################################################### # # # Converted from PDB format to CIF format by # # pdb2cif version 2.3.7 07 Mar 1999 # # by # # P.E. Bourne, H.J. Bernstein and F.C. Bernstein # # # # http://www.bernstein-plus-sons.com/software # # /pdb2cif # # *** See the remarks at the end of this *** # # *** file for information on conversion *** # # *** of this entry and on the program *** # # *** pdb2cif *** # # Please report problems to: # # pdb2cif@bernstein-plus-sons.com # ################################################### data_1RRB _entry.id 1RRB ################## # # # STRUCT # # # ################## loop_ _struct.entry_id _struct.title 1RRB ; THE RAS-BINDING DOMAIN OF RAF-1 FROM RAT, NMR, 1 STRUCTURE Compound:: MOL_ID: 1; MOLECULE: RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE; CHAIN: NULL; FRAGMENT: RAS-BINDING DOMAIN, RESIDUES 56-131; SYNONYM: RAF-1 RBD; EC: 2.7.1.-; ENGINEERED: YES Source:: MOL_ID: 1; ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; ORGANISM_COMMON: RAT; EXPRESSION_SYSTEM: ESCHERICHIA COLI; EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); EXPRESSION_SYSTEM_PLASMID: PET-RID ; _exptl.entry_id 1RRB _exptl.method 'nmr, 1 structure' #################### # # # AUDIT_AUTHOR # # # #################### loop_ _audit_author.name 'Terada, T.' 'Ito, Y.' 'Shirouzu, M.' 'Tateno, M.' 'Hashimoto, K.' 'Kigawa, T.' 'Ebisuzaki, T.' 'Takio, K.' 'Shibata, T.' 'Yokoyama, S.' 'Smith, B.O.' 'Laue, E.D.' 'Cooper, J.A.' loop_ _citation.id _citation.coordinate_linkage _citation.title _citation.country _citation.journal_abbrev _citation.journal_volume _citation.journal_issue _citation.page_first _citation.year _citation.journal_id_ASTM _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_title _citation.book_publisher _citation.book_id_ISBN _citation.details primary yes ; NUCLEAR MAGNETIC RESONANCE AND MOLECULAR DYNAMICS STUDIES ON THE INTERACTIONS OF THE RAS-BINDING DOMAIN OF RAF-1 WITH WILD-TYPE AND MUTANT RAS PROTEINS ; UK 'J.MOL.BIOL. ' 286 ? 219 1999 'JMOBAK ' '0022-2836 ' 0070 ? ? ? ? loop_ _citation_author.citation_id _citation_author.name primary 'Terada, T.' primary 'Ito, Y.' primary 'Shirouzu, M.' primary 'Tateno, M.' primary 'Hashimoto, K.' primary 'Kigawa, T.' primary 'Ebisuzaki, T.' primary 'Takio, K.' primary 'Shibata, T.' primary 'Yokoyama, S.' primary 'Smith, B.O.' primary 'Laue, E.D.' primary 'Cooper, J.A.' loop_ _database_PDB_remark.id _database_PDB_remark.text 3 ; REFINEMENT. PROGRAM : X-PLOR 3.1 AUTHORS : BRUNGER OTHER REFINEMENT REMARKS: SIMULATED ANNEALING REFINEMENT FOR NMR STRUCTURE DETERMINATION ; 4 ; 1RRB COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 ; 210 ; EXPERIMENTAL DETAILS EXPERIMENT TYPE : NMR TEMPERATURE (KELVIN) : 303 PH : 6.5 IONIC STRENGTH : 5 MM MGCL2 PRESSURE : 1 ATM SAMPLE CONTENTS : 20 MM SODIUM PHOSPHATE BUFFER (PH 6.5) NMR EXPERIMENTS CONDUCTED : 1H-1H NOESY, 1H-15N HSQC, 3D 15N-EDITED NOESY, 3D 15N-EDITED TOCSY, HMQC-J, 3D HNCA, 3D HCCH-TOCSY SPECTROMETER FIELD STRENGTH : 600 MHZ SPECTROMETER MODEL : AMX600 SPECTROMETER MANUFACTURER : BRUKER STRUCTURE DETERMINATION. SOFTWARE USED : FELIX 2.3, AZARA 1.0, X-PLOR 3.1 METHOD USED : SIMULATED ANNEALING CONFORMERS, NUMBER CALCULATED : 80 CONFORMERS, NUMBER SUBMITTED : 1 CONFORMERS, SELECTION CRITERIA : CLOSEST TO THE AVERAGE OF 20 LEAST ENERGY STRUCTURES BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C/15N-LABELED RAF-1 RBD ; 215 ; NMR STUDY THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON THESE RECORDS ARE MEANINGLESS. ; 650 ; HELIX DETERMINATION METHOD: AUTHOR-DETERMINED ; 700 ; SHEET DETERMINATION METHOD: AUTHOR-DETERMINED ; 999 ; SEQUENCE THE MATERIAL OF THE PRESENT STUDY IS A FRAGMENT CONSISTING OF RESIDUES 51-131 OF THE RAT RAF-1 WITH 13 AND 13 VECTOR- DERIVED RESIDUES AT THE N- AND C-TERMINI, RESPECTIVELY. RESIDUES 51-55 OF THE RAT RAF-1 AND THE VECTOR-DERIVED RESIDUES ARE UNSTRUCTURED, AND ARE THEREFORE NOT IN THE ATOM LIST. 1RRB SWS P11345 1 - 55 NOT IN ATOMS LIST 1RRB SWS P11345 132 - 648 NOT IN ATOMS LIST ; _cell.entry_id 1RRB _cell.length_a 1.000 _cell.length_b 1.000 _cell.length_c 1.000 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.volume 1.0 _cell.details ? _cell.Z_PDB 1 _symmetry.entry_id 1RRB _symmetry.space_group_name_H-M 'P 1 ' #################### # # # AUDIT # # # #################### _audit.revision_id 1RRB _audit.creation_date 1998-03-26 _audit.update_record ; 1999-03-30 Converted to mmCIF format by pdb2cif.pl 2.3.7 ; ############################# # # # STRUCT_KEYWORDS # # # ############################# loop_ _struct_keywords.entry_id _struct_keywords.text 1RRB 'RAF-1' 1RRB 'RAS-BINDING DOMAIN' 1RRB 'TRANSFERASE' 1RRB 'SERINE/THREONINE-PROTEIN KINASE' ########################## # # # ENTITY_POLY_SEQ # # # ########################## loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 1 1 ALA 1 2 SER 1 3 MET 1 4 THR 1 5 GLY 1 6 GLY 1 7 GLN 1 8 GLN 1 9 MET 1 10 GLY 1 11 ARG 1 12 GLY 1 13 SER 1 14 SER 1 15 SER 1 16 LYS 1 17 THR 1 18 SER 1 19 ASN 1 20 THR 1 21 ILE 1 22 ARG 1 23 VAL 1 24 PHE 1 25 LEU 1 26 PRO 1 27 ASN 1 28 LYS 1 29 GLN 1 30 ARG 1 31 THR 1 32 VAL 1 33 VAL 1 34 ASN 1 35 VAL 1 36 ARG 1 37 ASN 1 38 GLY 1 39 MET 1 40 SER 1 41 LEU 1 42 HIS 1 43 ASP 1 44 CYS 1 45 LEU 1 46 MET 1 47 LYS 1 48 ALA 1 49 LEU 1 50 LYS 1 51 VAL 1 52 ARG 1 53 GLY 1 54 LEU 1 55 GLN 1 56 PRO 1 57 GLU 1 58 CYS 1 59 CYS 1 60 ALA 1 61 VAL 1 62 PHE 1 63 ARG 1 64 LEU 1 65 LEU 1 66 GLN 1 67 GLU 1 68 HIS 1 69 LYS 1 70 GLY 1 71 LYS 1 72 LYS 1 73 ALA 1 74 ARG 1 75 LEU 1 76 ASP 1 77 TRP 1 78 ASN 1 79 THR 1 80 ASP 1 81 ALA 1 82 ALA 1 83 SER 1 84 LEU 1 85 ILE 1 86 GLY 1 87 GLU 1 88 GLU 1 89 LEU 1 90 GLN 1 91 VAL 1 92 ASP 1 93 PHE 1 94 LEU 1 95 LYS 1 96 LEU 1 97 ALA 1 98 ALA 1 99 ALA 1 100 LEU 1 101 GLU 1 102 HIS 1 103 HIS 1 104 HIS 1 105 HIS 1 106 HIS 1 107 HIS # *** WARNING *** only 71% homology to chain * loop_ _entity.id _entity.type _entity.details 1 polymer ; Protein chain: * ; loop_ _struct_asym.entity_id _struct_asym.id 1 * loop_ _struct_ref.id _struct_ref.entity_id _struct_ref.biol_id _struct_ref.db_name _struct_ref.db_code _struct_ref.seq_align _struct_ref.seq_dif _struct_ref.details 1 1 * SWS 'P11345 KRAF_RAT' partial no . loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.seq_align_beg _struct_ref_seq.seq_align_end _struct_ref_seq.db_align_beg _struct_ref_seq.db_align_end _struct_ref_seq.details 1 1 19 94 56 131 . #################### # # # CHEM_COMP # # # #################### loop_ _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.formula _chem_comp.name ALA yes 'C3 H7 N1 O2' "Alanine" ARG yes 'C6 H14 N4 O2' "Arginine" ASN yes 'C4 H8 N2 O3' "Asparagine" ASP yes 'C4 H7 N1 O4' "Aspartic acid" CYS yes 'C3 H7 N1 O2 S1' "Cysteine" GLN yes 'C5 H10 N2 O3' "Glutamine" GLU yes 'C5 H9 N1 O4' "Glutamic acid" GLY yes 'C2 H5 N1 O2' "Glycine" HIS yes 'C6 H9 N3 O2' "Histidine" ILE yes 'C6 H13 N1 O2' "Isoleucine" LEU yes 'C6 H13 N1 O2' "Leucine" LYS yes 'C6 H14 N2 O2' "Lysine" MET yes 'C5 H11 N1 O2 S1' "Methionine" PHE yes 'C9 H11 N1 O2' "Phenylalanine" PRO yes 'C5 H9 N1 O2' "Proline" SER yes 'C3 H7 N1 O3' "Serine" THR yes 'C4 H9 N1 O3' "Threonine" TRP yes 'C11 H12 N2 O2' "Tryptophan" VAL yes 'C5 H11 N1 O2' "Valine" ###################### # # # ATOM_SITES # # # ###################### loop_ _database_pdb_matrix.entry_id _database_pdb_matrix.origx[1][1] _database_pdb_matrix.origx[1][2] _database_pdb_matrix.origx[1][3] _database_pdb_matrix.origx_vector[1] _database_pdb_matrix.origx[2][1] _database_pdb_matrix.origx[2][2] _database_pdb_matrix.origx[2][3] _database_pdb_matrix.origx_vector[2] _database_pdb_matrix.origx[3][1] _database_pdb_matrix.origx[3][2] _database_pdb_matrix.origx[3][3] _database_pdb_matrix.origx_vector[3] 1RRB 1.000000 0.000000 0.000000 0.00000 0.000000 1.000000 0.000000 0.00000 0.000000 0.000000 1.000000 0.00000 loop_ _atom_sites.entry_id _atom_sites.cartn_transform_axes _atom_sites.fract_transf_matrix[1][1] _atom_sites.fract_transf_matrix[1][2] _atom_sites.fract_transf_matrix[1][3] _atom_sites.fract_transf_vector[1] _atom_sites.fract_transf_matrix[2][1] _atom_sites.fract_transf_matrix[2][2] _atom_sites.fract_transf_matrix[2][3] _atom_sites.fract_transf_vector[2] _atom_sites.fract_transf_matrix[3][1] _atom_sites.fract_transf_matrix[3][2] _atom_sites.fract_transf_matrix[3][3] _atom_sites.fract_transf_vector[3] 1RRB 'See _atom_sites.fract_transf_matrix[i][j]' 1.000000 0.000000 0.000000 0.00000 0.000000 1.000000 0.000000 0.00000 0.000000 0.000000 1.000000 0.00000 #################### # # # ATOM_SITE # # # #################### loop_ _atom_site.label_seq_id _atom_site.auth_asym_id _atom_site.group_PDB _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.auth_seq_id _atom_site.label_alt_id _atom_site.cartn_x _atom_site.cartn_y _atom_site.cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.footnote_id _atom_site.label_entity_id _atom_site.id 19 . ATOM N N ASN * 56 . 55.029 12.248 -8.614 1.00 0.00 . 1 1 19 . ATOM C CA ASN * 56 . 54.874 11.959 -7.159 1.00 0.00 . 1 2 19 . ATOM C C ASN * 56 . 55.001 10.455 -6.902 1.00 0.00 . 1 3 19 . ATOM O O ASN * 56 . 54.015 9.760 -6.738 1.00 0.00 . 1 4 19 . ATOM C CB ASN * 56 . 53.468 12.448 -6.806 1.00 0.00 . 1 5 19 . ATOM C CG ASN * 56 . 53.385 12.725 -5.304 1.00 0.00 . 1 6 19 . ATOM O OD1 ASN * 56 . 53.657 13.823 -4.860 1.00 0.00 . 1 7 19 . ATOM N ND2 ASN * 56 . 53.018 11.768 -4.496 1.00 0.00 . 1 8 19 . ATOM H 1H ASN * 56 . 55.917 11.831 -8.958 1.00 0.00 . 1 9 19 . ATOM H 2H ASN * 56 . 54.230 11.837 -9.137 1.00 0.00 . 1 10 19 . ATOM H 3H ASN * 56 . 55.048 13.278 -8.762 1.00 0.00 . 1 11 19 . ATOM H HA ASN * 56 . 55.608 12.504 -6.586 1.00 0.00 . 1 12 19 . ATOM H 1HB ASN * 56 . 53.256 13.356 -7.353 1.00 0.00 . 1 13 19 . ATOM H 2HB ASN * 56 . 52.747 11.690 -7.071 1.00 0.00 . 1 14 19 . ATOM H 1HD2 ASN * 56 . 52.962 11.935 -3.532 1.00 0.00 . 1 15 19 . ATOM H 2HD2 ASN * 56 . 52.799 10.882 -4.853 1.00 0.00 . 1 16 20 . ATOM N N THR * 57 . 56.208 9.951 -6.867 1.00 0.00 . 1 17 20 . ATOM C CA THR * 57 . 56.411 8.489 -6.622 1.00 0.00 . 1 18 20 . ATOM C C THR * 57 . 57.650 8.263 -5.754 1.00 0.00 . 1 19 20 . ATOM O O THR * 57 . 58.555 9.075 -5.725 1.00 0.00 . 1 20 20 . ATOM C CB THR * 57 . 56.616 7.865 -8.008 1.00 0.00 . 1 21 20 . ATOM O OG1 THR * 57 . 57.343 8.764 -8.840 1.00 0.00 . 1 22 20 . ATOM C CG2 THR * 57 . 55.258 7.554 -8.645 1.00 0.00 . 1 23 20 . ATOM H H THR * 57 . 56.984 10.534 -7.002 1.00 0.00 . 1 24 20 . ATOM H HA THR * 57 . 55.540 8.063 -6.152 1.00 0.00 . 1 25 20 . ATOM H HB THR * 57 . 57.174 6.947 -7.905 1.00 0.00 . 1 26 20 . ATOM H HG1 THR * 57 . 56.757 9.482 -9.091 1.00 0.00 . 1 27 20 . ATOM H 1HG2 THR * 57 . 54.470 8.018 -8.071 1.00 0.00 . 1 28 20 . ATOM H 2HG2 THR * 57 . 55.239 7.935 -9.655 1.00 0.00 . 1 29 20 . ATOM H 3HG2 THR * 57 . 55.108 6.485 -8.662 1.00 0.00 . 1 30 21 . ATOM N N ILE * 58 . 57.702 7.155 -5.060 1.00 0.00 . 1 31 21 . ATOM C CA ILE * 58 . 58.890 6.862 -4.202 1.00 0.00 . 1 32 21 . ATOM C C ILE * 58 . 59.763 5.802 -4.884 1.00 0.00 . 1 33 21 . ATOM O O ILE * 58 . 59.265 4.955 -5.601 1.00 0.00 . 1 34 21 . ATOM C CB ILE * 58 . 58.323 6.363 -2.862 1.00 0.00 . 1 35 21 . ATOM C CG1 ILE * 58 . 59.459 6.260 -1.842 1.00 0.00 . 1 36 21 . ATOM C CG2 ILE * 58 . 57.670 4.990 -3.025 1.00 0.00 . 1 37 21 . ATOM C CD1 ILE * 58 . 59.757 7.645 -1.271 1.00 0.00 . 1 38 21 . ATOM H H ILE * 58 . 56.965 6.510 -5.116 1.00 0.00 . 1 39 21 . ATOM H HA ILE * 58 . 59.461 7.763 -4.042 1.00 0.00 . 1 40 21 . ATOM H HB ILE * 58 . 57.584 7.066 -2.504 1.00 0.00 . 1 41 21 . ATOM H 1HG1 ILE * 58 . 59.166 5.594 -1.043 1.00 0.00 . 1 42 21 . ATOM H 2HG1 ILE * 58 . 60.343 5.874 -2.326 1.00 0.00 . 1 43 21 . ATOM H 1HG2 ILE * 58 . 57.296 4.887 -4.031 1.00 0.00 . 1 44 21 . ATOM H 2HG2 ILE * 58 . 58.406 4.223 -2.834 1.00 0.00 . 1 45 21 . ATOM H 3HG2 ILE * 58 . 56.855 4.895 -2.322 1.00 0.00 . 1 46 21 . ATOM H 1HD1 ILE * 58 . 58.842 8.087 -0.906 1.00 0.00 . 1 47 21 . ATOM H 2HD1 ILE * 58 . 60.463 7.555 -0.458 1.00 0.00 . 1 48 21 . ATOM H 3HD1 ILE * 58 . 60.176 8.271 -2.044 1.00 0.00 . 1 49 22 . ATOM N N ARG * 59 . 61.053 5.851 -4.679 1.00 0.00 . 1 50 22 . ATOM C CA ARG * 59 . 61.952 4.853 -5.338 1.00 0.00 . 1 51 22 . ATOM C C ARG * 59 . 62.448 3.810 -4.334 1.00 0.00 . 1 52 22 . ATOM O O ARG * 59 . 63.437 4.009 -3.655 1.00 0.00 . 1 53 22 . ATOM C CB ARG * 59 . 63.125 5.669 -5.889 1.00 0.00 . 1 54 22 . ATOM C CG ARG * 59 . 62.610 6.696 -6.899 1.00 0.00 . 1 55 22 . ATOM C CD ARG * 59 . 63.651 7.801 -7.091 1.00 0.00 . 1 56 22 . ATOM N NE ARG * 59 . 63.171 8.590 -8.269 1.00 0.00 . 1 57 22 . ATOM C CZ ARG * 59 . 63.982 9.383 -8.942 1.00 0.00 . 1 58 22 . ATOM N NH1 ARG * 59 . 65.246 9.518 -8.609 1.00 0.00 . 1 59 22 . ATOM N NH2 ARG * 59 . 63.518 10.052 -9.962 1.00 0.00 . 1 60 22 . ATOM H H ARG * 59 . 61.429 6.548 -4.102 1.00 0.00 . 1 61 22 . ATOM H HA ARG * 59 . 61.435 4.369 -6.151 1.00 0.00 . 1 62 22 . ATOM H 1HB ARG * 59 . 63.620 6.179 -5.079 1.00 0.00 . 1 63 22 . ATOM H 2HB ARG * 59 . 63.822 5.007 -6.379 1.00 0.00 . 1 64 22 . ATOM H 1HG ARG * 59 . 62.429 6.207 -7.843 1.00 0.00 . 1 65 22 . ATOM H 2HG ARG * 59 . 61.692 7.131 -6.535 1.00 0.00 . 1 66 22 . ATOM H 1HD ARG * 59 . 63.699 8.428 -6.211 1.00 0.00 . 1 67 22 . ATOM H 2HD ARG * 59 . 64.618 7.373 -7.303 1.00 0.00 . 1 68 22 . ATOM H HE ARG * 59 . 62.234 8.517 -8.547 1.00 0.00 . 1 69 22 . ATOM H 1HH1 ARG * 59 . 65.622 9.017 -7.831 1.00 0.00 . 1 70 22 . ATOM H 2HH1 ARG * 59 . 65.836 10.128 -9.139 1.00 0.00 . 1 71 22 . ATOM H 1HH2 ARG * 59 . 62.558 9.959 -10.225 1.00 0.00 . 1 72 22 . ATOM H 2HH2 ARG * 59 . 64.122 10.657 -10.480 1.00 0.00 . 1 73 23 . ATOM N N VAL * 60 . 61.775 2.690 -4.255 1.00 0.00 . 1 74 23 . ATOM C CA VAL * 60 . 62.206 1.612 -3.314 1.00 0.00 . 1 75 23 . ATOM C C VAL * 60 . 63.111 0.624 -4.059 1.00 0.00 . 1 76 23 . ATOM O O VAL * 60 . 62.673 -0.068 -4.958 1.00 0.00 . 1 77 23 . ATOM C CB VAL * 60 . 60.910 0.927 -2.867 1.00 0.00 . 1 78 23 . ATOM C CG1 VAL * 60 . 61.237 -0.204 -1.887 1.00 0.00 . 1 79 23 . ATOM C CG2 VAL * 60 . 60.000 1.949 -2.177 1.00 0.00 . 1 80 23 . ATOM H H VAL * 60 . 60.990 2.553 -4.825 1.00 0.00 . 1 81 23 . ATOM H HA VAL * 60 . 62.719 2.032 -2.464 1.00 0.00 . 1 82 23 . ATOM H HB VAL * 60 . 60.404 0.518 -3.730 1.00 0.00 . 1 83 23 . ATOM H 1HG1 VAL * 60 . 62.181 0.000 -1.405 1.00 0.00 . 1 84 23 . ATOM H 2HG1 VAL * 60 . 60.459 -0.272 -1.140 1.00 0.00 . 1 85 23 . ATOM H 3HG1 VAL * 60 . 61.302 -1.138 -2.425 1.00 0.00 . 1 86 23 . ATOM H 1HG2 VAL * 60 . 60.600 2.752 -1.775 1.00 0.00 . 1 87 23 . ATOM H 2HG2 VAL * 60 . 59.299 2.350 -2.895 1.00 0.00 . 1 88 23 . ATOM H 3HG2 VAL * 60 . 59.458 1.468 -1.376 1.00 0.00 . 1 89 24 . ATOM N N PHE * 61 . 64.369 0.566 -3.702 1.00 0.00 . 1 90 24 . ATOM C CA PHE * 61 . 65.306 -0.366 -4.401 1.00 0.00 . 1 91 24 . ATOM C C PHE * 61 . 65.084 -1.806 -3.934 1.00 0.00 . 1 92 24 . ATOM O O PHE * 61 . 65.093 -2.097 -2.750 1.00 0.00 . 1 93 24 . ATOM C CB PHE * 61 . 66.712 0.101 -4.021 1.00 0.00 . 1 94 24 . ATOM C CG PHE * 61 . 67.128 1.261 -4.896 1.00 0.00 . 1 95 24 . ATOM C CD1 PHE * 61 . 66.362 2.434 -4.928 1.00 0.00 . 1 96 24 . ATOM C CD2 PHE * 61 . 68.288 1.162 -5.673 1.00 0.00 . 1 97 24 . ATOM C CE1 PHE * 61 . 66.758 3.506 -5.737 1.00 0.00 . 1 98 24 . ATOM C CE2 PHE * 61 . 68.684 2.235 -6.481 1.00 0.00 . 1 99 24 . ATOM C CZ PHE * 61 . 67.919 3.406 -6.513 1.00 0.00 . 1 100 24 . ATOM H H PHE * 61 . 64.700 1.142 -2.981 1.00 0.00 . 1 101 24 . ATOM H HA PHE * 61 . 65.172 -0.294 -5.468 1.00 0.00 . 1 102 24 . ATOM H 1HB PHE * 61 . 66.722 0.410 -2.986 1.00 0.00 . 1 103 24 . ATOM H 2HB PHE * 61 . 67.407 -0.716 -4.160 1.00 0.00 . 1 104 24 . ATOM H HD1 PHE * 61 . 65.467 2.513 -4.331 1.00 0.00 . 1 105 24 . ATOM H HD2 PHE * 61 . 68.878 0.258 -5.650 1.00 0.00 . 1 106 24 . ATOM H HE1 PHE * 61 . 66.168 4.410 -5.762 1.00 0.00 . 1 107 24 . ATOM H HE2 PHE * 61 . 69.580 2.158 -7.080 1.00 0.00 . 1 108 24 . ATOM H HZ PHE * 61 . 68.226 4.233 -7.135 1.00 0.00 . 1 109 25 . ATOM N N LEU * 62 . 64.898 -2.706 -4.864 1.00 0.00 . 1 110 25 . ATOM C CA LEU * 62 . 64.686 -4.144 -4.501 1.00 0.00 . 1 111 25 . ATOM C C LEU * 62 . 65.914 -4.671 -3.740 1.00 0.00 . 1 112 25 . ATOM O O LEU * 62 . 66.858 -3.933 -3.532 1.00 0.00 . 1 113 25 . ATOM C CB LEU * 62 . 64.521 -4.874 -5.845 1.00 0.00 . 1 114 25 . ATOM C CG LEU * 62 . 63.095 -5.416 -5.969 1.00 0.00 . 1 115 25 . ATOM C CD1 LEU * 62 . 62.124 -4.253 -6.177 1.00 0.00 . 1 116 25 . ATOM C CD2 LEU * 62 . 63.014 -6.367 -7.165 1.00 0.00 . 1 117 25 . ATOM H H LEU * 62 . 64.909 -2.433 -5.806 1.00 0.00 . 1 118 25 . ATOM H HA LEU * 62 . 63.795 -4.255 -3.903 1.00 0.00 . 1 119 25 . ATOM H 1HB LEU * 62 . 64.714 -4.189 -6.657 1.00 0.00 . 1 120 25 . ATOM H 2HB LEU * 62 . 65.220 -5.695 -5.898 1.00 0.00 . 1 121 25 . ATOM H HG LEU * 62 . 62.832 -5.947 -5.065 1.00 0.00 . 1 122 25 . ATOM H 1HD1 LEU * 62 . 62.638 -3.438 -6.665 1.00 0.00 . 1 123 25 . ATOM H 2HD1 LEU * 62 . 61.299 -4.578 -6.793 1.00 0.00 . 1 124 25 . ATOM H 3HD1 LEU * 62 . 61.749 -3.920 -5.220 1.00 0.00 . 1 125 25 . ATOM H 1HD2 LEU * 62 . 63.677 -6.022 -7.945 1.00 0.00 . 1 126 25 . ATOM H 2HD2 LEU * 62 . 63.307 -7.359 -6.856 1.00 0.00 . 1 127 25 . ATOM H 3HD2 LEU * 62 . 62.001 -6.391 -7.538 1.00 0.00 . 1 128 26 . ATOM N N PRO * 63 . 65.881 -5.928 -3.342 1.00 0.00 . 1 129 26 . ATOM C CA PRO * 63 . 67.035 -6.502 -2.603 1.00 0.00 . 1 130 26 . ATOM C C PRO * 63 . 68.258 -6.589 -3.517 1.00 0.00 . 1 131 26 . ATOM O O PRO * 63 . 68.214 -6.171 -4.656 1.00 0.00 . 1 132 26 . ATOM C CB PRO * 63 . 66.545 -7.886 -2.180 1.00 0.00 . 1 133 26 . ATOM C CG PRO * 63 . 65.470 -8.224 -3.158 1.00 0.00 . 1 134 26 . ATOM C CD PRO * 63 . 64.809 -6.924 -3.530 1.00 0.00 . 1 135 26 . ATOM H HA PRO * 63 . 67.257 -5.909 -1.732 1.00 0.00 . 1 136 26 . ATOM H 1HB PRO * 63 . 67.353 -8.603 -2.239 1.00 0.00 . 1 137 26 . ATOM H 2HB PRO * 63 . 66.140 -7.854 -1.181 1.00 0.00 . 1 138 26 . ATOM H 1HG PRO * 63 . 65.901 -8.690 -4.034 1.00 0.00 . 1 139 26 . ATOM H 2HG PRO * 63 . 64.747 -8.883 -2.703 1.00 0.00 . 1 140 26 . ATOM H 1HD PRO * 63 . 64.481 -6.955 -4.558 1.00 0.00 . 1 141 26 . ATOM H 2HD PRO * 63 . 63.983 -6.712 -2.870 1.00 0.00 . 1 142 27 . ATOM N N ASN * 64 . 69.350 -7.118 -3.018 1.00 0.00 . 1 143 27 . ATOM C CA ASN * 64 . 70.602 -7.230 -3.838 1.00 0.00 . 1 144 27 . ATOM C C ASN * 64 . 71.039 -5.840 -4.338 1.00 0.00 . 1 145 27 . ATOM O O ASN * 64 . 71.849 -5.184 -3.709 1.00 0.00 . 1 146 27 . ATOM C CB ASN * 64 . 70.263 -8.179 -5.002 1.00 0.00 . 1 147 27 . ATOM C CG ASN * 64 . 71.479 -8.325 -5.922 1.00 0.00 . 1 148 27 . ATOM O OD1 ASN * 64 . 72.601 -8.384 -5.460 1.00 0.00 . 1 149 27 . ATOM N ND2 ASN * 64 . 71.301 -8.386 -7.213 1.00 0.00 . 1 150 27 . ATOM H H ASN * 64 . 69.351 -7.437 -2.091 1.00 0.00 . 1 151 27 . ATOM H HA ASN * 64 . 71.389 -7.663 -3.239 1.00 0.00 . 1 152 27 . ATOM H 1HB ASN * 64 . 69.997 -9.148 -4.605 1.00 0.00 . 1 153 27 . ATOM H 2HB ASN * 64 . 69.433 -7.786 -5.565 1.00 0.00 . 1 154 27 . ATOM H 1HD2 ASN * 64 . 72.072 -8.480 -7.810 1.00 0.00 . 1 155 27 . ATOM H 2HD2 ASN * 64 . 70.396 -8.339 -7.586 1.00 0.00 . 1 156 28 . ATOM N N LYS * 65 . 70.513 -5.381 -5.451 1.00 0.00 . 1 157 28 . ATOM C CA LYS * 65 . 70.904 -4.033 -5.972 1.00 0.00 . 1 158 28 . ATOM C C LYS * 65 . 69.991 -3.631 -7.137 1.00 0.00 . 1 159 28 . ATOM O O LYS * 65 . 70.379 -3.692 -8.289 1.00 0.00 . 1 160 28 . ATOM C CB LYS * 65 . 72.355 -4.185 -6.448 1.00 0.00 . 1 161 28 . ATOM C CG LYS * 65 . 72.455 -5.296 -7.508 1.00 0.00 . 1 162 28 . ATOM C CD LYS * 65 . 72.869 -4.696 -8.855 1.00 0.00 . 1 163 28 . ATOM C CE LYS * 65 . 74.390 -4.777 -9.003 1.00 0.00 . 1 164 28 . ATOM N NZ LYS * 65 . 74.658 -4.411 -10.422 1.00 0.00 . 1 165 28 . ATOM H H LYS * 65 . 69.860 -5.918 -5.941 1.00 0.00 . 1 166 28 . ATOM H HA LYS * 65 . 70.851 -3.298 -5.185 1.00 0.00 . 1 167 28 . ATOM H 1HB LYS * 65 . 72.691 -3.248 -6.870 1.00 0.00 . 1 168 28 . ATOM H 2HB LYS * 65 . 72.981 -4.440 -5.606 1.00 0.00 . 1 169 28 . ATOM H 1HG LYS * 65 . 73.192 -6.021 -7.196 1.00 0.00 . 1 170 28 . ATOM H 2HG LYS * 65 . 71.496 -5.783 -7.614 1.00 0.00 . 1 171 28 . ATOM H 1HD LYS * 65 . 72.399 -5.249 -9.655 1.00 0.00 . 1 172 28 . ATOM H 2HD LYS * 65 . 72.559 -3.663 -8.900 1.00 0.00 . 1 173 28 . ATOM H 1HE LYS * 65 . 74.870 -4.075 -8.335 1.00 0.00 . 1 174 28 . ATOM H 2HE LYS * 65 . 74.735 -5.780 -8.809 1.00 0.00 . 1 175 28 . ATOM H 1HZ LYS * 65 . 74.207 -3.498 -10.635 1.00 0.00 . 1 176 28 . ATOM H 2HZ LYS * 65 . 75.683 -4.337 -10.575 1.00 0.00 . 1 177 28 . ATOM H 3HZ LYS * 65 . 74.269 -5.144 -11.049 1.00 0.00 . 1 178 29 . ATOM N N GLN * 66 . 68.779 -3.225 -6.844 1.00 0.00 . 1 179 29 . ATOM C CA GLN * 66 . 67.839 -2.825 -7.932 1.00 0.00 . 1 180 29 . ATOM C C GLN * 66 . 67.160 -1.492 -7.604 1.00 0.00 . 1 181 29 . ATOM O O GLN * 66 . 66.980 -1.143 -6.453 1.00 0.00 . 1 182 29 . ATOM C CB GLN * 66 . 66.808 -3.951 -7.990 1.00 0.00 . 1 183 29 . ATOM C CG GLN * 66 . 67.203 -4.953 -9.076 1.00 0.00 . 1 184 29 . ATOM C CD GLN * 66 . 66.673 -4.476 -10.429 1.00 0.00 . 1 185 29 . ATOM O OE1 GLN * 66 . 67.398 -3.886 -11.205 1.00 0.00 . 1 186 29 . ATOM N NE2 GLN * 66 . 65.429 -4.709 -10.748 1.00 0.00 . 1 187 29 . ATOM H H GLN * 66 . 68.488 -3.188 -5.910 1.00 0.00 . 1 188 29 . ATOM H HA GLN * 66 . 68.361 -2.756 -8.870 1.00 0.00 . 1 189 29 . ATOM H 1HB GLN * 66 . 66.770 -4.452 -7.033 1.00 0.00 . 1 190 29 . ATOM H 2HB GLN * 66 . 65.838 -3.539 -8.218 1.00 0.00 . 1 191 29 . ATOM H 1HG GLN * 66 . 68.280 -5.031 -9.117 1.00 0.00 . 1 192 29 . ATOM H 2HG GLN * 66 . 66.780 -5.919 -8.846 1.00 0.00 . 1 193 29 . ATOM H 1HE2 GLN * 66 . 65.080 -4.408 -11.613 1.00 0.00 . 1 194 29 . ATOM H 2HE2 GLN * 66 . 64.844 -5.185 -10.122 1.00 0.00 . 1 195 30 . ATOM N N ARG * 67 . 66.783 -0.750 -8.616 1.00 0.00 . 1 196 30 . ATOM C CA ARG * 67 . 66.112 0.566 -8.389 1.00 0.00 . 1 197 30 . ATOM C C ARG * 67 . 64.672 0.516 -8.914 1.00 0.00 . 1 198 30 . ATOM O O ARG * 67 . 64.438 0.537 -10.108 1.00 0.00 . 1 199 30 . ATOM C CB ARG * 67 . 66.949 1.572 -9.189 1.00 0.00 . 1 200 30 . ATOM C CG ARG * 67 . 66.322 2.969 -9.097 1.00 0.00 . 1 201 30 . ATOM C CD ARG * 67 . 67.354 4.031 -9.495 1.00 0.00 . 1 202 30 . ATOM N NE ARG * 67 . 66.935 4.494 -10.856 1.00 0.00 . 1 203 30 . ATOM C CZ ARG * 67 . 67.304 3.859 -11.952 1.00 0.00 . 1 204 30 . ATOM N NH1 ARG * 67 . 68.060 2.786 -11.912 1.00 0.00 . 1 205 30 . ATOM N NH2 ARG * 67 . 66.905 4.310 -13.110 1.00 0.00 . 1 206 30 . ATOM H H ARG * 67 . 66.942 -1.062 -9.531 1.00 0.00 . 1 207 30 . ATOM H HA ARG * 67 . 66.126 0.822 -7.342 1.00 0.00 . 1 208 30 . ATOM H 1HB ARG * 67 . 67.952 1.602 -8.790 1.00 0.00 . 1 209 30 . ATOM H 2HB ARG * 67 . 66.984 1.264 -10.223 1.00 0.00 . 1 210 30 . ATOM H 1HG ARG * 67 . 65.473 3.025 -9.763 1.00 0.00 . 1 211 30 . ATOM H 2HG ARG * 67 . 65.996 3.150 -8.085 1.00 0.00 . 1 212 30 . ATOM H 1HD ARG * 67 . 67.325 4.855 -8.795 1.00 0.00 . 1 213 30 . ATOM H 2HD ARG * 67 . 68.344 3.608 -9.533 1.00 0.00 . 1 214 30 . ATOM H HE ARG * 67 . 66.370 5.291 -10.934 1.00 0.00 . 1 215 30 . ATOM H 1HH1 ARG * 67 . 68.379 2.421 -11.041 1.00 0.00 . 1 216 30 . ATOM H 2HH1 ARG * 67 . 68.320 2.331 -12.764 1.00 0.00 . 1 217 30 . ATOM H 1HH2 ARG * 67 . 66.328 5.126 -13.157 1.00 0.00 . 1 218 30 . ATOM H 2HH2 ARG * 67 . 67.176 3.840 -13.950 1.00 0.00 . 1 219 31 . ATOM N N THR * 68 . 63.709 0.450 -8.030 1.00 0.00 . 1 220 31 . ATOM C CA THR * 68 . 62.288 0.396 -8.462 1.00 0.00 . 1 221 31 . ATOM C C THR * 68 . 61.515 1.581 -7.856 1.00 0.00 . 1 222 31 . ATOM O O THR * 68 . 61.790 2.013 -6.754 1.00 0.00 . 1 223 31 . ATOM C CB THR * 68 . 61.792 -0.950 -7.913 1.00 0.00 . 1 224 31 . ATOM O OG1 THR * 68 . 62.384 -2.005 -8.658 1.00 0.00 . 1 225 31 . ATOM C CG2 THR * 68 . 60.272 -1.045 -8.024 1.00 0.00 . 1 226 31 . ATOM H H THR * 68 . 63.919 0.430 -7.076 1.00 0.00 . 1 227 31 . ATOM H HA THR * 68 . 62.219 0.407 -9.538 1.00 0.00 . 1 228 31 . ATOM H HB THR * 68 . 62.077 -1.042 -6.877 1.00 0.00 . 1 229 31 . ATOM H HG1 THR * 68 . 63.307 -2.068 -8.402 1.00 0.00 . 1 230 31 . ATOM H 1HG2 THR * 68 . 59.828 -0.225 -7.482 1.00 0.00 . 1 231 31 . ATOM H 2HG2 THR * 68 . 59.984 -0.991 -9.062 1.00 0.00 . 1 232 31 . ATOM H 3HG2 THR * 68 . 59.939 -1.980 -7.603 1.00 0.00 . 1 233 32 . ATOM N N VAL * 69 . 60.549 2.097 -8.574 1.00 0.00 . 1 234 32 . ATOM C CA VAL * 69 . 59.745 3.245 -8.054 1.00 0.00 . 1 235 32 . ATOM C C VAL * 69 . 58.289 3.110 -8.518 1.00 0.00 . 1 236 32 . ATOM O O VAL * 69 . 58.021 2.871 -9.680 1.00 0.00 . 1 237 32 . ATOM C CB VAL * 69 . 60.404 4.501 -8.646 1.00 0.00 . 1 238 32 . ATOM C CG1 VAL * 69 . 60.379 4.432 -10.177 1.00 0.00 . 1 239 32 . ATOM C CG2 VAL * 69 . 59.649 5.755 -8.181 1.00 0.00 . 1 240 32 . ATOM H H VAL * 69 . 60.348 1.723 -9.458 1.00 0.00 . 1 241 32 . ATOM H HA VAL * 69 . 59.794 3.276 -6.977 1.00 0.00 . 1 242 32 . ATOM H HB VAL * 69 . 61.430 4.554 -8.309 1.00 0.00 . 1 243 32 . ATOM H 1HG1 VAL * 69 . 60.663 3.441 -10.498 1.00 0.00 . 1 244 32 . ATOM H 2HG1 VAL * 69 . 59.383 4.654 -10.531 1.00 0.00 . 1 245 32 . ATOM H 3HG1 VAL * 69 . 61.074 5.154 -10.581 1.00 0.00 . 1 246 32 . ATOM H 1HG2 VAL * 69 . 58.635 5.492 -7.920 1.00 0.00 . 1 247 32 . ATOM H 2HG2 VAL * 69 . 60.143 6.173 -7.316 1.00 0.00 . 1 248 32 . ATOM H 3HG2 VAL * 69 . 59.639 6.486 -8.975 1.00 0.00 . 1 249 33 . ATOM N N VAL * 70 . 57.351 3.253 -7.615 1.00 0.00 . 1 250 33 . ATOM C CA VAL * 70 . 55.911 3.125 -7.997 1.00 0.00 . 1 251 33 . ATOM C C VAL * 70 . 55.100 4.305 -7.450 1.00 0.00 . 1 252 33 . ATOM O O VAL * 70 . 55.621 5.165 -6.765 1.00 0.00 . 1 253 33 . ATOM C CB VAL * 70 . 55.442 1.809 -7.367 1.00 0.00 . 1 254 33 . ATOM C CG1 VAL * 70 . 56.245 0.648 -7.956 1.00 0.00 . 1 255 33 . ATOM C CG2 VAL * 70 . 55.650 1.850 -5.848 1.00 0.00 . 1 256 33 . ATOM H H VAL * 70 . 57.595 3.440 -6.684 1.00 0.00 . 1 257 33 . ATOM H HA VAL * 70 . 55.814 3.071 -9.069 1.00 0.00 . 1 258 33 . ATOM H HB VAL * 70 . 54.393 1.664 -7.583 1.00 0.00 . 1 259 33 . ATOM H 1HG1 VAL * 70 . 56.319 0.768 -9.027 1.00 0.00 . 1 260 33 . ATOM H 2HG1 VAL * 70 . 57.236 0.641 -7.526 1.00 0.00 . 1 261 33 . ATOM H 3HG1 VAL * 70 . 55.748 -0.284 -7.731 1.00 0.00 . 1 262 33 . ATOM H 1HG2 VAL * 70 . 55.215 2.755 -5.450 1.00 0.00 . 1 263 33 . ATOM H 2HG2 VAL * 70 . 55.175 0.992 -5.396 1.00 0.00 . 1 264 33 . ATOM H 3HG2 VAL * 70 . 56.708 1.833 -5.629 1.00 0.00 . 1 265 34 . ATOM N N ASN * 71 . 53.825 4.344 -7.751 1.00 0.00 . 1 266 34 . ATOM C CA ASN * 71 . 52.965 5.460 -7.256 1.00 0.00 . 1 267 34 . ATOM C C ASN * 71 . 52.525 5.191 -5.816 1.00 0.00 . 1 268 34 . ATOM O O ASN * 71 . 51.804 4.251 -5.542 1.00 0.00 . 1 269 34 . ATOM C CB ASN * 71 . 51.755 5.478 -8.190 1.00 0.00 . 1 270 34 . ATOM C CG ASN * 71 . 52.216 5.769 -9.619 1.00 0.00 . 1 271 34 . ATOM O OD1 ASN * 71 . 52.308 6.913 -10.019 1.00 0.00 . 1 272 34 . ATOM N ND2 ASN * 71 . 52.511 4.775 -10.412 1.00 0.00 . 1 273 34 . ATOM H H ASN * 71 . 53.434 3.636 -8.304 1.00 0.00 . 1 274 34 . ATOM H HA ASN * 71 . 53.492 6.398 -7.319 1.00 0.00 . 1 275 34 . ATOM H 1HB ASN * 71 . 51.262 4.518 -8.157 1.00 0.00 . 1 276 34 . ATOM H 2HB ASN * 71 . 51.068 6.248 -7.871 1.00 0.00 . 1 277 34 . ATOM H 1HD2 ASN * 71 . 52.806 4.951 -11.329 1.00 0.00 . 1 278 34 . ATOM H 2HD2 ASN * 71 . 52.436 3.853 -10.089 1.00 0.00 . 1 279 35 . ATOM N N VAL * 72 . 52.962 6.011 -4.898 1.00 0.00 . 1 280 35 . ATOM C CA VAL * 72 . 52.590 5.821 -3.469 1.00 0.00 . 1 281 35 . ATOM C C VAL * 72 . 51.821 7.038 -2.954 1.00 0.00 . 1 282 35 . ATOM O O VAL * 72 . 52.292 7.771 -2.107 1.00 0.00 . 1 283 35 . ATOM C CB VAL * 72 . 53.920 5.669 -2.735 1.00 0.00 . 1 284 35 . ATOM C CG1 VAL * 72 . 54.615 4.396 -3.221 1.00 0.00 . 1 285 35 . ATOM C CG2 VAL * 72 . 54.812 6.886 -3.007 1.00 0.00 . 1 286 35 . ATOM H H VAL * 72 . 53.545 6.753 -5.146 1.00 0.00 . 1 287 35 . ATOM H HA VAL * 72 . 52.002 4.927 -3.350 1.00 0.00 . 1 288 35 . ATOM H HB VAL * 72 . 53.736 5.595 -1.680 1.00 0.00 . 1 289 35 . ATOM H 1HG1 VAL * 72 . 53.879 3.713 -3.621 1.00 0.00 . 1 290 35 . ATOM H 2HG1 VAL * 72 . 55.328 4.647 -3.992 1.00 0.00 . 1 291 35 . ATOM H 3HG1 VAL * 72 . 55.127 3.927 -2.395 1.00 0.00 . 1 292 35 . ATOM H 1HG2 VAL * 72 . 54.196 7.723 -3.303 1.00 0.00 . 1 293 35 . ATOM H 2HG2 VAL * 72 . 55.359 7.140 -2.112 1.00 0.00 . 1 294 35 . ATOM H 3HG2 VAL * 72 . 55.506 6.654 -3.799 1.00 0.00 . 1 295 36 . ATOM N N ARG * 73 . 50.639 7.250 -3.464 1.00 0.00 . 1 296 36 . ATOM C CA ARG * 73 . 49.819 8.413 -3.016 1.00 0.00 . 1 297 36 . ATOM C C ARG * 73 . 48.941 8.009 -1.829 1.00 0.00 . 1 298 36 . ATOM O O ARG * 73 . 49.153 6.982 -1.217 1.00 0.00 . 1 299 36 . ATOM C CB ARG * 73 . 48.956 8.777 -4.224 1.00 0.00 . 1 300 36 . ATOM C CG ARG * 73 . 48.798 10.297 -4.299 1.00 0.00 . 1 301 36 . ATOM C CD ARG * 73 . 49.888 10.880 -5.201 1.00 0.00 . 1 302 36 . ATOM N NE ARG * 73 . 49.460 10.541 -6.592 1.00 0.00 . 1 303 36 . ATOM C CZ ARG * 73 . 48.479 11.192 -7.188 1.00 0.00 . 1 304 36 . ATOM N NH1 ARG * 73 . 47.835 12.165 -6.586 1.00 0.00 . 1 305 36 . ATOM N NH2 ARG * 73 . 48.141 10.859 -8.403 1.00 0.00 . 1 306 36 . ATOM H H ARG * 73 . 50.291 6.639 -4.145 1.00 0.00 . 1 307 36 . ATOM H HA ARG * 73 . 50.455 9.242 -2.751 1.00 0.00 . 1 308 36 . ATOM H 1HB ARG * 73 . 49.431 8.417 -5.125 1.00 0.00 . 1 309 36 . ATOM H 2HB ARG * 73 . 47.984 8.320 -4.121 1.00 0.00 . 1 310 36 . ATOM H 1HG ARG * 73 . 47.826 10.537 -4.706 1.00 0.00 . 1 311 36 . ATOM H 2HG ARG * 73 . 48.889 10.718 -3.310 1.00 0.00 . 1 312 36 . ATOM H 1HD ARG * 73 . 49.946 11.952 -5.072 1.00 0.00 . 1 313 36 . ATOM H 2HD ARG * 73 . 50.841 10.421 -4.985 1.00 0.00 . 1 314 36 . ATOM H HE ARG * 73 . 49.918 9.820 -7.073 1.00 0.00 . 1 315 36 . ATOM H 1HH1 ARG * 73 . 48.078 12.436 -5.656 1.00 0.00 . 1 316 36 . ATOM H 2HH1 ARG * 73 . 47.095 12.640 -7.063 1.00 0.00 . 1 317 36 . ATOM H 1HH2 ARG * 73 . 48.623 10.120 -8.873 1.00 0.00 . 1 318 36 . ATOM H 2HH2 ARG * 73 . 47.398 11.345 -8.866 1.00 0.00 . 1 319 37 . ATOM N N ASN * 74 . 47.955 8.812 -1.504 1.00 0.00 . 1 320 37 . ATOM C CA ASN * 74 . 47.043 8.498 -0.354 1.00 0.00 . 1 321 37 . ATOM C C ASN * 74 . 47.849 8.312 0.944 1.00 0.00 . 1 322 37 . ATOM O O ASN * 74 . 48.019 9.244 1.707 1.00 0.00 . 1 323 37 . ATOM C CB ASN * 74 . 46.303 7.210 -0.745 1.00 0.00 . 1 324 37 . ATOM C CG ASN * 74 . 45.055 7.563 -1.555 1.00 0.00 . 1 325 37 . ATOM O OD1 ASN * 74 . 44.473 8.614 -1.369 1.00 0.00 . 1 326 37 . ATOM N ND2 ASN * 74 . 44.616 6.724 -2.453 1.00 0.00 . 1 327 37 . ATOM H H ASN * 74 . 47.812 9.632 -2.022 1.00 0.00 . 1 328 37 . ATOM H HA ASN * 74 . 46.329 9.297 -0.226 1.00 0.00 . 1 329 37 . ATOM H 1HB ASN * 74 . 46.954 6.585 -1.339 1.00 0.00 . 1 330 37 . ATOM H 2HB ASN * 74 . 46.011 6.678 0.148 1.00 0.00 . 1 331 37 . ATOM H 1HD2 ASN * 74 . 43.817 6.942 -2.977 1.00 0.00 . 1 332 37 . ATOM H 2HD2 ASN * 74 . 45.085 5.877 -2.603 1.00 0.00 . 1 333 38 . ATOM N N GLY * 75 . 48.353 7.126 1.199 1.00 0.00 . 1 334 38 . ATOM C CA GLY * 75 . 49.148 6.889 2.434 1.00 0.00 . 1 335 38 . ATOM C C GLY * 75 . 49.779 5.514 2.301 1.00 0.00 . 1 336 38 . ATOM O O GLY * 75 . 49.845 4.747 3.242 1.00 0.00 . 1 337 38 . ATOM H H GLY * 75 . 48.217 6.379 0.569 1.00 0.00 . 1 338 38 . ATOM H 1HA GLY * 75 . 49.917 7.644 2.526 1.00 0.00 . 1 339 38 . ATOM H 2HA GLY * 75 . 48.504 6.909 3.298 1.00 0.00 . 1 340 39 . ATOM N N MET * 76 . 50.215 5.194 1.110 1.00 0.00 . 1 341 39 . ATOM C CA MET * 76 . 50.817 3.860 0.860 1.00 0.00 . 1 342 39 . ATOM C C MET * 76 . 52.031 3.633 1.766 1.00 0.00 . 1 343 39 . ATOM O O MET * 76 . 53.151 3.940 1.402 1.00 0.00 . 1 344 39 . ATOM C CB MET * 76 . 51.240 3.873 -0.612 1.00 0.00 . 1 345 39 . ATOM C CG MET * 76 . 50.099 3.329 -1.475 1.00 0.00 . 1 346 39 . ATOM S SD MET * 76 . 50.783 2.508 -2.936 1.00 0.00 . 1 347 39 . ATOM C CE MET * 76 . 49.226 2.314 -3.838 1.00 0.00 . 1 348 39 . ATOM H H MET * 76 . 50.121 5.834 0.372 1.00 0.00 . 1 349 39 . ATOM H HA MET * 76 . 50.073 3.100 1.019 1.00 0.00 . 1 350 39 . ATOM H 1HB MET * 76 . 51.467 4.887 -0.911 1.00 0.00 . 1 351 39 . ATOM H 2HB MET * 76 . 52.115 3.254 -0.741 1.00 0.00 . 1 352 39 . ATOM H 1HG MET * 76 . 49.521 2.621 -0.901 1.00 0.00 . 1 353 39 . ATOM H 2HG MET * 76 . 49.463 4.145 -1.786 1.00 0.00 . 1 354 39 . ATOM H 1HE MET * 76 . 48.401 2.340 -3.139 1.00 0.00 . 1 355 39 . ATOM H 2HE MET * 76 . 49.117 3.117 -4.548 1.00 0.00 . 1 356 39 . ATOM H 3HE MET * 76 . 49.230 1.369 -4.363 1.00 0.00 . 1 357 40 . ATOM N N SER * 77 . 51.814 3.096 2.939 1.00 0.00 . 1 358 40 . ATOM C CA SER * 77 . 52.955 2.845 3.873 1.00 0.00 . 1 359 40 . ATOM C C SER * 77 . 53.930 1.847 3.246 1.00 0.00 . 1 360 40 . ATOM O O SER * 77 . 53.612 1.184 2.276 1.00 0.00 . 1 361 40 . ATOM C CB SER * 77 . 52.324 2.256 5.135 1.00 0.00 . 1 362 40 . ATOM O OG SER * 77 . 51.553 1.114 4.786 1.00 0.00 . 1 363 40 . ATOM H H SER * 77 . 50.901 2.857 3.204 1.00 0.00 . 1 364 40 . ATOM H HA SER * 77 . 53.459 3.768 4.108 1.00 0.00 . 1 365 40 . ATOM H 1HB SER * 77 . 53.098 1.964 5.825 1.00 0.00 . 1 366 40 . ATOM H 2HB SER * 77 . 51.692 3.001 5.601 1.00 0.00 . 1 367 40 . ATOM H HG SER * 77 . 50.867 1.005 5.449 1.00 0.00 . 1 368 41 . ATOM N N LEU * 78 . 55.114 1.735 3.793 1.00 0.00 . 1 369 41 . ATOM C CA LEU * 78 . 56.117 0.777 3.231 1.00 0.00 . 1 370 41 . ATOM C C LEU * 78 . 55.564 -0.652 3.271 1.00 0.00 . 1 371 41 . ATOM O O LEU * 78 . 55.918 -1.487 2.460 1.00 0.00 . 1 372 41 . ATOM C CB LEU * 78 . 57.346 0.900 4.138 1.00 0.00 . 1 373 41 . ATOM C CG LEU * 78 . 58.396 1.801 3.479 1.00 0.00 . 1 374 41 . ATOM C CD1 LEU * 78 . 59.586 1.972 4.429 1.00 0.00 . 1 375 41 . ATOM C CD2 LEU * 78 . 58.876 1.170 2.162 1.00 0.00 . 1 376 41 . ATOM H H LEU * 78 . 55.342 2.282 4.574 1.00 0.00 . 1 377 41 . ATOM H HA LEU * 78 . 56.374 1.054 2.221 1.00 0.00 . 1 378 41 . ATOM H 1HB LEU * 78 . 57.050 1.327 5.085 1.00 0.00 . 1 379 41 . ATOM H 2HB LEU * 78 . 57.769 -0.078 4.304 1.00 0.00 . 1 380 41 . ATOM H HG LEU * 78 . 57.958 2.769 3.277 1.00 0.00 . 1 381 41 . ATOM H 1HD1 LEU * 78 . 59.270 1.778 5.443 1.00 0.00 . 1 382 41 . ATOM H 2HD1 LEU * 78 . 60.367 1.277 4.156 1.00 0.00 . 1 383 41 . ATOM H 3HD1 LEU * 78 . 59.962 2.981 4.356 1.00 0.00 . 1 384 41 . ATOM H 1HD2 LEU * 78 . 58.203 0.379 1.872 1.00 0.00 . 1 385 41 . ATOM H 2HD2 LEU * 78 . 58.896 1.925 1.390 1.00 0.00 . 1 386 41 . ATOM H 3HD2 LEU * 78 . 59.869 0.766 2.293 1.00 0.00 . 1 387 42 . ATOM N N HIS * 79 . 54.703 -0.933 4.215 1.00 0.00 . 1 388 42 . ATOM C CA HIS * 79 . 54.121 -2.306 4.325 1.00 0.00 . 1 389 42 . ATOM C C HIS * 79 . 53.371 -2.684 3.043 1.00 0.00 . 1 390 42 . ATOM O O HIS * 79 . 53.361 -3.832 2.644 1.00 0.00 . 1 391 42 . ATOM C CB HIS * 79 . 53.149 -2.236 5.507 1.00 0.00 . 1 392 42 . ATOM C CG HIS * 79 . 53.211 -3.518 6.292 1.00 0.00 . 1 393 42 . ATOM N ND1 HIS * 79 . 53.057 -4.759 5.694 1.00 0.00 . 1 394 42 . ATOM C CD2 HIS * 79 . 53.410 -3.767 7.627 1.00 0.00 . 1 395 42 . ATOM C CE1 HIS * 79 . 53.164 -5.690 6.660 1.00 0.00 . 1 396 42 . ATOM N NE2 HIS * 79 . 53.380 -5.139 7.857 1.00 0.00 . 1 397 42 . ATOM H H HIS * 79 . 54.442 -0.239 4.856 1.00 0.00 . 1 398 42 . ATOM H HA HIS * 79 . 54.897 -3.026 4.531 1.00 0.00 . 1 399 42 . ATOM H 1HB HIS * 79 . 53.420 -1.409 6.145 1.00 0.00 . 1 400 42 . ATOM H 2HB HIS * 79 . 52.144 -2.090 5.137 1.00 0.00 . 1 401 42 . ATOM H HD1 HIS * 79 . 52.898 -4.928 4.742 1.00 0.00 . 1 402 42 . ATOM H HD2 HIS * 79 . 53.566 -3.013 8.384 1.00 0.00 . 1 403 42 . ATOM H HE1 HIS * 79 . 53.086 -6.753 6.487 1.00 0.00 . 1 404 43 . ATOM N N ASP * 80 . 52.734 -1.734 2.404 1.00 0.00 . 1 405 43 . ATOM C CA ASP * 80 . 51.973 -2.048 1.156 1.00 0.00 . 1 406 43 . ATOM C C ASP * 80 . 52.911 -2.128 -0.054 1.00 0.00 . 1 407 43 . ATOM O O ASP * 80 . 52.849 -3.061 -0.834 1.00 0.00 . 1 408 43 . ATOM C CB ASP * 80 . 50.990 -0.890 0.993 1.00 0.00 . 1 409 43 . ATOM C CG ASP * 80 . 50.030 -0.863 2.183 1.00 0.00 . 1 410 43 . ATOM O OD1 ASP * 80 . 50.500 -0.681 3.295 1.00 0.00 . 1 411 43 . ATOM O OD2 ASP * 80 . 48.841 -1.024 1.964 1.00 0.00 . 1 412 43 . ATOM H H ASP * 80 . 52.747 -0.816 2.750 1.00 0.00 . 1 413 43 . ATOM H HA ASP * 80 . 51.431 -2.973 1.271 1.00 0.00 . 1 414 43 . ATOM H 1HB ASP * 80 . 51.536 0.042 0.948 1.00 0.00 . 1 415 43 . ATOM H 2HB ASP * 80 . 50.428 -1.022 0.083 1.00 0.00 . 1 416 44 . ATOM N N CYS * 81 . 53.768 -1.154 -0.222 1.00 0.00 . 1 417 44 . ATOM C CA CYS * 81 . 54.703 -1.162 -1.393 1.00 0.00 . 1 418 44 . ATOM C C CYS * 81 . 55.694 -2.327 -1.292 1.00 0.00 . 1 419 44 . ATOM O O CYS * 81 . 56.063 -2.925 -2.289 1.00 0.00 . 1 420 44 . ATOM C CB CYS * 81 . 55.444 0.174 -1.324 1.00 0.00 . 1 421 44 . ATOM S SG CYS * 81 . 54.267 1.530 -1.555 1.00 0.00 . 1 422 44 . ATOM H H CYS * 81 . 53.789 -0.410 0.417 1.00 0.00 . 1 423 44 . ATOM H HA CYS * 81 . 54.147 -1.224 -2.314 1.00 0.00 . 1 424 44 . ATOM H 1HB CYS * 81 . 55.922 0.272 -0.361 1.00 0.00 . 1 425 44 . ATOM H 2HB CYS * 81 . 56.192 0.211 -2.103 1.00 0.00 . 1 426 44 . ATOM H HG CYS * 81 . 54.227 1.732 -2.492 1.00 0.00 . 1 427 45 . ATOM N N LEU * 82 . 56.132 -2.649 -0.101 1.00 0.00 . 1 428 45 . ATOM C CA LEU * 82 . 57.108 -3.767 0.062 1.00 0.00 . 1 429 45 . ATOM C C LEU * 82 . 56.394 -5.117 -0.001 1.00 0.00 . 1 430 45 . ATOM O O LEU * 82 . 56.781 -5.989 -0.753 1.00 0.00 . 1 431 45 . ATOM C CB LEU * 82 . 57.736 -3.552 1.439 1.00 0.00 . 1 432 45 . ATOM C CG LEU * 82 . 58.571 -2.270 1.429 1.00 0.00 . 1 433 45 . ATOM C CD1 LEU * 82 . 59.113 -2.009 2.833 1.00 0.00 . 1 434 45 . ATOM C CD2 LEU * 82 . 59.744 -2.423 0.456 1.00 0.00 . 1 435 45 . ATOM H H LEU * 82 . 55.825 -2.151 0.685 1.00 0.00 . 1 436 45 . ATOM H HA LEU * 82 . 57.870 -3.712 -0.699 1.00 0.00 . 1 437 45 . ATOM H 1HB LEU * 82 . 56.955 -3.468 2.181 1.00 0.00 . 1 438 45 . ATOM H 2HB LEU * 82 . 58.370 -4.390 1.680 1.00 0.00 . 1 439 45 . ATOM H HG LEU * 82 . 57.951 -1.441 1.122 1.00 0.00 . 1 440 45 . ATOM H 1HD1 LEU * 82 . 59.652 -2.879 3.176 1.00 0.00 . 1 441 45 . ATOM H 2HD1 LEU * 82 . 59.779 -1.157 2.812 1.00 0.00 . 1 442 45 . ATOM H 3HD1 LEU * 82 . 58.291 -1.808 3.503 1.00 0.00 . 1 443 45 . ATOM H 1HD2 LEU * 82 . 60.251 -3.357 0.647 1.00 0.00 . 1 444 45 . ATOM H 2HD2 LEU * 82 . 59.374 -2.414 -0.559 1.00 0.00 . 1 445 45 . ATOM H 3HD2 LEU * 82 . 60.434 -1.604 0.593 1.00 0.00 . 1 446 46 . ATOM N N MET * 83 . 55.349 -5.298 0.774 1.00 0.00 . 1 447 46 . ATOM C CA MET * 83 . 54.600 -6.601 0.753 1.00 0.00 . 1 448 46 . ATOM C C MET * 83 . 54.238 -6.991 -0.689 1.00 0.00 . 1 449 46 . ATOM O O MET * 83 . 54.091 -8.153 -1.006 1.00 0.00 . 1 450 46 . ATOM C CB MET * 83 . 53.333 -6.349 1.577 1.00 0.00 . 1 451 46 . ATOM C CG MET * 83 . 52.490 -7.627 1.639 1.00 0.00 . 1 452 46 . ATOM S SD MET * 83 . 51.596 -7.690 3.212 1.00 0.00 . 1 453 46 . ATOM C CE MET * 83 . 49.972 -7.219 2.570 1.00 0.00 . 1 454 46 . ATOM H H MET * 83 . 55.054 -4.575 1.367 1.00 0.00 . 1 455 46 . ATOM H HA MET * 83 . 55.189 -7.378 1.214 1.00 0.00 . 1 456 46 . ATOM H 1HB MET * 83 . 53.612 -6.054 2.578 1.00 0.00 . 1 457 46 . ATOM H 2HB MET * 83 . 52.756 -5.561 1.118 1.00 0.00 . 1 458 46 . ATOM H 1HG MET * 83 . 51.782 -7.628 0.823 1.00 0.00 . 1 459 46 . ATOM H 2HG MET * 83 . 53.136 -8.488 1.556 1.00 0.00 . 1 460 46 . ATOM H 1HE MET * 83 . 49.800 -7.711 1.626 1.00 0.00 . 1 461 46 . ATOM H 2HE MET * 83 . 49.207 -7.518 3.274 1.00 0.00 . 1 462 46 . ATOM H 3HE MET * 83 . 49.939 -6.148 2.427 1.00 0.00 . 1 463 47 . ATOM N N LYS * 84 . 54.110 -6.019 -1.555 1.00 0.00 . 1 464 47 . ATOM C CA LYS * 84 . 53.773 -6.305 -2.987 1.00 0.00 . 1 465 47 . ATOM C C LYS * 84 . 55.000 -6.857 -3.707 1.00 0.00 . 1 466 47 . ATOM O O LYS * 84 . 55.065 -8.024 -4.041 1.00 0.00 . 1 467 47 . ATOM C CB LYS * 84 . 53.413 -4.950 -3.570 1.00 0.00 . 1 468 47 . ATOM C CG LYS * 84 . 52.053 -4.498 -3.036 1.00 0.00 . 1 469 47 . ATOM C CD LYS * 84 . 50.949 -4.965 -3.987 1.00 0.00 . 1 470 47 . ATOM C CE LYS * 84 . 49.662 -4.189 -3.696 1.00 0.00 . 1 471 47 . ATOM N NZ LYS * 84 . 48.583 -4.974 -4.359 1.00 0.00 . 1 472 47 . ATOM H H LYS * 84 . 54.245 -5.092 -1.264 1.00 0.00 . 1 473 47 . ATOM H HA LYS * 84 . 52.939 -6.987 -3.062 1.00 0.00 . 1 474 47 . ATOM H 1HB LYS * 84 . 54.176 -4.242 -3.280 1.00 0.00 . 1 475 47 . ATOM H 2HB LYS * 84 . 53.378 -5.021 -4.645 1.00 0.00 . 1 476 47 . ATOM H 1HG LYS * 84 . 51.891 -4.926 -2.057 1.00 0.00 . 1 477 47 . ATOM H 2HG LYS * 84 . 52.033 -3.421 -2.966 1.00 0.00 . 1 478 47 . ATOM H 1HD LYS * 84 . 51.255 -4.787 -5.008 1.00 0.00 . 1 479 47 . ATOM H 2HD LYS * 84 . 50.771 -6.020 -3.843 1.00 0.00 . 1 480 47 . ATOM H 1HE LYS * 84 . 49.490 -4.134 -2.630 1.00 0.00 . 1 481 47 . ATOM H 2HE LYS * 84 . 49.714 -3.199 -4.122 1.00 0.00 . 1 482 47 . ATOM H 1HZ LYS * 84 . 48.818 -5.108 -5.363 1.00 0.00 . 1 483 47 . ATOM H 2HZ LYS * 84 . 48.494 -5.901 -3.895 1.00 0.00 . 1 484 47 . ATOM H 3HZ LYS * 84 . 47.683 -4.459 -4.282 1.00 0.00 . 1 485 48 . ATOM N N ALA * 85 . 55.996 -6.026 -3.928 1.00 0.00 . 1 486 48 . ATOM C CA ALA * 85 . 57.242 -6.512 -4.601 1.00 0.00 . 1 487 48 . ATOM C C ALA * 85 . 57.807 -7.702 -3.814 1.00 0.00 . 1 488 48 . ATOM O O ALA * 85 . 58.520 -8.533 -4.346 1.00 0.00 . 1 489 48 . ATOM C CB ALA * 85 . 58.215 -5.330 -4.560 1.00 0.00 . 1 490 48 . ATOM H H ALA * 85 . 55.930 -5.092 -3.631 1.00 0.00 . 1 491 48 . ATOM H HA ALA * 85 . 57.038 -6.793 -5.622 1.00 0.00 . 1 492 48 . ATOM H 1HB ALA * 85 . 57.867 -4.602 -3.842 1.00 0.00 . 1 493 48 . ATOM H 2HB ALA * 85 . 59.196 -5.679 -4.272 1.00 0.00 . 1 494 48 . ATOM H 3HB ALA * 85 . 58.268 -4.874 -5.537 1.00 0.00 . 1 495 49 . ATOM N N LEU * 86 . 57.466 -7.790 -2.549 1.00 0.00 . 1 496 49 . ATOM C CA LEU * 86 . 57.956 -8.927 -1.716 1.00 0.00 . 1 497 49 . ATOM C C LEU * 86 . 57.251 -10.220 -2.139 1.00 0.00 . 1 498 49 . ATOM O O LEU * 86 . 57.879 -11.250 -2.301 1.00 0.00 . 1 499 49 . ATOM C CB LEU * 86 . 57.591 -8.548 -0.277 1.00 0.00 . 1 500 49 . ATOM C CG LEU * 86 . 58.006 -9.664 0.683 1.00 0.00 . 1 501 49 . ATOM C CD1 LEU * 86 . 58.299 -9.066 2.060 1.00 0.00 . 1 502 49 . ATOM C CD2 LEU * 86 . 56.867 -10.681 0.796 1.00 0.00 . 1 503 49 . ATOM H H LEU * 86 . 56.873 -7.106 -2.150 1.00 0.00 . 1 504 49 . ATOM H HA LEU * 86 . 59.026 -9.031 -1.812 1.00 0.00 . 1 505 49 . ATOM H 1HB LEU * 86 . 58.102 -7.636 -0.007 1.00 0.00 . 1 506 49 . ATOM H 2HB LEU * 86 . 56.524 -8.396 -0.207 1.00 0.00 . 1 507 49 . ATOM H HG LEU * 86 . 58.892 -10.152 0.306 1.00 0.00 . 1 508 49 . ATOM H 1HD1 LEU * 86 . 57.776 -8.126 2.165 1.00 0.00 . 1 509 49 . ATOM H 2HD1 LEU * 86 . 57.967 -9.748 2.827 1.00 0.00 . 1 510 49 . ATOM H 3HD1 LEU * 86 . 59.361 -8.899 2.161 1.00 0.00 . 1 511 49 . ATOM H 1HD2 LEU * 86 . 55.929 -10.199 0.560 1.00 0.00 . 1 512 49 . ATOM H 2HD2 LEU * 86 . 57.039 -11.492 0.104 1.00 0.00 . 1 513 49 . ATOM H 3HD2 LEU * 86 . 56.829 -11.069 1.803 1.00 0.00 . 1 514 50 . ATOM N N LYS * 87 . 55.952 -10.174 -2.323 1.00 0.00 . 1 515 50 . ATOM C CA LYS * 87 . 55.213 -11.404 -2.739 1.00 0.00 . 1 516 50 . ATOM C C LYS * 87 . 55.423 -11.660 -4.236 1.00 0.00 . 1 517 50 . ATOM O O LYS * 87 . 55.395 -12.788 -4.691 1.00 0.00 . 1 518 50 . ATOM C CB LYS * 87 . 53.732 -11.136 -2.408 1.00 0.00 . 1 519 50 . ATOM C CG LYS * 87 . 53.156 -10.012 -3.281 1.00 0.00 . 1 520 50 . ATOM C CD LYS * 87 . 51.628 -10.059 -3.224 1.00 0.00 . 1 521 50 . ATOM C CE LYS * 87 . 51.119 -11.208 -4.097 1.00 0.00 . 1 522 50 . ATOM N NZ LYS * 87 . 49.769 -11.532 -3.557 1.00 0.00 . 1 523 50 . ATOM H H LYS * 87 . 55.467 -9.333 -2.189 1.00 0.00 . 1 524 50 . ATOM H HA LYS * 87 . 55.566 -12.252 -2.170 1.00 0.00 . 1 525 50 . ATOM H 1HB LYS * 87 . 53.163 -12.034 -2.578 1.00 0.00 . 1 526 50 . ATOM H 2HB LYS * 87 . 53.648 -10.854 -1.370 1.00 0.00 . 1 527 50 . ATOM H 1HG LYS * 87 . 53.496 -9.060 -2.913 1.00 0.00 . 1 528 50 . ATOM H 2HG LYS * 87 . 53.476 -10.139 -4.302 1.00 0.00 . 1 529 50 . ATOM H 1HD LYS * 87 . 51.311 -10.215 -2.202 1.00 0.00 . 1 530 50 . ATOM H 2HD LYS * 87 . 51.224 -9.127 -3.588 1.00 0.00 . 1 531 50 . ATOM H 1HE LYS * 87 . 51.049 -10.892 -5.129 1.00 0.00 . 1 532 50 . ATOM H 2HE LYS * 87 . 51.768 -12.065 -4.008 1.00 0.00 . 1 533 50 . ATOM H 1HZ LYS * 87 . 49.829 -11.666 -2.529 1.00 0.00 . 1 534 50 . ATOM H 2HZ LYS * 87 . 49.116 -10.750 -3.765 1.00 0.00 . 1 535 50 . ATOM H 3HZ LYS * 87 . 49.418 -12.405 -4.002 1.00 0.00 . 1 536 51 . ATOM N N VAL * 88 . 55.642 -10.618 -4.999 1.00 0.00 . 1 537 51 . ATOM C CA VAL * 88 . 55.866 -10.791 -6.467 1.00 0.00 . 1 538 51 . ATOM C C VAL * 88 . 57.128 -11.627 -6.694 1.00 0.00 . 1 539 51 . ATOM O O VAL * 88 . 57.229 -12.369 -7.653 1.00 0.00 . 1 540 51 . ATOM C CB VAL * 88 . 56.044 -9.373 -7.024 1.00 0.00 . 1 541 51 . ATOM C CG1 VAL * 88 . 56.291 -9.437 -8.534 1.00 0.00 . 1 542 51 . ATOM C CG2 VAL * 88 . 54.778 -8.553 -6.753 1.00 0.00 . 1 543 51 . ATOM H H VAL * 88 . 55.664 -9.722 -4.601 1.00 0.00 . 1 544 51 . ATOM H HA VAL * 88 . 55.011 -11.264 -6.925 1.00 0.00 . 1 545 51 . ATOM H HB VAL * 88 . 56.889 -8.902 -6.542 1.00 0.00 . 1 546 51 . ATOM H 1HG1 VAL * 88 . 55.589 -10.122 -8.985 1.00 0.00 . 1 547 51 . ATOM H 2HG1 VAL * 88 . 56.161 -8.454 -8.962 1.00 0.00 . 1 548 51 . ATOM H 3HG1 VAL * 88 . 57.298 -9.779 -8.719 1.00 0.00 . 1 549 51 . ATOM H 1HG2 VAL * 88 . 54.252 -8.969 -5.907 1.00 0.00 . 1 550 51 . ATOM H 2HG2 VAL * 88 . 55.050 -7.530 -6.540 1.00 0.00 . 1 551 51 . ATOM H 3HG2 VAL * 88 . 54.137 -8.581 -7.622 1.00 0.00 . 1 552 52 . ATOM N N ARG * 89 . 58.084 -11.516 -5.807 1.00 0.00 . 1 553 52 . ATOM C CA ARG * 89 . 59.340 -12.307 -5.948 1.00 0.00 . 1 554 52 . ATOM C C ARG * 89 . 59.267 -13.577 -5.090 1.00 0.00 . 1 555 52 . ATOM O O ARG * 89 . 60.029 -14.506 -5.282 1.00 0.00 . 1 556 52 . ATOM C CB ARG * 89 . 60.447 -11.381 -5.440 1.00 0.00 . 1 557 52 . ATOM C CG ARG * 89 . 60.862 -10.418 -6.555 1.00 0.00 . 1 558 52 . ATOM C CD ARG * 89 . 62.089 -10.974 -7.284 1.00 0.00 . 1 559 52 . ATOM N NE ARG * 89 . 61.837 -10.704 -8.735 1.00 0.00 . 1 560 52 . ATOM C CZ ARG * 89 . 62.820 -10.706 -9.615 1.00 0.00 . 1 561 52 . ATOM N NH1 ARG * 89 . 64.061 -10.946 -9.260 1.00 0.00 . 1 562 52 . ATOM N NH2 ARG * 89 . 62.551 -10.464 -10.869 1.00 0.00 . 1 563 52 . ATOM H H ARG * 89 . 57.971 -10.916 -5.037 1.00 0.00 . 1 564 52 . ATOM H HA ARG * 89 . 59.515 -12.558 -6.982 1.00 0.00 . 1 565 52 . ATOM H 1HB ARG * 89 . 60.083 -10.817 -4.593 1.00 0.00 . 1 566 52 . ATOM H 2HB ARG * 89 . 61.300 -11.971 -5.140 1.00 0.00 . 1 567 52 . ATOM H 1HG ARG * 89 . 60.047 -10.304 -7.256 1.00 0.00 . 1 568 52 . ATOM H 2HG ARG * 89 . 61.105 -9.457 -6.128 1.00 0.00 . 1 569 52 . ATOM H 1HD ARG * 89 . 62.982 -10.463 -6.953 1.00 0.00 . 1 570 52 . ATOM H 2HD ARG * 89 . 62.177 -12.036 -7.117 1.00 0.00 . 1 571 52 . ATOM H HE ARG * 89 . 60.923 -10.522 -9.039 1.00 0.00 . 1 572 52 . ATOM H 1HH1 ARG * 89 . 64.289 -11.134 -8.306 1.00 0.00 . 1 573 52 . ATOM H 2HH1 ARG * 89 . 64.785 -10.941 -9.950 1.00 0.00 . 1 574 52 . ATOM H 1HH2 ARG * 89 . 61.610 -10.280 -11.152 1.00 0.00 . 1 575 52 . ATOM H 2HH2 ARG * 89 . 63.287 -10.463 -11.546 1.00 0.00 . 1 576 53 . ATOM N N GLY * 90 . 58.360 -13.621 -4.141 1.00 0.00 . 1 577 53 . ATOM C CA GLY * 90 . 58.240 -14.823 -3.266 1.00 0.00 . 1 578 53 . ATOM C C GLY * 90 . 59.164 -14.662 -2.058 1.00 0.00 . 1 579 53 . ATOM O O GLY * 90 . 59.633 -15.632 -1.494 1.00 0.00 . 1 580 53 . ATOM H H GLY * 90 . 57.761 -12.861 -3.998 1.00 0.00 . 1 581 53 . ATOM H 1HA GLY * 90 . 57.218 -14.923 -2.931 1.00 0.00 . 1 582 53 . ATOM H 2HA GLY * 90 . 58.528 -15.703 -3.820 1.00 0.00 . 1 583 54 . ATOM N N LEU * 91 . 59.435 -13.441 -1.663 1.00 0.00 . 1 584 54 . ATOM C CA LEU * 91 . 60.338 -13.212 -0.496 1.00 0.00 . 1 585 54 . ATOM C C LEU * 91 . 59.535 -13.163 0.812 1.00 0.00 . 1 586 54 . ATOM O O LEU * 91 . 58.470 -13.742 0.917 1.00 0.00 . 1 587 54 . ATOM C CB LEU * 91 . 60.998 -11.861 -0.769 1.00 0.00 . 1 588 54 . ATOM C CG LEU * 91 . 61.768 -11.890 -2.085 1.00 0.00 . 1 589 54 . ATOM C CD1 LEU * 91 . 62.402 -10.521 -2.286 1.00 0.00 . 1 590 54 . ATOM C CD2 LEU * 91 . 62.869 -12.956 -2.026 1.00 0.00 . 1 591 54 . ATOM H H LEU * 91 . 59.052 -12.672 -2.140 1.00 0.00 . 1 592 54 . ATOM H HA LEU * 91 . 61.088 -13.983 -0.446 1.00 0.00 . 1 593 54 . ATOM H 1HB LEU * 91 . 60.238 -11.096 -0.820 1.00 0.00 . 1 594 54 . ATOM H 2HB LEU * 91 . 61.684 -11.627 0.029 1.00 0.00 . 1 595 54 . ATOM H HG LEU * 91 . 61.091 -12.103 -2.900 1.00 0.00 . 1 596 54 . ATOM H 1HD1 LEU * 91 . 62.620 -10.087 -1.317 1.00 0.00 . 1 597 54 . ATOM H 2HD1 LEU * 91 . 63.316 -10.624 -2.851 1.00 0.00 . 1 598 54 . ATOM H 3HD1 LEU * 91 . 61.714 -9.883 -2.819 1.00 0.00 . 1 599 54 . ATOM H 1HD2 LEU * 91 . 63.149 -13.127 -0.997 1.00 0.00 . 1 600 54 . ATOM H 2HD2 LEU * 91 . 62.502 -13.876 -2.456 1.00 0.00 . 1 601 54 . ATOM H 3HD2 LEU * 91 . 63.730 -12.616 -2.582 1.00 0.00 . 1 602 55 . ATOM N N GLN * 92 . 60.043 -12.474 1.808 1.00 0.00 . 1 603 55 . ATOM C CA GLN * 92 . 59.318 -12.382 3.112 1.00 0.00 . 1 604 55 . ATOM C C GLN * 92 . 59.827 -11.174 3.918 1.00 0.00 . 1 605 55 . ATOM O O GLN * 92 . 60.965 -10.775 3.766 1.00 0.00 . 1 606 55 . ATOM C CB GLN * 92 . 59.630 -13.694 3.842 1.00 0.00 . 1 607 55 . ATOM C CG GLN * 92 . 61.144 -13.853 4.015 1.00 0.00 . 1 608 55 . ATOM C CD GLN * 92 . 61.430 -15.018 4.964 1.00 0.00 . 1 609 55 . ATOM O OE1 GLN * 92 . 60.686 -15.257 5.894 1.00 0.00 . 1 610 55 . ATOM N NE2 GLN * 92 . 62.486 -15.760 4.767 1.00 0.00 . 1 611 55 . ATOM H H GLN * 92 . 60.904 -12.014 1.696 1.00 0.00 . 1 612 55 . ATOM H HA GLN * 92 . 58.256 -12.299 2.944 1.00 0.00 . 1 613 55 . ATOM H 1HB GLN * 92 . 59.157 -13.685 4.813 1.00 0.00 . 1 614 55 . ATOM H 2HB GLN * 92 . 59.248 -14.524 3.266 1.00 0.00 . 1 615 55 . ATOM H 1HG GLN * 92 . 61.597 -14.050 3.054 1.00 0.00 . 1 616 55 . ATOM H 2HG GLN * 92 . 61.557 -12.945 4.428 1.00 0.00 . 1 617 55 . ATOM H 1HE2 GLN * 92 . 62.678 -16.509 5.369 1.00 0.00 . 1 618 55 . ATOM H 2HE2 GLN * 92 . 63.087 -15.568 4.017 1.00 0.00 . 1 619 56 . ATOM N N PRO * 93 . 58.971 -10.622 4.752 1.00 0.00 . 1 620 56 . ATOM C CA PRO * 93 . 59.370 -9.449 5.568 1.00 0.00 . 1 621 56 . ATOM C C PRO * 93 . 60.262 -9.884 6.735 1.00 0.00 . 1 622 56 . ATOM O O PRO * 93 . 61.153 -9.165 7.147 1.00 0.00 . 1 623 56 . ATOM C CB PRO * 93 . 58.043 -8.898 6.082 1.00 0.00 . 1 624 56 . ATOM C CG PRO * 93 . 57.103 -10.062 6.074 1.00 0.00 . 1 625 56 . ATOM C CD PRO * 93 . 57.576 -11.021 5.011 1.00 0.00 . 1 626 56 . ATOM H HA PRO * 93 . 59.867 -8.711 4.960 1.00 0.00 . 1 627 56 . ATOM H 1HB PRO * 93 . 58.162 -8.516 7.087 1.00 0.00 . 1 628 56 . ATOM H 2HB PRO * 93 . 57.678 -8.125 5.425 1.00 0.00 . 1 629 56 . ATOM H 1HG PRO * 93 . 57.112 -10.548 7.040 1.00 0.00 . 1 630 56 . ATOM H 2HG PRO * 93 . 56.104 -9.727 5.841 1.00 0.00 . 1 631 56 . ATOM H 1HD PRO * 93 . 57.532 -12.038 5.375 1.00 0.00 . 1 632 56 . ATOM H 2HD PRO * 93 . 56.986 -10.913 4.114 1.00 0.00 . 1 633 57 . ATOM N N GLU * 94 . 60.022 -11.053 7.271 1.00 0.00 . 1 634 57 . ATOM C CA GLU * 94 . 60.847 -11.543 8.420 1.00 0.00 . 1 635 57 . ATOM C C GLU * 94 . 62.327 -11.629 8.028 1.00 0.00 . 1 636 57 . ATOM O O GLU * 94 . 63.200 -11.588 8.875 1.00 0.00 . 1 637 57 . ATOM C CB GLU * 94 . 60.301 -12.936 8.743 1.00 0.00 . 1 638 57 . ATOM C CG GLU * 94 . 58.950 -12.805 9.448 1.00 0.00 . 1 639 57 . ATOM C CD GLU * 94 . 58.269 -14.173 9.505 1.00 0.00 . 1 640 57 . ATOM O OE1 GLU * 94 . 58.864 -15.088 10.052 1.00 0.00 . 1 641 57 . ATOM O OE2 GLU * 94 . 57.164 -14.284 9.000 1.00 0.00 . 1 642 57 . ATOM H H GLU * 94 . 59.293 -11.607 6.920 1.00 0.00 . 1 643 57 . ATOM H HA GLU * 94 . 60.723 -10.895 9.273 1.00 0.00 . 1 644 57 . ATOM H 1HB GLU * 94 . 60.177 -13.495 7.826 1.00 0.00 . 1 645 57 . ATOM H 2HB GLU * 94 . 60.994 -13.453 9.389 1.00 0.00 . 1 646 57 . ATOM H 1HG GLU * 94 . 59.104 -12.436 10.452 1.00 0.00 . 1 647 57 . ATOM H 2HG GLU * 94 . 58.324 -12.115 8.903 1.00 0.00 . 1 648 58 . ATOM N N CYS * 95 . 62.615 -11.754 6.756 1.00 0.00 . 1 649 58 . ATOM C CA CYS * 95 . 64.039 -11.851 6.313 1.00 0.00 . 1 650 58 . ATOM C C CYS * 95 . 64.486 -10.554 5.632 1.00 0.00 . 1 651 58 . ATOM O O CYS * 95 . 65.660 -10.236 5.603 1.00 0.00 . 1 652 58 . ATOM C CB CYS * 95 . 64.065 -13.013 5.320 1.00 0.00 . 1 653 58 . ATOM S SG CYS * 95 . 65.777 -13.532 5.043 1.00 0.00 . 1 654 58 . ATOM H H CYS * 95 . 61.895 -11.791 6.092 1.00 0.00 . 1 655 58 . ATOM H HA CYS * 95 . 64.678 -12.073 7.152 1.00 0.00 . 1 656 58 . ATOM H 1HB CYS * 95 . 63.499 -13.841 5.721 1.00 0.00 . 1 657 58 . ATOM H 2HB CYS * 95 . 63.629 -12.698 4.384 1.00 0.00 . 1 658 58 . ATOM H HG CYS * 95 . 66.260 -13.412 5.864 1.00 0.00 . 1 659 59 . ATOM N N CYS * 96 . 63.562 -9.807 5.080 1.00 0.00 . 1 660 59 . ATOM C CA CYS * 96 . 63.933 -8.534 4.395 1.00 0.00 . 1 661 59 . ATOM C C CYS * 96 . 63.728 -7.342 5.334 1.00 0.00 . 1 662 59 . ATOM O O CYS * 96 . 62.797 -7.309 6.117 1.00 0.00 . 1 663 59 . ATOM C CB CYS * 96 . 62.989 -8.443 3.197 1.00 0.00 . 1 664 59 . ATOM S SG CYS * 96 . 63.519 -9.611 1.921 1.00 0.00 . 1 665 59 . ATOM H H CYS * 96 . 62.624 -10.086 5.113 1.00 0.00 . 1 666 59 . ATOM H HA CYS * 96 . 64.955 -8.574 4.055 1.00 0.00 . 1 667 59 . ATOM H 1HB CYS * 96 . 61.984 -8.683 3.511 1.00 0.00 . 1 668 59 . ATOM H 2HB CYS * 96 . 63.011 -7.441 2.799 1.00 0.00 . 1 669 59 . ATOM H HG CYS * 96 . 63.808 -10.416 2.357 1.00 0.00 . 1 670 60 . ATOM N N ALA * 97 . 64.593 -6.363 5.256 1.00 0.00 . 1 671 60 . ATOM C CA ALA * 97 . 64.461 -5.163 6.135 1.00 0.00 . 1 672 60 . ATOM C C ALA * 97 . 64.375 -3.895 5.284 1.00 0.00 . 1 673 60 . ATOM O O ALA * 97 . 64.805 -3.875 4.146 1.00 0.00 . 1 674 60 . ATOM C CB ALA * 97 . 65.734 -5.148 6.978 1.00 0.00 . 1 675 60 . ATOM H H ALA * 97 . 65.332 -6.417 4.614 1.00 0.00 . 1 676 60 . ATOM H HA ALA * 97 . 63.596 -5.252 6.772 1.00 0.00 . 1 677 60 . ATOM H 1HB ALA * 97 . 66.507 -5.706 6.472 1.00 0.00 . 1 678 60 . ATOM H 2HB ALA * 97 . 66.059 -4.127 7.117 1.00 0.00 . 1 679 60 . ATOM H 3HB ALA * 97 . 65.535 -5.597 7.940 1.00 0.00 . 1 680 61 . ATOM N N VAL * 98 . 63.823 -2.839 5.826 1.00 0.00 . 1 681 61 . ATOM C CA VAL * 98 . 63.707 -1.573 5.050 1.00 0.00 . 1 682 61 . ATOM C C VAL * 98 . 64.819 -0.597 5.454 1.00 0.00 . 1 683 61 . ATOM O O VAL * 98 . 65.292 -0.610 6.575 1.00 0.00 . 1 684 61 . ATOM C CB VAL * 98 . 62.321 -1.016 5.399 1.00 0.00 . 1 685 61 . ATOM C CG1 VAL * 98 . 61.248 -2.030 4.997 1.00 0.00 . 1 686 61 . ATOM C CG2 VAL * 98 . 62.220 -0.738 6.905 1.00 0.00 . 1 687 61 . ATOM H H VAL * 98 . 63.483 -2.878 6.741 1.00 0.00 . 1 688 61 . ATOM H HA VAL * 98 . 63.761 -1.780 3.994 1.00 0.00 . 1 689 61 . ATOM H HB VAL * 98 . 62.161 -0.103 4.853 1.00 0.00 . 1 690 61 . ATOM H 1HG1 VAL * 98 . 61.466 -2.411 4.011 1.00 0.00 . 1 691 61 . ATOM H 2HG1 VAL * 98 . 61.242 -2.846 5.705 1.00 0.00 . 1 692 61 . ATOM H 3HG1 VAL * 98 . 60.281 -1.549 4.995 1.00 0.00 . 1 693 61 . ATOM H 1HG2 VAL * 98 . 63.208 -0.690 7.333 1.00 0.00 . 1 694 61 . ATOM H 2HG2 VAL * 98 . 61.717 0.204 7.061 1.00 0.00 . 1 695 61 . ATOM H 3HG2 VAL * 98 . 61.660 -1.528 7.384 1.00 0.00 . 1 696 62 . ATOM N N PHE * 99 . 65.240 0.242 4.544 1.00 0.00 . 1 697 62 . ATOM C CA PHE * 99 . 66.322 1.220 4.863 1.00 0.00 . 1 698 62 . ATOM C C PHE * 99 . 66.154 2.483 4.019 1.00 0.00 . 1 699 62 . ATOM O O PHE * 99 . 65.902 2.413 2.832 1.00 0.00 . 1 700 62 . ATOM C CB PHE * 99 . 67.623 0.505 4.498 1.00 0.00 . 1 701 62 . ATOM C CG PHE * 99 . 67.908 -0.574 5.514 1.00 0.00 . 1 702 62 . ATOM C CD1 PHE * 99 . 68.342 -0.228 6.798 1.00 0.00 . 1 703 62 . ATOM C CD2 PHE * 99 . 67.739 -1.921 5.171 1.00 0.00 . 1 704 62 . ATOM C CE1 PHE * 99 . 68.607 -1.229 7.741 1.00 0.00 . 1 705 62 . ATOM C CE2 PHE * 99 . 68.004 -2.922 6.113 1.00 0.00 . 1 706 62 . ATOM C CZ PHE * 99 . 68.438 -2.576 7.398 1.00 0.00 . 1 707 62 . ATOM H H PHE * 99 . 64.845 0.228 3.647 1.00 0.00 . 1 708 62 . ATOM H HA PHE * 99 . 66.315 1.462 5.914 1.00 0.00 . 1 709 62 . ATOM H 1HB PHE * 99 . 67.526 0.061 3.518 1.00 0.00 . 1 710 62 . ATOM H 2HB PHE * 99 . 68.435 1.216 4.492 1.00 0.00 . 1 711 62 . ATOM H HD1 PHE * 99 . 68.472 0.811 7.062 1.00 0.00 . 1 712 62 . ATOM H HD2 PHE * 99 . 67.403 -2.187 4.179 1.00 0.00 . 1 713 62 . ATOM H HE1 PHE * 99 . 68.942 -0.962 8.732 1.00 0.00 . 1 714 62 . ATOM H HE2 PHE * 99 . 67.874 -3.960 5.848 1.00 0.00 . 1 715 62 . ATOM H HZ PHE * 99 . 68.643 -3.348 8.125 1.00 0.00 . 1 716 63 . ATOM N N ARG * 100 . 66.297 3.637 4.620 1.00 0.00 . 1 717 63 . ATOM C CA ARG * 100 . 66.152 4.905 3.847 1.00 0.00 . 1 718 63 . ATOM C C ARG * 100 . 67.516 5.322 3.278 1.00 0.00 . 1 719 63 . ATOM O O ARG * 100 . 68.549 5.007 3.838 1.00 0.00 . 1 720 63 . ATOM C CB ARG * 100 . 65.611 5.933 4.856 1.00 0.00 . 1 721 63 . ATOM C CG ARG * 100 . 66.655 6.231 5.941 1.00 0.00 . 1 722 63 . ATOM C CD ARG * 100 . 66.184 7.415 6.790 1.00 0.00 . 1 723 63 . ATOM N NE ARG * 100 . 66.540 8.631 5.995 1.00 0.00 . 1 724 63 . ATOM C CZ ARG * 100 . 65.964 9.795 6.224 1.00 0.00 . 1 725 63 . ATOM N NH1 ARG * 100 . 65.055 9.941 7.161 1.00 0.00 . 1 726 63 . ATOM N NH2 ARG * 100 . 66.306 10.827 5.503 1.00 0.00 . 1 727 63 . ATOM H H ARG * 100 . 66.504 3.667 5.576 1.00 0.00 . 1 728 63 . ATOM H HA ARG * 100 . 65.442 4.770 3.046 1.00 0.00 . 1 729 63 . ATOM H 1HB ARG * 100 . 65.360 6.846 4.338 1.00 0.00 . 1 730 63 . ATOM H 2HB ARG * 100 . 64.723 5.537 5.323 1.00 0.00 . 1 731 63 . ATOM H 1HG ARG * 100 . 66.779 5.363 6.571 1.00 0.00 . 1 732 63 . ATOM H 2HG ARG * 100 . 67.598 6.478 5.478 1.00 0.00 . 1 733 63 . ATOM H 1HD ARG * 100 . 65.115 7.362 6.944 1.00 0.00 . 1 734 63 . ATOM H 2HD ARG * 100 . 66.701 7.428 7.737 1.00 0.00 . 1 735 63 . ATOM H HE ARG * 100 . 67.216 8.563 5.288 1.00 0.00 . 1 736 63 . ATOM H 1HH1 ARG * 100 . 64.779 9.165 7.725 1.00 0.00 . 1 737 63 . ATOM H 2HH1 ARG * 100 . 64.636 10.837 7.310 1.00 0.00 . 1 738 63 . ATOM H 1HH2 ARG * 100 . 66.998 10.730 4.787 1.00 0.00 . 1 739 63 . ATOM H 2HH2 ARG * 100 . 65.877 11.716 5.666 1.00 0.00 . 1 740 64 . ATOM N N LEU * 101 . 67.529 6.017 2.165 1.00 0.00 . 1 741 64 . ATOM C CA LEU * 101 . 68.831 6.445 1.550 1.00 0.00 . 1 742 64 . ATOM C C LEU * 101 . 69.720 7.154 2.581 1.00 0.00 . 1 743 64 . ATOM O O LEU * 101 . 69.243 7.886 3.428 1.00 0.00 . 1 744 64 . ATOM C CB LEU * 101 . 68.447 7.415 0.432 1.00 0.00 . 1 745 64 . ATOM C CG LEU * 101 . 69.692 7.781 -0.375 1.00 0.00 . 1 746 64 . ATOM C CD1 LEU * 101 . 70.195 6.546 -1.126 1.00 0.00 . 1 747 64 . ATOM C CD2 LEU * 101 . 69.342 8.881 -1.380 1.00 0.00 . 1 748 64 . ATOM H H LEU * 101 . 66.683 6.251 1.727 1.00 0.00 . 1 749 64 . ATOM H HA LEU * 101 . 69.345 5.591 1.134 1.00 0.00 . 1 750 64 . ATOM H 1HB LEU * 101 . 67.722 6.947 -0.217 1.00 0.00 . 1 751 64 . ATOM H 2HB LEU * 101 . 68.022 8.310 0.860 1.00 0.00 . 1 752 64 . ATOM H HG LEU * 101 . 70.464 8.134 0.294 1.00 0.00 . 1 753 64 . ATOM H 1HD1 LEU * 101 . 69.370 5.871 -1.300 1.00 0.00 . 1 754 64 . ATOM H 2HD1 LEU * 101 . 70.619 6.848 -2.072 1.00 0.00 . 1 755 64 . ATOM H 3HD1 LEU * 101 . 70.949 6.048 -0.535 1.00 0.00 . 1 756 64 . ATOM H 1HD2 LEU * 101 . 68.296 8.811 -1.639 1.00 0.00 . 1 757 64 . ATOM H 2HD2 LEU * 101 . 69.540 9.847 -0.939 1.00 0.00 . 1 758 64 . ATOM H 3HD2 LEU * 101 . 69.942 8.761 -2.270 1.00 0.00 . 1 759 65 . ATOM N N LEU * 102 . 71.011 6.938 2.512 1.00 0.00 . 1 760 65 . ATOM C CA LEU * 102 . 71.946 7.591 3.484 1.00 0.00 . 1 761 65 . ATOM C C LEU * 102 . 71.782 9.115 3.455 1.00 0.00 . 1 762 65 . ATOM O O LEU * 102 . 72.254 9.781 2.553 1.00 0.00 . 1 763 65 . ATOM C CB LEU * 102 . 73.350 7.206 3.011 1.00 0.00 . 1 764 65 . ATOM C CG LEU * 102 . 73.655 5.769 3.432 1.00 0.00 . 1 765 65 . ATOM C CD1 LEU * 102 . 73.290 4.814 2.295 1.00 0.00 . 1 766 65 . ATOM C CD2 LEU * 102 . 75.147 5.637 3.747 1.00 0.00 . 1 767 65 . ATOM H H LEU * 102 . 71.365 6.340 1.820 1.00 0.00 . 1 768 65 . ATOM H HA LEU * 102 . 71.778 7.213 4.479 1.00 0.00 . 1 769 65 . ATOM H 1HB LEU * 102 . 73.401 7.285 1.935 1.00 0.00 . 1 770 65 . ATOM H 2HB LEU * 102 . 74.074 7.872 3.456 1.00 0.00 . 1 771 65 . ATOM H HG LEU * 102 . 73.076 5.522 4.310 1.00 0.00 . 1 772 65 . ATOM H 1HD1 LEU * 102 . 73.484 5.293 1.346 1.00 0.00 . 1 773 65 . ATOM H 2HD1 LEU * 102 . 73.884 3.916 2.374 1.00 0.00 . 1 774 65 . ATOM H 3HD1 LEU * 102 . 72.242 4.560 2.361 1.00 0.00 . 1 775 65 . ATOM H 1HD2 LEU * 102 . 75.717 6.217 3.037 1.00 0.00 . 1 776 65 . ATOM H 2HD2 LEU * 102 . 75.337 6.002 4.746 1.00 0.00 . 1 777 65 . ATOM H 3HD2 LEU * 102 . 75.438 4.599 3.682 1.00 0.00 . 1 778 66 . ATOM N N GLN * 103 . 71.119 9.666 4.440 1.00 0.00 . 1 779 66 . ATOM C CA GLN * 103 . 70.924 11.147 4.481 1.00 0.00 . 1 780 66 . ATOM C C GLN * 103 . 72.240 11.840 4.853 1.00 0.00 . 1 781 66 . ATOM O O GLN * 103 . 72.372 12.414 5.916 1.00 0.00 . 1 782 66 . ATOM C CB GLN * 103 . 69.857 11.387 5.557 1.00 0.00 . 1 783 66 . ATOM C CG GLN * 103 . 70.324 10.818 6.905 1.00 0.00 . 1 784 66 . ATOM C CD GLN * 103 . 70.001 11.811 8.025 1.00 0.00 . 1 785 66 . ATOM O OE1 GLN * 103 . 70.613 12.856 8.121 1.00 0.00 . 1 786 66 . ATOM N NE2 GLN * 103 . 69.059 11.525 8.882 1.00 0.00 . 1 787 66 . ATOM H H GLN * 103 . 70.752 9.105 5.154 1.00 0.00 . 1 788 66 . ATOM H HA GLN * 103 . 70.570 11.504 3.527 1.00 0.00 . 1 789 66 . ATOM H 1HB GLN * 103 . 69.683 12.447 5.653 1.00 0.00 . 1 790 66 . ATOM H 2HB GLN * 103 . 68.939 10.900 5.264 1.00 0.00 . 1 791 66 . ATOM H 1HG GLN * 103 . 69.816 9.884 7.095 1.00 0.00 . 1 792 66 . ATOM H 2HG GLN * 103 . 71.390 10.647 6.876 1.00 0.00 . 1 793 66 . ATOM H 1HE2 GLN * 103 . 68.845 12.154 9.602 1.00 0.00 . 1 794 66 . ATOM H 2HE2 GLN * 103 . 68.566 10.682 8.804 1.00 0.00 . 1 795 67 . ATOM N N GLU * 104 . 73.218 11.785 3.979 1.00 0.00 . 1 796 67 . ATOM C CA GLU * 104 . 74.543 12.433 4.262 1.00 0.00 . 1 797 67 . ATOM C C GLU * 104 . 75.115 11.926 5.593 1.00 0.00 . 1 798 67 . ATOM O O GLU * 104 . 75.275 12.677 6.538 1.00 0.00 . 1 799 67 . ATOM C CB GLU * 104 . 74.259 13.938 4.332 1.00 0.00 . 1 800 67 . ATOM C CG GLU * 104 . 75.569 14.712 4.172 1.00 0.00 . 1 801 67 . ATOM C CD GLU * 104 . 75.476 16.037 4.931 1.00 0.00 . 1 802 67 . ATOM O OE1 GLU * 104 . 75.673 16.022 6.134 1.00 0.00 . 1 803 67 . ATOM O OE2 GLU * 104 . 75.208 17.043 4.295 1.00 0.00 . 1 804 67 . ATOM H H GLU * 104 . 73.083 11.313 3.130 1.00 0.00 . 1 805 67 . ATOM H HA GLU * 104 . 75.234 12.229 3.460 1.00 0.00 . 1 806 67 . ATOM H 1HB GLU * 104 . 73.579 14.213 3.539 1.00 0.00 . 1 807 67 . ATOM H 2HB GLU * 104 . 73.816 14.178 5.286 1.00 0.00 . 1 808 67 . ATOM H 1HG GLU * 104 . 76.385 14.125 4.569 1.00 0.00 . 1 809 67 . ATOM H 2HG GLU * 104 . 75.745 14.911 3.125 1.00 0.00 . 1 810 68 . ATOM N N HIS * 105 . 75.423 10.656 5.667 1.00 0.00 . 1 811 68 . ATOM C CA HIS * 105 . 75.985 10.087 6.929 1.00 0.00 . 1 812 68 . ATOM C C HIS * 105 . 77.390 9.530 6.677 1.00 0.00 . 1 813 68 . ATOM O O HIS * 105 . 78.063 9.923 5.743 1.00 0.00 . 1 814 68 . ATOM C CB HIS * 105 . 75.021 8.963 7.317 1.00 0.00 . 1 815 68 . ATOM C CG HIS * 105 . 74.872 8.920 8.814 1.00 0.00 . 1 816 68 . ATOM N ND1 HIS * 105 . 73.786 8.319 9.431 1.00 0.00 . 1 817 68 . ATOM C CD2 HIS * 105 . 75.662 9.398 9.829 1.00 0.00 . 1 818 68 . ATOM C CE1 HIS * 105 . 73.951 8.450 10.760 1.00 0.00 . 1 819 68 . ATOM N NE2 HIS * 105 . 75.079 9.100 11.057 1.00 0.00 . 1 820 68 . ATOM H H HIS * 105 . 75.284 10.075 4.891 1.00 0.00 . 1 821 68 . ATOM H HA HIS * 105 . 76.009 10.837 7.703 1.00 0.00 . 1 822 68 . ATOM H 1HB HIS * 105 . 74.057 9.145 6.865 1.00 0.00 . 1 823 68 . ATOM H 2HB HIS * 105 . 75.409 8.019 6.968 1.00 0.00 . 1 824 68 . ATOM H HD1 HIS * 105 . 73.034 7.879 8.981 1.00 0.00 . 1 825 68 . ATOM H HD2 HIS * 105 . 76.595 9.925 9.696 1.00 0.00 . 1 826 68 . ATOM H HE1 HIS * 105 . 73.256 8.074 11.497 1.00 0.00 . 1 827 69 . ATOM N N LYS * 106 . 77.835 8.618 7.506 1.00 0.00 . 1 828 69 . ATOM C CA LYS * 106 . 79.199 8.032 7.320 1.00 0.00 . 1 829 69 . ATOM C C LYS * 106 . 79.269 7.265 5.995 1.00 0.00 . 1 830 69 . ATOM O O LYS * 106 . 79.836 7.736 5.027 1.00 0.00 . 1 831 69 . ATOM C CB LYS * 106 . 79.397 7.082 8.506 1.00 0.00 . 1 832 69 . ATOM C CG LYS * 106 . 80.139 7.812 9.627 1.00 0.00 . 1 833 69 . ATOM C CD LYS * 106 . 80.849 6.791 10.519 1.00 0.00 . 1 834 69 . ATOM C CE LYS * 106 . 82.281 6.585 10.020 1.00 0.00 . 1 835 69 . ATOM N NZ LYS * 106 . 82.866 5.571 10.940 1.00 0.00 . 1 836 69 . ATOM H H LYS * 106 . 77.271 8.321 8.251 1.00 0.00 . 1 837 69 . ATOM H HA LYS * 106 . 79.947 8.809 7.343 1.00 0.00 . 1 838 69 . ATOM H 1HB LYS * 106 . 78.433 6.752 8.866 1.00 0.00 . 1 839 69 . ATOM H 2HB LYS * 106 . 79.976 6.228 8.190 1.00 0.00 . 1 840 69 . ATOM H 1HG LYS * 106 . 80.867 8.485 9.198 1.00 0.00 . 1 841 69 . ATOM H 2HG LYS * 106 . 79.433 8.375 10.220 1.00 0.00 . 1 842 69 . ATOM H 1HD LYS * 106 . 80.870 7.155 11.536 1.00 0.00 . 1 843 69 . ATOM H 2HD LYS * 106 . 80.319 5.851 10.483 1.00 0.00 . 1 844 69 . ATOM H 1HE LYS * 106 . 82.274 6.216 9.003 1.00 0.00 . 1 845 69 . ATOM H 2HE LYS * 106 . 82.838 7.507 10.083 1.00 0.00 . 1 846 69 . ATOM H 1HZ LYS * 106 . 82.769 5.896 11.922 1.00 0.00 . 1 847 69 . ATOM H 2HZ LYS * 106 . 82.364 4.668 10.825 1.00 0.00 . 1 848 69 . ATOM H 3HZ LYS * 106 . 83.874 5.440 10.715 1.00 0.00 . 1 849 70 . ATOM N N GLY * 107 . 78.696 6.087 5.946 1.00 0.00 . 1 850 70 . ATOM C CA GLY * 107 . 78.726 5.286 4.686 1.00 0.00 . 1 851 70 . ATOM C C GLY * 107 . 77.845 4.045 4.842 1.00 0.00 . 1 852 70 . ATOM O O GLY * 107 . 78.141 2.994 4.307 1.00 0.00 . 1 853 70 . ATOM H H GLY * 107 . 78.247 5.731 6.740 1.00 0.00 . 1 854 70 . ATOM H 1HA GLY * 107 . 78.358 5.890 3.869 1.00 0.00 . 1 855 70 . ATOM H 2HA GLY * 107 . 79.740 4.979 4.479 1.00 0.00 . 1 856 71 . ATOM N N LYS * 108 . 76.763 4.161 5.571 1.00 0.00 . 1 857 71 . ATOM C CA LYS * 108 . 75.855 2.991 5.766 1.00 0.00 . 1 858 71 . ATOM C C LYS * 108 . 74.392 3.426 5.626 1.00 0.00 . 1 859 71 . ATOM O O LYS * 108 . 74.010 4.493 6.068 1.00 0.00 . 1 860 71 . ATOM C CB LYS * 108 . 76.142 2.492 7.187 1.00 0.00 . 1 861 71 . ATOM C CG LYS * 108 . 75.874 3.610 8.202 1.00 0.00 . 1 862 71 . ATOM C CD LYS * 108 . 76.049 3.064 9.621 1.00 0.00 . 1 863 71 . ATOM C CE LYS * 108 . 75.272 3.941 10.605 1.00 0.00 . 1 864 71 . ATOM N NZ LYS * 108 . 73.949 3.273 10.753 1.00 0.00 . 1 865 71 . ATOM H H LYS * 108 . 76.548 5.019 5.990 1.00 0.00 . 1 866 71 . ATOM H HA LYS * 108 . 76.085 2.216 5.052 1.00 0.00 . 1 867 71 . ATOM H 1HB LYS * 108 . 75.504 1.648 7.406 1.00 0.00 . 1 868 71 . ATOM H 2HB LYS * 108 . 77.175 2.188 7.257 1.00 0.00 . 1 869 71 . ATOM H 1HG LYS * 108 . 76.571 4.419 8.037 1.00 0.00 . 1 870 71 . ATOM H 2HG LYS * 108 . 74.865 3.973 8.080 1.00 0.00 . 1 871 71 . ATOM H 1HD LYS * 108 . 75.675 2.052 9.665 1.00 0.00 . 1 872 71 . ATOM H 2HD LYS * 108 . 77.096 3.073 9.883 1.00 0.00 . 1 873 71 . ATOM H 1HE LYS * 108 . 75.784 3.982 11.556 1.00 0.00 . 1 874 71 . ATOM H 2HE LYS * 108 . 75.142 4.934 10.203 1.00 0.00 . 1 875 71 . ATOM H 1HZ LYS * 108 . 73.483 3.216 9.825 1.00 0.00 . 1 876 71 . ATOM H 2HZ LYS * 108 . 74.084 2.314 11.130 1.00 0.00 . 1 877 71 . ATOM H 3HZ LYS * 108 . 73.354 3.823 11.407 1.00 0.00 . 1 878 72 . ATOM N N LYS * 109 . 73.573 2.605 5.016 1.00 0.00 . 1 879 72 . ATOM C CA LYS * 109 . 72.128 2.963 4.843 1.00 0.00 . 1 880 72 . ATOM C C LYS * 109 . 71.477 3.223 6.207 1.00 0.00 . 1 881 72 . ATOM O O LYS * 109 . 71.866 2.650 7.207 1.00 0.00 . 1 882 72 . ATOM C CB LYS * 109 . 71.483 1.749 4.161 1.00 0.00 . 1 883 72 . ATOM C CG LYS * 109 . 71.682 0.490 5.021 1.00 0.00 . 1 884 72 . ATOM C CD LYS * 109 . 72.677 -0.455 4.339 1.00 0.00 . 1 885 72 . ATOM C CE LYS * 109 . 73.518 -1.168 5.402 1.00 0.00 . 1 886 72 . ATOM N NZ LYS * 109 . 73.630 -2.574 4.923 1.00 0.00 . 1 887 72 . ATOM H H LYS * 109 . 73.909 1.751 4.671 1.00 0.00 . 1 888 72 . ATOM H HA LYS * 109 . 72.030 3.832 4.211 1.00 0.00 . 1 889 72 . ATOM H 1HB LYS * 109 . 70.426 1.931 4.035 1.00 0.00 . 1 890 72 . ATOM H 2HB LYS * 109 . 71.938 1.600 3.193 1.00 0.00 . 1 891 72 . ATOM H 1HG LYS * 109 . 72.062 0.771 5.993 1.00 0.00 . 1 892 72 . ATOM H 2HG LYS * 109 . 70.736 -0.016 5.139 1.00 0.00 . 1 893 72 . ATOM H 1HD LYS * 109 . 72.136 -1.187 3.757 1.00 0.00 . 1 894 72 . ATOM H 2HD LYS * 109 . 73.327 0.113 3.691 1.00 0.00 . 1 895 72 . ATOM H 1HE LYS * 109 . 74.496 -0.713 5.473 1.00 0.00 . 1 896 72 . ATOM H 2HE LYS * 109 . 73.019 -1.142 6.358 1.00 0.00 . 1 897 72 . ATOM H 1HZ LYS * 109 . 72.684 -2.941 4.699 1.00 0.00 . 1 898 72 . ATOM H 2HZ LYS * 109 . 74.222 -2.604 4.070 1.00 0.00 . 1 899 72 . ATOM H 3HZ LYS * 109 . 74.063 -3.159 5.667 1.00 0.00 . 1 900 73 . ATOM N N ALA * 110 . 70.493 4.085 6.250 1.00 0.00 . 1 901 73 . ATOM C CA ALA * 110 . 69.815 4.388 7.545 1.00 0.00 . 1 902 73 . ATOM C C ALA * 110 . 68.639 3.431 7.762 1.00 0.00 . 1 903 73 . ATOM O O ALA * 110 . 68.003 2.993 6.822 1.00 0.00 . 1 904 73 . ATOM C CB ALA * 110 . 69.321 5.830 7.409 1.00 0.00 . 1 905 73 . ATOM H H ALA * 110 . 70.201 4.533 5.429 1.00 0.00 . 1 906 73 . ATOM H HA ALA * 110 . 70.516 4.315 8.361 1.00 0.00 . 1 907 73 . ATOM H 1HB ALA * 110 . 69.343 6.122 6.369 1.00 0.00 . 1 908 73 . ATOM H 2HB ALA * 110 . 68.310 5.902 7.782 1.00 0.00 . 1 909 73 . ATOM H 3HB ALA * 110 . 69.963 6.485 7.979 1.00 0.00 . 1 910 74 . ATOM N N ARG * 111 . 68.350 3.105 8.996 1.00 0.00 . 1 911 74 . ATOM C CA ARG * 111 . 67.216 2.173 9.286 1.00 0.00 . 1 912 74 . ATOM C C ARG * 111 . 65.878 2.865 9.018 1.00 0.00 . 1 913 74 . ATOM O O ARG * 111 . 65.807 4.074 8.899 1.00 0.00 . 1 914 74 . ATOM C CB ARG * 111 . 67.349 1.825 10.774 1.00 0.00 . 1 915 74 . ATOM C CG ARG * 111 . 67.186 0.314 10.973 1.00 0.00 . 1 916 74 . ATOM C CD ARG * 111 . 68.564 -0.338 11.120 1.00 0.00 . 1 917 74 . ATOM N NE ARG * 111 . 68.806 -0.411 12.595 1.00 0.00 . 1 918 74 . ATOM C CZ ARG * 111 . 69.702 -1.233 13.106 1.00 0.00 . 1 919 74 . ATOM N NH1 ARG * 111 . 70.424 -2.023 12.345 1.00 0.00 . 1 920 74 . ATOM N NH2 ARG * 111 . 69.876 -1.262 14.399 1.00 0.00 . 1 921 74 . ATOM H H ARG * 111 . 68.881 3.473 9.734 1.00 0.00 . 1 922 74 . ATOM H HA ARG * 111 . 67.303 1.279 8.688 1.00 0.00 . 1 923 74 . ATOM H 1HB ARG * 111 . 68.321 2.134 11.129 1.00 0.00 . 1 924 74 . ATOM H 2HB ARG * 111 . 66.582 2.342 11.334 1.00 0.00 . 1 925 74 . ATOM H 1HG ARG * 111 . 66.604 0.130 11.864 1.00 0.00 . 1 926 74 . ATOM H 2HG ARG * 111 . 66.680 -0.111 10.119 1.00 0.00 . 1 927 74 . ATOM H 1HD ARG * 111 . 68.557 -1.330 10.689 1.00 0.00 . 1 928 74 . ATOM H 2HD ARG * 111 . 69.321 0.271 10.652 1.00 0.00 . 1 929 74 . ATOM H HE ARG * 111 . 68.288 0.165 13.196 1.00 0.00 . 1 930 74 . ATOM H 1HH1 ARG * 111 . 70.308 -2.016 11.353 1.00 0.00 . 1 931 74 . ATOM H 2HH1 ARG * 111 . 71.096 -2.636 12.762 1.00 0.00 . 1 932 74 . ATOM H 1HH2 ARG * 111 . 69.333 -0.665 14.990 1.00 0.00 . 1 933 74 . ATOM H 2HH2 ARG * 111 . 70.552 -1.881 14.799 1.00 0.00 . 1 934 75 . ATOM N N LEU * 112 . 64.818 2.104 8.930 1.00 0.00 . 1 935 75 . ATOM C CA LEU * 112 . 63.475 2.706 8.679 1.00 0.00 . 1 936 75 . ATOM C C LEU * 112 . 62.385 1.844 9.321 1.00 0.00 . 1 937 75 . ATOM O O LEU * 112 . 62.461 0.629 9.317 1.00 0.00 . 1 938 75 . ATOM C CB LEU * 112 . 63.316 2.724 7.151 1.00 0.00 . 1 939 75 . ATOM C CG LEU * 112 . 62.876 4.117 6.682 1.00 0.00 . 1 940 75 . ATOM C CD1 LEU * 112 . 62.697 4.106 5.164 1.00 0.00 . 1 941 75 . ATOM C CD2 LEU * 112 . 61.544 4.495 7.341 1.00 0.00 . 1 942 75 . ATOM H H LEU * 112 . 64.905 1.134 9.036 1.00 0.00 . 1 943 75 . ATOM H HA LEU * 112 . 63.436 3.711 9.067 1.00 0.00 . 1 944 75 . ATOM H 1HB LEU * 112 . 64.260 2.474 6.690 1.00 0.00 . 1 945 75 . ATOM H 2HB LEU * 112 . 62.572 1.998 6.856 1.00 0.00 . 1 946 75 . ATOM H HG LEU * 112 . 63.632 4.841 6.950 1.00 0.00 . 1 947 75 . ATOM H 1HD1 LEU * 112 . 63.411 3.426 4.723 1.00 0.00 . 1 948 75 . ATOM H 2HD1 LEU * 112 . 61.696 3.782 4.923 1.00 0.00 . 1 949 75 . ATOM H 3HD1 LEU * 112 . 62.858 5.100 4.775 1.00 0.00 . 1 950 75 . ATOM H 1HD2 LEU * 112 . 60.861 3.661 7.276 1.00 0.00 . 1 951 75 . ATOM H 2HD2 LEU * 112 . 61.714 4.740 8.379 1.00 0.00 . 1 952 75 . ATOM H 3HD2 LEU * 112 . 61.121 5.349 6.834 1.00 0.00 . 1 953 76 . ATOM N N ASP * 113 . 61.370 2.465 9.865 1.00 0.00 . 1 954 76 . ATOM C CA ASP * 113 . 60.266 1.687 10.503 1.00 0.00 . 1 955 76 . ATOM C C ASP * 113 . 59.462 0.944 9.430 1.00 0.00 . 1 956 76 . ATOM O O ASP * 113 . 59.586 1.219 8.251 1.00 0.00 . 1 957 76 . ATOM C CB ASP * 113 . 59.392 2.727 11.216 1.00 0.00 . 1 958 76 . ATOM C CG ASP * 113 . 58.880 3.764 10.210 1.00 0.00 . 1 959 76 . ATOM O OD1 ASP * 113 . 59.673 4.587 9.783 1.00 0.00 . 1 960 76 . ATOM O OD2 ASP * 113 . 57.706 3.714 9.884 1.00 0.00 . 1 961 76 . ATOM H H ASP * 113 . 61.331 3.444 9.849 1.00 0.00 . 1 962 76 . ATOM H HA ASP * 113 . 60.666 0.989 11.221 1.00 0.00 . 1 963 76 . ATOM H 1HB ASP * 113 . 58.553 2.232 11.678 1.00 0.00 . 1 964 76 . ATOM H 2HB ASP * 113 . 59.977 3.226 11.975 1.00 0.00 . 1 965 77 . ATOM N N TRP * 114 . 58.642 0.008 9.832 1.00 0.00 . 1 966 77 . ATOM C CA TRP * 114 . 57.827 -0.758 8.841 1.00 0.00 . 1 967 77 . ATOM C C TRP * 114 . 56.429 -0.142 8.720 1.00 0.00 . 1 968 77 . ATOM O O TRP * 114 . 55.454 -0.841 8.513 1.00 0.00 . 1 969 77 . ATOM C CB TRP * 114 . 57.739 -2.181 9.412 1.00 0.00 . 1 970 77 . ATOM C CG TRP * 114 . 58.571 -3.116 8.590 1.00 0.00 . 1 971 77 . ATOM C CD1 TRP * 114 . 59.665 -3.776 9.035 1.00 0.00 . 1 972 77 . ATOM C CD2 TRP * 114 . 58.394 -3.507 7.198 1.00 0.00 . 1 973 77 . ATOM N NE1 TRP * 114 . 60.171 -4.547 8.004 1.00 0.00 . 1 974 77 . ATOM C CE2 TRP * 114 . 59.422 -4.415 6.851 1.00 0.00 . 1 975 77 . ATOM C CE3 TRP * 114 . 57.451 -3.166 6.210 1.00 0.00 . 1 976 77 . ATOM C CZ2 TRP * 114 . 59.512 -4.966 5.573 1.00 0.00 . 1 977 77 . ATOM C CZ3 TRP * 114 . 57.539 -3.719 4.922 1.00 0.00 . 1 978 77 . ATOM C CH2 TRP * 114 . 58.568 -4.617 4.604 1.00 0.00 . 1 979 77 . ATOM H H TRP * 114 . 58.562 -0.193 10.788 1.00 0.00 . 1 980 77 . ATOM H HA TRP * 114 . 58.316 -0.771 7.880 1.00 0.00 . 1 981 77 . ATOM H 1HB TRP * 114 . 58.101 -2.183 10.430 1.00 0.00 . 1 982 77 . ATOM H 2HB TRP * 114 . 56.711 -2.512 9.398 1.00 0.00 . 1 983 77 . ATOM H HD1 TRP * 114 . 60.076 -3.711 10.031 1.00 0.00 . 1 984 77 . ATOM H HE1 TRP * 114 . 60.962 -5.123 8.064 1.00 0.00 . 1 985 77 . ATOM H HE3 TRP * 114 . 56.654 -2.474 6.444 1.00 0.00 . 1 986 77 . ATOM H HZ2 TRP * 114 . 60.307 -5.658 5.333 1.00 0.00 . 1 987 77 . ATOM H HZ3 TRP * 114 . 56.811 -3.450 4.172 1.00 0.00 . 1 988 77 . ATOM H HH2 TRP * 114 . 58.630 -5.038 3.612 1.00 0.00 . 1 989 78 . ATOM N N ASN * 115 . 56.324 1.158 8.852 1.00 0.00 . 1 990 78 . ATOM C CA ASN * 115 . 54.986 1.813 8.748 1.00 0.00 . 1 991 78 . ATOM C C ASN * 115 . 55.125 3.293 8.371 1.00 0.00 . 1 992 78 . ATOM O O ASN * 115 . 54.237 4.084 8.631 1.00 0.00 . 1 993 78 . ATOM C CB ASN * 115 . 54.372 1.674 10.141 1.00 0.00 . 1 994 78 . ATOM C CG ASN * 115 . 53.507 0.413 10.195 1.00 0.00 . 1 995 78 . ATOM O OD1 ASN * 115 . 53.934 -0.610 10.692 1.00 0.00 . 1 996 78 . ATOM N ND2 ASN * 115 . 52.299 0.443 9.701 1.00 0.00 . 1 997 78 . ATOM H H ASN * 115 . 57.122 1.699 9.022 1.00 0.00 . 1 998 78 . ATOM H HA ASN * 115 . 54.372 1.299 8.026 1.00 0.00 . 1 999 78 . ATOM H 1HB ASN * 115 . 55.161 1.602 10.876 1.00 0.00 . 1 1000 78 . ATOM H 2HB ASN * 115 . 53.759 2.537 10.353 1.00 0.00 . 1 1001 78 . ATOM H 1HD2 ASN * 115 . 51.738 -0.359 9.731 1.00 0.00 . 1 1002 78 . ATOM H 2HD2 ASN * 115 . 51.955 1.268 9.301 1.00 0.00 . 1 1003 79 . ATOM N N THR * 116 . 56.220 3.673 7.756 1.00 0.00 . 1 1004 79 . ATOM C CA THR * 116 . 56.391 5.105 7.362 1.00 0.00 . 1 1005 79 . ATOM C C THR * 116 . 55.535 5.406 6.126 1.00 0.00 . 1 1006 79 . ATOM O O THR * 116 . 55.131 4.508 5.412 1.00 0.00 . 1 1007 79 . ATOM C CB THR * 116 . 57.889 5.285 7.069 1.00 0.00 . 1 1008 79 . ATOM O OG1 THR * 116 . 58.144 6.647 6.758 1.00 0.00 . 1 1009 79 . ATOM C CG2 THR * 116 . 58.318 4.408 5.889 1.00 0.00 . 1 1010 79 . ATOM H H THR * 116 . 56.920 3.020 7.550 1.00 0.00 . 1 1011 79 . ATOM H HA THR * 116 . 56.099 5.749 8.178 1.00 0.00 . 1 1012 79 . ATOM H HB THR * 116 . 58.459 5.006 7.942 1.00 0.00 . 1 1013 79 . ATOM H HG1 THR * 116 . 57.789 7.186 7.469 1.00 0.00 . 1 1014 79 . ATOM H 1HG2 THR * 116 . 57.623 4.537 5.073 1.00 0.00 . 1 1015 79 . ATOM H 2HG2 THR * 116 . 59.309 4.699 5.567 1.00 0.00 . 1 1016 79 . ATOM H 3HG2 THR * 116 . 58.328 3.373 6.194 1.00 0.00 . 1 1017 80 . ATOM N N ASP * 117 . 55.248 6.658 5.880 1.00 0.00 . 1 1018 80 . ATOM C CA ASP * 117 . 54.405 7.019 4.700 1.00 0.00 . 1 1019 80 . ATOM C C ASP * 117 . 55.274 7.247 3.461 1.00 0.00 . 1 1020 80 . ATOM O O ASP * 117 . 56.066 8.170 3.409 1.00 0.00 . 1 1021 80 . ATOM C CB ASP * 117 . 53.698 8.313 5.103 1.00 0.00 . 1 1022 80 . ATOM C CG ASP * 117 . 52.353 7.980 5.751 1.00 0.00 . 1 1023 80 . ATOM O OD1 ASP * 117 . 51.538 7.358 5.091 1.00 0.00 . 1 1024 80 . ATOM O OD2 ASP * 117 . 52.161 8.354 6.896 1.00 0.00 . 1 1025 80 . ATOM H H ASP * 117 . 55.579 7.361 6.477 1.00 0.00 . 1 1026 80 . ATOM H HA ASP * 117 . 53.676 6.248 4.510 1.00 0.00 . 1 1027 80 . ATOM H 1HB ASP * 117 . 54.314 8.855 5.806 1.00 0.00 . 1 1028 80 . ATOM H 2HB ASP * 117 . 53.532 8.921 4.226 1.00 0.00 . 1 1029 81 . ATOM N N ALA * 118 . 55.120 6.419 2.458 1.00 0.00 . 1 1030 81 . ATOM C CA ALA * 118 . 55.923 6.590 1.209 1.00 0.00 . 1 1031 81 . ATOM C C ALA * 118 . 55.412 7.803 0.427 1.00 0.00 . 1 1032 81 . ATOM O O ALA * 118 . 56.151 8.437 -0.303 1.00 0.00 . 1 1033 81 . ATOM C CB ALA * 118 . 55.709 5.305 0.408 1.00 0.00 . 1 1034 81 . ATOM H H ALA * 118 . 54.467 5.690 2.524 1.00 0.00 . 1 1035 81 . ATOM H HA ALA * 118 . 56.969 6.708 1.447 1.00 0.00 . 1 1036 81 . ATOM H 1HB ALA * 118 . 55.892 4.450 1.041 1.00 0.00 . 1 1037 81 . ATOM H 2HB ALA * 118 . 54.693 5.273 0.043 1.00 0.00 . 1 1038 81 . ATOM H 3HB ALA * 118 . 56.393 5.287 -0.429 1.00 0.00 . 1 1039 82 . ATOM N N ALA * 119 . 54.153 8.135 0.585 1.00 0.00 . 1 1040 82 . ATOM C CA ALA * 119 . 53.587 9.317 -0.137 1.00 0.00 . 1 1041 82 . ATOM C C ALA * 119 . 54.220 10.619 0.376 1.00 0.00 . 1 1042 82 . ATOM O O ALA * 119 . 54.078 11.664 -0.232 1.00 0.00 . 1 1043 82 . ATOM C CB ALA * 119 . 52.091 9.290 0.159 1.00 0.00 . 1 1044 82 . ATOM H H ALA * 119 . 53.583 7.611 1.185 1.00 0.00 . 1 1045 82 . ATOM H HA ALA * 119 . 53.751 9.217 -1.199 1.00 0.00 . 1 1046 82 . ATOM H 1HB ALA * 119 . 51.713 8.291 -0.008 1.00 0.00 . 1 1047 82 . ATOM H 2HB ALA * 119 . 51.921 9.574 1.186 1.00 0.00 . 1 1048 82 . ATOM H 3HB ALA * 119 . 51.585 9.983 -0.497 1.00 0.00 . 1 1049 83 . ATOM N N SER * 120 . 54.930 10.564 1.478 1.00 0.00 . 1 1050 83 . ATOM C CA SER * 120 . 55.594 11.788 2.011 1.00 0.00 . 1 1051 83 . ATOM C C SER * 120 . 57.108 11.689 1.777 1.00 0.00 . 1 1052 83 . ATOM O O SER * 120 . 57.808 12.684 1.762 1.00 0.00 . 1 1053 83 . ATOM C CB SER * 120 . 55.273 11.803 3.505 1.00 0.00 . 1 1054 83 . ATOM O OG SER * 120 . 55.088 13.146 3.932 1.00 0.00 . 1 1055 83 . ATOM H H SER * 120 . 55.041 9.716 1.950 1.00 0.00 . 1 1056 83 . ATOM H HA SER * 120 . 55.196 12.670 1.533 1.00 0.00 . 1 1057 83 . ATOM H 1HB SER * 120 . 54.370 11.245 3.687 1.00 0.00 . 1 1058 83 . ATOM H 2HB SER * 120 . 56.090 11.350 4.051 1.00 0.00 . 1 1059 83 . ATOM H HG SER * 120 . 54.526 13.135 4.710 1.00 0.00 . 1 1060 84 . ATOM N N LEU * 121 . 57.611 10.492 1.580 1.00 0.00 . 1 1061 84 . ATOM C CA LEU * 121 . 59.069 10.310 1.329 1.00 0.00 . 1 1062 84 . ATOM C C LEU * 121 . 59.370 10.407 -0.174 1.00 0.00 . 1 1063 84 . ATOM O O LEU * 121 . 60.517 10.473 -0.571 1.00 0.00 . 1 1064 84 . ATOM C CB LEU * 121 . 59.371 8.903 1.834 1.00 0.00 . 1 1065 84 . ATOM C CG LEU * 121 . 60.863 8.777 2.141 1.00 0.00 . 1 1066 84 . ATOM C CD1 LEU * 121 . 61.219 9.682 3.323 1.00 0.00 . 1 1067 84 . ATOM C CD2 LEU * 121 . 61.188 7.325 2.496 1.00 0.00 . 1 1068 84 . ATOM H H LEU * 121 . 57.027 9.709 1.588 1.00 0.00 . 1 1069 84 . ATOM H HA LEU * 121 . 59.645 11.034 1.882 1.00 0.00 . 1 1070 84 . ATOM H 1HB LEU * 121 . 58.799 8.713 2.730 1.00 0.00 . 1 1071 84 . ATOM H 2HB LEU * 121 . 59.098 8.187 1.074 1.00 0.00 . 1 1072 84 . ATOM H HG LEU * 121 . 61.436 9.075 1.275 1.00 0.00 . 1 1073 84 . ATOM H 1HD1 LEU * 121 . 60.344 9.830 3.938 1.00 0.00 . 1 1074 84 . ATOM H 2HD1 LEU * 121 . 61.998 9.219 3.910 1.00 0.00 . 1 1075 84 . ATOM H 3HD1 LEU * 121 . 61.565 10.636 2.954 1.00 0.00 . 1 1076 84 . ATOM H 1HD2 LEU * 121 . 60.308 6.848 2.903 1.00 0.00 . 1 1077 84 . ATOM H 2HD2 LEU * 121 . 61.504 6.799 1.608 1.00 0.00 . 1 1078 84 . ATOM H 3HD2 LEU * 121 . 61.981 7.302 3.229 1.00 0.00 . 1 1079 85 . ATOM N N ILE * 122 . 58.345 10.412 -1.012 1.00 0.00 . 1 1080 85 . ATOM C CA ILE * 122 . 58.543 10.509 -2.509 1.00 0.00 . 1 1081 85 . ATOM C C ILE * 122 . 59.610 11.574 -2.834 1.00 0.00 . 1 1082 85 . ATOM O O ILE * 122 . 59.783 12.535 -2.109 1.00 0.00 . 1 1083 85 . ATOM C CB ILE * 122 . 57.133 10.825 -3.143 1.00 0.00 . 1 1084 85 . ATOM C CG1 ILE * 122 . 57.273 11.572 -4.500 1.00 0.00 . 1 1085 85 . ATOM C CG2 ILE * 122 . 56.212 11.635 -2.197 1.00 0.00 . 1 1086 85 . ATOM C CD1 ILE * 122 . 57.547 13.069 -4.282 1.00 0.00 . 1 1087 85 . ATOM H H ILE * 122 . 57.444 10.348 -0.656 1.00 0.00 . 1 1088 85 . ATOM H HA ILE * 122 . 58.886 9.550 -2.882 1.00 0.00 . 1 1089 85 . ATOM H HB ILE * 122 . 56.646 9.878 -3.334 1.00 0.00 . 1 1090 85 . ATOM H 1HG1 ILE * 122 . 58.091 11.143 -5.058 1.00 0.00 . 1 1091 85 . ATOM H 2HG1 ILE * 122 . 56.360 11.456 -5.064 1.00 0.00 . 1 1092 85 . ATOM H 1HG2 ILE * 122 . 56.803 12.112 -1.430 1.00 0.00 . 1 1093 85 . ATOM H 2HG2 ILE * 122 . 55.682 12.387 -2.763 1.00 0.00 . 1 1094 85 . ATOM H 3HG2 ILE * 122 . 55.501 10.964 -1.738 1.00 0.00 . 1 1095 85 . ATOM H 1HD1 ILE * 122 . 57.795 13.234 -3.241 1.00 0.00 . 1 1096 85 . ATOM H 2HD1 ILE * 122 . 58.372 13.380 -4.904 1.00 0.00 . 1 1097 85 . ATOM H 3HD1 ILE * 122 . 56.665 13.638 -4.537 1.00 0.00 . 1 1098 86 . ATOM N N GLY * 123 . 60.342 11.372 -3.896 1.00 0.00 . 1 1099 86 . ATOM C CA GLY * 123 . 61.427 12.327 -4.257 1.00 0.00 . 1 1100 86 . ATOM C C GLY * 123 . 62.759 11.692 -3.856 1.00 0.00 . 1 1101 86 . ATOM O O GLY * 123 . 63.766 11.856 -4.518 1.00 0.00 . 1 1102 86 . ATOM H H GLY * 123 . 60.197 10.571 -4.442 1.00 0.00 . 1 1103 86 . ATOM H 1HA GLY * 123 . 61.412 12.511 -5.322 1.00 0.00 . 1 1104 86 . ATOM H 2HA GLY * 123 . 61.294 13.254 -3.722 1.00 0.00 . 1 1105 87 . ATOM N N GLU * 124 . 62.754 10.946 -2.778 1.00 0.00 . 1 1106 87 . ATOM C CA GLU * 124 . 63.994 10.263 -2.316 1.00 0.00 . 1 1107 87 . ATOM C C GLU * 124 . 63.954 8.796 -2.753 1.00 0.00 . 1 1108 87 . ATOM O O GLU * 124 . 63.142 8.411 -3.579 1.00 0.00 . 1 1109 87 . ATOM C CB GLU * 124 . 63.963 10.374 -0.791 1.00 0.00 . 1 1110 87 . ATOM C CG GLU * 124 . 64.791 11.582 -0.349 1.00 0.00 . 1 1111 87 . ATOM C CD GLU * 124 . 64.655 11.770 1.163 1.00 0.00 . 1 1112 87 . ATOM O OE1 GLU * 124 . 65.266 11.005 1.891 1.00 0.00 . 1 1113 87 . ATOM O OE2 GLU * 124 . 63.944 12.675 1.566 1.00 0.00 . 1 1114 87 . ATOM H H GLU * 124 . 61.921 10.824 -2.278 1.00 0.00 . 1 1115 87 . ATOM H HA GLU * 124 . 64.869 10.755 -2.709 1.00 0.00 . 1 1116 87 . ATOM H 1HB GLU * 124 . 62.941 10.495 -0.460 1.00 0.00 . 1 1117 87 . ATOM H 2HB GLU * 124 . 64.378 9.477 -0.356 1.00 0.00 . 1 1118 87 . ATOM H 1HG GLU * 124 . 65.829 11.419 -0.602 1.00 0.00 . 1 1119 87 . ATOM H 2HG GLU * 124 . 64.433 12.467 -0.853 1.00 0.00 . 1 1120 88 . ATOM N N GLU * 125 . 64.818 7.972 -2.212 1.00 0.00 . 1 1121 88 . ATOM C CA GLU * 125 . 64.816 6.531 -2.615 1.00 0.00 . 1 1122 88 . ATOM C C GLU * 125 . 64.960 5.623 -1.391 1.00 0.00 . 1 1123 88 . ATOM O O GLU * 125 . 65.884 5.754 -0.611 1.00 0.00 . 1 1124 88 . ATOM C CB GLU * 125 . 66.022 6.348 -3.553 1.00 0.00 . 1 1125 88 . ATOM C CG GLU * 125 . 66.048 7.443 -4.628 1.00 0.00 . 1 1126 88 . ATOM C CD GLU * 125 . 67.058 7.070 -5.716 1.00 0.00 . 1 1127 88 . ATOM O OE1 GLU * 125 . 68.059 6.455 -5.384 1.00 0.00 . 1 1128 88 . ATOM O OE2 GLU * 125 . 66.815 7.406 -6.863 1.00 0.00 . 1 1129 88 . ATOM H H GLU * 125 . 65.463 8.299 -1.551 1.00 0.00 . 1 1130 88 . ATOM H HA GLU * 125 . 63.907 6.296 -3.142 1.00 0.00 . 1 1131 88 . ATOM H 1HB GLU * 125 . 66.934 6.392 -2.977 1.00 0.00 . 1 1132 88 . ATOM H 2HB GLU * 125 . 65.950 5.383 -4.035 1.00 0.00 . 1 1133 88 . ATOM H 1HG GLU * 125 . 65.067 7.541 -5.064 1.00 0.00 . 1 1134 88 . ATOM H 2HG GLU * 125 . 66.338 8.381 -4.179 1.00 0.00 . 1 1135 89 . ATOM N N LEU * 126 . 64.056 4.692 -1.235 1.00 0.00 . 1 1136 89 . ATOM C CA LEU * 126 . 64.130 3.748 -0.083 1.00 0.00 . 1 1137 89 . ATOM C C LEU * 126 . 64.839 2.468 -0.532 1.00 0.00 . 1 1138 89 . ATOM O O LEU * 126 . 64.827 2.131 -1.700 1.00 0.00 . 1 1139 89 . ATOM C CB LEU * 126 . 62.671 3.463 0.289 1.00 0.00 . 1 1140 89 . ATOM C CG LEU * 126 . 62.608 2.462 1.456 1.00 0.00 . 1 1141 89 . ATOM C CD1 LEU * 126 . 61.688 3.002 2.552 1.00 0.00 . 1 1142 89 . ATOM C CD2 LEU * 126 . 62.064 1.119 0.958 1.00 0.00 . 1 1143 89 . ATOM H H LEU * 126 . 63.331 4.604 -1.889 1.00 0.00 . 1 1144 89 . ATOM H HA LEU * 126 . 64.647 4.200 0.749 1.00 0.00 . 1 1145 89 . ATOM H 1HB LEU * 126 . 62.192 4.388 0.577 1.00 0.00 . 1 1146 89 . ATOM H 2HB LEU * 126 . 62.160 3.050 -0.568 1.00 0.00 . 1 1147 89 . ATOM H HG LEU * 126 . 63.597 2.318 1.865 1.00 0.00 . 1 1148 89 . ATOM H 1HD1 LEU * 126 . 61.919 4.041 2.737 1.00 0.00 . 1 1149 89 . ATOM H 2HD1 LEU * 126 . 60.659 2.913 2.235 1.00 0.00 . 1 1150 89 . ATOM H 3HD1 LEU * 126 . 61.836 2.434 3.458 1.00 0.00 . 1 1151 89 . ATOM H 1HD2 LEU * 126 . 61.197 1.290 0.338 1.00 0.00 . 1 1152 89 . ATOM H 2HD2 LEU * 126 . 62.825 0.614 0.382 1.00 0.00 . 1 1153 89 . ATOM H 3HD2 LEU * 126 . 61.788 0.506 1.803 1.00 0.00 . 1 1154 90 . ATOM N N GLN * 127 . 65.462 1.761 0.376 1.00 0.00 . 1 1155 90 . ATOM C CA GLN * 127 . 66.174 0.509 -0.016 1.00 0.00 . 1 1156 90 . ATOM C C GLN * 127 . 65.790 -0.641 0.918 1.00 0.00 . 1 1157 90 . ATOM O O GLN * 127 . 65.381 -0.430 2.044 1.00 0.00 . 1 1158 90 . ATOM C CB GLN * 127 . 67.663 0.840 0.119 1.00 0.00 . 1 1159 90 . ATOM C CG GLN * 127 . 68.492 -0.405 -0.206 1.00 0.00 . 1 1160 90 . ATOM C CD GLN * 127 . 69.790 0.007 -0.903 1.00 0.00 . 1 1161 90 . ATOM O OE1 GLN * 127 . 70.551 0.796 -0.379 1.00 0.00 . 1 1162 90 . ATOM N NE2 GLN * 127 . 70.078 -0.499 -2.071 1.00 0.00 . 1 1163 90 . ATOM H H GLN * 127 . 65.465 2.053 1.312 1.00 0.00 . 1 1164 90 . ATOM H HA GLN * 127 . 65.947 0.253 -1.038 1.00 0.00 . 1 1165 90 . ATOM H 1HB GLN * 127 . 67.918 1.634 -0.568 1.00 0.00 . 1 1166 90 . ATOM H 2HB GLN * 127 . 67.872 1.155 1.130 1.00 0.00 . 1 1167 90 . ATOM H 1HG GLN * 127 . 68.719 -0.929 0.710 1.00 0.00 . 1 1168 90 . ATOM H 2HG GLN * 127 . 67.921 -1.052 -0.857 1.00 0.00 . 1 1169 90 . ATOM H 1HE2 GLN * 127 . 70.907 -0.241 -2.525 1.00 0.00 . 1 1170 90 . ATOM H 2HE2 GLN * 127 . 69.464 -1.135 -2.494 1.00 0.00 . 1 1171 91 . ATOM N N VAL * 128 . 65.919 -1.857 0.447 1.00 0.00 . 1 1172 91 . ATOM C CA VAL * 128 . 65.561 -3.032 1.296 1.00 0.00 . 1 1173 91 . ATOM C C VAL * 128 . 66.518 -4.193 1.021 1.00 0.00 . 1 1174 91 . ATOM O O VAL * 128 . 66.918 -4.424 -0.104 1.00 0.00 . 1 1175 91 . ATOM C CB VAL * 128 . 64.136 -3.400 0.883 1.00 0.00 . 1 1176 91 . ATOM C CG1 VAL * 128 . 63.632 -4.546 1.758 1.00 0.00 . 1 1177 91 . ATOM C CG2 VAL * 128 . 63.227 -2.182 1.064 1.00 0.00 . 1 1178 91 . ATOM H H VAL * 128 . 66.244 -1.996 -0.468 1.00 0.00 . 1 1179 91 . ATOM H HA VAL * 128 . 65.585 -2.763 2.340 1.00 0.00 . 1 1180 91 . ATOM H HB VAL * 128 . 64.127 -3.707 -0.153 1.00 0.00 . 1 1181 91 . ATOM H 1HG1 VAL * 128 . 64.473 -5.130 2.103 1.00 0.00 . 1 1182 91 . ATOM H 2HG1 VAL * 128 . 63.101 -4.144 2.608 1.00 0.00 . 1 1183 91 . ATOM H 3HG1 VAL * 128 . 62.969 -5.175 1.182 1.00 0.00 . 1 1184 91 . ATOM H 1HG2 VAL * 128 . 63.349 -1.790 2.062 1.00 0.00 . 1 1185 91 . ATOM H 2HG2 VAL * 128 . 63.503 -1.423 0.344 1.00 0.00 . 1 1186 91 . ATOM H 3HG2 VAL * 128 . 62.199 -2.471 0.910 1.00 0.00 . 1 1187 92 . ATOM N N ASP * 129 . 66.886 -4.924 2.043 1.00 0.00 . 1 1188 92 . ATOM C CA ASP * 129 . 67.817 -6.075 1.851 1.00 0.00 . 1 1189 92 . ATOM C C ASP * 129 . 67.540 -7.158 2.896 1.00 0.00 . 1 1190 92 . ATOM O O ASP * 129 . 66.579 -7.082 3.639 1.00 0.00 . 1 1191 92 . ATOM C CB ASP * 129 . 69.217 -5.489 2.041 1.00 0.00 . 1 1192 92 . ATOM C CG ASP * 129 . 70.187 -6.158 1.066 1.00 0.00 . 1 1193 92 . ATOM O OD1 ASP * 129 . 70.080 -5.894 -0.120 1.00 0.00 . 1 1194 92 . ATOM O OD2 ASP * 129 . 71.021 -6.923 1.522 1.00 0.00 . 1 1195 92 . ATOM H H ASP * 129 . 66.548 -4.714 2.938 1.00 0.00 . 1 1196 92 . ATOM H HA ASP * 129 . 67.717 -6.478 0.856 1.00 0.00 . 1 1197 92 . ATOM H 1HB ASP * 129 . 69.190 -4.426 1.852 1.00 0.00 . 1 1198 92 . ATOM H 2HB ASP * 129 . 69.547 -5.668 3.054 1.00 0.00 . 1 1199 93 . ATOM N N PHE * 130 . 68.376 -8.163 2.957 1.00 0.00 . 1 1200 93 . ATOM C CA PHE * 130 . 68.169 -9.257 3.951 1.00 0.00 . 1 1201 93 . ATOM C C PHE * 130 . 68.827 -8.892 5.285 1.00 0.00 . 1 1202 93 . ATOM O O PHE * 130 . 70.038 -8.851 5.398 1.00 0.00 . 1 1203 93 . ATOM C CB PHE * 130 . 68.844 -10.484 3.337 1.00 0.00 . 1 1204 93 . ATOM C CG PHE * 130 . 67.937 -11.088 2.292 1.00 0.00 . 1 1205 93 . ATOM C CD1 PHE * 130 . 66.628 -11.455 2.627 1.00 0.00 . 1 1206 93 . ATOM C CD2 PHE * 130 . 68.405 -11.281 0.986 1.00 0.00 . 1 1207 93 . ATOM C CE1 PHE * 130 . 65.788 -12.015 1.658 1.00 0.00 . 1 1208 93 . ATOM C CE2 PHE * 130 . 67.565 -11.841 0.017 1.00 0.00 . 1 1209 93 . ATOM C CZ PHE * 130 . 66.256 -12.208 0.353 1.00 0.00 . 1 1210 93 . ATOM H H PHE * 130 . 69.141 -8.198 2.346 1.00 0.00 . 1 1211 93 . ATOM H HA PHE * 130 . 67.117 -9.447 4.089 1.00 0.00 . 1 1212 93 . ATOM H 1HB PHE * 130 . 69.777 -10.189 2.879 1.00 0.00 . 1 1213 93 . ATOM H 2HB PHE * 130 . 69.037 -11.213 4.110 1.00 0.00 . 1 1214 93 . ATOM H HD1 PHE * 130 . 66.267 -11.305 3.634 1.00 0.00 . 1 1215 93 . ATOM H HD2 PHE * 130 . 69.415 -10.998 0.727 1.00 0.00 . 1 1216 93 . ATOM H HE1 PHE * 130 . 64.778 -12.297 1.917 1.00 0.00 . 1 1217 93 . ATOM H HE2 PHE * 130 . 67.926 -11.990 -0.990 1.00 0.00 . 1 1218 93 . ATOM H HZ PHE * 130 . 65.607 -12.640 -0.395 1.00 0.00 . 1 1219 94 . ATOM N N LEU * 131 . 68.034 -8.628 6.292 1.00 0.00 . 1 1220 94 . ATOM C CA LEU * 131 . 68.606 -8.263 7.625 1.00 0.00 . 1 1221 94 . ATOM C C LEU * 131 . 69.418 -9.432 8.193 1.00 0.00 . 1 1222 94 . ATOM O O LEU * 131 . 70.001 -9.264 9.251 1.00 0.00 . 1 1223 94 . ATOM C CB LEU * 131 . 67.396 -7.955 8.519 1.00 0.00 . 1 1224 94 . ATOM C CG LEU * 131 . 66.482 -9.184 8.610 1.00 0.00 . 1 1225 94 . ATOM C CD1 LEU * 131 . 66.812 -9.973 9.878 1.00 0.00 . 1 1226 94 . ATOM C CD2 LEU * 131 . 65.021 -8.730 8.660 1.00 0.00 . 1 1227 94 . ATOM O OXT LEU * 131 . 69.442 -10.474 7.558 1.00 0.00 . 1 1228 94 . ATOM H H LEU * 131 . 67.062 -8.669 6.170 1.00 0.00 . 1 1229 94 . ATOM H HA LEU * 131 . 69.227 -7.386 7.536 1.00 0.00 . 1 1230 94 . ATOM H 1HB LEU * 131 . 67.741 -7.689 9.507 1.00 0.00 . 1 1231 94 . ATOM H 2HB LEU * 131 . 66.843 -7.129 8.098 1.00 0.00 . 1 1232 94 . ATOM H HG LEU * 131 . 66.636 -9.813 7.746 1.00 0.00 . 1 1233 94 . ATOM H 1HD1 LEU * 131 . 67.047 -9.288 10.678 1.00 0.00 . 1 1234 94 . ATOM H 2HD1 LEU * 131 . 65.960 -10.576 10.158 1.00 0.00 . 1 1235 94 . ATOM H 3HD1 LEU * 131 . 67.661 -10.615 9.692 1.00 0.00 . 1 1236 94 . ATOM H 1HD2 LEU * 131 . 64.824 -8.057 7.839 1.00 0.00 . 1 1237 94 . ATOM H 2HD2 LEU * 131 . 64.374 -9.592 8.583 1.00 0.00 . 1 1238 94 . ATOM H 3HD2 LEU * 131 . 64.833 -8.222 9.595 1.00 0.00 . 1 1239 #94 . TER # . . LEU * 131 . . . . . . . 1 1240 #################### # # # DATABASE_2 # # # #################### _database_2.database_id PDB _database_2.database_code 1RRB #################### # # # DATABASE_PDB_REV # # # #################### loop_ _database_PDB_rev.date_original _database_PDB_rev.num _database_PDB_rev.date _database_PDB_rev.mod_type _database_PDB_rev.status _database_PDB_rev.replaced_by _database_PDB_rev.replaces 1998-03-26 1 1999-03-30 0 . . . #################### # # # STRUCT_BIOL # # # #################### loop_ _struct_biol.id _struct_biol.details 1RRB 'TRANSFERASE ' * . loop_ _struct_biol_gen.biol_id _struct_biol_gen.asym_id _struct_biol_gen.symmetry _struct_biol_gen.details 1RRB * 1_555 . * * 1_555 . #################### # # # STRUCT_CONF # # # #################### loop_ _struct_conf_type.id _struct_conf_type.criteria _struct_conf_type.reference HELX_RH_AL_P 'From PDB' . loop_ _struct_conf.id _struct_conf.conf_type_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_auth_seq_id _struct_conf.details _struct_conf.beg_label_seq_id _struct_conf.end_label_seq_id helix_H1 HELX_RH_AL_P LEU * 78 ARG * 89 'RIGHT-HANDED ALPHA HELIX' 41 52 helix_H2 HELX_RH_AL_P ALA * 118 LEU * 121 'RIGHT-HANDED ALPHA HELIX' 81 84 ################ # # # STRUCT_SHEET # # # ################ loop_ _struct_sheet.id _struct_sheet.number_strands S 5 loop_ _struct_sheet_hbond.sheet_id _struct_sheet_hbond.range_id_1 _struct_sheet_hbond.range_id_2 _struct_sheet_hbond.range_1_beg_auth_seq_id _struct_sheet_hbond.range_1_beg_label_atom_id _struct_sheet_hbond.range_2_beg_auth_seq_id _struct_sheet_hbond.range_2_beg_label_atom_id _struct_sheet_hbond.range_1_end_auth_seq_id _struct_sheet_hbond.range_1_end_label_atom_id _struct_sheet_hbond.range_2_end_auth_seq_id _struct_sheet_hbond.range_2_end_label_atom_id _struct_sheet_hbond.range_1_beg_label_seq_id _struct_sheet_hbond.range_2_beg_label_seq_id _struct_sheet_hbond.range_1_end_label_seq_id _struct_sheet_hbond.range_2_end_label_seq_id S 1_S 2_S 66 O 62 N 66 O 62 N 29 25 29 25 S 2_S 3_S 59 O 126 N 59 O 126 N 22 89 22 89 S 3_S 4_S 127 O 99 N 127 O 99 N 90 62 90 62 S 4_S 5_S 100 O 110 N 100 O 110 N 63 73 63 73 loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense S 1_S 2_S +1 anti-parallel S 2_S 3_S +1 parallel S 3_S 4_S +1 anti-parallel S 4_S 5_S +1 anti-parallel loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_auth_seq_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.end_label_seq_id S 1_S GLN * 66 ASN * 71 29 34 S 2_S THR * 57 LEU * 62 20 25 S 3_S GLU * 125 ASP * 129 88 92 S 4_S CYS * 96 LEU * 101 59 64 S 5_S LYS * 109 LEU * 112 72 75 ############################################### # This file was converted automatically from # # PDB format to mmCIF format by the program # # pdb2cif version 2.3.7 07 Mar 1999 # # by # # Phil Bourne, Herbert J. Bernstein and # # Frances C. Bernstein # # # # This work was supported in part by IUCr # # (for HJB), US NSF, PHS, NIH, NCRR, NIGMS, # # NLM and DOE (for FCB prior to 1998), and # # and NSFgrant no. BIR 9310154 (for PEB) # # # # # # Conversion from PDB format to mmCIF is a # # complex process. This file should be # # reviewed carefully before use. # # # # Even though the authors of pdb2cif have # # made a good faith effort to ensure that # # pdb2cif performs according to its # # documentation, and we would greatly # # appreciate hearing of any problems you # # may encounter, the program pdb2cif and # # any files created by pdb2cif are provided # # **AS IS** without any warrantee as to # # correctness, merchantability or fitness # # for any particular or general use. # # # # THE RESPONSIBILITY FOR ANY ADVERSE # # CONSEQUENCES FROM THE USE OF THE PROGRAM # # PDB2CIF OR ANY FILE OR FILES CREATED BY # # LIES SOLELY WITH THE USERS OF THE PROGRAM # # AND FILE OR FILES AND NOT WITH AUTHORS OF # # PDB2CIF # # # # The program pdb2cif is available from # # http://www.bernstein-plus-sons.com # # /software/pdb2cif or # # the IUCr and its mirrors (see # # http://www.iucr.org/iucr-top/cif # # /software/pdb2cif) or # # SDSC (see # # http://www.sdsc.edu/pb/pdb2cif/pdb2cif) or # # NDB and its mirrors (see # # http://ndbserver.rutgers.edu/mmcif # # /software/pdb2cif) # # and the NDB mirror sites # # # # See H. Bernstein, F. Bernstein, # # P. E. Bourne CIF Applications. VIII. # # pdb2cif: Translating PDB Entries into # # mmCIF Format, J. Appl. Cryst., 31, # # 1998, pp 282-295. # # # # Please report problems to: # # pdb2cif@bernstein-plus-sons.com # # # ############################################### # REMARK records parsed = 65;# specified by PDB = 65 # FTNOTE records parsed = 0;# specified by PDB = 0 # HET records parsed = 0;# specified by PDB = 0 # HELIX records parsed = 2;# specified by PDB = 2 # SHEET records parsed = 5;# specified by PDB = 5 # TURN records parsed = 0;# specified by PDB = 0 # SITE records parsed = 0;# specified by PDB = 0 # AT+HET records parsed = 1239;# specified by PDB = 1239 # TER records parsed = 1;# specified by PDB = 1 # CONECT records parsed = 0;# specified by PDB = 0 # SEQRES records parsed = 9;# specified by PDB = 9 # Total of 1363 records processed from PDB file #=# EXPTL: Non-enumerated method: nmr, 1 structure #=# DATABASE_PDB_REMARK: Only text in columns 12-70 retained #=# CELL: The volume is 1, may be model or NMR, read REMARKs #=# ATOM_SITE: Only 71% homology to chain *