A CA 1 ATOM 322 C C . ALA A 1 42 ? 3.254 -13.311 -10.232 1.00 97.07 ? 42 ALA A C 42 ALA A C 1 ATOM 323 O O . ALA A 1 42 ? 2.219 -13.260 -10.900 1.00 97.07 ? 42 ALA A O 42 ALA A O 1 ATOM 324 C CB . ALA A 1 42 ? 4.945 -15.078 -10.773 1.00 97.07 ? 42 ALA A CB 42 ALA A CB 1 ATOM 325 N N . LEU A 1 43 ? 3.297 -13.147 -8.901 1.00 97.14 ? 43 LEU A N 43 LEU A N 1 ATOM 326 C CA . LEU A 1 43 ? 2.090 -12.816 -8.151 1.00 97.14 ? 43 LEU A CA 43 LEU A CA 1 ATOM 327 C C . LEU A 1 43 ? 1.514 -11.481 -8.611 1.00 97.14 ? 43 LEU A C 43 LEU A C 1 ATOM 328 O O . LEU A 1 43 ? 0.303 -11.360 -8.812 1.00 97.14 ? 43 LEU A O 43 LEU A O 1 ATOM 329 C CB . LEU A 1 43 ? 2.388 -12.767 -6.650 1.00 97.14 ? 43 LEU A CB 43 LEU A CB 1 ATOM 330 C CG . LEU A 1 43 ? 1.203 -12.463 -5.733 1.00 97.14 ? 43 LEU A CG 43 LEU A CG 1 ATOM 331 C CD1 . LEU A 1 43 ? 0.263 -13.663 -5.666 1.00 97.14 ? 43 LEU A CD1 43 LEU A CD1 1 ATOM 332 C CD2 . LEU A 1 43 ? 1.689 -12.079 -4.340 1.00 97.14 ? 43 LEU A CD2 43 LEU A CD2 1 ATOM 333 N N . LYS A 1 44 ? 2.364 -10.470 -8.776 1.00 97.36 ? 44 LYS A N 44 LYS A N 1 ATOM 334 C CA . LYS A 1 44 ? 1.934 -9.147 -9.218 1.00 97.36 ? 44 LYS A CA 44 LYS A CA 1 ATOM 335 C C . LYS A 1 44 ? 1.324 -9.206 -10.616 1.00 97.36 ? 44 LYS A C 44 LYS A C 1 ATOM 336 O O . LYS A 1 44 ? 0.306 -8.564 -10.882 1.00 97.36 ? 44 LYS A O 44 LYS A O 1 ATOM 337 C CB . LYS A 1 44 ? 3.108 -8.167 -9.200 1.00 97.36 ? 44 LYS A CB 44 LYS A CB 1 ATOM 338 C CG . LYS A 1 44 ? 3.677 -7.909 -7.813 1.00 97.36 ? 44 LYS A CG 44 LYS A CG 1 ATOM 339 C CD . LYS A 1 44 ? 4.847 -6.934 -7.862 1.00 97.36 ? 44 LYS A CD 44 LYS A CD 1 ATOM 340 C CE . LYS A 1 44 ? 5.409 -6.664 -6.472 1.00 97.36 ? 44 LYS A CE 44 LYS A CE 1 ATOM 341 N NZ . LYS A 1 44 ? 5.420 -5.204 -6.154 1.00 97.36 ? 44 LYS A NZ 44 LYS A NZ 1 ATOM 342 N N . GLU A 1 45 ? 1.872 -10.040 -11.457 1.00 97.05 ? 45 GLU A N 45 GLU A N 1 ATOM 343 C CA . GLU A 1 45 ? 1.321 -10.246 -12.793 1.00 97.05 ? 45 GLU A CA 45 GLU A CA 1 ATOM 344 C C . GLU A 1 45 ? -0.045 -10.923 -12.728 1.00 97.05 ? 45 GLU A C 45 GLU A C 1 ATOM 345 O O . GLU A 1 45 ? -0.973 -10.531 -13.439 1.00 97.05 ? 45 GLU A O 45 GLU A O 1 ATOM 346 C CB . GLU A 1 45 ? 2.280 -11.078 -13.648 1.00 97.05 ? 45 GLU A CB 45 GLU A CB 1 ATOM 347 C CG . GLU A 1 45 ? 3.536 -10.329 -14.068 1.00 97.05 ? 45 GLU A CG 45 GLU A CG 1 ATOM 348 C CD . GLU A 1 45 ? 4.527 -11.198 -14.827 1.00 97.05 ? 45 GLU A CD 45 GLU A CD 1 ATOM 349 O OE1 . GLU A 1 45 ? 5.635 -10.713 -15.152 1.00 97.05 ? 45 GLU A OE1 45 GLU A OE1 1 ATOM 350 O OE2 . GLU A 1 45 ? 4.193 -12.373 -15.098 1.00 97.05 ? 45 GLU A OE2 45 GLU A OE2 1 ATOM 351 N N . LYS A 1 46 ? -0.105 -11.863 -11.900 1.00 96.53 ? 46 LYS A N 46 LYS A N 1 ATOM 352 C CA . LYS A 1 46 ? -1.353 -12.600 -11.722 1.00 96.53 ? 46 LYS A CA 46 LYS A CA 1 ATOM 353 C C . LYS A 1 46 ? -2.485 -11.671 -11.295 1.00 96.53 ? 46 LYS A C 46 LYS A C 1 ATOM 354 O O . LYS A 1 46 ? -3.625 -11.828 -11.738 1.00 96.53 ? 46 LYS A O 46 LYS A O 1 ATOM 355 C CB . LYS A 1 46 ? -1.174 -13.716 -10.691 1.00 96.53 ? 46 LYS A CB 46 LYS A CB 1 ATOM 356 C CG . LYS A 1 46 ? -2.437 -14.523 -10.427 1.00 96.53 ? 46 LYS A CG 46 LYS A CG 1 ATOM 357 C CD . LYS A 1 46 ? -2.194 -15.620 -9.398 1.00 96.53 ? 46 LYS A CD 46 LYS A CD 1 ATOM 358 C CE . LYS A 1 46 ? -3.480 -16.362 -9.057 1.00 96.53 ? 46 LYS A CE 46 LYS A CE 1 ATOM 359 N NZ . LYS A 1 46 ? -3.251 -17.423 -8.031 1.00 96.53 ? 46 LYS A NZ 46 LYS A NZ 1 ATOM 360 N N . HIS A 1 47 ? -2.195 -10.672 -10.547 1.00 97.24 ? 47 HIS A N 47 HIS A N 1 ATOM 361 C CA . HIS A 1 47 ? -3.208 -9.767 -10.015 1.00 97.24 ? 47 HIS A CA 47 HIS A CA 1 ATOM 362 C C . HIS A 1 47 ? -3.300 -8.493 -10.848 1.00 97.24 ? 47 HIS A C 47 HIS A C 1 ATOM 363 O O . HIS A 1 47 ? -3.920 -7.514 -10.426 1.00 97.24 ? 47 HIS A O 47 HIS A O 1 ATOM 364 C CB . HIS A 1 47 ? -2.903 -9.420 -8.557 1.00 97.24 ? 47 HIS A CB 47 HIS A CB 1 ATOM 365 C CG . HIS A 1 47 ? -3.150 -10.549 -7.607 1.00 97.24 ? 47 HIS A CG 47 HIS A CG 1 ATOM 366 N ND1 . HIS A 1 47 ? -4.377 -11.165 -7.487 1.00 97.24 ? 47 HIS A ND1 47 HIS A ND1 1 ATOM 367 C CD2 . HIS A 1 47 ? -2.324 -11.175 -6.736 1.00 97.24 ? 47 HIS A CD2 47 HIS A CD2 1 ATOM 368 C CE1 . HIS A 1 47 ? -4.295 -12.123 -6.578 1.00 97.24 ? 47 HIS A CE1 47 HIS A CE1 1 ATOM 369 N NE2 . HIS A 1 47 ? -3.060 -12.150 -6.108 1.00 97.24 ? 47 HIS A NE2 47 HIS A NE2 1 ATOM 370 N N . ALA A 1 48 ? -2.631 -8.474 -11.973 1.00 96.92 ? 48 ALA A N 48 ALA A N 1 ATOM 371 C CA . ALA A 1 48 ? -2.700 -7.385 -12.944 1.00 96.92 ? 48 ALA A CA 48 ALA A CA 1 ATOM 372 C C . ALA A 1 48 ? -2.304 -6.056 -12.306 1.00 96.92 ? 48 ALA A C 48 ALA A C 1 ATOM 373 O O . ALA A 1 48 ? -2.931 -5.025 -12.565 1.00 96.92 ? 48 ALA A O 48 ALA A O 1 ATOM 374 C CB . ALA A 1 48 ? -4.104 -7.290 -13.537 1.00 96.92 ? 48 ALA A CB 48 ALA A CB 1 ATOM 375 N N . ILE A 1 49 ? -1.358 -6.124 -11.414 1.00 97.42 ? 49 ILE A N 49 ILE A N 1 ATOM 376 C CA . ILE A 1 49 ? -0.829 -4.886 -10.853 1.00 97.42 ? 49 ILE A CA 49 ILE A CA 1 ATOM 377 C C . ILE A 1 49 ? 0.003 -4.156 -11.906 1.00 97.42 ? 49 ILE A C 49 ILE A C 1 ATOM 378 O O . ILE A 1 49 ? 0.991 -4.696 -12.409 1.00 97.42 ? 49 ILE A O 49 ILE A O 1 ATOM 379 C CB . ILE A 1 49 ? 0.020 -5.154 -9.590 1.00 97.42 ? 49 ILE A CB 49 ILE A CB 1 ATOM 380 C CG1 . ILE A 1 49 ? -0.802 -5.919 -8.547 1.00 97.42 ? 49 ILE A CG1 49 ILE A CG1 1 ATOM 381 C CG2 . ILE A 1 49 ? 0.555 -3.841 -9.011 1.00 97.42 ? 49 ILE A CG2 49 ILE A CG2 1 ATOM 382 C CD1 . ILE A 1 49 ? -0.003 -6.352 -7.325 1.00 97.42 ? 49 ILE A CD1 49 ILE A CD1 1 ATOM 383 N N . PRO A 1 50 ? -0.342 -2.928 -12.285 1.00 96.46 ? 50 PRO A N 50 PRO A N 1 ATOM 384 C CA . PRO A 1 50 ? 0.409 -2.174 -13.292 1.00 96.46 ? 50 PRO A CA 50 PRO A CA 1 ATOM 385 C C . PRO A 1 50 ? 1.875 -1.981 -12.913 1.00 96.46 ? 50 PRO A C 50 PRO A C 1 ATOM 386 O O . PRO A 1 50 ? 2.188 -1.736 -11.745 1.00 96.46 ? 50 PRO A O 50 PRO A O 1 ATOM 387 C CB . PRO A 1 50 ? -0.323 -0.830 -13.344 1.00 96.46 ? 50 PRO A CB 50 PRO A CB 1 ATOM 388 C CG . PRO A 1 50 ? -1.711 -1.133 -12.879 1.00 96.46 ? 50 PRO A CG 50 PRO A CG 1 ATOM 389 C CD . PRO A 1 50 ? -1.638 -2.194 -11.819 1.00 96.46 ? 50 PRO A CD 50 PRO A CD 1 ATOM 390 N N . ALA A 1 51 ? 2.726 -2.066 -13.892 1.00 93.91 ? 51 ALA A N 51 ALA A N 1 ATOM 391 C CA . ALA A 1 51 ? 4.173 -2.034 -13.691 1.00 93.91 ? 51 ALA A CA 51 ALA A CA 1 ATOM 392 C C . ALA A 1 51 ? 4.596 -0.766 -12.954 1.00 93.91 ? 51 ALA A C 51 ALA A C 1 ATOM 393 O O . ALA A 1 51 ? 5.450 -0.813 -12.065 1.00 93.91 ? 51 ALA A O 51 ALA A O 1 ATOM 394 C CB . ALA A 1 51 ? 4.898 -2.133 -15.031 1.00 93.91 ? 51 ALA A CB 51 ALA A CB 1 ATOM 395 N N . GLY A 1 52 ? 3.976 0.346 -13.212 1.00 94.48 ? 52 GLY A N 52 GLY A N 1 ATOM 396 C CA . GLY A 1 52 ? 4.343 1.622 -12.617 1.00 94.48 ? 52 GLY A CA 52 GLY A CA 1 ATOM 397 C C . GLY A 1 52 ? 3.882 1.765 -11.179 1.00 94.48 ? 52 GLY A C 52 GLY A C 1 ATOM 398 O O . GLY A 1 52 ? 4.291 2.694 -10.480 1.00 94.48 ? 52 GLY A O 52 GLY A O 1 ATOM 399 N N . LEU A 1 53 ? 3.071 0.793 -10.696 1.00 96.62 ? 53 LEU A N 53 LEU A N 1 ATOM 400 C CA . LEU A 1 53 ? 2.523 0.894 -9.348 1.00 96.62 ? 53 LEU A CA 53 LEU A CA 1 ATOM 401 C C . LEU A 1 53 ? 3.138 -0.157 -8.430 1.00 96.62 ? 53 LEU A C 53 LEU A C 1 ATOM 402 O O . LEU A 1 53 ? 2.812 -0.219 -7.243 1.00 96.62 ? 53 LEU A O 53 LEU A O 1 ATOM 403 C CB . LEU A 1 53 ? 1.000 0.736 -9.375 1.00 96.62 ? 53 LEU A CB 53 LEU A CB 1 ATOM 404 C CG . LEU A 1 53 ? 0.220 1.813 -10.130 1.00 96.62 ? 53 LEU A CG 53 LEU A CG 1 ATOM 405 C CD1 . LEU A 1 53 ? -1.281 1.578 -9.989 1.00 96.62 ? 53 LEU A CD1 53 LEU A CD1 1 ATOM 406 C CD2 . LEU A 1 53 ? 0.598 3.201 -9.625 1.00 96.62 ? 53 LEU A CD2 53 LEU A CD2 1 ATOM 407 N N . ARG A 1 54 ? 4.022 -0.959 -8.927 1.00 95.09 ? 54 ARG A N 54 ARG A N 1 ATOM 408 C CA . ARG A 1 54 ? 4.554 -2.089 -8.173 1.00 95.09 ? 54 ARG A CA 54 ARG A CA 1 ATOM 409 C C . ARG A 1 54 ? 5.522 -1.619 -7.092 1.00 95.09 ? 54 ARG A C 54 ARG A C 1 ATOM 410 O O . ARG A 1 54 ? 6.228 -0.626 -7.273 1.00 95.09 ? 54 ARG A O 54 ARG A O 1 ATOM 411 C CB . ARG A 1 54 ? 5.254 -3.078 -9.108 1.00 95.09 ? 54 ARG A CB 54 ARG A CB 1 ATOM 412 C CG . ARG A 1 54 ? 4.312 -3.794 -10.063 1.00 95.09 ? 54 ARG A CG 54 ARG A CG 1 ATOM 413 C CD . ARG A 1 54 ? 5.060 -4.755 -10.977 1.00 95.09 ? 54 ARG A CD 54 ARG A CD 1 ATOM 414 N NE . ARG A 1 54 ? 4.163 -5.394 -11.937 1.00 95.09 ? 54 ARG A NE 54 ARG A NE 1 ATOM 415 C CZ . ARG A 1 54 ? 4.555 -6.199 -12.920 1.00 95.09 ? 54 ARG A CZ 54 ARG A CZ 1 ATOM 416 N NH1 . ARG A 1 54 ? 5.841 -6.481 -13.095 1.00 95.09 ? 54 ARG A NH1 54 ARG A NH1 1 ATOM 417 N NH2 . ARG A 1 54 ? 3.654 -6.726 -13.737 1.00 95.09 ? 54 ARG A NH2 54 ARG A NH2 1 ATOM 418 N N . SER A 1 55 ? 5.435 -2.375 -5.928 1.00 94.49 ? 55 SER A N 55 SER A N 1 ATOM 419 C CA . SER A 1 55 ? 6.273 -2.099 -4.766 1.00 94.49 ? 55 SER A CA 55 SER A CA 1 ATOM 420 C C . SER A 1 55 ? 6.913 -3.375 -4.230 1.00 94.49 ? 55 SER A C 55 SER A C 1 ATOM 421 O O . SER A 1 55 ? 6.868 -4.420 -4.883 1.00 94.49 ? 55 SER A O 55 SER A O 1 ATOM 422 C CB . SER A 1 55 ? 5.456 -1.426 -3.662 1.00 94.49 ? 55 SER A CB 55 SER A CB 1 ATOM 423 O OG . SER A 1 55 ? 4.593 -2.358 -3.036 1.00 94.49 ? 55 SER A OG 55 SER A OG 1 ATOM 424 N N . CYS A 1 56 ? 7.615 -3.271 -3.061 1.00 95.03 ? 56 CYS A N 56 CYS A N 1 ATOM 425 C CA . CYS A 1 56 ? 8.320 -4.398 -2.463 1.00 95.03 ? 56 CYS A CA 56 CYS A CA 1 ATOM 426 C C . CYS A 1 56 ? 7.341 -5.388 -1.844 1.00 95.03 ? 56 CYS A C 56 CYS A C 1 ATOM 427 O O . CYS A 1 56 ? 7.707 -6.526 -1.546 1.00 95.03 ? 56 CYS A O 56 CYS A O 1 ATOM 428 C CB . CYS A 1 56 ? 9.306 -3.912 -1.401 1.00 95.03 ? 56 CYS A CB 56 CYS A CB 1 ATOM 429 S SG . CYS A 1 56 ? 10.709 -2.996 -2.076 1.00 95.03 ? 56 CYS A SG 56 CYS A SG 1 ATOM 430 N N . HIS A 1 57 ? 6.079 -4.974 -1.660 1.00 97.11 ? 57 HIS A N 57 HIS A N 1 ATOM 431 C CA . HIS A 1 57 ? 5.100 -5.909 -1.117 1.00 97.11 ? 57 HIS A CA 57 HIS A CA 1 ATOM 432 C C . HIS A 1 57 ? 3.732 -5.711 -1.761 1.00 97.11 ? 57 HIS A C 57 HIS A C 1 ATOM 433 O O . HIS A 1 57 ? 3.446 -4.642 -2.305 1.00 97.11 ? 57 HIS A O 57 HIS A O 1 ATOM 434 C CB . HIS A 1 57 ? 4.994 -5.751 0.401 1.00 97.11 ? 57 HIS A CB 57 HIS A CB 1 ATOM 435 C CG . HIS A 1 57 ? 4.187 -4.565 0.826 1.00 97.11 ? 57 HIS A CG 57 HIS A CG 1 ATOM 436 N ND1 . HIS A 1 57 ? 4.720 -3.298 0.919 1.00 97.11 ? 57 HIS A ND1 57 HIS A ND1 1 ATOM 437 C CD2 . HIS A 1 57 ? 2.885 -4.456 1.180 1.00 97.11 ? 57 HIS A CD2 57 HIS A CD2 1 ATOM 438 C CE1 . HIS A 1 57 ? 3.778 -2.459 1.314 1.00 97.11 ? 57 HIS A CE1 57 HIS A CE1 1 ATOM 439 N NE2 . HIS A 1 57 ? 2.655 -3.136 1.479 1.00 97.11 ? 57 HIS A NE2 57 HIS A NE2 1 ATOM 440 N N . THR A 1 58 ? 2.919 -6.815 -1.727 1.00 97.98 ? 58 THR A N 58 THR A N 1 ATOM 441 C CA . THR A 1 58 ? 1.522 -6.899 -2.140 1.00 97.98 ? 58 THR A CA 58 THR A CA 1 ATOM 442 C C . THR A 1 58 ? 0.693 -7.638 -1.094 1.00 97.98 ? 58 THR A C 58 THR A C 1 ATOM 443 O O . THR A 1 58 ? 1.168 -8.596 -0.481 1.00 97.98 ? 58 THR A O 58 THR A O 1 ATOM 444 C CB . THR A 1 58 ? 1.384 -7.605 -3.501 1.00 97.98 ? 58 THR A CB 58 THR A CB 1 ATOM 445 O OG1 . THR A 1 58 ? 2.148 -6.893 -4.482 1.00 97.98 ? 58 THR A OG1 58 THR A OG1 1 ATOM 446 C CG2 . THR A 1 58 ? -0.074 -7.657 -3.948 1.00 97.98 ? 58 THR A CG2 58 THR A CG2 1 ATOM 447 N N . ALA A 1 59 ? -0.470 -7.088 -0.893 1.00 97.87 ? 59 ALA A N 59 ALA A N 1 ATOM 448 C CA . ALA A 1 59 ? -1.342 -7.731 0.087 1.00 97.87 ? 59 ALA A CA 59 ALA A CA 1 ATOM 449 C C . ALA A 1 59 ? -2.728 -7.989 -0.498 1.00 97.87 ? 59 ALA A C 59 ALA A C 1 ATOM 450 O O . ALA A 1 59 ? -3.144 -7.318 -1.445 1.00 97.87 ? 59 ALA A O 59 ALA A O 1 ATOM 451 C CB . ALA A 1 59 ? -1.451 -6.874 1.346 1.00 97.87 ? 59 ALA A CB 59 ALA A CB 1 ATOM 452 N N . VAL A 1 60 ? -3.339 -8.991 0.086 1.00 97.42 ? 60 VAL A N 60 VAL A N 1 ATOM 453 C CA . VAL A 1 60 ? -4.700 -9.341 -0.309 1.00 97.42 ? 60 VAL A CA 60 VAL A CA 1 ATOM 454 C C . VAL A 1 60 ? -5.604 -9.368 0.921 1.00 97.42 ? 60 VAL A C 60 VAL A C 1 ATOM 455 O O . VAL A 1 60 ? -5.329 -10.085 1.886 1.00 97.42 ? 60 VAL A O 60 VAL A O 1 ATOM 456 C CB . VAL A 1 60 ? -4.747 -10.704 -1.035 1.00 97.42 ? 60 VAL A CB 60 VAL A CB 1 ATOM 457 C CG1 . VAL A 1 60 ? -6.176 -11.043 -1.454 1.00 97.42 ? 60 VAL A CG1 60 VAL A CG1 1 ATOM 458 C CG2 . VAL A 1 60 ? -3.819 -10.693 -2.249 1.00 97.42 ? 60 VAL A CG2 60 VAL A CG2 1 ATOM 459 N N . ALA A 1 61 ? -6.617 -8.533 0.898 1.00 95.47 ? 61 ALA A N 61 ALA A N 1 ATOM 460 C CA . ALA A 1 61 ? -7.672 -8.522 1.908 1.00 95.47 ? 61 ALA A CA 61 ALA A CA 1 ATOM 461 C C . ALA A 1 61 ? -9.033 -8.817 1.283 1.00 95.47 ? 61 ALA A C 61 ALA A C 1 ATOM 462 O O . ALA A 1 61 ? -9.637 -7.943 0.656 1.00 95.47 ? 61 ALA A O 61 ALA A O 1 ATOM 463 C CB . ALA A 1 61 ? -7.702 -7.178 2.632 1.00 95.47 ? 61 ALA A CB 61 ALA A CB 1 ATOM 464 N N . GLY A 1 62 ? -9.517 -10.036 1.438 1.00 91.48 ? 62 GLY A N 62 GLY A N 1 ATOM 465 C CA . GLY A 1 62 ? -10.686 -10.432 0.668 1.00 91.48 ? 62 GLY A CA 62 GLY A CA 1 ATOM 466 C C . GLY A 1 62 ? -10.464 -10.367 -0.831 1.00 91.48 ? 62 GLY A C 62 GLY A C 1 ATOM 467 O O . GLY A 1 62 ? -9.565 -11.024 -1.360 1.00 91.48 ? 62 GLY A O 62 GLY A O 1 ATOM 468 N N . ASN A 1 63 ? -11.225 -9.527 -1.519 1.00 92.02 ? 63 ASN A N 63 ASN A N 1 ATOM 469 C CA . ASN A 1 63 ? -11.098 -9.377 -2.964 1.00 92.02 ? 63 ASN A CA 63 ASN A CA 1 ATOM 470 C C . ASN A 1 63 ? -10.270 -8.149 -3.330 1.00 92.02 ? 63 ASN A C 63 ASN A C 1 ATOM 471 O O . ASN A 1 63 ? -10.123 -7.822 -4.509 1.00 92.02 ? 63 ASN A O 63 ASN A O 1 ATOM 472 C CB . ASN A 1 63 ? -12.479 -9.301 -3.620 1.00 92.02 ? 63 ASN A CB 63 ASN A CB 1 ATOM 473 C CG . ASN A 1 63 ? -13.252 -10.600 -3.507 1.00 92.02 ? 63 ASN A CG 63 ASN A CG 1 ATOM 474 O OD1 . ASN A 1 63 ? -12.666 -11.673 -3.344 1.00 92.02 ? 63 ASN A OD1 63 ASN A OD1 1 ATOM 475 N ND2 . ASN A 1 63 ? -14.574 -10.512 -3.591 1.00 92.02 ? 63 ASN A ND2 63 ASN A ND2 1 ATOM 476 N N . LEU A 1 64 ? -9.821 -7.518 -2.305 1.00 96.81 ? 64 LEU A N 64 LEU A N 1 ATOM 477 C CA . LEU A 1 64 ? -9.099 -6.270 -2.529 1.00 96.81 ? 64 LEU A CA 64 LEU A CA 1 ATOM 478 C C . LEU A 1 64 ? -7.596 -6.518 -2.602 1.00 96.81 ? 64 LEU A C 64 LEU A C 1 ATOM 479 O O . LEU A 1 64 ? -7.018 -7.124 -1.697 1.00 96.81 ? 64 LEU A O 64 LEU A O 1 ATOM 480 C CB . LEU A 1 64 ? -9.409 -5.264 -1.418 1.00 96.81 ? 64 LEU A CB 64 LEU A CB 1 ATOM 481 C CG . LEU A 1 64 ? -8.732 -3.897 -1.533 1.00 96.81 ? 64 LEU A CG 64 LEU A CG 1 ATOM 482 C CD1 . LEU A 1 64 ? -9.281 -3.133 -2.732 1.00 96.81 ? 64 LEU A CD1 64 LEU A CD1 1 ATOM 483 C CD2 . LEU A 1 64 ? -8.922 -3.097 -0.249 1.00 96.81 ? 64 LEU A CD2 64 LEU A CD2 1 ATOM 484 N N . ILE A 1 65 ? -6.993 -6.010 -3.695 1.00 98.08 ? 65 ILE A N 65 ILE A N 1 ATOM 485 C CA . ILE A 1 65 ? -5.543 -6.044 -3.858 1.00 98.08 ? 65 ILE A CA 65 ILE A CA 1 ATOM 486 C C . ILE A 1 65 ? -4.935 -4.743 -3.339 1.00 98.08 ? 65 ILE A C 65 ILE A C 1 ATOM 487 O O . ILE A 1 65 ? -5.431 -3.655 -3.641 1.00 98.08 ? 65 ILE A O 65 ILE A O 1 ATOM 488 C CB . ILE A 1 65 ? -5.145 -6.271 -5.334 1.00 98.08 ? 65 ILE A CB 65 ILE A CB 1 ATOM 489 C CG1 . ILE A 1 65 ? -5.826 -7.530 -5.883 1.00 98.08 ? 65 ILE A CG1 65 ILE A CG1 1 ATOM 490 C CG2 . ILE A 1 65 ? -3.623 -6.367 -5.474 1.00 98.08 ? 65 ILE A CG2 65 ILE A CG2 1 ATOM 491 C CD1 . ILE A 1 65 ? -5.491 -8.801 -5.113 1.00 98.08 ? 65 ILE A CD1 65 ILE A CD1 1 ATOM 492 N N . ILE A 1 66 ? -3.876 -4.908 -2.536 1.00 98.36 ? 66 ILE A N 66 ILE A N 1 ATOM 493 C CA . ILE A 1 66 ? -3.224 -3.742 -1.949 1.00 98.36 ? 66 ILE A CA 66 ILE A CA 1 ATOM 494 C C . ILE A 1 66 ? -1.735 -3.759 -2.286 1.00 98.36 ? 66 ILE A C 66 ILE A C 1 ATOM 495 O O . ILE A 1 66 ? -1.036 -4.732 -1.993 1.00 98.36 ? 66 ILE A O 66 ILE A O 1 ATOM 496 C CB . ILE A 1 66 ? -3.426 -3.693 -0.418 1.00 98.36 ? 66 ILE A CB 66 ILE A CB 1 ATOM 497 C CG1 . ILE A 1 66 ? -4.921 -3.716 -0.076 1.00 98.36 ? 66 ILE A CG1 66 ILE A CG1 1 ATOM 498 C CG2 . ILE A 1 66 ? -2.748 -2.455 0.177 1.00 98.36 ? 66 ILE A CG2 66 ILE A CG2 1 ATOM 499 C CD1 . ILE A 1 66 ? -5.230 -4.261 1.312 1.00 98.36 ? 66 ILE A CD1 66 ILE A CD1 1 ATOM 500 N N . GLU A 1 67 ? -1.319 -2.672 -2.936 1.00 98.24 ? 67 GLU A N 67 GLU A N 1 ATOM 501 C CA . GLU A 1 67 ? 0.080 -2.562 -3.336 1.00 98.24 ? 67 GLU A CA 67 GLU A CA 1 ATOM 502 C C . GLU A 1 67 ? 0.754 -1.369 -2.664 1.00 98.24 ? 67 GLU A C 67 GLU A C 1 ATOM 503 O O . GLU A 1 67 ? 0.256 -0.244 -2.741 1.00 98.24 ? 67 GLU A O 67 GLU A O 1 ATOM 504 C CB . GLU A 1 67 ? 0.196 -2.443 -4.858 1.00 98.24 ? 67 GLU A CB 67 GLU A CB 1 ATOM 505 C CG . GLU A 1 67 ? 1.630 -2.339 -5.359 1.00 98.24 ? 67 GLU A CG 67 GLU A CG 1 ATOM 506 C CD . GLU A 1 67 ? 2.370 -3.667 -5.340 1.00 98.24 ? 67 GLU A CD 67 GLU A CD 1 ATOM 507 O OE1 . GLU A 1 67 ? 3.590 -3.686 -5.617 1.00 98.24 ? 67 GLU A OE1 67 GLU A OE1 1 ATOM 508 O OE2 . GLU A 1 67 ? 1.723 -4.698 -5.046 1.00 98.24 ? 67 GLU A OE2 67 GLU A OE2 1 ATOM 509 N N . GLY A 1 68 ? 1.808 -1.723 -1.887 1.00 97.22 ? 68 GLY A N 68 GLY A N 1 ATOM 510 C CA . GLY A 1 68 ? 2.627 -0.662 -1.323 1.00 97.22 ? 68 GLY A CA 68 GLY A CA 1 ATOM 511 C C . GLY A 1 68 ? 2.072 -0.107 -0.025 1.00 97.22 ? 68 GLY A C 68 GLY A C 1 ATOM 512 O O . GLY A 1 68 ? 1.359 -0.804 0.701 1.00 97.22 ? 68 GLY A O 68 GLY A O 1 ATOM 513 N N . HIS A 1 69 ? 2.403 1.131 0.333 1.00 97.68 ? 69 HIS A N 69 HIS A N 1 ATOM 514 C CA . HIS A 1 69 ? 2.186 1.769 1.626 1.00 97.68 ? 69 HIS A CA 69 HIS A CA 1 ATOM 515 C C . HIS A 1 69 ? 0.794 2.388 1.709 1.00 97.68 ? 69 HIS A C 69 HIS A C 1 ATOM 516 O O . HIS A 1 69 ? 0.633 3.497 2.224 1.00 97.68 ? 69 HIS A O 69 HIS A O 1 ATOM 517 C CB . HIS A 1 69 ? 3.251 2.837 1.883 1.00 97.68 ? 69 HIS A CB 69 HIS A CB 1 ATOM 518 C CG . HIS A 1 69 ? 4.623 2.277 2.092 1.00 97.68 ? 69 HIS A CG 69 HIS A CG 1 ATOM 519 N ND1 . HIS A 1 69 ? 5.049 1.787 3.307 1.00 97.68 ? 69 HIS A ND1 69 HIS A ND1 1 ATOM 520 C CD2 . HIS A 1 69 ? 5.662 2.129 1.237 1.00 97.68 ? 69 HIS A CD2 69 HIS A CD2 1 ATOM 521 C CE1 . HIS A 1 69 ? 6.296 1.361 3.190 1.00 97.68 ? 69 HIS A CE1 69 HIS A CE1 1 ATOM 522 N NE2 . HIS A 1 69 ? 6.691 1.557 1.944 1.00 97.68 ? 69 HIS A NE2 69 HIS A NE2 1 ATOM 523 N N . VAL A 1 70 ? -0.267 1.712 1.366 1.00 98.20 ? 70 VAL A N 70 VAL A N 1 ATOM 524 C CA . VAL A 1 70 ? -1.649 2.179 1.418 1.00 98.20 ? 70 VAL A CA 70 VAL A CA 1 ATOM 525 C C . VAL A 1 70 ? -2.099 2.302 2.872 1.00 98.20 ? 70 VAL A C 70 VAL A C 1 ATOM 526 O O . VAL A 1 70 ? -1.944 1.363 3.657 1.00 98.20 ? 70 VAL A O 70 VAL A O 1 ATOM 527 C CB . VAL A 1 70 ? -2.596 1.236 0.643 1.00 98.20 ? 70 VAL A CB 70 VAL A CB 1 ATOM 528 C CG1 . VAL A 1 70 ? -4.021 1.788 0.638 1.00 98.20 ? 70 VAL A CG1 70 VAL A CG1 1 ATOM 529 C CG2 . VAL A 1 70 ? -2.094 1.031 -0.785 1.00 98.20 ? 70 VAL A CG2 70 VAL A CG2 1 ATOM 530 N N . PRO A 1 71 ? -2.656 3.403 3.267 1.00 97.88 ? 71 PRO A N 71 PRO A N 1 ATOM 531 C CA . PRO A 1 71 ? -3.117 3.585 4.646 1.00 97.88 ? 71 PRO A CA 71 PRO A CA 1 ATOM 532 C C . PRO A 1 71 ? -4.294 2.677 4.998 1.00 97.88 ? 71 PRO A C 71 PRO A C 1 ATOM 533 O O . PRO A 1 71 ? -5.157 2.424 4.154 1.00 97.88 ? 71 PRO A O 71 PRO A O 1 ATOM 534 C CB . PRO A 1 71 ? -3.531 5.058 4.688 1.00 97.88 ? 71 PRO A CB 71 PRO A CB 1 ATOM 535 C CG . PRO A 1 71 ? -2.815 5.689 3.538 1.00 97.88 ? 71 PRO A CG 71 PRO A CG 1 ATOM 536 C CD . PRO A 1 71 ? -2.702 4.678 2.433 1.00 97.88 ? 71 PRO A CD 71 PRO A CD 1 ATOM 537 N N . ALA A 1 72 ? -4.388 2.271 6.226 1.00 97.18 ? 72 ALA A N 72 ALA A N 1 ATOM 538 C CA . ALA A 1 72 ? -5.444 1.386 6.710 1.00 97.18 ? 72 ALA A CA 72 ALA A CA 1 ATOM 539 C C . ALA A 1 72 ? -6.819 2.023 6.530 1.00 97.18 ? 72 ALA A C 72 ALA A C 1 ATOM 540 O O . ALA A 1 72 ? -7.769 1.356 6.113 1.00 97.18 ? 72 ALA A O 72 ALA A O 1 ATOM 541 C CB . ALA A 1 72 ? -5.212 1.034 8.178 1.00 97.18 ? 72 ALA A CB 72 ALA A CB 1 ATOM 542 N N . ALA A 1 73 ? -6.890 3.329 6.796 1.00 96.40 ? 73 ALA A N 73 ALA A N 1 ATOM 543 C CA . ALA A 1 73 ? -8.170 4.021 6.675 1.00 96.40 ? 73 ALA A CA 73 ALA A CA 1 ATOM 544 C C . ALA A 1 73 ? -8.697 3.954 5.245 1.00 96.40 ? 73 ALA A C 73 ALA A C 1 ATOM 545 O O . ALA A 1 73 ? -9.900 3.786 5.027 1.00 96.40 ? 73 ALA A O 73 ALA A O 1 ATOM 546 C CB . ALA A 1 73 ? -8.033 5.476 7.120 1.00 96.40 ? 73 ALA A CB 73 ALA A CB 1 ATOM 547 N N . THR A 1 74 ? -7.742 4.068 4.321 1.00 97.42 ? 74 THR A N 74 THR A N 1 ATOM 548 C CA . THR A 1 74 ? -8.112 3.996 2.912 1.00 97.42 ? 74 THR A CA 74 THR A CA 1 ATOM 549 C C . THR A 1 74 ? -8.545 2.581 2.538 1.00 97.42 ? 74 THR A C 74 THR A C 1 ATOM 550 O O . THR A 1 74 ? -9.504 2.399 1.785 1.00 97.42 ? 74 THR A O 74 THR A O 1 ATOM 551 C CB . THR A 1 74 ? -6.947 4.435 2.005 1.00 97.42 ? 74 THR A CB 74 THR A CB 1 ATOM 552 O OG1 . THR A 1 74 ? -6.529 5.754 2.379 1.00 97.42 ? 74 THR A OG1 74 THR A OG1 1 ATOM 553 C CG2 . THR A 1 74 ? -7.364 4.442 0.539 1.00 97.42 ? 74 THR A CG2 74 THR A CG2 1 ATOM 554 N N . ILE A 1 75 ? -7.873 1.608 3.105 1.00 97.27 ? 75 ILE A N 75 ILE A N 1 ATOM 555 C CA . ILE A 1 75 ? -8.235 0.215 2.868 1.00 97.27 ? 75 ILE A CA 75 ILE A CA 1 ATOM 556 C C . ILE A 1 75 ? -9.645 -0.048 3.392 1.00 97.27 ? 75 ILE A C 75 ILE A C 1 ATOM 557 O O . ILE A 1 75 ? -10.459 -0.677 2.712 1.00 97.27 ? 75 ILE A O 75 ILE A O 1 ATOM 558 C CB . ILE A 1 75 ? -7.228 -0.751 3.531 1.00 97.27 ? 75 ILE A CB 75 ILE A CB 1 ATOM 559 C CG1 . ILE A 1 75 ? -5.856 -0.639 2.856 1.00 97.27 ? 75 ILE A CG1 75 ILE A CG1 1 ATOM 560 C CG2 . ILE A 1 75 ? -7.748 -2.191 3.480 1.00 97.27 ? 75 ILE A CG2 75 ILE A CG2 1 ATOM 561 C CD1 . ILE A 1 75 ? -4.743 -1.374 3.590 1.00 97.27 ? 75 ILE A CD1 75 ILE A CD1 1 ATOM 562 N N . HIS A 1 76 ? -9.981 0.461 4.530 1.00 95.52 ? 76 HIS A N 76 HIS A N 1 ATOM 563 C CA . HIS A 1 76 ? -11.325 0.308 5.077 1.00 95.52 ? 76 HIS A CA 76 HIS A CA 1 ATOM 564 C C . HIS A 1 76 ? -12.371 0.900 4.139 1.00 95.52 ? 76 HIS A C 76 HIS A C 1 ATOM 565 O O . HIS A 1 76 ? -13.417 0.289 3.904 1.00 95.52 ? 76 HIS A O 76 HIS A O 1 ATOM 566 C CB . HIS A 1 76 ? -11.421 0.967 6.454 1.00 95.52 ? 76 HIS A CB 76 HIS A CB 1 ATOM 567 C CG . HIS A 1 76 ? -10.754 0.185 7.541 1.00 95.52 ? 76 HIS A CG 76 HIS A CG 1 ATOM 568 N ND1 . HIS A 1 76 ? -11.143 -1.091 7.886 1.00 95.52 ? 76 HIS A ND1 76 HIS A ND1 1 ATOM 569 C CD2 . HIS A 1 76 ? -9.722 0.501 8.358 1.00 95.52 ? 76 HIS A CD2 76 HIS A CD2 1 ATOM 570 C CE1 . HIS A 1 76 ? -10.377 -1.527 8.871 1.00 95.52 ? 76 HIS A CE1 76 HIS A CE1 1 ATOM 571 N NE2 . HIS A 1 76 ? -9.506 -0.581 9.176 1.00 95.52 ? 76 HIS A NE2 76 HIS A NE2 1 ATOM 572 N N . LYS A 1 77 ? -12.090 2.069 3.534 1.00 95.59 ? 77 LYS A N 77 LYS A N 1 ATOM 573 C CA . LYS A 1 77 ? -13.019 2.713 2.609 1.00 95.59 ? 77 LYS A CA 77 LYS A CA 1 ATOM 574 C C . LYS A 1 77 ? -13.251 1.850 1.372 1.00 95.59 ? 77 LYS A C 77 LYS A C 1 ATOM 575 O O . LYS A 1 77 ? -14.383 1.719 0.904 1.00 95.59 ? 77 LYS A O 77 LYS A O 1 ATOM 576 C CB . LYS A 1 77 ? -12.497 4.090 2.197 1.00 95.59 ? 77 LYS A CB 77 LYS A CB 1 ATOM 577 C CG . LYS A 1 77 ? -12.538 5.126 3.310 1.00 95.59 ? 77 LYS A CG 77 LYS A CG 1 ATOM 578 C CD . LYS A 1 77 ? -12.009 6.475 2.839 1.00 95.59 ? 77 LYS A CD 77 LYS A CD 1 ATOM 579 C CE . LYS A 1 77 ? -11.971 7.489 3.973 1.00 95.59 ? 77 LYS A CE 77 LYS A CE 1 ATOM 580 N NZ . LYS A 1 77 ? -11.391 8.793 3.532 1.00 95.59 ? 77 LYS A NZ 77 LYS A NZ 1 ATOM 581 N N . ALA A 1 78 ? -12.194 1.217 0.966 1.00 95.73 ? 78 ALA A N 78 ALA A N 1 ATOM 582 C CA . ALA A 1 78 ? -12.273 0.410 -0.249 1.00 95.73 ? 78 ALA A CA 78 ALA A CA 1 ATOM 583 C C . ALA A 1 78 ? -13.009 -0.901 0.011 1.00 95.73 ? 78 ALA A C 78 ALA A C 1 ATOM 584 O O . ALA A 1 78 ? -13.556 -1.507 -0.914 1.00 95.73 ? 78 ALA A O 78 ALA A O 1 ATOM 585 C CB . ALA A 1 78 ? -10.875 0.133 -0.796 1.00 95.73 ? 78 ALA A CB 78 ALA A CB 1 ATOM 586 N N . MET A 1 79 ? -13.019 -1.295 1.227 1.00 93.72 ? 79 MET A N 79 MET A N 1 ATOM 587 C CA . MET A 1 79 ? -13.642 -2.570 1.572 1.00 93.72 ? 79 MET A CA 79 MET A CA 1 ATOM 588 C C . MET A 1 79 ? -15.135 -2.395 1.825 1.00 93.72 ? 79 MET A C 79 MET A C 1 ATOM 589 O O . MET A 1 79 ? -15.864 -3.378 1.973 1.00 93.72 ? 79 MET A O 79 MET A O 1 ATOM 590 C CB . MET A 1 79 ? -12.970 -3.182 2.802 1.00 93.72 ? 79 MET A CB 79 MET A CB 1 ATOM 591 C CG . MET A 1 79 ? -11.579 -3.731 2.532 1.00 93.72 ? 79 MET A CG 79 MET A CG 1 ATOM 592 S SD . MET A 1 79 ? -10.764 -4.361 4.050 1.00 93.72 ? 79 MET A SD 79 MET A SD 1 ATOM 593 C CE . MET A 1 79 ? -11.750 -5.855 4.345 1.00 93.72 ? 79 MET A CE 79 MET A CE 1 ATOM 594 N N . GLN A 1 80 ? -15.573 -1.183 1.837 1.00 92.22 ? 80 GLN A N 80 GLN A N 1 ATOM 595 C CA . GLN A 1 80 ? -16.994 -0.943 2.063 1.00 92.22 ? 80 GLN A CA 80 GLN A CA 1 ATOM 596 C C . GLN A 1 80 ? -17.837 -1.521 0.930 1.00 92.22 ? 80 GLN A C 80 GLN A C 1 ATOM 597 O O . GLN A 1 80 ? -17.408 -1.532 -0.226 1.00 92.22 ? 80 GLN A O 80 GLN A O 1 ATOM 598 C CB . GLN A 1 80 ? -17.269 0.555 2.211 1.00 92.22 ? 80 GLN A CB 80 GLN A CB 1 ATOM 599 C CG . GLN A 1 80 ? -16.684 1.165 3.477 1.00 92.22 ? 80 GLN A CG 80 GLN A CG 1 ATOM 600 C CD . GLN A 1 80 ? -16.889 2.667 3.553 1.00 92.22 ? 80 GLN A CD 80 GLN A CD 1 ATOM 601 O OE1 . GLN A 1 80 ? -17.529 3.264 2.682 1.00 92.22 ? 80 GLN A OE1 80 GLN A OE1 1 ATOM 602 N NE2 . GLN A 1 80 ? -16.346 3.287 4.595 1.00 92.22 ? 80 GLN A NE2 80 GLN A NE2 1 ATOM 603 N N . SER A 1 81 ? -18.967 -2.084 1.259 1.00 85.50 ? 81 SER A N 81 SER A N 1 ATOM 604 C CA . SER A 1 81 ? -19.881 -2.658 0.279 1.00 85.50 ? 81 SER A CA 81 SER A CA 1 ATOM 605 C C . SER A 1 81 ? -20.144 -1.688 -0.868 1.00 85.50 ? 81 SER A C 81 SER A C 1 ATOM 606 O O . SER A 1 81 ? -20.418 -0.508 -0.639 1.00 85.50 ? 81 SER A O 81 SER A O 1 ATOM 607 C CB . SER A 1 81 ? -21.203 -3.047 0.941 1.00 85.50 ? 81 SER A CB 81 SER A CB 1 ATOM 608 O OG . SER A 1 81 ? -22.078 -3.650 0.003 1.00 85.50 ? 81 SER A OG 81 SER A OG 1 ATOM 609 N N . GLY A 1 82 ? -19.935 -2.116 -2.161 1.00 85.03 ? 82 GLY A N 82 GLY A N 1 ATOM 610 C CA . GLY A 1 82 ? -20.259 -1.311 -3.328 1.00 85.03 ? 82 GLY A CA 82 GLY A CA 1 ATOM 611 C C . GLY A 1 82 ? -19.084 -0.496 -3.836 1.00 85.03 ? 82 GLY A C 82 GLY A C 1 ATOM 612 O O . GLY A 1 82 ? -19.241 0.336 -4.731 1.00 85.03 ? 82 GLY A O 82 GLY A O 1 ATOM 613 N N . SER A 1 83 ? -17.913 -0.628 -3.164 1.00 88.71 ? 83 SER A N 83 SER A N 1 ATOM 614 C CA . SER A 1 83 ? -16.784 0.197 -3.583 1.00 88.71 ? 83 SER A CA 83 SER A CA 1 ATOM 615 C C . SER A 1 83 ? -16.351 -0.139 -5.005 1.00 88.71 ? 83 SER A C 83 SER A C 1 ATOM 616 O O . SER A 1 83 ? -15.916 0.740 -5.752 1.00 88.71 ? 83 SER A O 83 SER A O 1 ATOM 617 C CB . SER A 1 83 ? -15.605 0.017 -2.626 1.00 88.71 ? 83 SER A CB 83 SER A CB 1 ATOM 618 O OG . SER A 1 83 ? -15.044 -1.278 -2.756 1.00 88.71 ? 83 SER A OG 83 SER A OG 1 ATOM 619 N N . GLY A 1 84 ? -16.539 -1.378 -5.453 1.00 91.23 ? 84 GLY A N 84 GLY A N 1 ATOM 620 C CA . GLY A 1 84 ? -16.131 -1.798 -6.784 1.00 91.23 ? 84 GLY A CA 84 GLY A CA 1 ATOM 621 C C . GLY A 1 84 ? -14.637 -1.678 -7.016 1.00 91.23 ? 84 GLY A C 84 GLY A C 1 ATOM 622 O O . GLY A 1 84 ? -14.171 -1.765 -8.154 1.00 91.23 ? 84 GLY A O 84 GLY A O 1 ATOM 623 N N . ILE A 1 85 ? -13.897 -1.489 -5.990 1.00 96.64 ? 85 ILE A N 85 ILE A N 1 ATOM 624 C CA . ILE A 1 85 ? -12.457 -1.296 -6.120 1.00 96.64 ? 85 ILE A CA 85 ILE A CA 1 ATOM 625 C C . ILE A 1 85 ? -11.757 -2.652 -6.169 1.00 96.64 ? 85 ILE A C 85 ILE A C 1 ATOM 626 O O . ILE A 1 85 ? -11.899 -3.465 -5.253 1.00 96.64 ? 85 ILE A O 85 ILE A O 1 ATOM 627 C CB . ILE A 1 85 ? -11.894 -0.444 -4.960 1.00 96.64 ? 85 ILE A CB 85 ILE A CB 1 ATOM 628 C CG1 . ILE A 1 85 ? -12.567 0.933 -4.933 1.00 96.64 ? 85 ILE A CG1 85 ILE A CG1 1 ATOM 629 C CG2 . ILE A 1 85 ? -10.373 -0.308 -5.078 1.00 96.64 ? 85 ILE A CG2 85 ILE A CG2 1 ATOM 630 C CD1 . ILE A 1 85 ? -12.322 1.767 -6.183 1.00 96.64 ? 85 ILE A CD1 85 ILE A CD1 1 ATOM 631 N N . TYR A 1 86 ? -11.015 -2.832 -7.289 1.00 97.43 ? 86 TYR A N 86 TYR A N 1 ATOM 632 C CA . TYR A 1 86 ? -10.266 -4.069 -7.481 1.00 97.43 ? 86 TYR A CA 86 TYR A CA 1 ATOM 633 C C . TYR A 1 86 ? -8.973 -4.054 -6.675 1.00 97.43 ? 86 TYR A C 86 TYR A C 1 ATOM 634 O O . TYR A 1 86 ? -8.644 -5.032 -6.000 1.00 97.43 ? 86 TYR A O 86 TYR A O 1 ATOM 635 C CB . TYR A 1 86 ? -9.953 -4.283 -8.965 1.00 97.43 ? 86 TYR A CB 86 TYR A CB 1 ATOM 636 C CG . TYR A 1 86 ? -9.035 -5.451 -9.229 1.00 97.43 ? 86 TYR A CG 86 TYR A CG 1 ATOM 637 C CD1 . TYR A 1 86 ? -7.689 -5.251 -9.526 1.00 97.43 ? 86 TYR A CD1 86 TYR A CD1 1 ATOM 638 C CD2 . TYR A 1 86 ? -9.512 -6.757 -9.184 1.00 97.43 ? 86 TYR A CD2 86 TYR A CD2 1 ATOM 639 C CE1 . TYR A 1 86 ? -6.839 -6.325 -9.772 1.00 97.43 ? 86 TYR A CE1 86 TYR A CE1 1 ATOM 640 C CE2 . TYR A 1 86 ? -8.671 -7.838 -9.428 1.00 97.43 ? 86 TYR A CE2 86 TYR A CE2 1 ATOM 641 C CZ . TYR A 1 86 ? -7.339 -7.612 -9.721 1.00 97.43 ? 86 TYR A CZ 86 TYR A CZ 1 ATOM 642 O OH . TYR A 1 86 ? -6.502 -8.679 -9.964 1.00 97.43 ? 86 TYR A OH 86 TYR A OH 1 ATOM 643 N N . GLY A 1 87 ? -8.150 -2.917 -6.786 1.00 98.09 ? 87 GLY A N 87 GLY A N 1 ATOM 644 C CA . GLY A 1 87 ? -6.862 -2.801 -6.121 1.00 98.09 ? 87 GLY A CA 87 GLY A CA 1 ATOM 645 C C . GLY A 1 87 ? -6.483 -1.367 -5.802 1.00 98.09 ? 87 GLY A C 87 GLY A C 1 ATOM 646 O O . GLY A 1 87 ? -6.925 -0.437 -6.480 1.00 98.09 ? 87 GLY A O 87 GLY A O 1 ATOM 647 N N . LEU A 1 88 ? -5.756 -1.222 -4.790 1.00 98.59 ? 88 LEU A N 88 LEU A N 1 ATOM 648 C CA . LEU A 1 88 ? -5.191 0.063 -4.393 1.00 98.59 ? 88 LEU A CA 88 LEU A CA 1 ATOM 649 C C . LEU A 1 88 ? -3.668 0.003 -4.368 1.00 98.59 ? 88 LEU A C 88 LEU A C 1 ATOM 650 O O . LEU A 1 88 ? -3.089 -1.028 -4.017 1.00 98.59 ? 88 LEU A O 88 LEU A O 1 ATOM 651 C CB . LEU A 1 88 ? -5.720 0.479 -3.017 1.00 98.59 ? 88 LEU A CB 88 LEU A CB 1 ATOM 652 C CG . LEU A 1 88 ? -7.225 0.735 -2.918 1.00 98.59 ? 88 LEU A CG 88 LEU A CG 1 ATOM 653 C CD1 . LEU A 1 88 ? -7.621 1.011 -1.472 1.00 98.59 ? 88 LEU A CD1 88 LEU A CD1 1 ATOM 654 C CD2 . LEU A 1 88 ? -7.630 1.895 -3.820 1.00 98.59 ? 88 LEU A CD2 88 LEU A CD2 1 ATOM 655 N N . ALA A 1 89 ? -3.065 1.143 -4.729 1.00 98.38 ? 89 ALA A N 89 ALA A N 1 ATOM 656 C CA . ALA A 1 89 ? -1.608 1.228 -4.669 1.00 98.38 ? 89 ALA A CA 89 ALA A CA 1 ATOM 657 C C . ALA A 1 89 ? -1.156 2.627 -4.261 1.00 98.38 ? 89 ALA A C 89 ALA A C 1 ATOM 658 O O . ALA A 1 89 ? -1.776 3.622 -4.644 1.00 98.38 ? 89 ALA A O 89 ALA A O 1 ATOM 659 C CB . ALA A 1 89 ? -0.998 0.846 -6.016 1.00 98.38 ? 89 ALA A CB 89 ALA A CB 1 ATOM 660 N N . THR A 1 90 ? -0.223 2.653 -3.403 1.00 98.02 ? 90 THR A N 90 THR A N 1 ATOM 661 C CA . THR A 1 90 ? 0.547 3.868 -3.160 1.00 98.02 ? 90 THR A CA 90 THR A CA 1 ATOM 662 C C . THR A 1 90 ? 1.891 3.811 -3.881 1.00 98.02 ? 90 THR A C 90 THR A C 1 ATOM 663 O O . THR A 1 90 ? 2.820 3.144 -3.421 1.00 98.02 ? 90 THR A O 90 THR A O 1 ATOM 664 C CB . THR A 1 90 ? 0.779 4.090 -1.654 1.00 98.02 ? 90 THR A CB 90 THR A CB 1 ATOM 665 O OG1 . THR A 1 90 ? -0.487 4.149 -0.985 1.00 98.02 ? 90 THR A OG1 90 THR A OG1 1 ATOM 666 C CG2 . THR A 1 90 ? 1.535 5.390 -1.399 1.00 98.02 ? 90 THR A CG2 90 THR A CG2 1 ATOM 667 N N . PRO A 1 91 ? 2.001 4.568 -5.011 1.00 93.51 ? 91 PRO A N 91 PRO A N 1 ATOM 668 C CA . PRO A 1 91 ? 3.269 4.556 -5.744 1.00 93.51 ? 91 PRO A CA 91 PRO A CA 1 ATOM 669 C C . PRO A 1 91 ? 4.406 5.217 -4.967 1.00 93.51 ? 91 PRO A C 91 PRO A C 1 ATOM 670 O O . PRO A 1 91 ? 4.194 6.234 -4.301 1.00 93.51 ? 91 PRO A O 91 PRO A O 1 ATOM 671 C CB . PRO A 1 91 ? 2.949 5.343 -7.017 1.00 93.51 ? 91 PRO A CB 91 PRO A CB 1 ATOM 672 C CG . PRO A 1 91 ? 1.459 5.298 -7.129 1.00 93.51 ? 91 PRO A CG 91 PRO A CG 1 ATOM 673 C CD . PRO A 1 91 ? 0.878 5.235 -5.746 1.00 93.51 ? 91 PRO A CD 91 PRO A CD 1 ATOM 674 N N . GLY A 1 92 ? 5.566 4.536 -4.929 1.00 93.93 ? 92 GLY A N 92 GLY A N 1 ATOM 675 C CA . GLY A 1 92 ? 6.757 5.083 -4.300 1.00 93.93 ? 92 GLY A CA 92 GLY A CA 1 ATOM 676 C C . GLY A 1 92 ? 6.815 4.826 -2.807 1.00 93.93 ? 92 GLY A C 92 GLY A C 1 ATOM 677 O O . GLY A 1 92 ? 6.277 3.828 -2.322 1.00 93.93 ? 92 GLY A O 92 GLY A O 1 ATOM 678 N N . MET A 1 93 ? 7.483 5.671 -2.036 1.00 94.29 ? 93 MET A N 93 MET A N 1 ATOM 679 C CA . MET A 1 93 ? 7.729 5.577 -0.600 1.00 94.29 ? 93 MET A CA 93 MET A CA 1 ATOM 680 C C . MET A 1 93 ? 7.538 6.932 0.074 1.00 94.29 ? 93 MET A C 93 MET A C 1 ATOM 681 O O . MET A 1 93 ? 8.502 7.534 0.552 1.00 94.29 ? 93 MET A O 93 MET A O 1 ATOM 682 C CB . MET A 1 93 ? 9.140 5.052 -0.329 1.00 94.29 ? 93 MET A CB 93 MET A CB 1 ATOM 683 C CG . MET A 1 93 ? 9.387 3.652 -0.866 1.00 94.29 ? 93 MET A CG 93 MET A CG 1 ATOM 684 S SD . MET A 1 93 ? 10.950 2.923 -0.238 1.00 94.29 ? 93 MET A SD 93 MET A SD 1 ATOM 685 C CE . MET A 1 93 ? 12.151 3.795 -1.281 1.00 94.29 ? 93 MET A CE 93 MET A CE 1 ATOM 686 N N . PRO A 1 94 ? 6.245 7.430 -0.035 1.00 95.39 ? 94 PRO A N 94 PRO A N 1 ATOM 687 C CA . PRO A 1 94 ? 6.034 8.776 0.503 1.00 95.39 ? 94 PRO A CA 94 PRO A CA 1 ATOM 688 C C . PRO A 1 94 ? 6.247 8.847 2.014 1.00 95.39 ? 94 PRO A C 94 PRO A C 1 ATOM 689 O O . PRO A 1 94 ? 5.771 7.978 2.749 1.00 95.39 ? 94 PRO A O 94 PRO A O 1 ATOM 690 C CB . PRO A 1 94 ? 4.577 9.076 0.142 1.00 95.39 ? 94 PRO A CB 94 PRO A CB 1 ATOM 691 C CG . PRO A 1 94 ? 3.932 7.734 0.010 1.00 95.39 ? 94 PRO A CG 94 PRO A CG 1 ATOM 692 C CD . PRO A 1 94 ? 4.973 6.747 -0.435 1.00 95.39 ? 94 PRO A CD 94 PRO A CD 1 ATOM 693 N N . ALA A 1 95 ? 7.007 9.839 2.434 1.00 94.99 ? 95 ALA A N 95 ALA A N 1 ATOM 694 C CA . ALA A 1 95 ? 7.215 10.089 3.858 1.00 94.99 ? 95 ALA A CA 95 ALA A CA 1 ATOM 695 C C . ALA A 1 95 ? 5.887 10.307 4.577 1.00 94.99 ? 95 ALA A C 95 ALA A C 1 ATOM 696 O O . ALA A 1 95 ? 5.029 11.051 4.097 1.00 94.99 ? 95 ALA A O 95 ALA A O 1 ATOM 697 C CB . ALA A 1 95 ? 8.128 11.296 4.058 1.00 94.99 ? 95 ALA A CB 95 ALA A CB 1 ATOM 698 N N . GLY A 1 96 ? 5.642 9.574 5.669 1.00 93.23 ? 96 GLY A N 96 GLY A N 1 ATOM 699 C CA . GLY A 1 96 ? 4.421 9.692 6.450 1.00 93.23 ? 96 GLY A CA 96 GLY A CA 1 ATOM 700 C C . GLY A 1 96 ? 3.436 8.568 6.191 1.00 93.23 ? 96 GLY A C 96 GLY A C 1 ATOM 701 O O . GLY A 1 96 ? 2.483 8.384 6.951 1.00 93.23 ? 96 GLY A O 96 GLY A O 1 ATOM 702 N N . SER A 1 97 ? 3.714 7.876 5.084 1.00 95.82 ? 97 SER A N 97 SER A N 1 ATOM 703 C CA . SER A 1 97 ? 2.862 6.723 4.812 1.00 95.82 ? 97 SER A CA 97 SER A CA 1 ATOM 704 C C . SER A 1 97 ? 3.157 5.579 5.776 1.00 95.82 ? 97 SER A C 97 SER A C 1 ATOM 705 O O . SER A 1 97 ? 4.198 5.569 6.437 1.00 95.82 ? 97 SER A O 97 SER A O 1 ATOM 706 C CB . SER A 1 97 ? 3.047 6.247 3.371 1.00 95.82 ? 97 SER A CB 97 SER A CB 1 ATOM 707 O OG . SER A 1 97 ? 4.369 5.782 3.161 1.00 95.82 ? 97 SER A OG 97 SER A OG 1 ATOM 708 N N . PRO A 1 98 ? 2.180 4.617 5.936 1.00 96.31 ? 98 PRO A N 98 PRO A N 1 ATOM 709 C CA . PRO A 1 98 ? 2.422 3.501 6.854 1.00 96.31 ? 98 PRO A CA 98 PRO A CA 1 ATOM 710 C C . PRO A 1 98 ? 3.723 2.761 6.553 1.00 96.31 ? 98 PRO A C 98 PRO A C 1 ATOM 711 O O . PRO A 1 98 ? 3.967 2.375 5.407 1.00 96.31 ? 98 PRO A O 98 PRO A O 1 ATOM 712 C CB . PRO A 1 98 ? 1.212 2.591 6.630 1.00 96.31 ? 98 PRO A CB 98 PRO A CB 1 ATOM 713 C CG . PRO A 1 98 ? 0.139 3.500 6.123 1.00 96.31 ? 98 PRO A CG 98 PRO A CG 1 ATOM 714 C CD . PRO A 1 98 ? 0.774 4.555 5.264 1.00 96.31 ? 98 PRO A CD 98 PRO A CD 1 ATOM 715 N N . GLY A 1 99 ? 4.558 2.659 7.486 1.00 94.57 ? 99 GLY A N 99 GLY A N 1 ATOM 716 C CA . GLY A 1 99 ? 5.866 2.037 7.356 1.00 94.57 ? 99 GLY A CA 99 GLY A CA 1 ATOM 717 C C . GLY A 1 99 ? 6.963 3.022 6.997 1.00 94.57 ? 99 GLY A C 99 GLY A C 1 ATOM 718 O O . GLY A 1 99 ? 8.144 2.669 6.994 1.00 94.57 ? 99 GLY A O 99 GLY A O 1 ATOM 719 N N . MET A 1 100 ? 6.530 4.234 6.669 1.00 94.37 ? 100 MET A N 100 MET A N 1 ATOM 720 C CA . MET A 1 100 ? 7.501 5.248 6.267 1.00 94.37 ? 100 MET A CA 100 MET A CA 1 ATOM 721 C C . MET A 1 100 ? 7.438 6.458 7.193 1.00 94.37 ? 100 MET A C 100 MET A C 1 ATOM 722 O O . MET A 1 100 ? 7.636 7.592 6.753 1.00 94.37 ? 100 MET A O 100 MET A O 1 ATOM 723 C CB . MET A 1 100 ? 7.260 5.682 4.821 1.00 94.37 ? 100 MET A CB 100 MET A CB 1 ATOM 724 C CG . MET A 1 100 ? 7.352 4.546 3.816 1.00 94.37 ? 100 MET A CG 100 MET A CG 1 ATOM 725 S SD . MET A 1 100 ? 8.959 3.663 3.897 1.00 94.37 ? 100 MET A SD 100 MET A SD 1 ATOM 726 C CE . MET A 1 100 ? 10.083 5.000 3.406 1.00 94.37 ? 100 MET A CE 100 MET A CE 1 ATOM 727 N N . GLU A 1 101 ? 7.080 6.266 8.489 1.00 91.70 ? 101 GLU A N 101 GLU A N 1 ATOM 728 C CA . GLU A 1 101 ? 6.973 7.367 9.441 1.00 91.70 ? 101 GLU A CA 101 GLU A CA 1 ATOM 729 C C . GLU A 1 101 ? 8.347 7.933 9.787 1.00 91.70 ? 101 GLU A C 101 GLU A C 1 ATOM 730 O O . GLU A 1 101 ? 9.275 7.181 10.094 1.00 91.70 ? 101 GLU A O 101 GLU A O 1 ATOM 731 C CB . GLU A 1 101 ? 6.257 6.910 10.714 1.00 91.70 ? 101 GLU A CB 101 GLU A CB 1 ATOM 732 C CG . GLU A 1 101 ? 4.801 6.524 10.496 1.00 91.70 ? 101 GLU A CG 101 GLU A CG 1 ATOM 733 C CD . GLU A 1 101 ? 4.623 5.082 10.046 1.00 91.70 ? 101 GLU A CD 101 GLU A CD 1 ATOM 734 O OE1 . GLU A 1 101 ? 3.464 4.629 9.905 1.00 91.70 ? 101 GLU A OE1 101 GLU A OE1 1 ATOM 735 O OE2 . GLU A 1 101 ? 5.650 4.400 9.835 1.00 91.70 ? 101 GLU A OE2 101 GLU A OE2 1 ATOM 736 N N . MET A 1 102 ? 8.555 9.216 9.505 1.00 87.17 ? 102 MET A N 102 MET A N 1 ATOM 737 C CA . MET A 1 102 ? 9.809 9.917 9.772 1.00 87.17 ? 102 MET A CA 102 MET A CA 1 ATOM 738 C C . MET A 1 102 ? 9.570 11.147 10.641 1.00 87.17 ? 102 MET A C 102 MET A C 1 ATOM 739 O O . MET A 1 102 ? 9.759 12.278 10.188 1.00 87.17 ? 102 MET A O 102 MET A O 1 ATOM 740 C CB . MET A 1 102 ? 10.487 10.324 8.463 1.00 87.17 ? 102 MET A CB 102 MET A CB 1 ATOM 741 C CG . MET A 1 102 ? 10.892 9.148 7.590 1.00 87.17 ? 102 MET A CG 102 MET A CG 1 ATOM 742 S SD . MET A 1 102 ? 11.866 9.663 6.123 1.00 87.17 ? 102 MET A SD 102 MET A SD 1 ATOM 743 C CE . MET A 1 102 ? 13.474 9.981 6.901 1.00 87.17 ? 102 MET A CE 102 MET A CE 1 ATOM 744 N N . GLY A 1 103 ? 9.004 10.935 11.862 1.00 87.28 ? 103 GLY A N 103 GLY A N 1 ATOM 745 C CA . GLY A 1 103 ? 8.738 12.068 12.734 1.00 87.28 ? 103 GLY A CA 103 GLY A CA 1 ATOM 746 C C . GLY A 1 103 ? 7.659 12.991 12.200 1.00 87.28 ? 103 GLY A C 103 GLY A C 1 ATOM 747 O O . GLY A 1 103 ? 6.572 12.539 11.835 1.00 87.28 ? 103 GLY A O 103 GLY A O 1 ATOM 748 N N . ALA A 1 104 ? 7.981 14.337 12.032 1.00 87.38 ? 104 ALA A N 104 ALA A N 1 ATOM 749 C CA . ALA A 1 104 ? 6.986 15.330 11.636 1.00 87.38 ? 104 ALA A CA 104 ALA A CA 1 ATOM 750 C C . ALA A 1 104 ? 6.938 15.484 10.118 1.00 87.38 ? 104 ALA A C 104 ALA A C 1 ATOM 751 O O . ALA A 1 104 ? 6.046 16.147 9.583 1.00 87.38 ? 104 ALA A O 104 ALA A O 1 ATOM 752 C CB . ALA A 1 104 ? 7.285 16.675 12.294 1.00 87.38 ? 104 ALA A CB 104 ALA A CB 1 ATOM 753 N N . ARG A 1 105 ? 7.836 14.813 9.460 1.00 88.52 ? 105 ARG A N 105 ARG A N 1 ATOM 754 C CA . ARG A 1 105 ? 7.888 14.967 8.010 1.00 88.52 ? 105 ARG A CA 105 ARG A CA 1 ATOM 755 C C . ARG A 1 105 ? 6.778 14.169 7.334 1.00 88.52 ? 105 ARG A C 105 ARG A C 1 ATOM 756 O O . ARG A 1 105 ? 6.637 12.967 7.573 1.00 88.52 ? 105 ARG A O 105 ARG A O 1 ATOM 757 C CB . ARG A 1 105 ? 9.251 14.530 7.471 1.00 88.52 ? 105 ARG A CB 105 ARG A CB 1 ATOM 758 C CG . ARG A 1 105 ? 9.417 14.737 5.974 1.00 88.52 ? 105 ARG A CG 105 ARG A CG 1 ATOM 759 C CD . ARG A 1 105 ? 10.807 14.335 5.500 1.00 88.52 ? 105 ARG A CD 105 ARG A CD 1 ATOM 760 N NE . ARG A 1 105 ? 10.901 14.340 4.043 1.00 88.52 ? 105 ARG A NE 105 ARG A NE 1 ATOM 761 C CZ . ARG A 1 105 ? 11.956 14.765 3.353 1.00 88.52 ? 105 ARG A CZ 105 ARG A CZ 1 ATOM 762 N NH1 . ARG A 1 105 ? 13.032 15.230 3.977 1.00 88.52 ? 105 ARG A NH1 105 ARG A NH1 1 ATOM 763 N NH2 . ARG A 1 105 ? 11.936 14.724 2.028 1.00 88.52 ? 105 ARG A NH2 105 ARG A NH2 1 ATOM 764 N N . LYS A 1 106 ? 5.990 14.867 6.428 1.00 92.75 ? 106 LYS A N 106 LYS A N 1 ATOM 765 C CA . LYS A 1 106 ? 4.909 14.267 5.652 1.00 92.75 ? 106 LYS A CA 106 LYS A CA 1 ATOM 766 C C . LYS A 1 106 ? 4.942 14.741 4.202 1.00 92.75 ? 106 LYS A C 106 LYS A C 1 ATOM 767 O O . LYS A 1 106 ? 5.246 15.905 3.932 1.00 92.75 ? 106 LYS A O 106 LYS A O 1 ATOM 768 C CB . LYS A 1 106 ? 3.553 14.594 6.280 1.00 92.75 ? 106 LYS A CB 106 LYS A CB 1 ATOM 769 C CG . LYS A 1 106 ? 3.341 13.976 7.654 1.00 92.75 ? 106 LYS A CG 106 LYS A CG 1 ATOM 770 C CD . LYS A 1 106 ? 1.949 14.277 8.194 1.00 92.75 ? 106 LYS A CD 106 LYS A CD 1 ATOM 771 C CE . LYS A 1 106 ? 1.745 13.681 9.580 1.00 92.75 ? 106 LYS A CE 106 LYS A CE 1 ATOM 772 N NZ . LYS A 1 106 ? 0.380 13.972 10.113 1.00 92.75 ? 106 LYS A NZ 106 LYS A NZ 1 ATOM 773 N N . GLU A 1 107 ? 4.820 13.754 3.385 1.00 94.36 ? 107 GLU A N 107 GLU A N 1 ATOM 774 C CA . GLU A 1 107 ? 4.683 14.031 1.959 1.00 94.36 ? 107 GLU A CA 107 GLU A CA 1 ATOM 775 C C . GLU A 1 107 ? 3.273 13.718 1.468 1.00 94.36 ? 107 GLU A C 107 GLU A C 1 ATOM 776 O O . GLU A 1 107 ? 2.750 12.629 1.718 1.00 94.36 ? 107 GLU A O 107 GLU A O 1 ATOM 777 C CB . GLU A 1 107 ? 5.710 13.231 1.154 1.00 94.36 ? 107 GLU A CB 107 GLU A CB 1 ATOM 778 C CG . GLU A 1 107 ? 5.706 13.546 -0.335 1.00 94.36 ? 107 GLU A CG 107 GLU A CG 1 ATOM 779 C CD . GLU A 1 107 ? 6.694 12.707 -1.129 1.00 94.36 ? 107 GLU A CD 107 GLU A CD 1 ATOM 780 O OE1 . GLU A 1 107 ? 6.785 12.884 -2.365 1.00 94.36 ? 107 GLU A OE1 107 GLU A OE1 1 ATOM 781 O OE2 . GLU A 1 107 ? 7.381 11.864 -0.510 1.00 94.36 ? 107 GLU A OE2 107 GLU A OE2 1 ATOM 782 N N . ALA A 1 108 ? 2.667 14.739 0.806 1.00 95.99 ? 108 ALA A N 108 ALA A N 1 ATOM 783 C CA . ALA A 1 108 ? 1.376 14.451 0.187 1.00 95.99 ? 108 ALA A CA 108 ALA A CA 1 ATOM 784 C C . ALA A 1 108 ? 1.522 13.427 -0.935 1.00 95.99 ? 108 ALA A C 108 ALA A C 1 ATOM 785 O O . ALA A 1 108 ? 2.498 13.457 -1.688 1.00 95.99 ? 108 ALA A O 108 ALA A O 1 ATOM 786 C CB . ALA A 1 108 ? 0.744 15.735 -0.347 1.00 95.99 ? 108 ALA A CB 108 ALA A CB 1 ATOM 787 N N . TYR A 1 109 ? 0.557 12.515 -0.968 1.00 97.49 ? 109 TYR A N 109 TYR A N 1 ATOM 788 C CA . TYR A 1 109 ? 0.623 11.508 -2.020 1.00 97.49 ? 109 TYR A CA 109 TYR A CA 1 ATOM 789 C C . TYR A 1 109 ? -0.767 10.990 -2.368 1.00 97.49 ? 109 TYR A C 109 TYR A C 1 ATOM 790 O O . TYR A 1 109 ? -1.728 11.233 -1.634 1.00 97.49 ? 109 TYR A O 109 TYR A O 1 ATOM 791 C CB . TYR A 1 109 ? 1.522 10.343 -1.594 1.00 97.49 ? 109 TYR A CB 109 TYR A CB 1 ATOM 792 C CG . TYR A 1 109 ? 1.062 9.651 -0.334 1.00 97.49 ? 109 TYR A CG 109 TYR A CG 1 ATOM 793 C CD1 . TYR A 1 109 ? 1.352 10.180 0.921 1.00 97.49 ? 109 TYR A CD1 109 TYR A CD1 1 ATOM 794 C CD2 . TYR A 1 109 ? 0.336 8.466 -0.396 1.00 97.49 ? 109 TYR A CD2 109 TYR A CD2 1 ATOM 795 C CE1 . TYR A 1 109 ? 0.932 9.545 2.085 1.00 97.49 ? 109 TYR A CE1 109 TYR A CE1 1 ATOM 796 C CE2 . TYR A 1 109 ? -0.089 7.822 0.761 1.00 97.49 ? 109 TYR A CE2 109 TYR A CE2 1 ATOM 797 C CZ . TYR A 1 109 ? 0.212 8.368 1.995 1.00 97.49 ? 109 TYR A CZ 109 TYR A CZ 1 ATOM 798 O OH . TYR A 1 109 ? -0.206 7.735 3.144 1.00 97.49 ? 109 TYR A OH 109 TYR A OH 1 ATOM 799 N N . ASP A 1 110 ? -0.840 10.321 -3.527 1.00 98.07 ? 110 ASP A N 110 ASP A N 1 ATOM 800 C CA . ASP A 1 110 ? -2.090 9.736 -4.003 1.00 98.07 ? 110 ASP A CA 110 ASP A CA 1 ATOM 801 C C . ASP A 1 110 ? -2.115 8.227 -3.767 1.00 98.07 ? 110 ASP A C 110 ASP A C 1 ATOM 802 O O . ASP A 1 110 ? -1.095 7.552 -3.920 1.00 98.07 ? 110 ASP A O 110 ASP A O 1 ATOM 803 C CB . ASP A 1 110 ? -2.292 10.039 -5.489 1.00 98.07 ? 110 ASP A CB 110 ASP A CB 1 ATOM 804 C CG . ASP A 1 110 ? -2.571 11.506 -5.762 1.00 98.07 ? 110 ASP A CG 110 ASP A CG 1 ATOM 805 O OD1 . ASP A 1 110 ? -3.083 12.208 -4.863 1.00 98.07 ? 110 ASP A OD1 110 ASP A OD1 1 ATOM 806 O OD2 . ASP A 1 110 ? -2.278 11.965 -6.888 1.00 98.07 ? 110 ASP A OD2 110 ASP A OD2 1 ATOM 807 N N . VAL A 1 111 ? -3.272 7.826 -3.341 1.00 98.38 ? 111 VAL A N 111 VAL A N 1 ATOM 808 C CA . VAL A 1 111 ? -3.602 6.407 -3.421 1.00 98.38 ? 111 VAL A CA 111 VAL A CA 1 ATOM 809 C C . VAL A 1 111 ? -4.379 6.129 -4.706 1.00 98.38 ? 111 VAL A C 111 VAL A C 1 ATOM 810 O O . VAL A 1 111 ? -5.421 6.741 -4.953 1.00 98.38 ? 111 VAL A O 111 VAL A O 1 ATOM 811 C CB . VAL A 1 111 ? -4.418 5.944 -2.194 1.00 98.38 ? 111 VAL A CB 111 VAL A CB 1 ATOM 812 C CG1 . VAL A 1 111 ? -4.746 4.456 -2.294 1.00 98.38 ? 111 VAL A CG1 111 VAL A CG1 1 ATOM 813 C CG2 . VAL A 1 111 ? -3.655 6.240 -0.904 1.00 98.38 ? 111 VAL A CG2 111 VAL A CG2 1 ATOM 814 N N . ILE A 1 112 ? -3.853 5.185 -5.522 1.00 98.52 ? 112 ILE A N 112 ILE A N 1 ATOM 815 C CA . ILE A 1 112 ? -4.368 4.927 -6.862 1.00 98.52 ? 112 ILE A CA 112 ILE A CA 1 ATOM 816 C C . ILE A 1 112 ? -5.215 3.656 -6.853 1.00 98.52 ? 112 ILE A C 112 ILE A C 1 ATOM 817 O O . ILE A 1 112 ? -4.793 2.625 -6.326 1.00 98.52 ? 112 ILE A O 112 ILE A O 1 ATOM 818 C CB . ILE A 1 112 ? -3.224 4.801 -7.893 1.00 98.52 ? 112 ILE A CB 112 ILE A CB 1 ATOM 819 C CG1 . ILE A 1 112 ? -2.318 6.036 -7.838 1.00 98.52 ? 112 ILE A CG1 112 ILE A CG1 1 ATOM 820 C CG2 . ILE A 1 112 ? -3.787 4.597 -9.302 1.00 98.52 ? 112 ILE A CG2 112 ILE A CG2 1 ATOM 821 C CD1 . ILE A 1 112 ? -3.032 7.343 -8.157 1.00 98.52 ? 112 ILE A CD1 112 ILE A CD1 1 ATOM 822 N N . ALA A 1 113 ? -6.438 3.793 -7.333 1.00 98.37 ? 113 ALA A N 113 ALA A N 1 ATOM 823 C CA . ALA A 1 113 ? -7.240 2.614 -7.648 1.00 98.37 ? 113 ALA A CA 113 ALA A CA 1 ATOM 824 C C . ALA A 1 113 ? -6.925 2.094 -9.048 1.00 98.37 ? 113 ALA A C 113 ALA A C 1 ATOM 825 O O . ALA A 1 113 ? -6.800 2.876 -9.993 1.00 98.37 ? 113 ALA A O 113 ALA A O 1 ATOM 826 C CB . ALA A 1 113 ? -8.728 2.934 -7.526 1.00 98.37 ? 113 ALA A CB 113 ALA A CB 1 ATOM 827 N N . PHE A 1 114 ? -6.725 0.739 -9.155 1.00 98.29 ? 114 PHE A N 114 PHE A N 1 ATOM 828 C CA . PHE A 1 114 ? -6.446 0.149 -10.459 1.00 98.29 ? 114 PHE A CA 114 PHE A CA 1 ATOM 829 C C . PHE A 1 114 ? -7.345 -1.055 -10.712 1.00 98.29 ? 114 PHE A C 114 PHE A C 1 ATOM 830 O O . PHE A 1 114 ? -7.886 -1.640 -9.772 1.00 98.29 ? 114 PHE A O 114 PHE A O 1 ATOM 831 C CB . PHE A 1 114 ? -4.974 -0.264 -10.560 1.00 98.29 ? 114 PHE A CB 114 PHE A CB 1 ATOM 832 C CG . PHE A 1 114 ? -4.578 -1.341 -9.587 1.00 98.29 ? 114 PHE A CG 114 PHE A CG 1 ATOM 833 C CD1 . PHE A 1 114 ? -4.091 -1.014 -8.327 1.00 98.29 ? 114 PHE A CD1 114 PHE A CD1 1 ATOM 834 C CD2 . PHE A 1 114 ? -4.692 -2.681 -9.932 1.00 98.29 ? 114 PHE A CD2 114 PHE A CD2 1 ATOM 835 C CE1 . PHE A 1 114 ? -3.724 -2.009 -7.424 1.00 98.29 ? 114 PHE A CE1 114 PHE A CE1 1 ATOM 836 C CE2 . PHE A 1 114 ? -4.327 -3.681 -9.035 1.00 98.29 ? 114 PHE A CE2 114 PHE A CE2 1 ATOM 837 C CZ . PHE A 1 114 ? -3.842 -3.343 -7.782 1.00 98.29 ? 114 PHE A CZ 114 PHE A CZ 1 ATOM 838 N N . SER A 1 115 ? -7.529 -1.329 -12.030 1.00 97.20 ? 115 SER A N 115 SER A N 1 ATOM 839 C CA . SER A 1 115 ? -8.339 -2.459 -12.473 1.00 97.20 ? 115 SER A CA 115 SER A CA 1 ATOM 840 C C . SER A 1 115 ? -7.552 -3.370 -13.409 1.00 97.20 ? 115 SER A C 115 SER A C 1 ATOM 841 O O . SER A 1 115 ? -6.568 -2.944 -14.016 1.00 97.20 ? 115 SER A O 115 SER A O 1 ATOM 842 C CB . SER A 1 115 ? -9.607 -1.968 -13.172 1.00 97.20 ? 115 SER A CB 115 SER A CB 1 ATOM 843 O OG . SER A 1 115 ? -10.411 -1.213 -12.283 1.00 97.20 ? 115 SER A OG 115 SER A OG 1 ATOM 844 N N . PRO A 1 116 ? -8.059 -4.584 -13.571 1.00 96.01 ? 116 PRO A N 116 PRO A N 1 ATOM 845 C CA . PRO A 1 116 ? -7.352 -5.529 -14.438 1.00 96.01 ? 116 PRO A CA 116 PRO A CA 1 ATOM 846 C C . PRO A 1 116 ? -7.317 -5.079 -15.897 1.00 96.01 ? 116 PRO A C 116 PRO A C 1 ATOM 847 O O . PRO A 1 116 ? -6.450 -5.512 -16.660 1.00 96.01 ? 116 PRO A O 116 PRO A O 1 ATOM 848 C CB . PRO A 1 116 ? -8.159 -6.821 -14.285 1.00 96.01 ? 116 PRO A CB 116 PRO A CB 1 ATOM 849 C CG . PRO A 1 116 ? -8.802 -6.712 -12.940 1.00 96.01 ? 116 PRO A CG 116 PRO A CG 1 ATOM 850 C CD . PRO A 1 116 ? -9.114 -5.267 -12.676 1.00 96.01 ? 116 PRO A CD 116 PRO A CD 1 ATOM 851 N N . ASP A 1 117 ? -8.202 -4.194 -16.222 1.00 95.44 ? 117 ASP A N 117 ASP A N 1 ATOM 852 C CA . ASP A 1 117 ? -8.246 -3.735 -17.607 1.00 95.44 ? 117 ASP A CA 117 ASP A CA 1 ATOM 853 C C . ASP A 1 117 ? -7.205 -2.646 -17.858 1.00 95.44 ? 117 ASP A C 117 ASP A C 1 ATOM 854 O O . ASP A 1 117 ? -7.101 -2.123 -18.970 1.00 95.44 ? 117 ASP A O 117 ASP A O 1 ATOM 855 C CB . ASP A 1 117 ? -9.643 -3.217 -17.956 1.00 95.44 ? 117 ASP A CB 117 ASP A CB 1 ATOM 856 C CG . ASP A 1 117 ? -10.017 -1.959 -17.192 1.00 95.44 ? 117 ASP A CG 117 ASP A CG 1 ATOM 857 O OD1 . ASP A 1 117 ? -9.164 -1.414 -16.458 1.00 95.44 ? 117 ASP A OD1 117 ASP A OD1 1 ATOM 858 O OD2 . ASP A 1 117 ? -11.177 -1.510 -17.322 1.00 95.44 ? 117 ASP A OD2 117 ASP A OD2 1 ATOM 859 N N . GLY A 1 118 ? -6.429 -2.305 -16.823 1.00 94.28 ? 118 GLY A N 118 GLY A N 1 ATOM 860 C CA . GLY A 1 118 ? -5.328 -1.368 -16.980 1.00 94.28 ? 118 GLY A CA 118 GLY A CA 1 ATOM 861 C C . GLY A 1 118 ? -5.686 0.047 -16.567 1.00 94.28 ? 118 GLY A C 118 GLY A C 1 ATOM 862 O O . GLY A 1 118 ? -4.819 0.922 -16.514 1.00 94.28 ? 118 GLY A O 118 GLY A O 1 ATOM 863 N N . SER A 1 119 ? -6.970 0.290 -16.318 1.00 96.44 ? 119 SER A N 119 SER A N 1 ATOM 864 C CA . SER A 1 119 ? -7.387 1.628 -15.911 1.00 96.44 ? 119 SER A CA 119 SER A CA 1 ATOM 865 C C . SER A 1 119 ? -6.902 1.953 -14.501 1.00 96.44 ? 119 SER A C 119 SER A C 1 ATOM 866 O O . SER A 1 119 ? -6.773 1.059 -13.662 1.00 96.44 ? 119 SER A O 119 SER A O 1 ATOM 867 C CB . SER A 1 119 ? -8.909 1.759 -15.978 1.00 96.44 ? 119 SER A CB 119 SER A CB 1 ATOM 868 O OG . SER A 1 119 ? -9.530 0.897 -15.040 1.00 96.44 ? 119 SER A OG 119 SER A OG 1 ATOM 869 N N . LYS A 1 120 ? -6.570 3.353 -14.349 1.00 97.38 ? 120 LYS A N 120 LYS A N 1 ATOM 870 C CA . LYS A 1 120 ? -6.125 3.887 -13.065 1.00 97.38 ? 120 LYS A CA 120 LYS A CA 1 ATOM 871 C C . LYS A 1 120 ? -6.816 5.212 -12.752 1.00 97.38 ? 120 LYS A C 120 LYS A C 1 ATOM 872 O O . LYS A 1 120 ? -7.102 5.998 -13.657 1.00 97.38 ? 120 LYS A O 120 LYS A O 1 ATOM 873 C CB . LYS A 1 120 ? -4.607 4.073 -13.058 1.00 97.38 ? 120 LYS A CB 120 LYS A CB 1 ATOM 874 C CG . LYS A 1 120 ? -3.828 2.813 -13.403 1.00 97.38 ? 120 LYS A CG 120 LYS A CG 1 ATOM 875 C CD . LYS A 1 120 ? -2.343 3.106 -13.583 1.00 97.38 ? 120 LYS A CD 120 LYS A CD 1 ATOM 876 C CE . LYS A 1 120 ? -1.602 1.907 -14.159 1.00 97.38 ? 120 LYS A CE 120 LYS A CE 1 ATOM 877 N NZ . LYS A 1 120 ? -0.148 2.192 -14.345 1.00 97.38 ? 120 LYS A NZ 120 LYS A NZ 1 ATOM 878 N N . LYS A 1 121 ? -7.110 5.357 -11.487 1.00 97.61 ? 121 LYS A N 121 LYS A N 1 ATOM 879 C CA . LYS A 1 121 ? -7.647 6.643 -11.051 1.00 97.61 ? 121 LYS A CA 121 LYS A CA 1 ATOM 880 C C . LYS A 1 121 ? -7.227 6.956 -9.618 1.00 97.61 ? 121 LYS A C 121 LYS A C 1 ATOM 881 O O . LYS A 1 121 ? -6.931 6.047 -8.839 1.00 97.61 ? 121 LYS A O 121 LYS A O 1 ATOM 882 C CB . LYS A 1 121 ? -9.172 6.655 -11.165 1.00 97.61 ? 121 LYS A CB 121 LYS A CB 1 ATOM 883 C CG . LYS A 1 121 ? -9.871 5.690 -10.218 1.00 97.61 ? 121 LYS A CG 121 LYS A CG 1 ATOM 884 C CD . LYS A 1 121 ? -11.385 5.746 -10.381 1.00 97.61 ? 121 LYS A CD 121 LYS A CD 1 ATOM 885 C CE . LYS A 1 121 ? -12.086 4.787 -9.429 1.00 97.61 ? 121 LYS A CE 121 LYS A CE 1 ATOM 886 N NZ . LYS A 1 121 ? -13.569 4.825 -9.597 1.00 97.61 ? 121 LYS A NZ 121 LYS A NZ 1 ATOM 887 N N . VAL A 1 122 ? -7.158 8.245 -9.365 1.00 98.04 ? 122 VAL A N 122 VAL A N 1 ATOM 888 C CA . VAL A 1 122 ? -6.898 8.627 -7.981 1.00 98.04 ? 122 VAL A CA 122 VAL A CA 1 ATOM 889 C C . VAL A 1 122 ? -8.106 8.281 -7.113 1.00 98.04 ? 122 VAL A C 122 VAL A C 1 ATOM 890 O O . VAL A 1 122 ? -9.216 8.754 -7.367 1.00 98.04 ? 122 VAL A O 122 VAL A O 1 ATOM 891 C CB . VAL A 1 122 ? -6.567 10.131 -7.860 1.00 98.04 ? 122 VAL A CB 122 VAL A CB 1 ATOM 892 C CG1 . VAL A 1 122 ? -6.406 10.532 -6.394 1.00 98.04 ? 122 VAL A CG1 122 VAL A CG1 1 ATOM 893 C CG2 . VAL A 1 122 ? -5.304 10.465 -8.651 1.00 98.04 ? 122 VAL A CG2 122 VAL A CG2 1 ATOM 894 N N . PHE A 1 123 ? -7.853 7.437 -6.033 1.00 97.87 ? 123 PHE A N 123 PHE A N 1 ATOM 895 C CA . PHE A 1 123 ? -8.896 7.054 -5.089 1.00 97.87 ? 123 PHE A CA 123 PHE A CA 1 ATOM 896 C C . PHE A 1 123 ? -8.980 8.052 -3.941 1.00 97.87 ? 123 PHE A C 123 PHE A C 1 ATOM 897 O O . PHE A 1 123 ? -10.074 8.460 -3.545 1.00 97.87 ? 123 PHE A O 123 PHE A O 1 ATOM 898 C CB . PHE A 1 123 ? -8.639 5.646 -4.543 1.00 97.87 ? 123 PHE A CB 123 PHE A CB 1 ATOM 899 C CG . PHE A 1 123 ? -9.704 5.156 -3.600 1.00 97.87 ? 123 PHE A CG 123 PHE A CG 1 ATOM 900 C CD1 . PHE A 1 123 ? -9.443 5.026 -2.241 1.00 97.87 ? 123 PHE A CD1 123 PHE A CD1 1 ATOM 901 C CD2 . PHE A 1 123 ? -10.968 4.826 -4.072 1.00 97.87 ? 123 PHE A CD2 123 PHE A CD2 1 ATOM 902 C CE1 . PHE A 1 123 ? -10.427 4.573 -1.366 1.00 97.87 ? 123 PHE A CE1 123 PHE A CE1 1 ATOM 903 C CE2 . PHE A 1 123 ? -11.957 4.373 -3.204 1.00 97.87 ? 123 PHE A CE2 123 PHE A CE2 1 ATOM 904 C CZ . PHE A 1 123 ? -11.684 4.246 -1.851 1.00 97.87 ? 123 PHE A CZ 123 PHE A CZ 1 ATOM 905 N N . GLN A 1 124 ? -7.866 8.382 -3.432 1.00 97.95 ? 124 GLN A N 124 GLN A N 1 ATOM 906 C CA . GLN A 1 124 ? -7.766 9.305 -2.306 1.00 97.95 ? 124 GLN A CA 124 GLN A CA 1 ATOM 907 C C . GLN A 1 124 ? -6.433 10.047 -2.321 1.00 97.95 ? 124 GLN A C 124 GLN A C 1 ATOM 908 O O . GLN A 1 124 ? -5.385 9.447 -2.574 1.00 97.95 ? 124 GLN A O 124 GLN A O 1 ATOM 909 C CB . GLN A 1 124 ? -7.937 8.559 -0.982 1.00 97.95 ? 124 GLN A CB 124 GLN A CB 1 ATOM 910 C CG . GLN A 1 124 ? -7.947 9.469 0.239 1.00 97.95 ? 124 GLN A CG 124 GLN A CG 1 ATOM 911 C CD . GLN A 1 124 ? -8.286 8.729 1.520 1.00 97.95 ? 124 GLN A CD 124 GLN A CD 1 ATOM 912 O OE1 . GLN A 1 124 ? -8.244 7.495 1.569 1.00 97.95 ? 124 GLN A OE1 124 GLN A OE1 1 ATOM 913 N NE2 . GLN A 1 124 ? -8.625 9.476 2.564 1.00 97.95 ? 124 GLN A NE2 124 GLN A NE2 1 ATOM 914 N N . ARG A 1 125 ? -6.516 11.338 -2.114 1.00 97.65 ? 125 ARG A N 125 ARG A N 1 ATOM 915 C CA . ARG A 1 125 ? -5.305 12.118 -1.881 1.00 97.65 ? 125 ARG A CA 125 ARG A CA 1 ATOM 916 C C . ARG A 1 125 ? -5.027 12.265 -0.389 1.00 97.65 ? 125 ARG A C 125 ARG A C 1 ATOM 917 O O . ARG A 1 125 ? -5.903 12.679 0.374 1.00 97.65 ? 125 ARG A O 125 ARG A O 1 ATOM 918 C CB . ARG A 1 125 ? -5.420 13.499 -2.531 1.00 97.65 ? 125 ARG A CB 125 ARG A CB 1 ATOM 919 C CG . ARG A 1 125 ? -4.225 14.403 -2.273 1.00 97.65 ? 125 ARG A CG 125 ARG A CG 1 ATOM 920 C CD . ARG A 1 125 ? -3.149 14.231 -3.335 1.00 97.65 ? 125 ARG A CD 125 ARG A CD 1 ATOM 921 N NE . ARG A 1 125 ? -2.082 15.217 -3.186 1.00 97.65 ? 125 ARG A NE 125 ARG A NE 1 ATOM 922 C CZ . ARG A 1 125 ? -0.897 15.148 -3.786 1.00 97.65 ? 125 ARG A CZ 125 ARG A CZ 1 ATOM 923 N NH1 . ARG A 1 125 ? -0.602 14.134 -4.590 1.00 97.65 ? 125 ARG A NH1 125 ARG A NH1 1 ATOM 924 N NH2 . ARG A 1 125 ? 0.001 16.101 -3.580 1.00 97.65 ? 125 ARG A NH2 125 ARG A NH2 1 ATOM 925 N N . ILE A 1 126 ? -3.733 11.900 0.046 1.00 96.33 ? 126 ILE A N 126 ILE A N 1 ATOM 926 C CA . ILE A 1 126 ? -3.298 11.984 1.436 1.00 96.33 ? 126 ILE A CA 126 ILE A CA 1 ATOM 927 C C . ILE A 1 126 ? -2.439 13.231 1.633 1.00 96.33 ? 126 ILE A C 126 ILE A C 1 ATOM 928 O O . ILE A 1 126 ? -1.505 13.476 0.866 1.00 96.33 ? 126 ILE A O 126 ILE A O 1 ATOM 929 C CB . ILE A 1 126 ? -2.516 10.721 1.861 1.00 96.33 ? 126 ILE A CB 126 ILE A CB 1 ATOM 930 C CG1 . ILE A 1 126 ? -3.318 9.458 1.526 1.00 96.33 ? 126 ILE A CG1 126 ILE A CG1 1 ATOM 931 C CG2 . ILE A 1 126 ? -2.175 10.773 3.353 1.00 96.33 ? 126 ILE A CG2 126 ILE A CG2 1 ATOM 932 C CD1 . ILE A 1 126 ? -4.615 9.322 2.311 1.00 96.33 ? 126 ILE A CD1 126 ILE A CD1 1 ATOM 933 N N . GLU A 1 127 ? -2.842 13.980 2.676 1.00 90.87 ? 127 GLU A N 127 GLU A N 1 ATOM 934 C CA . GLU A 1 127 ? -2.077 15.187 2.975 1.00 90.87 ? 127 GLU A CA 127 GLU A CA 1 ATOM 935 C C . GLU A 1 127 ? -1.175 14.982 4.189 1.00 90.87 ? 127 GLU A C 127 GLU A C 1 ATOM 936 O O . GLU A 1 127 ? -1.522 14.236 5.107 1.00 90.87 ? 127 GLU A O 127 GLU A O 1 ATOM 937 C CB . GLU A 1 127 ? -3.015 16.374 3.211 1.00 90.87 ? 127 GLU A CB 127 GLU A CB 1 ATOM 938 C CG . GLU A 1 127 ? -3.917 16.690 2.026 1.00 90.87 ? 127 GLU A CG 127 GLU A CG 1 ATOM 939 C CD . GLU A 1 127 ? -3.187 17.377 0.883 1.00 90.87 ? 127 GLU A CD 127 GLU A CD 1 ATOM 940 O OE1 . GLU A 1 127 ? -3.614 17.232 -0.285 1.00 90.87 ? 127 GLU A OE1 127 GLU A OE1 1 ATOM 941 O OE2 . GLU A 1 127 ? -2.178 18.066 1.158 1.00 90.87 ? 127 GLU A OE2 127 GLU A OE2 1 HETATM 942 CU CU ? CU B 2 . ? 6.921 -3.537 1.173 1.00 23.77 ? 1 CU B CU ? ? ? ? 1 HETATM 943 CU CU ? CU C 2 . ? 8.172 -0.281 2.011 1.00 26.04 ? 1 CU C CU ? ? ? ? 1 HETATM 944 ZN ZN ? ZN D 3 . ? 5.256 2.363 11.792 1.00 17.51 ? 1 ZN D ZN ? ? ? ? 1 HETATM 945 ZN ZN ? ZN E 3 . ? 3.927 -14.323 -2.571 1.00 23.87 ? 1 ZN E ZN ? ? ? ? 1 HETATM 946 ZN ZN ? ZN F 3 . ? 5.415 -11.991 10.073 1.00 50.97 ? 1 ZN F ZN ? ? ? ? 1 HETATM 947 ZN ZN ? ZN G 3 . ? 3.134 -9.014 13.417 1.00 75.04 ? 1 ZN G ZN ? ? ? ? 1 HETATM 948 ZN ZN ? ZN H 3 . ? -16.907 3.263 6.691 1.00 101.32 ? 1 ZN H ZN ? ? ? ? 1 HETATM 949 CU CU ? CU I 2 . ? 14.075 9.226 7.369 1.00 32.04 ? 1 CU I CU ? ? ? ? 1 HETATM 950 ZN ZN ? ZN J 3 . ? -14.399 -9.185 3.173 1.00 54.31 ? 1 ZN J ZN ? ? ? ? 1 HETATM 951 CU CU ? CU K 2 . ? 10.339 2.469 2.296 1.00 48.21 ? 1 CU K CU ? ? ? ? 1 HETATM 952 ZN ZN ? ZN L 3 . ? -0.997 -16.339 1.739 1.00 66.97 ? 1 ZN L ZN ? ? ? ? 1 HETATM 953 ZN ZN ? ZN M 3 . ? 15.255 -10.919 -2.651 1.00 80.01 ? 1 ZN M ZN ? ? ? ? 1 HETATM 954 ZN ZN ? ZN N 3 . ? 10.549 -16.956 -4.646 0.81 107.59 ? 1 ZN N ZN ? ? ? ? 1 HETATM 955 ZN ZN ? ZN O 3 . ? -2.573 4.438 9.055 1.00 58.54 ? 1 ZN O ZN ? ? ? ? 1 HETATM 956 ZN ZN ? ZN P 3 . ? 9.507 -12.731 -13.556 0.66 101.66 ? 1 ZN P ZN ? ? ? ? 1 HETATM 957 ZN ZN ? ZN Q 3 . ? 3.353 -18.449 2.746 1.00 71.19 ? 1 ZN Q ZN ? ? ? ? 1 HETATM 958 ZN ZN ? ZN R 3 . ? 6.737 -17.249 -6.116 1.00 97.36 ? 1 ZN R ZN ? ? ? ? 1 # _pdbx_seq_map_depositor_info.entity_id 1 _pdbx_seq_map_depositor_info.auth_asym_id A _pdbx_seq_map_depositor_info.one_letter_code ;SEKVIDMYKSENCGCCSLWGKAMEKDGFEVRTHVMNDQALSALKEKHAIPAGLRSCHTAVAGNLIIEGHVPAATIHKAMQ SGSGIYGLATPGMPAGSPGMEMGARKEAYDVIAFSPDGSKKVFQRIE ; _pdbx_seq_map_depositor_info.one_letter_code_mod ;SEKVIDMYKSENCGCCSLWGKAMEKDGFEVRTHVMNDQALSALKEKHAIPAGLRSCHTAVAGNLIIEGHVPAATIHKAMQ SGSGIYGLATPGMPAGSPGMEMGARKEAYDVIAFSPDGSKKVFQRIE ; # loop_ _atom_type.symbol C N O S CU ZN # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id HIS _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 69 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi -85.74 _pdbx_validate_torsion.psi 48.73 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 C A SER 1 ? ? N A GLU 2 ? ? 1.493 1.336 0.157 0.023 Y 2 1 CD A PRO 50 ? ? N A PRO 50 ? ? 1.561 1.474 0.087 0.014 N 3 1 CD A PRO 98 ? ? N A PRO 98 ? ? 1.560 1.474 0.086 0.014 N # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 NZ _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 LYS _pdbx_validate_close_contact.auth_seq_id_1 44 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 SER _pdbx_validate_close_contact.auth_seq_id_2 55 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.08 # _atom_sites.entry_id SILGSANSSIGNALPEPTIDE_E0805_UNRELAXED_RANK_1_MODEL_3 _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _struct_asym.id _struct_asym.pdbx_PDB_id _struct_asym.pdbx_alt_id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_type _struct_asym.pdbx_order _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A A A N ATOMP 1 N 1 ? B ? ? N ? ? N 2 ? C ? ? N ? ? N 2 ? D ? ? N ? ? N 3 ? E ? ? N ? ? N 3 ? F ? ? N ? ? N 3 ? G ? ? N ? ? N 3 ? H ? ? N ? ? N 3 ? I ? ? N ? ? N 2 ? J ? ? N ? ? N 3 ? K ? ? N ? ? N 2 ? L ? ? N ? ? N 3 ? M ? ? N ? ? N 3 ? N ? ? N ? ? N 3 ? O ? ? N ? ? N 3 ? P ? ? N ? ? N 3 ? Q ? ? N ? ? N 3 ? R ? ? N ? ? N 3 ? # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 CU NON-POLYMER ? 'COPPER (II) ION' ? Cu 63.546 ZN NON-POLYMER ? 'ZINC ION' ? Zn 65.409 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 1 SER SER A . n A 1 2 GLU 2 2 2 GLU GLU A . n A 1 3 LYS 3 3 3 LYS LYS A . n A 1 4 VAL 4 4 4 VAL VAL A . n A 1 5 ILE 5 5 5 ILE ILE A . n A 1 6 ASP 6 6 6 ASP ASP A . n A 1 7 MET 7 7 7 MET MET A . n A 1 8 TYR 8 8 8 TYR TYR A . n A 1 9 LYS 9 9 9 LYS LYS A . n A 1 10 SER 10 10 10 SER SER A . n A 1 11 GLU 11 11 11 GLU GLU A . n A 1 12 ASN 12 12 12 ASN ASN A . n A 1 13 CYS 13 13 13 CYS CYS A . n A 1 14 GLY 14 14 14 GLY GLY A . n A 1 15 CYS 15 15 15 CYS CYS A . n A 1 16 CYS 16 16 16 CYS CYS A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 LEU 18 18 18 LEU LEU A . n A 1 19 TRP 19 19 19 TRP TRP A . n A 1 20 GLY 20 20 20 GLY GLY A . n A 1 21 LYS 21 21 21 LYS LYS A . n A 1 22 ALA 22 22 22 ALA ALA A . n A 1 23 MET 23 23 23 MET MET A . n A 1 24 GLU 24 24 24 GLU GLU A . n A 1 25 LYS 25 25 25 LYS LYS A . n A 1 26 ASP 26 26 26 ASP ASP A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 PHE 28 28 28 PHE PHE A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 ARG 31 31 31 ARG ARG A . n A 1 32 THR 32 32 32 THR THR A . n A 1 33 HIS 33 33 33 HIS HIS A . n A 1 34 VAL 34 34 34 VAL VAL A . n A 1 35 MET 35 35 35 MET MET A . n A 1 36 ASN 36 36 36 ASN ASN A . n A 1 37 ASP 37 37 37 ASP ASP A . n A 1 38 GLN 38 38 38 GLN GLN A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 LEU 40 40 40 LEU LEU A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 LYS 44 44 44 LYS LYS A . n A 1 45 GLU 45 45 45 GLU GLU A . n A 1 46 LYS 46 46 46 LYS LYS A . n A 1 47 HIS 47 47 47 HIS HIS A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 ILE 49 49 49 ILE ILE A . n A 1 50 PRO 50 50 50 PRO PRO A . n A 1 51 ALA 51 51 51 ALA ALA A . n A 1 52 GLY 52 52 52 GLY GLY A . n A 1 53 LEU 53 53 53 LEU LEU A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 SER 55 55 55 SER SER A . n A 1 56 CYS 56 56 56 CYS CYS A . n A 1 57 HIS 57 57 57 HIS HIS A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 ALA 59 59 59 ALA ALA A . n A 1 60 VAL 60 60 60 VAL VAL A . n A 1 61 ALA 61 61 61 ALA ALA A . n A 1 62 GLY 62 62 62 GLY GLY A . n A 1 63 ASN 63 63 63 ASN ASN A . n A 1 64 LEU 64 64 64 LEU LEU A . n A 1 65 ILE 65 65 65 ILE ILE A . n A 1 66 ILE 66 66 66 ILE ILE A . n A 1 67 GLU 67 67 67 GLU GLU A . n A 1 68 GLY 68 68 68 GLY GLY A . n A 1 69 HIS 69 69 69 HIS HIS A . n A 1 70 VAL 70 70 70 VAL VAL A . n A 1 71 PRO 71 71 71 PRO PRO A . n A 1 72 ALA 72 72 72 ALA ALA A . n A 1 73 ALA 73 73 73 ALA ALA A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 ILE 75 75 75 ILE ILE A . n A 1 76 HIS 76 76 76 HIS HIS A . n A 1 77 LYS 77 77 77 LYS LYS A . n A 1 78 ALA 78 78 78 ALA ALA A . n A 1 79 MET 79 79 79 MET MET A . n A 1 80 GLN 80 80 80 GLN GLN A . n A 1 81 SER 81 81 81 SER SER A . n A 1 82 GLY 82 82 82 GLY GLY A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 GLY 84 84 84 GLY GLY A . n A 1 85 ILE 85 85 85 ILE ILE A . n A 1 86 TYR 86 86 86 TYR TYR A . n A 1 87 GLY 87 87 87 GLY GLY A . n A 1 88 LEU 88 88 88 LEU LEU A . n A 1 89 ALA 89 89 89 ALA ALA A . n A 1 90 THR 90 90 90 THR THR A . n A 1 91 PRO 91 91 91 PRO PRO A . n A 1 92 GLY 92 92 92 GLY GLY A . n A 1 93 MET 93 93 93 MET MET A . n A 1 94 PRO 94 94 94 PRO PRO A . n A 1 95 ALA 95 95 95 ALA ALA A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 SER 97 97 97 SER SER A . n A 1 98 PRO 98 98 98 PRO PRO A . n A 1 99 GLY 99 99 99 GLY GLY A . n A 1 100 MET 100 100 100 MET MET A . n A 1 101 GLU 101 101 101 GLU GLU A . n A 1 102 MET 102 102 102 MET MET A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 ARG 105 105 105 ARG ARG A . n A 1 106 LYS 106 106 106 LYS LYS A . n A 1 107 GLU 107 107 107 GLU GLU A . n A 1 108 ALA 108 108 108 ALA ALA A . n A 1 109 TYR 109 109 109 TYR TYR A . n A 1 110 ASP 110 110 110 ASP ASP A . n A 1 111 VAL 111 111 111 VAL VAL A . n A 1 112 ILE 112 112 112 ILE ILE A . n A 1 113 ALA 113 113 113 ALA ALA A . n A 1 114 PHE 114 114 114 PHE PHE A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 PRO 116 116 116 PRO PRO A . n A 1 117 ASP 117 117 117 ASP ASP A . n A 1 118 GLY 118 118 118 GLY GLY A . n A 1 119 SER 119 119 119 SER SER A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 LYS 121 121 121 LYS LYS A . n A 1 122 VAL 122 122 122 VAL VAL A . n A 1 123 PHE 123 123 123 PHE PHE A . n A 1 124 GLN 124 124 124 GLN GLN A . n A 1 125 ARG 125 125 125 ARG ARG A . n A 1 126 ILE 126 126 126 ILE ILE A . n A 1 127 GLU 127 127 127 GLU GLU A . n # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man ? 13542.573 1 ? ? ? ? 2 non-polymer ? 'COPPER (II) ION' 63.546 4 ? ? ? ? 3 non-polymer ? 'ZINC ION' 65.409 13 ? ? ? ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 GLU n 1 3 LYS n 1 4 VAL n 1 5 ILE n 1 6 ASP n 1 7 MET n 1 8 TYR n 1 9 LYS n 1 10 SER n 1 11 GLU n 1 12 ASN n 1 13 CYS n 1 14 GLY n 1 15 CYS n 1 16 CYS n 1 17 SER n 1 18 LEU n 1 19 TRP n 1 20 GLY n 1 21 LYS n 1 22 ALA n 1 23 MET n 1 24 GLU n 1 25 LYS n 1 26 ASP n 1 27 GLY n 1 28 PHE n 1 29 GLU n 1 30 VAL n 1 31 ARG n 1 32 THR n 1 33 HIS n 1 34 VAL n 1 35 MET n 1 36 ASN n 1 37 ASP n 1 38 GLN n 1 39 ALA n 1 40 LEU n 1 41 SER n 1 42 ALA n 1 43 LEU n 1 44 LYS n 1 45 GLU n 1 46 LYS n 1 47 HIS n 1 48 ALA n 1 49 ILE n 1 50 PRO n 1 51 ALA n 1 52 GLY n 1 53 LEU n 1 54 ARG n 1 55 SER n 1 56 CYS n 1 57 HIS n 1 58 THR n 1 59 ALA n 1 60 VAL n 1 61 ALA n 1 62 GLY n 1 63 ASN n 1 64 LEU n 1 65 ILE n 1 66 ILE n 1 67 GLU n 1 68 GLY n 1 69 HIS n 1 70 VAL n 1 71 PRO n 1 72 ALA n 1 73 ALA n 1 74 THR n 1 75 ILE n 1 76 HIS n 1 77 LYS n 1 78 ALA n 1 79 MET n 1 80 GLN n 1 81 SER n 1 82 GLY n 1 83 SER n 1 84 GLY n 1 85 ILE n 1 86 TYR n 1 87 GLY n 1 88 LEU n 1 89 ALA n 1 90 THR n 1 91 PRO n 1 92 GLY n 1 93 MET n 1 94 PRO n 1 95 ALA n 1 96 GLY n 1 97 SER n 1 98 PRO n 1 99 GLY n 1 100 MET n 1 101 GLU n 1 102 MET n 1 103 GLY n 1 104 ALA n 1 105 ARG n 1 106 LYS n 1 107 GLU n 1 108 ALA n 1 109 TYR n 1 110 ASP n 1 111 VAL n 1 112 ILE n 1 113 ALA n 1 114 PHE n 1 115 SER n 1 116 PRO n 1 117 ASP n 1 118 GLY n 1 119 SER n 1 120 LYS n 1 121 LYS n 1 122 VAL n 1 123 PHE n 1 124 GLN n 1 125 ARG n 1 126 ILE n 1 127 GLU n # _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 ;SEKVIDMYKSENCGCCSLWGKAMEKDGFEVRTHVMNDQALSALKEKHAIPAGLRSCHTAVAGNLIIEGHVPAATIHKAMQ SGSGIYGLATPGMPAGSPGMEMGARKEAYDVIAFSPDGSKKVFQRIE ; _entity_poly.pdbx_seq_one_letter_code_can ;SEKVIDMYKSENCGCCSLWGKAMEKDGFEVRTHVMNDQALSALKEKHAIPAGLRSCHTAVAGNLIIEGHVPAATIHKAMQ SGSGIYGLATPGMPAGSPGMEMGARKEAYDVIAFSPDGSKKVFQRIE ; _entity_poly.pdbx_sequence_evidence_code 'derived from coordinates' _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # _pdbx_database_status.entry_id SILGSANSSIGNALPEPTIDE_E0805_UNRELAXED_RANK_1_MODEL_3 _pdbx_database_status.ndb_tid ? _pdbx_database_status.status_code . _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.status_coordinates_in_NDB ? _pdbx_database_status.recvd_deposit_form ? _pdbx_database_status.date_deposition_form ? _pdbx_database_status.recvd_coordinates ? _pdbx_database_status.date_coordinates ? _pdbx_database_status.recvd_struct_fact ? _pdbx_database_status.date_struct_fact ? _pdbx_database_status.recvd_internal_approval ? _pdbx_database_status.recvd_nmr_constraints ? _pdbx_database_status.date_nmr_constraints ? _pdbx_database_status.recvd_chemical_shifts ? _pdbx_database_status.date_chemical_shifts ? _pdbx_database_status.recvd_manuscript ? _pdbx_database_status.date_manuscript ? _pdbx_database_status.name_depositor ? _pdbx_database_status.pdbx_annotator ? _pdbx_database_status.recvd_author_approval ? _pdbx_database_status.date_author_approval ? _pdbx_database_status.recvd_initial_deposition_date ? _pdbx_database_status.date_submitted ? _pdbx_database_status.author_approval_type ? _pdbx_database_status.author_release_status_code ? _pdbx_database_status.auth_req_rel_date ? _pdbx_database_status.date_revised ? _pdbx_database_status.revision_id ? _pdbx_database_status.replaced_entry_id ? _pdbx_database_status.revision_description ? _pdbx_database_status.date_of_NDB_release ? _pdbx_database_status.date_released_to_PDB ? _pdbx_database_status.date_of_PDB_release ? _pdbx_database_status.date_of_sf_release ? _pdbx_database_status.date_of_mr_release ? _pdbx_database_status.date_of_cs_release ? _pdbx_database_status.date_hold_coordinates ? _pdbx_database_status.date_hold_struct_fact ? _pdbx_database_status.hold_for_publication ? _pdbx_database_status.date_hold_nmr_constraints ? _pdbx_database_status.date_hold_chemical_shifts ? _pdbx_database_status.dep_release_code_coordinates ? _pdbx_database_status.dep_release_code_struct_fact ? _pdbx_database_status.dep_release_code_nmr_constraints ? _pdbx_database_status.dep_release_code_chemical_shifts ? _pdbx_database_status.dep_release_code_sequence ? _pdbx_database_status.pdb_date_of_author_approval ? _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.skip_PDB_REMARK ? _pdbx_database_status.SG_entry ? _pdbx_database_status.date_begin_deposition ? _pdbx_database_status.date_author_release_request ? _pdbx_database_status.date_begin_release_preparation ? _pdbx_database_status.date_begin_processing ? _pdbx_database_status.date_end_processing ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.title_suppression ? _pdbx_database_status.methods_development_category ? # If you find results from this site helpful for your research, please cite one of our papers:
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