################################################### # # # Converted from PDB format to CIF format by # # pdb2cif version 2.3.6 15 Jun 98 # # by # # P.E. Bourne, H.J. Bernstein and F.C. Bernstein # # # # *** See the remarks at the end of this *** # # *** file for information on conversion *** # # *** of this entry and on the program *** # # *** pdb2cif *** # ################################################### data_4HIR _entry.id 4HIR ################## # # # STRUCT # # # ################## loop_ _struct.entry_id _struct.title 4HIR ; Compound:: Hirudin (Mutant With Lys 47 Replaced By Glu) (K47E) (NMR,32 Simulated Annealing Structures) Source:: Leech (Hirudo medicinalis) Recombinant In (Escherichia coli) Using Chemically Synthesized Gene ; _exptl.entry_id 4HIR _exptl.method 'nmr' #################### # # # AUDIT_AUTHOR # # # #################### loop_ _audit_author.name 'Clore, G.M.' 'Gronenborn, A.M.' 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 ; Solution Structure Of Recombinant Hirudin And The Lys-47 (Right Arrow) Glu Mutant. A Nuclear Magnetic Resonance And Hybrid Distance Geometry-Dynamical Simulated Annealing Study ; US 'BIOCHEMISTRY ' 28 ? 2601 1989 'BICHAW ' '0006-2960 ' 033 ? ? ? ? loop_ _citation_author.citation_id _citation_author.name primary 'Folkers, P.J.M.' primary 'Clore, G.M.' primary 'Driscoll, P.C.' primary 'Dodt, J.' primary 'Koehler, S.' primary 'Gronenborn, A.M.' loop_ _database_PDB_remark.id _database_PDB_remark.text 3 ; REFINEMENT. THE METHOD USED TO DETERMINE AND REFINE THE STRUCTURE IS THE HYBRID METRIC MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD (M.NILGES, G.M.CLORE, A.M. GRONENBORN, FEBS LETT. 229, 317-324 (1988)) USING THE PROGRAM XPLOR (A.T. BRUENGER, YALE UNIVERSITY, CT 06511). STRUCTURAL STATISTICS - THESE ARE CALCULATED FROM ALL THE 32 MODELS GIVEN IN THIS ENTRY. NUMBERS ENCLOSED IN PARENTHESIS ARE THE STANDARD DEVIATIONS. RMS DEVIATION FROM EXPERIMENTAL RESTRAINTS *(1)* RESTRAINT TYPE NUMBER OF RESTRAINTS RMS (ANGSTROMS) ALL 677 0.077 INTERRESIDUE SHORT RANGE 234 0.092 INTERRESIDUE LONG RANGE 199 0.066 INTRARESIDUE 228 0.067 HBOND *(2)* 16 0.083 POTENTIAL ENERGY TERMS TYPE ENERGY (KCAL/MOL) F(NOE) *(3)* 201 F(TOR) *(4)* 12 F(REPEL) *(5)* 42 LENNARD-JONES VAN DER WAALS ENERGY (E(L-J)) CALCULATED USING THE *CHARMM* EMPIRICAL ENERGY FUNCTION IS -66 KCAL/MOL. DEVIATIONS FROM IDEALIZED GEOMETRY *(6)* TYPE TOTAL NUMBER RMS DEVIATION BONDS 669 0.011 (ANGSTROMS) ANGLES 1208 2.754 (DEGREES) IMPROPERS 132 0.609 (DEGREES) NOTES. *(1)* THE RMS DEVIATION FROM THE EXPERIMENTAL RESTRAINTS ARE CALCULATED WITH RESPECT TO THE UPPER AND LOWER LIMITS OF THE DISTANCE RESTRAINTS. NONE OF THE STRUCTURES EXHIBITED VIOLATIONS GREATER THAN 0.5 ANGSTROMS. *(2)* FOR EACH BACKBONE HYDROGEN BOND THERE ARE TWO RESTRAINTS - R(NH-O) .LT. 2.3 ANGSTROMS AND R(N-O) .LT. 3.3 ANGSTROMS. THE LOWER LIMITS ARE GIVEN BY THE SUM OF THE VAN DER WAALS RADII OF THE RELEVANT ATOMS. *(3)* THE VALUES OF THE SQUARE-WELL NOE POTENTIAL F(NOE) ARE CALCULATED WITH A FORCE CONSTANT OF 50 KCAL/MOL/ANGSTROM**2. *(4)* THE VALUES OF F(PHI) ARE CALCULATED WITH A FORCE CONSTANT OF 200 KCAL/MOL/RAD**2. F(PHI) IS A SQUARE-WELL DIHEDRAL POTENTIAL WHICH IS USED TO RESTRICT THE RANGES OF 26 PHI AND 25 CHI1 TORSION ANGLES. *(5)* THE VALUE OF THE VAN DER WAALS REPULSION TERM F(REPEL) IS CALCULATED WITH A FORCE CONSTANT OF 4 KCAL/MOL/ANGSTROM**4 WITH THE HARD SPHERE VAN DER WAALS RADII SET TO 0.8 TIMES THE STANDARD VALUES USED IN THE *CHARMM* EMPIRICAL ENERGY FUNCTION. *(6)* THE IMPROPER TERMS SERVE TO MAINTAIN PLANARITY AND APPROPRIATE CHIRALITY. THEY ALSO MAINTAIN THE PEPTIDE BONDS OF ALL RESIDUES (WITH THE EXCEPTION OF PROLINES) IN THE TRANS CONFORMATION. IN THE DYNAMICAL SIMULATED ANNEALING CALCULATIONS, THE RESTRAINTS FOR THE DISULFIDE BRIDGES ARE INCLUDED IN THE BOND AND ANGLE TERMS. ; 4 ; THESE COORDINATES 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 OBVIOUSLY MEANINGLESS. ; 5 ; ALTOGETHER, 32 STRUCTURES CONSISTENT WITH THE NMR DATA WERE CALCULATED. THE COORDINATES FOR THESE STRUCTURES ARE DELINEATED IN THIS ENTRY BY THE PROTEIN DATA BANK KEYWORDS *MODEL* AND *ENDMDL*. ENTRY *6HIR* CONTAINS THE COORDINATES FOR THE MINIMIZED-AVERAGE STRUCTURE. ; 6 ; ALL THE INTERPROTON DISTANCE AND TORSION ANGLE RESTRAINTS ARE AVAILABLE IN THE PDB STRUCTURE FACTOR FILE *R5HIRNMR*. ; 7 ; ONLY RESIDUES 1-49 ARE WELL DEFINED. RESIDUES 50-65 FORM A DISORDERED C-TERMINAL TAIL. ; 8 ; HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL. BIOL. 52, 1-17 (1970)). WE HAVE FOLLOWED RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING MODIFICATION- WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS DENOTED AS 1HB ). ; _cell.entry_id 4HIR _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 4HIR _symmetry.space_group_name_H-M 'P 1 ' #################### # # # AUDIT # # # #################### _audit.revision_id 4HIR _audit.creation_date 1988-12-19 _audit.update_record ; 1998-06-24 Converted to mmCIF format by pdb2cif.pl 2.3.6 ; ########################## # # # ENTITY_POLY_SEQ # # # ########################## loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 1 1 VAL 1 2 VAL 1 3 TYR 1 4 THR 1 5 ASP 1 6 CYS 1 7 THR 1 8 GLU 1 9 SER 1 10 GLY 1 11 GLN 1 12 ASN 1 13 LEU 1 14 CYS 1 15 LEU 1 16 CYS 1 17 GLU 1 18 GLY 1 19 SER 1 20 ASN 1 21 VAL 1 22 CYS 1 23 GLY 1 24 GLN 1 25 GLY 1 26 ASN 1 27 LYS 1 28 CYS 1 29 ILE 1 30 LEU 1 31 GLY 1 32 SER 1 33 ASP 1 34 GLY 1 35 GLU 1 36 LYS 1 37 ASN 1 38 GLN 1 39 CYS 1 40 VAL 1 41 THR 1 42 GLY 1 43 GLU 1 44 GLY 1 45 THR 1 46 PRO 1 47 GLU 1 48 PRO 1 49 GLN 1 50 SER 1 51 HIS 1 52 ASN 1 53 ASP 1 54 GLY 1 55 ASP 1 56 PHE 1 57 GLU 1 58 GLU 1 59 ILE 1 60 PRO 1 61 GLU 1 62 GLU 1 63 TYR 1 64 LEU 1 65 GLN # *** WARNING *** only 75% homology to chain * loop_ _entity.id _entity.type _entity.details 1 polymer ; Protein chain: * ; loop_ _struct_asym.entity_id _struct_asym.id 1 * #################### # # # CHEM_COMP # # # #################### loop_ _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.formula _chem_comp.name 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" 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" TYR yes 'C9 H11 N1 O3' "Tyrosine" 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] 4HIR 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] 4HIR '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.label_model_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 1 1 ATOM N N VAL * 1 . -14.321 5.487 -6.348 1.00 0.00 . 1 1 1 1 ATOM C CA VAL * 1 . -13.620 4.226 -5.975 1.00 0.00 . 1 2 1 1 ATOM C C VAL * 1 . -12.238 4.558 -5.405 1.00 0.00 . 1 3 1 1 ATOM O O VAL * 1 . -11.232 4.056 -5.867 1.00 0.00 . 1 4 1 1 ATOM C CB VAL * 1 . -13.463 3.318 -7.198 1.00 0.00 . 1 5 1 1 ATOM C CG1 VAL * 1 . -13.081 1.907 -6.738 1.00 0.00 . 1 6 1 1 ATOM C CG2 VAL * 1 . -14.794 3.256 -7.949 1.00 0.00 . 1 7 1 1 ATOM H 1H VAL * 1 . -14.309 6.142 -5.541 1.00 0.00 . 1 8 1 1 ATOM H 2H VAL * 1 . -13.836 5.925 -7.159 1.00 0.00 . 1 9 1 1 ATOM H 3H VAL * 1 . -15.304 5.273 -6.607 1.00 0.00 . 1 10 1 1 ATOM H HA VAL * 1 . -14.197 3.715 -5.219 1.00 0.00 . 1 11 1 1 ATOM H HB VAL * 1 . -12.695 3.710 -7.849 1.00 0.00 . 1 12 1 1 ATOM H 1HG1 VAL * 1 . -12.264 1.961 -6.035 1.00 0.00 . 1 13 1 1 ATOM H 2HG1 VAL * 1 . -13.927 1.437 -6.265 1.00 0.00 . 1 14 1 1 ATOM H 3HG1 VAL * 1 . -12.779 1.317 -7.591 1.00 0.00 . 1 15 1 1 ATOM H 1HG2 VAL * 1 . -15.582 2.973 -7.266 1.00 0.00 . 1 16 1 1 ATOM H 2HG2 VAL * 1 . -15.020 4.222 -8.373 1.00 0.00 . 1 17 1 1 ATOM H 3HG2 VAL * 1 . -14.731 2.525 -8.742 1.00 0.00 . 1 18 2 1 ATOM N N VAL * 2 . -12.222 5.409 -4.411 1.00 0.00 . 1 19 2 1 ATOM C CA VAL * 2 . -10.933 5.781 -3.768 1.00 0.00 . 1 20 2 1 ATOM C C VAL * 2 . -10.836 5.114 -2.394 1.00 0.00 . 1 21 2 1 ATOM O O VAL * 2 . -11.826 4.640 -1.870 1.00 0.00 . 1 22 2 1 ATOM C CB VAL * 2 . -10.903 7.299 -3.602 1.00 0.00 . 1 23 2 1 ATOM C CG1 VAL * 2 . -9.452 7.781 -3.529 1.00 0.00 . 1 24 2 1 ATOM C CG2 VAL * 2 . -11.586 7.948 -4.807 1.00 0.00 . 1 25 2 1 ATOM H H VAL * 2 . -13.058 5.808 -4.089 1.00 0.00 . 1 26 2 1 ATOM H HA VAL * 2 . -10.109 5.461 -4.386 1.00 0.00 . 1 27 2 1 ATOM H HB VAL * 2 . -11.426 7.571 -2.700 1.00 0.00 . 1 28 2 1 ATOM H 1HG1 VAL * 2 . -8.903 7.183 -2.818 1.00 0.00 . 1 29 2 1 ATOM H 2HG1 VAL * 2 . -8.989 7.693 -4.500 1.00 0.00 . 1 30 2 1 ATOM H 3HG1 VAL * 2 . -9.427 8.815 -3.216 1.00 0.00 . 1 31 2 1 ATOM H 1HG2 VAL * 2 . -11.390 7.365 -5.695 1.00 0.00 . 1 32 2 1 ATOM H 2HG2 VAL * 2 . -12.652 7.996 -4.639 1.00 0.00 . 1 33 2 1 ATOM H 3HG2 VAL * 2 . -11.204 8.948 -4.948 1.00 0.00 . 1 34 3 1 ATOM N N TYR * 3 . -9.648 5.090 -1.839 1.00 0.00 . 1 35 3 1 ATOM C CA TYR * 3 . -9.471 4.449 -0.496 1.00 0.00 . 1 36 3 1 ATOM C C TYR * 3 . -8.805 5.414 0.489 1.00 0.00 . 1 37 3 1 ATOM O O TYR * 3 . -8.703 6.598 0.233 1.00 0.00 . 1 38 3 1 ATOM C CB TYR * 3 . -8.597 3.201 -0.658 1.00 0.00 . 1 39 3 1 ATOM C CG TYR * 3 . -9.429 2.094 -1.314 1.00 0.00 . 1 40 3 1 ATOM C CD1 TYR * 3 . -10.253 1.290 -0.553 1.00 0.00 . 1 41 3 1 ATOM C CD2 TYR * 3 . -9.370 1.887 -2.676 1.00 0.00 . 1 42 3 1 ATOM C CE1 TYR * 3 . -11.005 0.297 -1.147 1.00 0.00 . 1 43 3 1 ATOM C CE2 TYR * 3 . -10.122 0.894 -3.268 1.00 0.00 . 1 44 3 1 ATOM C CZ TYR * 3 . -10.945 0.092 -2.509 1.00 0.00 . 1 45 3 1 ATOM O OH TYR * 3 . -11.699 -0.901 -3.103 1.00 0.00 . 1 46 3 1 ATOM H H TYR * 3 . -8.881 5.484 -2.300 1.00 0.00 . 1 47 3 1 ATOM H HA TYR * 3 . -10.433 4.162 -0.103 1.00 0.00 . 1 48 3 1 ATOM H 1HB TYR * 3 . -7.740 3.426 -1.277 1.00 0.00 . 1 49 3 1 ATOM H 2HB TYR * 3 . -8.259 2.868 0.305 1.00 0.00 . 1 50 3 1 ATOM H HD1 TYR * 3 . -10.309 1.441 0.514 1.00 0.00 . 1 51 3 1 ATOM H HD2 TYR * 3 . -8.735 2.505 -3.281 1.00 0.00 . 1 52 3 1 ATOM H HE1 TYR * 3 . -11.649 -0.323 -0.539 1.00 0.00 . 1 53 3 1 ATOM H HE2 TYR * 3 . -10.064 0.743 -4.337 1.00 0.00 . 1 54 3 1 ATOM H HH TYR * 3 . -12.291 -1.263 -2.440 1.00 0.00 . 1 55 4 1 ATOM N N THR * 4 . -8.365 4.878 1.597 1.00 0.00 . 1 56 4 1 ATOM C CA THR * 4 . -7.716 5.728 2.633 1.00 0.00 . 1 57 4 1 ATOM C C THR * 4 . -6.216 5.485 2.613 1.00 0.00 . 1 58 4 1 ATOM O O THR * 4 . -5.739 4.706 1.836 1.00 0.00 . 1 59 4 1 ATOM C CB THR * 4 . -8.285 5.339 3.999 1.00 0.00 . 1 60 4 1 ATOM O OG1 THR * 4 . -8.322 3.919 3.990 1.00 0.00 . 1 61 4 1 ATOM C CG2 THR * 4 . -9.739 5.769 4.125 1.00 0.00 . 1 62 4 1 ATOM H H THR * 4 . -8.442 3.910 1.737 1.00 0.00 . 1 63 4 1 ATOM H HA THR * 4 . -7.920 6.768 2.429 1.00 0.00 . 1 64 4 1 ATOM H HB THR * 4 . -7.684 5.705 4.815 1.00 0.00 . 1 65 4 1 ATOM H HG1 THR * 4 . -8.662 3.635 3.138 1.00 0.00 . 1 66 4 1 ATOM H 1HG2 THR * 4 . -10.178 5.856 3.143 1.00 0.00 . 1 67 4 1 ATOM H 2HG2 THR * 4 . -10.285 5.034 4.698 1.00 0.00 . 1 68 4 1 ATOM H 3HG2 THR * 4 . -9.793 6.724 4.623 1.00 0.00 . 1 69 5 1 ATOM N N ASP * 5 . -5.497 6.152 3.458 1.00 0.00 . 1 70 5 1 ATOM C CA ASP * 5 . -4.036 5.933 3.463 1.00 0.00 . 1 71 5 1 ATOM C C ASP * 5 . -3.679 4.706 4.302 1.00 0.00 . 1 72 5 1 ATOM O O ASP * 5 . -4.424 4.298 5.169 1.00 0.00 . 1 73 5 1 ATOM C CB ASP * 5 . -3.360 7.150 4.070 1.00 0.00 . 1 74 5 1 ATOM C CG ASP * 5 . -4.175 8.405 3.748 1.00 0.00 . 1 75 5 1 ATOM O OD1 ASP * 5 . -5.277 8.482 4.266 1.00 0.00 . 1 76 5 1 ATOM O OD2 ASP * 5 . -3.649 9.216 3.005 1.00 0.00 . 1 77 5 1 ATOM H H ASP * 5 . -5.907 6.791 4.076 1.00 0.00 . 1 78 5 1 ATOM H HA ASP * 5 . -3.692 5.788 2.450 1.00 0.00 . 1 79 5 1 ATOM H 1HB ASP * 5 . -3.302 7.023 5.131 1.00 0.00 . 1 80 5 1 ATOM H 2HB ASP * 5 . -2.364 7.257 3.665 1.00 0.00 . 1 81 6 1 ATOM N N CYS * 6 . -2.541 4.145 4.015 1.00 0.00 . 1 83 6 1 ATOM C CA CYS * 6 . -2.074 2.980 4.786 1.00 0.00 . 1 84 6 1 ATOM C C CYS * 6 . -1.562 3.408 6.141 1.00 0.00 . 1 85 6 1 ATOM O O CYS * 6 . -1.596 4.574 6.486 1.00 0.00 . 1 86 6 1 ATOM C CB CYS * 6 . -0.878 2.373 4.055 1.00 0.00 . 1 87 6 1 ATOM S SG CYS * 6 . -0.701 2.673 2.289 1.00 0.00 . 1 88 6 1 ATOM H H CYS * 6 . -2.042 4.435 3.242 1.00 0.00 . 1 89 6 1 ATOM H HA CYS * 6 . -2.867 2.255 4.895 1.00 0.00 . 1 90 6 1 ATOM H 1HB CYS * 6 . 0.003 2.762 4.520 1.00 0.00 . 1 91 6 1 ATOM H 2HB CYS * 6 . -0.890 1.304 4.211 1.00 0.00 . 1 92 7 1 ATOM N N THR * 7 . -1.101 2.443 6.884 1.00 0.00 . 1 94 7 1 ATOM C CA THR * 7 . -0.502 2.750 8.205 1.00 0.00 . 1 95 7 1 ATOM C C THR * 7 . 0.904 2.204 8.268 1.00 0.00 . 1 96 7 1 ATOM O O THR * 7 . 1.718 2.646 9.048 1.00 0.00 . 1 97 7 1 ATOM C CB THR * 7 . -1.358 2.120 9.307 1.00 0.00 . 1 98 7 1 ATOM O OG1 THR * 7 . -0.842 0.806 9.469 1.00 0.00 . 1 99 7 1 ATOM C CG2 THR * 7 . -2.804 1.920 8.844 1.00 0.00 . 1 100 7 1 ATOM H H THR * 7 . -1.170 1.517 6.576 1.00 0.00 . 1 101 7 1 ATOM H HA THR * 7 . -0.457 3.778 8.323 1.00 0.00 . 1 102 7 1 ATOM H HB THR * 7 . -1.302 2.676 10.230 1.00 0.00 . 1 103 7 1 ATOM H HG1 THR * 7 . -0.669 0.669 10.404 1.00 0.00 . 1 104 7 1 ATOM H 1HG2 THR * 7 . -3.218 2.863 8.518 1.00 0.00 . 1 105 7 1 ATOM H 2HG2 THR * 7 . -2.833 1.217 8.024 1.00 0.00 . 1 106 7 1 ATOM H 3HG2 THR * 7 . -3.399 1.537 9.660 1.00 0.00 . 1 107 8 1 ATOM N N GLU * 8 . 1.144 1.276 7.425 1.00 0.00 . 1 108 8 1 ATOM C CA GLU * 8 . 2.484 0.619 7.380 1.00 0.00 . 1 109 8 1 ATOM C C GLU * 8 . 2.703 -0.133 6.062 1.00 0.00 . 1 110 8 1 ATOM O O GLU * 8 . 1.770 -0.439 5.345 1.00 0.00 . 1 111 8 1 ATOM C CB GLU * 8 . 2.571 -0.374 8.537 1.00 0.00 . 1 112 8 1 ATOM C CG GLU * 8 . 3.547 0.161 9.577 1.00 0.00 . 1 113 8 1 ATOM C CD GLU * 8 . 3.490 -0.715 10.830 1.00 0.00 . 1 114 8 1 ATOM O OE1 GLU * 8 . 2.709 -0.364 11.700 1.00 0.00 . 1 115 8 1 ATOM O OE2 GLU * 8 . 4.231 -1.684 10.847 1.00 0.00 . 1 116 8 1 ATOM H H GLU * 8 . 0.458 1.031 6.813 1.00 0.00 . 1 117 8 1 ATOM H HA GLU * 8 . 3.257 1.371 7.476 1.00 0.00 . 1 118 8 1 ATOM H 1HB GLU * 8 . 1.594 -0.498 8.984 1.00 0.00 . 1 119 8 1 ATOM H 2HB GLU * 8 . 2.917 -1.328 8.170 1.00 0.00 . 1 120 8 1 ATOM H 1HG GLU * 8 . 4.545 0.147 9.174 1.00 0.00 . 1 121 8 1 ATOM H 2HG GLU * 8 . 3.285 1.170 9.839 1.00 0.00 . 1 122 9 1 ATOM N N SER * 9 . 3.947 -0.423 5.792 1.00 0.00 . 1 124 9 1 ATOM C CA SER * 9 . 4.304 -1.149 4.575 1.00 0.00 . 1 125 9 1 ATOM C C SER * 9 . 3.669 -2.524 4.624 1.00 0.00 . 1 126 9 1 ATOM O O SER * 9 . 3.618 -3.150 5.674 1.00 0.00 . 1 127 9 1 ATOM C CB SER * 9 . 5.810 -1.244 4.551 1.00 0.00 . 1 128 9 1 ATOM O OG SER * 9 . 6.228 -0.370 5.588 1.00 0.00 . 1 129 9 1 ATOM H H SER * 9 . 4.638 -0.195 6.413 1.00 0.00 . 1 130 9 1 ATOM H HA SER * 9 . 3.955 -0.629 3.700 1.00 0.00 . 1 131 9 1 ATOM H 1HB SER * 9 . 6.110 -2.220 4.764 1.00 0.00 . 1 132 9 1 ATOM H 2HB SER * 9 . 6.208 -0.915 3.610 1.00 0.00 . 1 133 9 1 ATOM H HG SER * 9 . 7.150 -0.152 5.437 1.00 0.00 . 1 134 10 1 ATOM N N GLY * 10 . 3.238 -2.974 3.484 1.00 0.00 . 1 135 10 1 ATOM C CA GLY * 10 . 2.434 -4.224 3.425 1.00 0.00 . 1 136 10 1 ATOM C C GLY * 10 . 0.946 -4.338 3.133 1.00 0.00 . 1 137 10 1 ATOM O O GLY * 10 . 0.467 -5.345 2.649 1.00 0.00 . 1 138 10 1 ATOM H H GLY * 10 . 3.477 -2.507 2.659 1.00 0.00 . 1 139 10 1 ATOM H 1HA GLY * 10 . 2.414 -3.947 2.381 1.00 0.00 . 1 140 10 1 ATOM H 2HA GLY * 10 . 1.993 -3.751 4.283 1.00 0.00 . 1 141 11 1 ATOM N N GLN * 11 . 0.241 -3.274 3.453 1.00 0.00 . 1 142 11 1 ATOM C CA GLN * 11 . -1.232 -3.251 3.187 1.00 0.00 . 1 143 11 1 ATOM C C GLN * 11 . -1.489 -3.144 1.674 1.00 0.00 . 1 144 11 1 ATOM O O GLN * 11 . -0.564 -3.252 0.894 1.00 0.00 . 1 145 11 1 ATOM C CB GLN * 11 . -1.850 -2.064 3.923 1.00 0.00 . 1 146 11 1 ATOM C CG GLN * 11 . -2.217 -2.516 5.342 1.00 0.00 . 1 147 11 1 ATOM C CD GLN * 11 . -2.664 -1.311 6.172 1.00 0.00 . 1 148 11 1 ATOM O OE1 GLN * 11 . -3.415 -1.445 7.118 1.00 0.00 . 1 149 11 1 ATOM N NE2 GLN * 11 . -2.229 -0.127 5.859 1.00 0.00 . 1 150 11 1 ATOM H H GLN * 11 . 0.690 -2.494 3.879 1.00 0.00 . 1 151 11 1 ATOM H HA GLN * 11 . -1.673 -4.169 3.551 1.00 0.00 . 1 152 11 1 ATOM H 1HB GLN * 11 . -1.140 -1.253 3.968 1.00 0.00 . 1 153 11 1 ATOM H 2HB GLN * 11 . -2.733 -1.736 3.402 1.00 0.00 . 1 154 11 1 ATOM H 1HG GLN * 11 . -3.021 -3.235 5.299 1.00 0.00 . 1 155 11 1 ATOM H 2HG GLN * 11 . -1.357 -2.971 5.813 1.00 0.00 . 1 156 11 1 ATOM H 1HE2 GLN * 11 . -1.429 -0.029 5.303 1.00 0.00 . 1 157 11 1 ATOM H 2HE2 GLN * 11 . -2.702 0.668 6.179 1.00 0.00 . 1 158 12 1 ATOM N N ASN * 12 . -2.737 -2.936 1.283 1.00 0.00 . 1 159 12 1 ATOM C CA ASN * 12 . -3.039 -2.934 -0.195 1.00 0.00 . 1 160 12 1 ATOM C C ASN * 12 . -3.942 -1.811 -0.650 1.00 0.00 . 1 161 12 1 ATOM O O ASN * 12 . -3.512 -0.925 -1.357 1.00 0.00 . 1 162 12 1 ATOM C CB ASN * 12 . -3.717 -4.265 -0.552 1.00 0.00 . 1 163 12 1 ATOM C CG ASN * 12 . -2.723 -5.420 -0.408 1.00 0.00 . 1 164 12 1 ATOM O OD1 ASN * 12 . -1.799 -5.369 0.375 1.00 0.00 . 1 165 12 1 ATOM N ND2 ASN * 12 . -2.880 -6.485 -1.146 1.00 0.00 . 1 166 12 1 ATOM H H ASN * 12 . -3.450 -2.800 1.941 1.00 0.00 . 1 167 12 1 ATOM H HA ASN * 12 . -2.140 -2.835 -0.730 1.00 0.00 . 1 168 12 1 ATOM H 1HB ASN * 12 . -4.554 -4.433 0.110 1.00 0.00 . 1 169 12 1 ATOM H 2HB ASN * 12 . -4.076 -4.228 -1.569 1.00 0.00 . 1 170 12 1 ATOM H 1HD2 ASN * 12 . -3.703 -7.013 -1.072 1.00 0.00 . 1 171 12 1 ATOM H 2HD2 ASN * 12 . -2.178 -6.754 -1.773 1.00 0.00 . 1 172 13 1 ATOM N N LEU * 13 . -5.163 -1.872 -0.281 1.00 0.00 . 1 173 13 1 ATOM C CA LEU * 13 . -6.097 -0.850 -0.780 1.00 0.00 . 1 174 13 1 ATOM C C LEU * 13 . -5.925 0.445 -0.038 1.00 0.00 . 1 175 13 1 ATOM O O LEU * 13 . -6.876 1.010 0.457 1.00 0.00 . 1 176 13 1 ATOM C CB LEU * 13 . -7.539 -1.345 -0.615 1.00 0.00 . 1 177 13 1 ATOM C CG LEU * 13 . -7.849 -2.396 -1.697 1.00 0.00 . 1 178 13 1 ATOM C CD1 LEU * 13 . -9.249 -2.980 -1.453 1.00 0.00 . 1 179 13 1 ATOM C CD2 LEU * 13 . -7.827 -1.744 -3.090 1.00 0.00 . 1 180 13 1 ATOM H H LEU * 13 . -5.463 -2.576 0.298 1.00 0.00 . 1 181 13 1 ATOM H HA LEU * 13 . -5.881 -0.680 -1.816 1.00 0.00 . 1 182 13 1 ATOM H 1HB LEU * 13 . -7.653 -1.787 0.364 1.00 0.00 . 1 183 13 1 ATOM H 2HB LEU * 13 . -8.222 -0.514 -0.708 1.00 0.00 . 1 184 13 1 ATOM H HG LEU * 13 . -7.109 -3.184 -1.652 1.00 0.00 . 1 185 13 1 ATOM H 1HD1 LEU * 13 . -9.445 -3.041 -0.397 1.00 0.00 . 1 186 13 1 ATOM H 2HD1 LEU * 13 . -9.993 -2.347 -1.913 1.00 0.00 . 1 187 13 1 ATOM H 3HD1 LEU * 13 . -9.312 -3.970 -1.882 1.00 0.00 . 1 188 13 1 ATOM H 1HD2 LEU * 13 . -8.078 -0.699 -3.011 1.00 0.00 . 1 189 13 1 ATOM H 2HD2 LEU * 13 . -6.844 -1.837 -3.520 1.00 0.00 . 1 190 13 1 ATOM H 3HD2 LEU * 13 . -8.541 -2.235 -3.736 1.00 0.00 . 1 191 14 1 ATOM N N CYS * 14 . -4.705 0.881 0.045 1.00 0.00 . 1 192 14 1 ATOM C CA CYS * 14 . -4.441 2.185 0.673 1.00 0.00 . 1 193 14 1 ATOM C C CYS * 14 . -3.696 3.075 -0.284 1.00 0.00 . 1 194 14 1 ATOM O O CYS * 14 . -3.683 2.832 -1.465 1.00 0.00 . 1 195 14 1 ATOM C CB CYS * 14 . -3.541 1.969 1.842 1.00 0.00 . 1 196 14 1 ATOM S SG CYS * 14 . -1.913 1.305 1.480 1.00 0.00 . 1 197 14 1 ATOM H H CYS * 14 . -3.948 0.322 -0.274 1.00 0.00 . 1 198 14 1 ATOM H HA CYS * 14 . -5.367 2.653 0.978 1.00 0.00 . 1 199 14 1 ATOM H 1HB CYS * 14 . -3.411 2.902 2.327 1.00 0.00 . 1 200 14 1 ATOM H 2HB CYS * 14 . -4.010 1.324 2.520 1.00 0.00 . 1 201 15 1 ATOM N N LEU * 15 . -3.071 4.089 0.261 1.00 0.00 . 1 203 15 1 ATOM C CA LEU * 15 . -2.244 4.986 -0.583 1.00 0.00 . 1 204 15 1 ATOM C C LEU * 15 . -0.791 4.839 -0.201 1.00 0.00 . 1 205 15 1 ATOM O O LEU * 15 . -0.425 5.056 0.938 1.00 0.00 . 1 206 15 1 ATOM C CB LEU * 15 . -2.665 6.427 -0.386 1.00 0.00 . 1 207 15 1 ATOM C CG LEU * 15 . -4.159 6.501 -0.535 1.00 0.00 . 1 208 15 1 ATOM C CD1 LEU * 15 . -4.611 7.936 -0.338 1.00 0.00 . 1 209 15 1 ATOM C CD2 LEU * 15 . -4.571 6.004 -1.916 1.00 0.00 . 1 210 15 1 ATOM H H LEU * 15 . -3.155 4.258 1.222 1.00 0.00 . 1 211 15 1 ATOM H HA LEU * 15 . -2.374 4.720 -1.597 1.00 0.00 . 1 212 15 1 ATOM H 1HB LEU * 15 . -2.378 6.761 0.599 1.00 0.00 . 1 213 15 1 ATOM H 2HB LEU * 15 . -2.191 7.051 -1.130 1.00 0.00 . 1 214 15 1 ATOM H HG LEU * 15 . -4.596 5.882 0.191 1.00 0.00 . 1 215 15 1 ATOM H 1HD1 LEU * 15 . -4.123 8.568 -1.062 1.00 0.00 . 1 216 15 1 ATOM H 2HD1 LEU * 15 . -5.679 8.001 -0.462 1.00 0.00 . 1 217 15 1 ATOM H 3HD1 LEU * 15 . -4.349 8.263 0.657 1.00 0.00 . 1 218 15 1 ATOM H 1HD2 LEU * 15 . -3.791 6.219 -2.633 1.00 0.00 . 1 219 15 1 ATOM H 2HD2 LEU * 15 . -4.731 4.937 -1.870 1.00 0.00 . 1 220 15 1 ATOM H 3HD2 LEU * 15 . -5.480 6.485 -2.226 1.00 0.00 . 1 221 16 1 ATOM N N CYS * 16 . 0.007 4.472 -1.155 1.00 0.00 . 1 222 16 1 ATOM C CA CYS * 16 . 1.476 4.297 -0.851 1.00 0.00 . 1 223 16 1 ATOM C C CYS * 16 . 2.325 5.076 -1.852 1.00 0.00 . 1 224 16 1 ATOM O O CYS * 16 . 3.396 5.549 -1.526 1.00 0.00 . 1 225 16 1 ATOM C CB CYS * 16 . 1.840 2.808 -0.892 1.00 0.00 . 1 226 16 1 ATOM S SG CYS * 16 . 3.427 2.354 -1.636 1.00 0.00 . 1 227 16 1 ATOM H H CYS * 16 . -0.356 4.325 -2.077 1.00 0.00 . 1 228 16 1 ATOM H HA CYS * 16 . 1.681 4.680 0.136 1.00 0.00 . 1 229 16 1 ATOM H 1HB CYS * 16 . 1.844 2.440 0.124 1.00 0.00 . 1 230 16 1 ATOM H 2HB CYS * 16 . 1.067 2.285 -1.420 1.00 0.00 . 1 231 17 1 ATOM N N GLU * 17 . 1.834 5.194 -3.048 1.00 0.00 . 1 233 17 1 ATOM C CA GLU * 17 . 2.582 5.984 -4.062 1.00 0.00 . 1 234 17 1 ATOM C C GLU * 17 . 2.172 7.459 -3.941 1.00 0.00 . 1 235 17 1 ATOM O O GLU * 17 . 1.325 7.942 -4.664 1.00 0.00 . 1 236 17 1 ATOM C CB GLU * 17 . 2.248 5.436 -5.463 1.00 0.00 . 1 237 17 1 ATOM C CG GLU * 17 . 3.528 4.911 -6.126 1.00 0.00 . 1 238 17 1 ATOM C CD GLU * 17 . 4.428 6.092 -6.501 1.00 0.00 . 1 239 17 1 ATOM O OE1 GLU * 17 . 3.958 7.205 -6.334 1.00 0.00 . 1 240 17 1 ATOM O OE2 GLU * 17 . 5.534 5.813 -6.937 1.00 0.00 . 1 241 17 1 ATOM H H GLU * 17 . 0.984 4.768 -3.277 1.00 0.00 . 1 242 17 1 ATOM H HA GLU * 17 . 3.639 5.895 -3.873 1.00 0.00 . 1 243 17 1 ATOM H 1HB GLU * 17 . 1.533 4.629 -5.374 1.00 0.00 . 1 244 17 1 ATOM H 2HB GLU * 17 . 1.826 6.215 -6.075 1.00 0.00 . 1 245 17 1 ATOM H 1HG GLU * 17 . 4.056 4.260 -5.444 1.00 0.00 . 1 246 17 1 ATOM H 2HG GLU * 17 . 3.277 4.359 -7.019 1.00 0.00 . 1 247 18 1 ATOM N N GLY * 18 . 2.778 8.143 -3.006 1.00 0.00 . 1 249 18 1 ATOM C CA GLY * 18 . 2.407 9.568 -2.792 1.00 0.00 . 1 250 18 1 ATOM C C GLY * 18 . 0.957 9.654 -2.310 1.00 0.00 . 1 251 18 1 ATOM O O GLY * 18 . 0.698 9.785 -1.130 1.00 0.00 . 1 252 18 1 ATOM H H GLY * 18 . 3.467 7.720 -2.451 1.00 0.00 . 1 253 18 1 ATOM H 1HA GLY * 18 . 3.061 10.003 -2.048 1.00 0.00 . 1 254 18 1 ATOM H 2HA GLY * 18 . 2.510 10.109 -3.721 1.00 0.00 . 1 255 19 1 ATOM N N SER * 19 . 0.045 9.582 -3.240 1.00 0.00 . 1 256 19 1 ATOM C CA SER * 19 . -1.391 9.626 -2.868 1.00 0.00 . 1 257 19 1 ATOM C C SER * 19 . -2.188 8.678 -3.719 1.00 0.00 . 1 258 19 1 ATOM O O SER * 19 . -3.389 8.549 -3.588 1.00 0.00 . 1 259 19 1 ATOM C CB SER * 19 . -1.888 11.021 -3.099 1.00 0.00 . 1 260 19 1 ATOM O OG SER * 19 . -2.951 10.864 -4.027 1.00 0.00 . 1 261 19 1 ATOM H H SER * 19 . 0.303 9.531 -4.165 1.00 0.00 . 1 262 19 1 ATOM H HA SER * 19 . -1.488 9.352 -1.872 1.00 0.00 . 1 263 19 1 ATOM H 1HB SER * 19 . -2.239 11.469 -2.183 1.00 0.00 . 1 264 19 1 ATOM H 2HB SER * 19 . -1.106 11.599 -3.534 1.00 0.00 . 1 265 19 1 ATOM H HG SER * 19 . -3.319 11.731 -4.205 1.00 0.00 . 1 266 20 1 ATOM N N ASN * 20 . -1.496 8.043 -4.559 1.00 0.00 . 1 267 20 1 ATOM C CA ASN * 20 . -2.143 7.071 -5.480 1.00 0.00 . 1 268 20 1 ATOM C C ASN * 20 . -2.313 5.720 -4.791 1.00 0.00 . 1 269 20 1 ATOM O O ASN * 20 . -1.523 5.342 -3.935 1.00 0.00 . 1 270 20 1 ATOM C CB ASN * 20 . -1.272 6.903 -6.724 1.00 0.00 . 1 271 20 1 ATOM C CG ASN * 20 . -1.820 7.795 -7.840 1.00 0.00 . 1 272 20 1 ATOM O OD1 ASN * 20 . -2.335 7.320 -8.830 1.00 0.00 . 1 273 20 1 ATOM N ND2 ASN * 20 . -1.727 9.091 -7.716 1.00 0.00 . 1 274 20 1 ATOM H H ASN * 20 . -0.546 8.201 -4.586 1.00 0.00 . 1 275 20 1 ATOM H HA ASN * 20 . -3.113 7.447 -5.766 1.00 0.00 . 1 276 20 1 ATOM H 1HB ASN * 20 . -0.257 7.190 -6.503 1.00 0.00 . 1 277 20 1 ATOM H 2HB ASN * 20 . -1.293 5.875 -7.047 1.00 0.00 . 1 278 20 1 ATOM H 1HD2 ASN * 20 . -1.204 9.609 -8.363 1.00 0.00 . 1 279 20 1 ATOM H 2HD2 ASN * 20 . -2.185 9.547 -6.978 1.00 0.00 . 1 280 21 1 ATOM N N VAL * 21 . -3.343 5.018 -5.168 1.00 0.00 . 1 281 21 1 ATOM C CA VAL * 21 . -3.591 3.715 -4.534 1.00 0.00 . 1 282 21 1 ATOM C C VAL * 21 . -2.534 2.718 -4.921 1.00 0.00 . 1 283 21 1 ATOM O O VAL * 21 . -1.993 2.755 -6.010 1.00 0.00 . 1 284 21 1 ATOM C CB VAL * 21 . -4.970 3.202 -4.947 1.00 0.00 . 1 285 21 1 ATOM C CG1 VAL * 21 . -5.012 1.667 -4.901 1.00 0.00 . 1 286 21 1 ATOM C CG2 VAL * 21 . -6.021 3.738 -3.984 1.00 0.00 . 1 287 21 1 ATOM H H VAL * 21 . -3.947 5.354 -5.851 1.00 0.00 . 1 288 21 1 ATOM H HA VAL * 21 . -3.558 3.849 -3.496 1.00 0.00 . 1 289 21 1 ATOM H HB VAL * 21 . -5.184 3.539 -5.932 1.00 0.00 . 1 290 21 1 ATOM H 1HG1 VAL * 21 . -4.564 1.313 -3.984 1.00 0.00 . 1 291 21 1 ATOM H 2HG1 VAL * 21 . -6.040 1.335 -4.938 1.00 0.00 . 1 292 21 1 ATOM H 3HG1 VAL * 21 . -4.479 1.253 -5.743 1.00 0.00 . 1 293 21 1 ATOM H 1HG2 VAL * 21 . -5.894 4.799 -3.859 1.00 0.00 . 1 294 21 1 ATOM H 2HG2 VAL * 21 . -7.003 3.543 -4.382 1.00 0.00 . 1 295 21 1 ATOM H 3HG2 VAL * 21 . -5.921 3.249 -3.023 1.00 0.00 . 1 296 22 1 ATOM N N CYS * 22 . -2.262 1.841 -4.019 1.00 0.00 . 1 297 22 1 ATOM C CA CYS * 22 . -1.236 0.820 -4.296 1.00 0.00 . 1 298 22 1 ATOM C C CYS * 22 . -1.568 -0.470 -3.539 1.00 0.00 . 1 299 22 1 ATOM O O CYS * 22 . -1.419 -0.535 -2.337 1.00 0.00 . 1 300 22 1 ATOM C CB CYS * 22 . 0.088 1.373 -3.822 1.00 0.00 . 1 301 22 1 ATOM S SG CYS * 22 . 1.414 1.585 -5.042 1.00 0.00 . 1 302 22 1 ATOM H H CYS * 22 . -2.734 1.863 -3.138 1.00 0.00 . 1 303 22 1 ATOM H HA CYS * 22 . -1.194 0.620 -5.348 1.00 0.00 . 1 304 22 1 ATOM H 1HB CYS * 22 . -0.099 2.338 -3.380 1.00 0.00 . 1 305 22 1 ATOM H 2HB CYS * 22 . 0.446 0.725 -3.053 1.00 0.00 . 1 306 23 1 ATOM N N GLY * 23 . -1.995 -1.481 -4.260 1.00 0.00 . 1 308 23 1 ATOM C CA GLY * 23 . -2.393 -2.742 -3.576 1.00 0.00 . 1 309 23 1 ATOM C C GLY * 23 . -3.282 -3.908 -4.026 1.00 0.00 . 1 310 23 1 ATOM O O GLY * 23 . -2.934 -5.052 -3.842 1.00 0.00 . 1 311 23 1 ATOM H H GLY * 23 . -2.015 -1.425 -5.243 1.00 0.00 . 1 312 23 1 ATOM H 1HA GLY * 23 . -1.820 -3.129 -4.397 1.00 0.00 . 1 313 23 1 ATOM H 2HA GLY * 23 . -3.353 -2.237 -3.602 1.00 0.00 . 1 314 24 1 ATOM N N GLN * 24 . -4.414 -3.605 -4.603 1.00 0.00 . 1 315 24 1 ATOM C CA GLN * 24 . -5.304 -4.705 -5.043 1.00 0.00 . 1 316 24 1 ATOM C C GLN * 24 . -4.551 -5.674 -5.941 1.00 0.00 . 1 317 24 1 ATOM O O GLN * 24 . -4.071 -5.309 -6.995 1.00 0.00 . 1 318 24 1 ATOM C CB GLN * 24 . -6.500 -4.125 -5.802 1.00 0.00 . 1 319 24 1 ATOM C CG GLN * 24 . -7.528 -5.231 -6.046 1.00 0.00 . 1 320 24 1 ATOM C CD GLN * 24 . -7.932 -5.233 -7.522 1.00 0.00 . 1 321 24 1 ATOM O OE1 GLN * 24 . -7.108 -5.386 -8.401 1.00 0.00 . 1 322 24 1 ATOM N NE2 GLN * 24 . -9.189 -5.070 -7.835 1.00 0.00 . 1 323 24 1 ATOM H H GLN * 24 . -4.675 -2.679 -4.736 1.00 0.00 . 1 324 24 1 ATOM H HA GLN * 24 . -5.642 -5.233 -4.180 1.00 0.00 . 1 325 24 1 ATOM H 1HB GLN * 24 . -6.951 -3.342 -5.222 1.00 0.00 . 1 326 24 1 ATOM H 2HB GLN * 24 . -6.170 -3.720 -6.744 1.00 0.00 . 1 327 24 1 ATOM H 1HG GLN * 24 . -7.102 -6.190 -5.789 1.00 0.00 . 1 328 24 1 ATOM H 2HG GLN * 24 . -8.402 -5.056 -5.437 1.00 0.00 . 1 329 24 1 ATOM H 1HE2 GLN * 24 . -9.430 -4.627 -8.674 1.00 0.00 . 1 330 24 1 ATOM H 2HE2 GLN * 24 . -9.891 -5.391 -7.231 1.00 0.00 . 1 331 25 1 ATOM N N GLY * 25 . -4.468 -6.896 -5.501 1.00 0.00 . 1 332 25 1 ATOM C CA GLY * 25 . -3.742 -7.908 -6.300 1.00 0.00 . 1 333 25 1 ATOM C C GLY * 25 . -2.238 -7.765 -6.085 1.00 0.00 . 1 334 25 1 ATOM O O GLY * 25 . -1.485 -8.682 -6.348 1.00 0.00 . 1 335 25 1 ATOM H H GLY * 25 . -4.881 -7.142 -4.647 1.00 0.00 . 1 336 25 1 ATOM H 1HA GLY * 25 . -4.055 -8.896 -5.995 1.00 0.00 . 1 337 25 1 ATOM H 2HA GLY * 25 . -3.970 -7.768 -7.347 1.00 0.00 . 1 338 26 1 ATOM N N ASN * 26 . -1.832 -6.606 -5.610 1.00 0.00 . 1 339 26 1 ATOM C CA ASN * 26 . -0.400 -6.370 -5.375 1.00 0.00 . 1 340 26 1 ATOM C C ASN * 26 . -0.158 -6.027 -3.899 1.00 0.00 . 1 341 26 1 ATOM O O ASN * 26 . -1.037 -6.176 -3.077 1.00 0.00 . 1 342 26 1 ATOM C CB ASN * 26 . -0.007 -5.188 -6.226 1.00 0.00 . 1 343 26 1 ATOM C CG ASN * 26 . -1.216 -4.732 -7.045 1.00 0.00 . 1 344 26 1 ATOM O OD1 ASN * 26 . -2.082 -4.033 -6.559 1.00 0.00 . 1 345 26 1 ATOM N ND2 ASN * 26 . -1.315 -5.109 -8.292 1.00 0.00 . 1 346 26 1 ATOM H H ASN * 26 . -2.471 -5.883 -5.425 1.00 0.00 . 1 347 26 1 ATOM H HA ASN * 26 . 0.166 -7.230 -5.649 1.00 0.00 . 1 348 26 1 ATOM H 1HB ASN * 26 . 0.301 -4.411 -5.596 1.00 0.00 . 1 349 26 1 ATOM H 2HB ASN * 26 . 0.790 -5.447 -6.887 1.00 0.00 . 1 350 26 1 ATOM H 1HD2 ASN * 26 . -1.649 -4.482 -8.968 1.00 0.00 . 1 351 26 1 ATOM H 2HD2 ASN * 26 . -1.054 -6.016 -8.554 1.00 0.00 . 1 352 27 1 ATOM N N LYS * 27 . 1.035 -5.590 -3.585 1.00 0.00 . 1 353 27 1 ATOM C CA LYS * 27 . 1.298 -5.183 -2.171 1.00 0.00 . 1 354 27 1 ATOM C C LYS * 27 . 2.397 -4.126 -2.102 1.00 0.00 . 1 355 27 1 ATOM O O LYS * 27 . 3.518 -4.357 -2.514 1.00 0.00 . 1 356 27 1 ATOM C CB LYS * 27 . 1.734 -6.401 -1.361 1.00 0.00 . 1 357 27 1 ATOM C CG LYS * 27 . 1.555 -6.078 0.126 1.00 0.00 . 1 358 27 1 ATOM C CD LYS * 27 . 2.406 -7.041 0.973 1.00 0.00 . 1 359 27 1 ATOM C CE LYS * 27 . 3.854 -6.529 1.068 1.00 0.00 . 1 360 27 1 ATOM N NZ LYS * 27 . 4.580 -7.231 2.164 1.00 0.00 . 1 361 27 1 ATOM H H LYS * 27 . 1.752 -5.553 -4.261 1.00 0.00 . 1 362 27 1 ATOM H HA LYS * 27 . 0.392 -4.778 -1.748 1.00 0.00 . 1 363 27 1 ATOM H 1HB LYS * 27 . 1.126 -7.253 -1.626 1.00 0.00 . 1 364 27 1 ATOM H 2HB LYS * 27 . 2.769 -6.624 -1.567 1.00 0.00 . 1 365 27 1 ATOM H 1HG LYS * 27 . 1.854 -5.059 0.312 1.00 0.00 . 1 366 27 1 ATOM H 2HG LYS * 27 . 0.519 -6.187 0.392 1.00 0.00 . 1 367 27 1 ATOM H 1HD LYS * 27 . 1.983 -7.116 1.964 1.00 0.00 . 1 368 27 1 ATOM H 2HD LYS * 27 . 2.401 -8.019 0.515 1.00 0.00 . 1 369 27 1 ATOM H 1HE LYS * 27 . 4.364 -6.712 0.135 1.00 0.00 . 1 370 27 1 ATOM H 2HE LYS * 27 . 3.864 -5.466 1.276 1.00 0.00 . 1 371 27 1 ATOM H 1HZ LYS * 27 . 3.897 -7.745 2.757 1.00 0.00 . 1 372 27 1 ATOM H 2HZ LYS * 27 . 5.258 -7.903 1.754 1.00 0.00 . 1 373 27 1 ATOM H 3HZ LYS * 27 . 5.089 -6.534 2.744 1.00 0.00 . 1 374 28 1 ATOM N N CYS * 28 . 2.071 -2.979 -1.576 1.00 0.00 . 1 375 28 1 ATOM C CA CYS * 28 . 3.124 -1.944 -1.482 1.00 0.00 . 1 376 28 1 ATOM C C CYS * 28 . 3.960 -2.120 -0.278 1.00 0.00 . 1 377 28 1 ATOM O O CYS * 28 . 3.643 -2.845 0.644 1.00 0.00 . 1 378 28 1 ATOM C CB CYS * 28 . 2.546 -0.543 -1.399 1.00 0.00 . 1 379 28 1 ATOM S SG CYS * 28 . 3.043 0.656 -2.663 1.00 0.00 . 1 380 28 1 ATOM H H CYS * 28 . 1.162 -2.808 -1.256 1.00 0.00 . 1 381 28 1 ATOM H HA CYS * 28 . 3.745 -2.018 -2.340 1.00 0.00 . 1 382 28 1 ATOM H 1HB CYS * 28 . 1.513 -0.624 -1.426 1.00 0.00 . 1 383 28 1 ATOM H 2HB CYS * 28 . 2.815 -0.130 -0.437 1.00 0.00 . 1 384 29 1 ATOM N N ILE * 29 . 5.020 -1.439 -0.335 1.00 0.00 . 1 386 29 1 ATOM C CA ILE * 29 . 5.947 -1.393 0.815 1.00 0.00 . 1 387 29 1 ATOM C C ILE * 29 . 6.305 0.060 1.101 1.00 0.00 . 1 388 29 1 ATOM O O ILE * 29 . 7.262 0.579 0.561 1.00 0.00 . 1 389 29 1 ATOM C CB ILE * 29 . 7.219 -2.151 0.490 1.00 0.00 . 1 390 29 1 ATOM C CG1 ILE * 29 . 6.909 -3.574 -0.029 1.00 0.00 . 1 391 29 1 ATOM C CG2 ILE * 29 . 8.082 -2.236 1.750 1.00 0.00 . 1 392 29 1 ATOM C CD1 ILE * 29 . 6.563 -4.513 1.140 1.00 0.00 . 1 393 29 1 ATOM H H ILE * 29 . 5.216 -0.948 -1.168 1.00 0.00 . 1 394 29 1 ATOM H HA ILE * 29 . 5.478 -1.813 1.664 1.00 0.00 . 1 395 29 1 ATOM H HB ILE * 29 . 7.742 -1.612 -0.257 1.00 0.00 . 1 396 29 1 ATOM H 1HG1 ILE * 29 . 6.083 -3.539 -0.720 1.00 0.00 . 1 397 29 1 ATOM H 2HG1 ILE * 29 . 7.775 -3.959 -0.548 1.00 0.00 . 1 398 29 1 ATOM H 1HG2 ILE * 29 . 7.483 -2.578 2.584 1.00 0.00 . 1 399 29 1 ATOM H 2HG2 ILE * 29 . 8.895 -2.926 1.588 1.00 0.00 . 1 400 29 1 ATOM H 3HG2 ILE * 29 . 8.480 -1.264 1.979 1.00 0.00 . 1 401 29 1 ATOM H 1HD1 ILE * 29 . 5.827 -4.055 1.780 1.00 0.00 . 1 402 29 1 ATOM H 2HD1 ILE * 29 . 6.169 -5.428 0.753 1.00 0.00 . 1 403 29 1 ATOM H 3HD1 ILE * 29 . 7.447 -4.733 1.714 1.00 0.00 . 1 404 30 1 ATOM N N LEU * 30 . 5.537 0.694 1.944 1.00 0.00 . 1 405 30 1 ATOM C CA LEU * 30 . 5.810 2.127 2.218 1.00 0.00 . 1 406 30 1 ATOM C C LEU * 30 . 6.965 2.300 3.219 1.00 0.00 . 1 407 30 1 ATOM O O LEU * 30 . 6.942 1.773 4.313 1.00 0.00 . 1 408 30 1 ATOM C CB LEU * 30 . 4.535 2.807 2.703 1.00 0.00 . 1 409 30 1 ATOM C CG LEU * 30 . 4.228 2.391 4.117 1.00 0.00 . 1 410 30 1 ATOM C CD1 LEU * 30 . 4.712 3.466 5.097 1.00 0.00 . 1 411 30 1 ATOM C CD2 LEU * 30 . 2.709 2.232 4.264 1.00 0.00 . 1 412 30 1 ATOM H H LEU * 30 . 4.795 0.236 2.381 1.00 0.00 . 1 413 30 1 ATOM H HA LEU * 30 . 6.082 2.574 1.323 1.00 0.00 . 1 414 30 1 ATOM H 1HB LEU * 30 . 4.655 3.871 2.657 1.00 0.00 . 1 415 30 1 ATOM H 2HB LEU * 30 . 3.720 2.514 2.062 1.00 0.00 . 1 416 30 1 ATOM H HG LEU * 30 . 4.717 1.466 4.316 1.00 0.00 . 1 417 30 1 ATOM H 1HD1 LEU * 30 . 5.639 3.893 4.754 1.00 0.00 . 1 418 30 1 ATOM H 2HD1 LEU * 30 . 3.970 4.245 5.175 1.00 0.00 . 1 419 30 1 ATOM H 3HD1 LEU * 30 . 4.864 3.025 6.072 1.00 0.00 . 1 420 30 1 ATOM H 1HD2 LEU * 30 . 2.202 3.012 3.713 1.00 0.00 . 1 421 30 1 ATOM H 2HD2 LEU * 30 . 2.403 1.272 3.879 1.00 0.00 . 1 422 30 1 ATOM H 3HD2 LEU * 30 . 2.435 2.307 5.304 1.00 0.00 . 1 423 31 1 ATOM N N GLY * 31 . 7.976 3.027 2.810 1.00 0.00 . 1 424 31 1 ATOM C CA GLY * 31 . 9.117 3.245 3.723 1.00 0.00 . 1 425 31 1 ATOM C C GLY * 31 . 9.725 1.907 4.103 1.00 0.00 . 1 426 31 1 ATOM O O GLY * 31 . 9.321 1.297 5.072 1.00 0.00 . 1 427 31 1 ATOM H H GLY * 31 . 7.993 3.403 1.907 1.00 0.00 . 1 428 31 1 ATOM H 1HA GLY * 31 . 9.858 3.852 3.234 1.00 0.00 . 1 429 31 1 ATOM H 2HA GLY * 31 . 8.772 3.749 4.615 1.00 0.00 . 1 430 32 1 ATOM N N SER * 32 . 10.685 1.465 3.339 1.00 0.00 . 1 431 32 1 ATOM C CA SER * 32 . 11.298 0.185 3.665 1.00 0.00 . 1 432 32 1 ATOM C C SER * 32 . 12.064 0.338 4.934 1.00 0.00 . 1 433 32 1 ATOM O O SER * 32 . 11.572 0.866 5.892 1.00 0.00 . 1 434 32 1 ATOM C CB SER * 32 . 12.234 -0.244 2.527 1.00 0.00 . 1 435 32 1 ATOM O OG SER * 32 . 11.367 -0.421 1.415 1.00 0.00 . 1 436 32 1 ATOM H H SER * 32 . 11.018 1.990 2.592 1.00 0.00 . 1 437 32 1 ATOM H HA SER * 32 . 10.557 -0.551 3.802 1.00 0.00 . 1 438 32 1 ATOM H 1HB SER * 32 . 12.957 0.519 2.317 1.00 0.00 . 1 439 32 1 ATOM H 2HB SER * 32 . 12.727 -1.173 2.768 1.00 0.00 . 1 440 32 1 ATOM H HG SER * 32 . 11.468 -1.323 1.102 1.00 0.00 . 1 441 33 1 ATOM N N ASP * 33 . 13.268 0.018 4.851 1.00 0.00 . 1 442 33 1 ATOM C CA ASP * 33 . 14.121 -0.002 6.070 1.00 0.00 . 1 443 33 1 ATOM C C ASP * 33 . 14.421 1.416 6.468 1.00 0.00 . 1 444 33 1 ATOM O O ASP * 33 . 15.538 1.887 6.392 1.00 0.00 . 1 445 33 1 ATOM C CB ASP * 33 . 15.425 -0.740 5.765 1.00 0.00 . 1 446 33 1 ATOM C CG ASP * 33 . 15.221 -2.238 5.989 1.00 0.00 . 1 447 33 1 ATOM O OD1 ASP * 33 . 15.215 -2.939 4.990 1.00 0.00 . 1 448 33 1 ATOM O OD2 ASP * 33 . 15.080 -2.598 7.146 1.00 0.00 . 1 449 33 1 ATOM H H ASP * 33 . 13.622 -0.167 3.997 1.00 0.00 . 1 450 33 1 ATOM H HA ASP * 33 . 13.593 -0.498 6.872 1.00 0.00 . 1 451 33 1 ATOM H 1HB ASP * 33 . 15.714 -0.568 4.738 1.00 0.00 . 1 452 33 1 ATOM H 2HB ASP * 33 . 16.208 -0.385 6.418 1.00 0.00 . 1 453 34 1 ATOM N N GLY * 34 . 13.386 2.060 6.889 1.00 0.00 . 1 455 34 1 ATOM C CA GLY * 34 . 13.493 3.473 7.259 1.00 0.00 . 1 456 34 1 ATOM C C GLY * 34 . 13.771 4.264 6.004 1.00 0.00 . 1 457 34 1 ATOM O O GLY * 34 . 14.367 5.323 6.061 1.00 0.00 . 1 458 34 1 ATOM H H GLY * 34 . 12.536 1.604 6.943 1.00 0.00 . 1 459 34 1 ATOM H 1HA GLY * 34 . 12.566 3.804 7.702 1.00 0.00 . 1 460 34 1 ATOM H 2HA GLY * 34 . 14.302 3.607 7.962 1.00 0.00 . 1 461 35 1 ATOM N N GLU * 35 . 13.320 3.733 4.873 1.00 0.00 . 1 462 35 1 ATOM C CA GLU * 35 . 13.617 4.400 3.607 1.00 0.00 . 1 463 35 1 ATOM C C GLU * 35 . 12.371 4.891 2.902 1.00 0.00 . 1 464 35 1 ATOM O O GLU * 35 . 11.493 5.498 3.481 1.00 0.00 . 1 465 35 1 ATOM C CB GLU * 35 . 14.352 3.414 2.704 1.00 0.00 . 1 466 35 1 ATOM C CG GLU * 35 . 15.443 2.703 3.512 1.00 0.00 . 1 467 35 1 ATOM C CD GLU * 35 . 16.648 2.434 2.608 1.00 0.00 . 1 468 35 1 ATOM O OE1 GLU * 35 . 16.665 1.357 2.036 1.00 0.00 . 1 469 35 1 ATOM O OE2 GLU * 35 . 17.484 3.321 2.542 1.00 0.00 . 1 470 35 1 ATOM H H GLU * 35 . 12.796 2.913 4.869 1.00 0.00 . 1 471 35 1 ATOM H HA GLU * 35 . 14.241 5.221 3.783 1.00 0.00 . 1 472 35 1 ATOM H 1HB GLU * 35 . 13.655 2.692 2.319 1.00 0.00 . 1 473 35 1 ATOM H 2HB GLU * 35 . 14.803 3.947 1.879 1.00 0.00 . 1 474 35 1 ATOM H 1HG GLU * 35 . 15.749 3.326 4.340 1.00 0.00 . 1 475 35 1 ATOM H 2HG GLU * 35 . 15.065 1.765 3.891 1.00 0.00 . 1 476 36 1 ATOM N N LYS * 36 . 12.363 4.617 1.661 1.00 0.00 . 1 478 36 1 ATOM C CA LYS * 36 . 11.287 5.114 0.762 1.00 0.00 . 1 479 36 1 ATOM C C LYS * 36 . 10.128 4.121 0.582 1.00 0.00 . 1 480 36 1 ATOM O O LYS * 36 . 10.152 3.011 1.078 1.00 0.00 . 1 481 36 1 ATOM C CB LYS * 36 . 11.904 5.397 -0.610 1.00 0.00 . 1 482 36 1 ATOM C CG LYS * 36 . 12.552 6.785 -0.596 1.00 0.00 . 1 483 36 1 ATOM C CD LYS * 36 . 13.178 7.075 -1.977 1.00 0.00 . 1 484 36 1 ATOM C CE LYS * 36 . 14.586 6.451 -2.074 1.00 0.00 . 1 485 36 1 ATOM N NZ LYS * 36 . 14.495 4.984 -2.315 1.00 0.00 . 1 486 36 1 ATOM H H LYS * 36 . 13.053 4.064 1.322 1.00 0.00 . 1 487 36 1 ATOM H HA LYS * 36 . 10.906 6.022 1.172 1.00 0.00 . 1 488 36 1 ATOM H 1HB LYS * 36 . 12.650 4.650 -0.828 1.00 0.00 . 1 489 36 1 ATOM H 2HB LYS * 36 . 11.136 5.362 -1.369 1.00 0.00 . 1 490 36 1 ATOM H 1HG LYS * 36 . 11.797 7.529 -0.384 1.00 0.00 . 1 491 36 1 ATOM H 2HG LYS * 36 . 13.306 6.825 0.172 1.00 0.00 . 1 492 36 1 ATOM H 1HD LYS * 36 . 12.548 6.659 -2.749 1.00 0.00 . 1 493 36 1 ATOM H 2HD LYS * 36 . 13.248 8.142 -2.121 1.00 0.00 . 1 494 36 1 ATOM H 1HE LYS * 36 . 15.120 6.904 -2.895 1.00 0.00 . 1 495 36 1 ATOM H 2HE LYS * 36 . 15.135 6.628 -1.163 1.00 0.00 . 1 496 36 1 ATOM H 1HZ LYS * 36 . 13.612 4.768 -2.819 1.00 0.00 . 1 497 36 1 ATOM H 2HZ LYS * 36 . 15.306 4.676 -2.889 1.00 0.00 . 1 498 36 1 ATOM H 3HZ LYS * 36 . 14.506 4.481 -1.403 1.00 0.00 . 1 499 37 1 ATOM N N ASN * 37 . 9.130 4.572 -0.146 1.00 0.00 . 1 500 37 1 ATOM C CA ASN * 37 . 7.955 3.709 -0.455 1.00 0.00 . 1 501 37 1 ATOM C C ASN * 37 . 8.036 3.192 -1.899 1.00 0.00 . 1 502 37 1 ATOM O O ASN * 37 . 8.626 3.827 -2.752 1.00 0.00 . 1 503 37 1 ATOM C CB ASN * 37 . 6.697 4.575 -0.345 1.00 0.00 . 1 504 37 1 ATOM C CG ASN * 37 . 6.678 5.289 1.003 1.00 0.00 . 1 505 37 1 ATOM O OD1 ASN * 37 . 7.589 5.172 1.795 1.00 0.00 . 1 506 37 1 ATOM N ND2 ASN * 37 . 5.665 6.047 1.296 1.00 0.00 . 1 507 37 1 ATOM H H ASN * 37 . 9.144 5.494 -0.466 1.00 0.00 . 1 508 37 1 ATOM H HA ASN * 37 . 7.911 2.873 0.241 1.00 0.00 . 1 509 37 1 ATOM H 1HB ASN * 37 . 6.702 5.316 -1.131 1.00 0.00 . 1 510 37 1 ATOM H 2HB ASN * 37 . 5.814 3.965 -0.446 1.00 0.00 . 1 511 37 1 ATOM H 1HD2 ASN * 37 . 5.531 6.350 2.216 1.00 0.00 . 1 512 37 1 ATOM H 2HD2 ASN * 37 . 5.038 6.316 0.594 1.00 0.00 . 1 513 38 1 ATOM N N GLN * 38 . 7.445 2.055 -2.144 1.00 0.00 . 1 514 38 1 ATOM C CA GLN * 38 . 7.418 1.535 -3.534 1.00 0.00 . 1 515 38 1 ATOM C C GLN * 38 . 6.329 0.470 -3.684 1.00 0.00 . 1 516 38 1 ATOM O O GLN * 38 . 5.938 -0.157 -2.718 1.00 0.00 . 1 517 38 1 ATOM C CB GLN * 38 . 8.779 0.930 -3.891 1.00 0.00 . 1 518 38 1 ATOM C CG GLN * 38 . 8.764 0.501 -5.365 1.00 0.00 . 1 519 38 1 ATOM C CD GLN * 38 . 10.189 0.573 -5.924 1.00 0.00 . 1 520 38 1 ATOM O OE1 GLN * 38 . 10.837 1.602 -5.872 1.00 0.00 . 1 521 38 1 ATOM N NE2 GLN * 38 . 10.713 -0.491 -6.468 1.00 0.00 . 1 522 38 1 ATOM H H GLN * 38 . 7.017 1.559 -1.432 1.00 0.00 . 1 523 38 1 ATOM H HA GLN * 38 . 7.199 2.349 -4.189 1.00 0.00 . 1 524 38 1 ATOM H 1HB GLN * 38 . 9.556 1.662 -3.733 1.00 0.00 . 1 525 38 1 ATOM H 2HB GLN * 38 . 8.969 0.070 -3.265 1.00 0.00 . 1 526 38 1 ATOM H 1HG GLN * 38 . 8.398 -0.511 -5.447 1.00 0.00 . 1 527 38 1 ATOM H 2HG GLN * 38 . 8.123 1.159 -5.936 1.00 0.00 . 1 528 38 1 ATOM H 1HE2 GLN * 38 . 11.492 -0.409 -7.056 1.00 0.00 . 1 529 38 1 ATOM H 2HE2 GLN * 38 . 10.326 -1.374 -6.285 1.00 0.00 . 1 530 39 1 ATOM N N CYS * 39 . 5.866 0.284 -4.899 1.00 0.00 . 1 531 39 1 ATOM C CA CYS * 39 . 4.801 -0.739 -5.135 1.00 0.00 . 1 532 39 1 ATOM C C CYS * 39 . 5.316 -2.007 -5.761 1.00 0.00 . 1 533 39 1 ATOM O O CYS * 39 . 5.884 -1.995 -6.836 1.00 0.00 . 1 534 39 1 ATOM C CB CYS * 39 . 3.712 -0.176 -6.026 1.00 0.00 . 1 535 39 1 ATOM S SG CYS * 39 . 2.011 -0.296 -5.405 1.00 0.00 . 1 536 39 1 ATOM H H CYS * 39 . 6.215 0.814 -5.646 1.00 0.00 . 1 537 39 1 ATOM H HA CYS * 39 . 4.372 -0.993 -4.215 1.00 0.00 . 1 538 39 1 ATOM H 1HB CYS * 39 . 3.933 0.864 -6.210 1.00 0.00 . 1 539 39 1 ATOM H 2HB CYS * 39 . 3.755 -0.695 -6.963 1.00 0.00 . 1 540 40 1 ATOM N N VAL * 40 . 5.107 -3.092 -5.055 1.00 0.00 . 1 542 40 1 ATOM C CA VAL * 40 . 5.454 -4.419 -5.641 1.00 0.00 . 1 543 40 1 ATOM C C VAL * 40 . 4.302 -5.392 -5.471 1.00 0.00 . 1 544 40 1 ATOM O O VAL * 40 . 3.448 -5.222 -4.640 1.00 0.00 . 1 545 40 1 ATOM C CB VAL * 40 . 6.686 -4.974 -4.958 1.00 0.00 . 1 546 40 1 ATOM C CG1 VAL * 40 . 6.512 -4.850 -3.448 1.00 0.00 . 1 547 40 1 ATOM C CG2 VAL * 40 . 6.873 -6.445 -5.329 1.00 0.00 . 1 548 40 1 ATOM H H VAL * 40 . 4.751 -3.023 -4.115 1.00 0.00 . 1 549 40 1 ATOM H HA VAL * 40 . 5.654 -4.299 -6.695 1.00 0.00 . 1 550 40 1 ATOM H HB VAL * 40 . 7.532 -4.425 -5.280 1.00 0.00 . 1 551 40 1 ATOM H 1HG1 VAL * 40 . 5.575 -5.300 -3.153 1.00 0.00 . 1 552 40 1 ATOM H 2HG1 VAL * 40 . 7.321 -5.354 -2.945 1.00 0.00 . 1 553 40 1 ATOM H 3HG1 VAL * 40 . 6.510 -3.807 -3.167 1.00 0.00 . 1 554 40 1 ATOM H 1HG2 VAL * 40 . 6.698 -6.582 -6.386 1.00 0.00 . 1 555 40 1 ATOM H 2HG2 VAL * 40 . 7.882 -6.753 -5.098 1.00 0.00 . 1 556 40 1 ATOM H 3HG2 VAL * 40 . 6.184 -7.052 -4.770 1.00 0.00 . 1 557 41 1 ATOM N N THR * 41 . 4.313 -6.381 -6.280 1.00 0.00 . 1 558 41 1 ATOM C CA THR * 41 . 3.274 -7.389 -6.232 1.00 0.00 . 1 559 41 1 ATOM C C THR * 41 . 3.558 -8.448 -5.158 1.00 0.00 . 1 560 41 1 ATOM O O THR * 41 . 4.689 -8.822 -4.935 1.00 0.00 . 1 561 41 1 ATOM C CB THR * 41 . 3.248 -8.045 -7.585 1.00 0.00 . 1 562 41 1 ATOM O OG1 THR * 41 . 4.224 -7.350 -8.349 1.00 0.00 . 1 563 41 1 ATOM C CG2 THR * 41 . 1.920 -7.821 -8.315 1.00 0.00 . 1 564 41 1 ATOM H H THR * 41 . 4.994 -6.449 -6.930 1.00 0.00 . 1 565 41 1 ATOM H HA THR * 41 . 2.354 -6.925 -6.041 1.00 0.00 . 1 566 41 1 ATOM H HB THR * 41 . 3.497 -9.057 -7.507 1.00 0.00 . 1 567 41 1 ATOM H HG1 THR * 41 . 4.019 -6.413 -8.312 1.00 0.00 . 1 568 41 1 ATOM H 1HG2 THR * 41 . 1.096 -8.049 -7.655 1.00 0.00 . 1 569 41 1 ATOM H 2HG2 THR * 41 . 1.847 -6.791 -8.633 1.00 0.00 . 1 570 41 1 ATOM H 3HG2 THR * 41 . 1.869 -8.465 -9.182 1.00 0.00 . 1 571 42 1 ATOM N N GLY * 42 . 2.515 -8.917 -4.525 1.00 0.00 . 1 572 42 1 ATOM C CA GLY * 42 . 2.705 -9.950 -3.466 1.00 0.00 . 1 573 42 1 ATOM C C GLY * 42 . 1.697 -10.643 -2.542 1.00 0.00 . 1 574 42 1 ATOM O O GLY * 42 . 0.737 -11.232 -2.997 1.00 0.00 . 1 575 42 1 ATOM H H GLY * 42 . 1.617 -8.594 -4.747 1.00 0.00 . 1 576 42 1 ATOM H 1HA GLY * 42 . 2.136 -10.516 -4.191 1.00 0.00 . 1 577 42 1 ATOM H 2HA GLY * 42 . 2.386 -9.113 -2.866 1.00 0.00 . 1 578 43 1 ATOM N N GLU * 43 . 1.949 -10.558 -1.259 1.00 0.00 . 1 579 43 1 ATOM C CA GLU * 43 . 1.025 -11.198 -0.271 1.00 0.00 . 1 580 43 1 ATOM C C GLU * 43 . 0.667 -10.201 0.836 1.00 0.00 . 1 581 43 1 ATOM O O GLU * 43 . 1.496 -9.870 1.663 1.00 0.00 . 1 582 43 1 ATOM C CB GLU * 43 . 1.733 -12.406 0.363 1.00 0.00 . 1 583 43 1 ATOM C CG GLU * 43 . 1.445 -13.671 -0.458 1.00 0.00 . 1 584 43 1 ATOM C CD GLU * 43 . 2.027 -14.884 0.271 1.00 0.00 . 1 585 43 1 ATOM O OE1 GLU * 43 . 1.303 -15.863 0.357 1.00 0.00 . 1 586 43 1 ATOM O OE2 GLU * 43 . 3.161 -14.763 0.702 1.00 0.00 . 1 587 43 1 ATOM H H GLU * 43 . 2.743 -10.077 -0.946 1.00 0.00 . 1 588 43 1 ATOM H HA GLU * 43 . 0.125 -11.515 -0.768 1.00 0.00 . 1 589 43 1 ATOM H 1HB GLU * 43 . 2.798 -12.227 0.388 1.00 0.00 . 1 590 43 1 ATOM H 2HB GLU * 43 . 1.376 -12.542 1.372 1.00 0.00 . 1 591 43 1 ATOM H 1HG GLU * 43 . 0.380 -13.806 -0.572 1.00 0.00 . 1 592 43 1 ATOM H 2HG GLU * 43 . 1.902 -13.588 -1.433 1.00 0.00 . 1 593 44 1 ATOM N N GLY * 44 . -0.554 -9.744 0.833 1.00 0.00 . 1 595 44 1 ATOM C CA GLY * 44 . -0.965 -8.766 1.885 1.00 0.00 . 1 596 44 1 ATOM C C GLY * 44 . -2.484 -8.760 2.063 1.00 0.00 . 1 597 44 1 ATOM O O GLY * 44 . -3.164 -9.678 1.649 1.00 0.00 . 1 598 44 1 ATOM H H GLY * 44 . -1.194 -10.038 0.152 1.00 0.00 . 1 599 44 1 ATOM H 1HA GLY * 44 . -0.500 -9.036 2.821 1.00 0.00 . 1 600 44 1 ATOM H 2HA GLY * 44 . -0.640 -7.783 1.602 1.00 0.00 . 1 601 45 1 ATOM N N THR * 45 . -2.980 -7.716 2.683 1.00 0.00 . 1 602 45 1 ATOM C CA THR * 45 . -4.448 -7.633 2.919 1.00 0.00 . 1 603 45 1 ATOM C C THR * 45 . -4.935 -6.162 2.789 1.00 0.00 . 1 604 45 1 ATOM O O THR * 45 . -4.168 -5.238 2.978 1.00 0.00 . 1 605 45 1 ATOM C CB THR * 45 . -4.712 -8.165 4.333 1.00 0.00 . 1 606 45 1 ATOM O OG1 THR * 45 . -5.695 -9.176 4.169 1.00 0.00 . 1 607 45 1 ATOM C CG2 THR * 45 . -5.363 -7.125 5.257 1.00 0.00 . 1 608 45 1 ATOM H H THR * 45 . -2.391 -7.005 2.999 1.00 0.00 . 1 609 45 1 ATOM H HA THR * 45 . -4.942 -8.255 2.206 1.00 0.00 . 1 610 45 1 ATOM H HB THR * 45 . -3.816 -8.570 4.762 1.00 0.00 . 1 611 45 1 ATOM H HG1 THR * 45 . -5.581 -9.561 3.297 1.00 0.00 . 1 612 45 1 ATOM H 1HG2 THR * 45 . -4.720 -6.261 5.351 1.00 0.00 . 1 613 45 1 ATOM H 2HG2 THR * 45 . -6.318 -6.821 4.860 1.00 0.00 . 1 614 45 1 ATOM H 3HG2 THR * 45 . -5.513 -7.558 6.235 1.00 0.00 . 1 615 46 1 ATOM N N PRO * 46 . -6.215 -5.979 2.469 1.00 0.00 . 1 616 46 1 ATOM C CA PRO * 46 . -6.820 -4.634 2.418 1.00 0.00 . 1 617 46 1 ATOM C C PRO * 46 . -6.613 -3.876 3.743 1.00 0.00 . 1 618 46 1 ATOM O O PRO * 46 . -6.554 -4.478 4.796 1.00 0.00 . 1 619 46 1 ATOM C CB PRO * 46 . -8.322 -4.896 2.204 1.00 0.00 . 1 620 46 1 ATOM C CG PRO * 46 . -8.511 -6.427 2.014 1.00 0.00 . 1 621 46 1 ATOM C CD PRO * 46 . -7.135 -7.081 2.136 1.00 0.00 . 1 622 46 1 ATOM H HA PRO * 46 . -6.411 -4.068 1.583 1.00 0.00 . 1 623 46 1 ATOM H 1HB PRO * 46 . -8.879 -4.568 3.066 1.00 0.00 . 1 624 46 1 ATOM H 2HB PRO * 46 . -8.666 -4.372 1.331 1.00 0.00 . 1 625 46 1 ATOM H 1HG PRO * 46 . -9.167 -6.816 2.774 1.00 0.00 . 1 626 46 1 ATOM H 2HG PRO * 46 . -8.925 -6.631 1.039 1.00 0.00 . 1 627 46 1 ATOM H 1HD PRO * 46 . -7.134 -7.819 2.919 1.00 0.00 . 1 628 46 1 ATOM H 2HD PRO * 46 . -6.853 -7.530 1.195 1.00 0.00 . 1 629 47 1 ATOM N N GLU * 47 . -6.505 -2.567 3.667 1.00 0.00 . 1 630 47 1 ATOM C CA GLU * 47 . -6.333 -1.784 4.897 1.00 0.00 . 1 631 47 1 ATOM C C GLU * 47 . -7.685 -1.495 5.616 1.00 0.00 . 1 632 47 1 ATOM O O GLU * 47 . -7.734 -1.504 6.830 1.00 0.00 . 1 633 47 1 ATOM C CB GLU * 47 . -5.614 -0.466 4.567 1.00 0.00 . 1 634 47 1 ATOM C CG GLU * 47 . -5.539 0.386 5.824 1.00 0.00 . 1 635 47 1 ATOM C CD GLU * 47 . -6.620 1.470 5.766 1.00 0.00 . 1 636 47 1 ATOM O OE1 GLU * 47 . -6.332 2.491 5.164 1.00 0.00 . 1 637 47 1 ATOM O OE2 GLU * 47 . -7.673 1.217 6.329 1.00 0.00 . 1 638 47 1 ATOM H H GLU * 47 . -6.520 -2.121 2.816 1.00 0.00 . 1 639 47 1 ATOM H HA GLU * 47 . -5.714 -2.353 5.560 1.00 0.00 . 1 640 47 1 ATOM H 1HB GLU * 47 . -4.618 -0.677 4.220 1.00 0.00 . 1 641 47 1 ATOM H 2HB GLU * 47 . -6.141 0.068 3.804 1.00 0.00 . 1 642 47 1 ATOM H 1HG GLU * 47 . -5.697 -0.232 6.692 1.00 0.00 . 1 643 47 1 ATOM H 2HG GLU * 47 . -4.571 0.850 5.886 1.00 0.00 . 1 644 48 1 ATOM N N PRO * 48 . -8.768 -1.242 4.869 1.00 0.00 . 1 646 48 1 ATOM C CA PRO * 48 . -10.051 -0.911 5.505 1.00 0.00 . 1 647 48 1 ATOM C C PRO * 48 . -10.540 -2.064 6.384 1.00 0.00 . 1 648 48 1 ATOM O O PRO * 48 . -10.400 -3.218 6.033 1.00 0.00 . 1 649 48 1 ATOM C CB PRO * 48 . -11.032 -0.676 4.346 1.00 0.00 . 1 650 48 1 ATOM C CG PRO * 48 . -10.227 -0.801 3.021 1.00 0.00 . 1 651 48 1 ATOM C CD PRO * 48 . -8.808 -1.271 3.389 1.00 0.00 . 1 652 48 1 ATOM H HA PRO * 48 . -9.947 -0.014 6.096 1.00 0.00 . 1 653 48 1 ATOM H 1HB PRO * 48 . -11.819 -1.418 4.371 1.00 0.00 . 1 654 48 1 ATOM H 2HB PRO * 48 . -11.466 0.310 4.423 1.00 0.00 . 1 655 48 1 ATOM H 1HG PRO * 48 . -10.698 -1.522 2.370 1.00 0.00 . 1 656 48 1 ATOM H 2HG PRO * 48 . -10.180 0.158 2.528 1.00 0.00 . 1 657 48 1 ATOM H 1HD PRO * 48 . -8.656 -2.268 3.031 1.00 0.00 . 1 658 48 1 ATOM H 2HD PRO * 48 . -8.077 -0.608 2.975 1.00 0.00 . 1 659 49 1 ATOM N N GLN * 49 . -11.104 -1.724 7.511 1.00 0.00 . 1 660 49 1 ATOM C CA GLN * 49 . -11.604 -2.787 8.431 1.00 0.00 . 1 661 49 1 ATOM C C GLN * 49 . -12.986 -3.271 7.989 1.00 0.00 . 1 662 49 1 ATOM O O GLN * 49 . -13.462 -4.200 8.620 1.00 0.00 . 1 663 49 1 ATOM C CB GLN * 49 . -11.700 -2.212 9.845 1.00 0.00 . 1 664 49 1 ATOM C CG GLN * 49 . -12.896 -1.262 9.924 1.00 0.00 . 1 665 49 1 ATOM C CD GLN * 49 . -14.143 -2.052 10.326 1.00 0.00 . 1 666 49 1 ATOM O OE1 GLN * 49 . -14.203 -2.641 11.387 1.00 0.00 . 1 667 49 1 ATOM N NE2 GLN * 49 . -15.159 -2.089 9.508 1.00 0.00 . 1 668 49 1 ATOM O OXT GLN * 49 . -13.488 -2.683 7.045 1.00 0.00 . 1 669 49 1 ATOM H H GLN * 49 . -11.200 -0.779 7.751 1.00 0.00 . 1 670 49 1 ATOM H HA GLN * 49 . -10.916 -3.619 8.422 1.00 0.00 . 1 671 49 1 ATOM H 1HB GLN * 49 . -11.827 -3.015 10.556 1.00 0.00 . 1 672 49 1 ATOM H 2HB GLN * 49 . -10.792 -1.673 10.080 1.00 0.00 . 1 673 49 1 ATOM H 1HG GLN * 49 . -12.705 -0.495 10.660 1.00 0.00 . 1 674 49 1 ATOM H 2HG GLN * 49 . -13.059 -0.800 8.962 1.00 0.00 . 1 675 49 1 ATOM H 1HE2 GLN * 49 . -15.443 -2.942 9.117 1.00 0.00 . 1 676 49 1 ATOM H 2HE2 GLN * 49 . -15.639 -1.264 9.284 1.00 0.00 . 1 677 1 2 ATOM N N VAL * 1 . -14.706 6.297 -6.489 1.00 0.00 . 1 815 1 2 ATOM C CA VAL * 1 . -14.367 6.153 -5.046 1.00 0.00 . 1 816 1 2 ATOM C C VAL * 1 . -12.873 5.879 -4.887 1.00 0.00 . 1 817 1 2 ATOM O O VAL * 1 . -12.287 5.154 -5.666 1.00 0.00 . 1 818 1 2 ATOM C CB VAL * 1 . -15.143 4.988 -4.422 1.00 0.00 . 1 819 1 2 ATOM C CG1 VAL * 1 . -15.076 3.776 -5.357 1.00 0.00 . 1 820 1 2 ATOM C CG2 VAL * 1 . -14.504 4.621 -3.080 1.00 0.00 . 1 821 1 2 ATOM H 1H VAL * 1 . -13.980 6.873 -6.960 1.00 0.00 . 1 822 1 2 ATOM H 2H VAL * 1 . -14.744 5.356 -6.931 1.00 0.00 . 1 823 1 2 ATOM H 3H VAL * 1 . -15.632 6.761 -6.581 1.00 0.00 . 1 824 1 2 ATOM H HA VAL * 1 . -14.615 7.069 -4.531 1.00 0.00 . 1 825 1 2 ATOM H HB VAL * 1 . -16.172 5.275 -4.269 1.00 0.00 . 1 826 1 2 ATOM H 1HG1 VAL * 1 . -14.052 3.600 -5.654 1.00 0.00 . 1 827 1 2 ATOM H 2HG1 VAL * 1 . -15.453 2.902 -4.848 1.00 0.00 . 1 828 1 2 ATOM H 3HG1 VAL * 1 . -15.674 3.959 -6.236 1.00 0.00 . 1 829 1 2 ATOM H 1HG2 VAL * 1 . -14.136 5.513 -2.594 1.00 0.00 . 1 830 1 2 ATOM H 2HG2 VAL * 1 . -15.235 4.146 -2.445 1.00 0.00 . 1 831 1 2 ATOM H 3HG2 VAL * 1 . -13.679 3.941 -3.243 1.00 0.00 . 1 832 2 2 ATOM N N VAL * 2 . -12.291 6.478 -3.881 1.00 0.00 . 1 833 2 2 ATOM C CA VAL * 2 . -10.847 6.238 -3.604 1.00 0.00 . 1 834 2 2 ATOM C C VAL * 2 . -10.708 5.573 -2.240 1.00 0.00 . 1 835 2 2 ATOM O O VAL * 2 . -11.654 5.524 -1.479 1.00 0.00 . 1 836 2 2 ATOM C CB VAL * 2 . -10.108 7.581 -3.594 1.00 0.00 . 1 837 2 2 ATOM C CG1 VAL * 2 . -8.594 7.340 -3.622 1.00 0.00 . 1 838 2 2 ATOM C CG2 VAL * 2 . -10.510 8.387 -4.833 1.00 0.00 . 1 839 2 2 ATOM H H VAL * 2 . -12.803 7.087 -3.309 1.00 0.00 . 1 840 2 2 ATOM H HA VAL * 2 . -10.432 5.591 -4.362 1.00 0.00 . 1 841 2 2 ATOM H HB VAL * 2 . -10.370 8.126 -2.704 1.00 0.00 . 1 842 2 2 ATOM H 1HG1 VAL * 2 . -8.350 6.604 -4.372 1.00 0.00 . 1 843 2 2 ATOM H 2HG1 VAL * 2 . -8.084 8.264 -3.855 1.00 0.00 . 1 844 2 2 ATOM H 3HG1 VAL * 2 . -8.262 6.989 -2.657 1.00 0.00 . 1 845 2 2 ATOM H 1HG2 VAL * 2 . -10.310 7.810 -5.724 1.00 0.00 . 1 846 2 2 ATOM H 2HG2 VAL * 2 . -11.564 8.621 -4.790 1.00 0.00 . 1 847 2 2 ATOM H 3HG2 VAL * 2 . -9.943 9.305 -4.868 1.00 0.00 . 1 848 3 2 ATOM N N TYR * 3 . -9.541 5.081 -1.954 1.00 0.00 . 1 849 3 2 ATOM C CA TYR * 3 . -9.341 4.408 -0.641 1.00 0.00 . 1 850 3 2 ATOM C C TYR * 3 . -8.703 5.370 0.355 1.00 0.00 . 1 851 3 2 ATOM O O TYR * 3 . -8.607 6.556 0.103 1.00 0.00 . 1 852 3 2 ATOM C CB TYR * 3 . -8.427 3.196 -0.834 1.00 0.00 . 1 853 3 2 ATOM C CG TYR * 3 . -9.243 2.046 -1.426 1.00 0.00 . 1 854 3 2 ATOM C CD1 TYR * 3 . -10.091 1.307 -0.625 1.00 0.00 . 1 855 3 2 ATOM C CD2 TYR * 3 . -9.147 1.731 -2.766 1.00 0.00 . 1 856 3 2 ATOM C CE1 TYR * 3 . -10.835 0.274 -1.156 1.00 0.00 . 1 857 3 2 ATOM C CE2 TYR * 3 . -9.890 0.696 -3.298 1.00 0.00 . 1 858 3 2 ATOM C CZ TYR * 3 . -10.741 -0.041 -2.496 1.00 0.00 . 1 859 3 2 ATOM O OH TYR * 3 . -11.487 -1.075 -3.027 1.00 0.00 . 1 860 3 2 ATOM H H TYR * 3 . -8.802 5.163 -2.589 1.00 0.00 . 1 861 3 2 ATOM H HA TYR * 3 . -10.295 4.082 -0.257 1.00 0.00 . 1 862 3 2 ATOM H 1HB TYR * 3 . -7.614 3.445 -1.501 1.00 0.00 . 1 863 3 2 ATOM H 2HB TYR * 3 . -8.025 2.892 0.115 1.00 0.00 . 1 864 3 2 ATOM H HD1 TYR * 3 . -10.176 1.544 0.425 1.00 0.00 . 1 865 3 2 ATOM H HD2 TYR * 3 . -8.487 2.299 -3.403 1.00 0.00 . 1 866 3 2 ATOM H HE1 TYR * 3 . -11.495 -0.293 -0.518 1.00 0.00 . 1 867 3 2 ATOM H HE2 TYR * 3 . -9.806 0.461 -4.348 1.00 0.00 . 1 868 3 2 ATOM H HH TYR * 3 . -11.370 -1.065 -3.978 1.00 0.00 . 1 869 4 2 ATOM N N THR * 4 . -8.276 4.833 1.463 1.00 0.00 . 1 870 4 2 ATOM C CA THR * 4 . -7.630 5.679 2.495 1.00 0.00 . 1 871 4 2 ATOM C C THR * 4 . -6.137 5.418 2.461 1.00 0.00 . 1 872 4 2 ATOM O O THR * 4 . -5.668 4.655 1.649 1.00 0.00 . 1 873 4 2 ATOM C CB THR * 4 . -8.202 5.305 3.873 1.00 0.00 . 1 874 4 2 ATOM O OG1 THR * 4 . -7.176 5.595 4.809 1.00 0.00 . 1 875 4 2 ATOM C CG2 THR * 4 . -8.427 3.794 3.989 1.00 0.00 . 1 876 4 2 ATOM H H THR * 4 . -8.356 3.864 1.602 1.00 0.00 . 1 877 4 2 ATOM H HA THR * 4 . -7.820 6.721 2.287 1.00 0.00 . 1 878 4 2 ATOM H HB THR * 4 . -9.094 5.863 4.099 1.00 0.00 . 1 879 4 2 ATOM H HG1 THR * 4 . -7.267 6.514 5.073 1.00 0.00 . 1 880 4 2 ATOM H 1HG2 THR * 4 . -7.678 3.269 3.414 1.00 0.00 . 1 881 4 2 ATOM H 2HG2 THR * 4 . -8.356 3.494 5.023 1.00 0.00 . 1 882 4 2 ATOM H 3HG2 THR * 4 . -9.406 3.542 3.611 1.00 0.00 . 1 883 5 2 ATOM N N ASP * 5 . -5.414 6.048 3.319 1.00 0.00 . 1 884 5 2 ATOM C CA ASP * 5 . -3.965 5.813 3.323 1.00 0.00 . 1 885 5 2 ATOM C C ASP * 5 . -3.624 4.639 4.225 1.00 0.00 . 1 886 5 2 ATOM O O ASP * 5 . -4.373 4.288 5.116 1.00 0.00 . 1 887 5 2 ATOM C CB ASP * 5 . -3.269 7.058 3.844 1.00 0.00 . 1 888 5 2 ATOM C CG ASP * 5 . -4.092 8.293 3.472 1.00 0.00 . 1 889 5 2 ATOM O OD1 ASP * 5 . -5.060 8.531 4.175 1.00 0.00 . 1 890 5 2 ATOM O OD2 ASP * 5 . -3.707 8.928 2.504 1.00 0.00 . 1 891 5 2 ATOM H H ASP * 5 . -5.821 6.667 3.961 1.00 0.00 . 1 892 5 2 ATOM H HA ASP * 5 . -3.629 5.599 2.323 1.00 0.00 . 1 893 5 2 ATOM H 1HB ASP * 5 . -3.186 6.993 4.911 1.00 0.00 . 1 894 5 2 ATOM H 2HB ASP * 5 . -2.283 7.138 3.410 1.00 0.00 . 1 895 6 2 ATOM N N CYS * 6 . -2.501 4.061 3.969 1.00 0.00 . 1 897 6 2 ATOM C CA CYS * 6 . -2.047 2.931 4.817 1.00 0.00 . 1 898 6 2 ATOM C C CYS * 6 . -1.586 3.418 6.171 1.00 0.00 . 1 899 6 2 ATOM O O CYS * 6 . -1.557 4.601 6.450 1.00 0.00 . 1 900 6 2 ATOM C CB CYS * 6 . -0.812 2.301 4.171 1.00 0.00 . 1 901 6 2 ATOM S SG CYS * 6 . -1.027 0.933 3.044 1.00 0.00 . 1 902 6 2 ATOM H H CYS * 6 . -2.011 4.299 3.161 1.00 0.00 . 1 903 6 2 ATOM H HA CYS * 6 . -2.836 2.201 4.928 1.00 0.00 . 1 904 6 2 ATOM H 1HB CYS * 6 . -0.295 3.069 3.651 1.00 0.00 . 1 905 6 2 ATOM H 2HB CYS * 6 . -0.165 1.963 4.951 1.00 0.00 . 1 906 7 2 ATOM N N THR * 7 . -1.243 2.471 6.975 1.00 0.00 . 1 908 7 2 ATOM C CA THR * 7 . -0.696 2.786 8.329 1.00 0.00 . 1 909 7 2 ATOM C C THR * 7 . 0.664 2.142 8.495 1.00 0.00 . 1 910 7 2 ATOM O O THR * 7 . 1.454 2.518 9.338 1.00 0.00 . 1 911 7 2 ATOM C CB THR * 7 . -1.655 2.267 9.408 1.00 0.00 . 1 912 7 2 ATOM O OG1 THR * 7 . -2.194 1.066 8.873 1.00 0.00 . 1 913 7 2 ATOM C CG2 THR * 7 . -2.861 3.196 9.581 1.00 0.00 . 1 914 7 2 ATOM H H THR * 7 . -1.346 1.543 6.681 1.00 0.00 . 1 915 7 2 ATOM H HA THR * 7 . -0.578 3.816 8.411 1.00 0.00 . 1 916 7 2 ATOM H HB THR * 7 . -1.149 2.084 10.343 1.00 0.00 . 1 917 7 2 ATOM H HG1 THR * 7 . -2.735 0.656 9.552 1.00 0.00 . 1 918 7 2 ATOM H 1HG2 THR * 7 . -2.870 3.937 8.796 1.00 0.00 . 1 919 7 2 ATOM H 2HG2 THR * 7 . -3.773 2.621 9.536 1.00 0.00 . 1 920 7 2 ATOM H 3HG2 THR * 7 . -2.803 3.693 10.539 1.00 0.00 . 1 921 8 2 ATOM N N GLU * 8 . 0.885 1.194 7.681 1.00 0.00 . 1 922 8 2 ATOM C CA GLU * 8 . 2.192 0.473 7.688 1.00 0.00 . 1 923 8 2 ATOM C C GLU * 8 . 2.377 -0.312 6.387 1.00 0.00 . 1 924 8 2 ATOM O O GLU * 8 . 1.437 -0.557 5.658 1.00 0.00 . 1 925 8 2 ATOM C CB GLU * 8 . 2.263 -0.475 8.891 1.00 0.00 . 1 926 8 2 ATOM C CG GLU * 8 . 1.098 -1.464 8.847 1.00 0.00 . 1 927 8 2 ATOM C CD GLU * 8 . 0.660 -1.784 10.278 1.00 0.00 . 1 928 8 2 ATOM O OE1 GLU * 8 . 1.512 -2.260 11.011 1.00 0.00 . 1 929 8 2 ATOM O OE2 GLU * 8 . -0.501 -1.532 10.558 1.00 0.00 . 1 930 8 2 ATOM H H GLU * 8 . 0.205 0.972 7.042 1.00 0.00 . 1 931 8 2 ATOM H HA GLU * 8 . 2.990 1.202 7.757 1.00 0.00 . 1 932 8 2 ATOM H 1HB GLU * 8 . 3.197 -1.015 8.868 1.00 0.00 . 1 933 8 2 ATOM H 2HB GLU * 8 . 2.214 0.100 9.804 1.00 0.00 . 1 934 8 2 ATOM H 1HG GLU * 8 . 0.270 -1.034 8.311 1.00 0.00 . 1 935 8 2 ATOM H 2HG GLU * 8 . 1.409 -2.374 8.357 1.00 0.00 . 1 936 9 2 ATOM N N SER * 9 . 3.591 -0.690 6.139 1.00 0.00 . 1 938 9 2 ATOM C CA SER * 9 . 3.916 -1.412 4.897 1.00 0.00 . 1 939 9 2 ATOM C C SER * 9 . 3.255 -2.805 4.879 1.00 0.00 . 1 940 9 2 ATOM O O SER * 9 . 2.889 -3.329 5.911 1.00 0.00 . 1 941 9 2 ATOM C CB SER * 9 . 5.432 -1.532 4.886 1.00 0.00 . 1 942 9 2 ATOM O OG SER * 9 . 5.856 -0.536 5.805 1.00 0.00 . 1 943 9 2 ATOM H H SER * 9 . 4.302 -0.510 6.784 1.00 0.00 . 1 944 9 2 ATOM H HA SER * 9 . 3.581 -0.845 4.043 1.00 0.00 . 1 945 9 2 ATOM H 1HB SER * 9 . 5.728 -2.481 5.227 1.00 0.00 . 1 946 9 2 ATOM H 2HB SER * 9 . 5.840 -1.332 3.921 1.00 0.00 . 1 947 9 2 ATOM H HG SER * 9 . 6.365 -0.967 6.495 1.00 0.00 . 1 948 10 2 ATOM N N GLY * 10 . 3.119 -3.377 3.697 1.00 0.00 . 1 949 10 2 ATOM C CA GLY * 10 . 2.461 -4.730 3.604 1.00 0.00 . 1 950 10 2 ATOM C C GLY * 10 . 0.950 -4.620 3.300 1.00 0.00 . 1 951 10 2 ATOM O O GLY * 10 . 0.356 -5.545 2.783 1.00 0.00 . 1 952 10 2 ATOM H H GLY * 10 . 3.473 -2.938 2.889 1.00 0.00 . 1 953 10 2 ATOM H 1HA GLY * 10 . 2.931 -5.298 2.820 1.00 0.00 . 1 954 10 2 ATOM H 2HA GLY * 10 . 2.595 -5.250 4.539 1.00 0.00 . 1 955 11 2 ATOM N N GLN * 11 . 0.366 -3.501 3.624 1.00 0.00 . 1 956 11 2 ATOM C CA GLN * 11 . -1.110 -3.333 3.387 1.00 0.00 . 1 957 11 2 ATOM C C GLN * 11 . -1.447 -3.430 1.887 1.00 0.00 . 1 958 11 2 ATOM O O GLN * 11 . -0.629 -3.867 1.102 1.00 0.00 . 1 959 11 2 ATOM C CB GLN * 11 . -1.517 -1.980 3.938 1.00 0.00 . 1 960 11 2 ATOM C CG GLN * 11 . -2.287 -2.170 5.241 1.00 0.00 . 1 961 11 2 ATOM C CD GLN * 11 . -2.367 -0.827 5.967 1.00 0.00 . 1 962 11 2 ATOM O OE1 GLN * 11 . -3.361 -0.133 5.910 1.00 0.00 . 1 963 11 2 ATOM N NE2 GLN * 11 . -1.340 -0.423 6.655 1.00 0.00 . 1 964 11 2 ATOM H H GLN * 11 . 0.886 -2.770 4.018 1.00 0.00 . 1 965 11 2 ATOM H HA GLN * 11 . -1.644 -4.108 3.908 1.00 0.00 . 1 966 11 2 ATOM H 1HB GLN * 11 . -0.630 -1.403 4.133 1.00 0.00 . 1 967 11 2 ATOM H 2HB GLN * 11 . -2.134 -1.463 3.224 1.00 0.00 . 1 968 11 2 ATOM H 1HG GLN * 11 . -3.281 -2.527 5.029 1.00 0.00 . 1 969 11 2 ATOM H 2HG GLN * 11 . -1.777 -2.883 5.872 1.00 0.00 . 1 970 11 2 ATOM H 1HE2 GLN * 11 . -0.503 -0.934 6.630 1.00 0.00 . 1 971 11 2 ATOM H 2HE2 GLN * 11 . -1.401 0.389 7.196 1.00 0.00 . 1 972 12 2 ATOM N N ASN * 12 . -2.651 -3.022 1.515 1.00 0.00 . 1 973 12 2 ATOM C CA ASN * 12 . -3.052 -3.180 0.076 1.00 0.00 . 1 974 12 2 ATOM C C ASN * 12 . -3.918 -2.058 -0.466 1.00 0.00 . 1 975 12 2 ATOM O O ASN * 12 . -3.435 -1.196 -1.159 1.00 0.00 . 1 976 12 2 ATOM C CB ASN * 12 . -3.809 -4.514 -0.052 1.00 0.00 . 1 977 12 2 ATOM C CG ASN * 12 . -4.151 -4.789 -1.518 1.00 0.00 . 1 978 12 2 ATOM O OD1 ASN * 12 . -4.903 -4.067 -2.138 1.00 0.00 . 1 979 12 2 ATOM N ND2 ASN * 12 . -3.629 -5.830 -2.106 1.00 0.00 . 1 980 12 2 ATOM H H ASN * 12 . -3.269 -2.635 2.169 1.00 0.00 . 1 981 12 2 ATOM H HA ASN * 12 . -2.184 -3.201 -0.515 1.00 0.00 . 1 982 12 2 ATOM H 1HB ASN * 12 . -3.195 -5.319 0.324 1.00 0.00 . 1 983 12 2 ATOM H 2HB ASN * 12 . -4.723 -4.467 0.521 1.00 0.00 . 1 984 12 2 ATOM H 1HD2 ASN * 12 . -2.656 -5.919 -2.173 1.00 0.00 . 1 985 12 2 ATOM H 2HD2 ASN * 12 . -4.211 -6.525 -2.481 1.00 0.00 . 1 986 13 2 ATOM N N LEU * 13 . -5.156 -2.083 -0.164 1.00 0.00 . 1 987 13 2 ATOM C CA LEU * 13 . -6.053 -1.093 -0.784 1.00 0.00 . 1 988 13 2 ATOM C C LEU * 13 . -5.871 0.274 -0.158 1.00 0.00 . 1 989 13 2 ATOM O O LEU * 13 . -6.829 0.917 0.194 1.00 0.00 . 1 990 13 2 ATOM C CB LEU * 13 . -7.501 -1.544 -0.592 1.00 0.00 . 1 991 13 2 ATOM C CG LEU * 13 . -7.766 -2.781 -1.470 1.00 0.00 . 1 992 13 2 ATOM C CD1 LEU * 13 . -9.144 -3.364 -1.132 1.00 0.00 . 1 993 13 2 ATOM C CD2 LEU * 13 . -7.740 -2.393 -2.958 1.00 0.00 . 1 994 13 2 ATOM H H LEU * 13 . -5.494 -2.739 0.435 1.00 0.00 . 1 995 13 2 ATOM H HA LEU * 13 . -5.830 -1.041 -1.824 1.00 0.00 . 1 996 13 2 ATOM H 1HB LEU * 13 . -7.663 -1.792 0.446 1.00 0.00 . 1 997 13 2 ATOM H 2HB LEU * 13 . -8.173 -0.744 -0.870 1.00 0.00 . 1 998 13 2 ATOM H HG LEU * 13 . -7.005 -3.518 -1.282 1.00 0.00 . 1 999 13 2 ATOM H 1HD1 LEU * 13 . -9.313 -3.320 -0.067 1.00 0.00 . 1 1000 13 2 ATOM H 2HD1 LEU * 13 . -9.912 -2.799 -1.639 1.00 0.00 . 1 1001 13 2 ATOM H 3HD1 LEU * 13 . -9.192 -4.393 -1.455 1.00 0.00 . 1 1002 13 2 ATOM H 1HD2 LEU * 13 . -8.007 -1.354 -3.077 1.00 0.00 . 1 1003 13 2 ATOM H 2HD2 LEU * 13 . -6.750 -2.553 -3.358 1.00 0.00 . 1 1004 13 2 ATOM H 3HD2 LEU * 13 . -8.444 -3.003 -3.504 1.00 0.00 . 1 1005 14 2 ATOM N N CYS * 14 . -4.635 0.698 -0.041 1.00 0.00 . 1 1006 14 2 ATOM C CA CYS * 14 . -4.381 2.060 0.527 1.00 0.00 . 1 1007 14 2 ATOM C C CYS * 14 . -3.639 2.915 -0.456 1.00 0.00 . 1 1008 14 2 ATOM O O CYS * 14 . -3.728 2.729 -1.641 1.00 0.00 . 1 1009 14 2 ATOM C CB CYS * 14 . -3.486 1.957 1.733 1.00 0.00 . 1 1010 14 2 ATOM S SG CYS * 14 . -1.726 1.788 1.394 1.00 0.00 . 1 1011 14 2 ATOM H H CYS * 14 . -3.872 0.116 -0.322 1.00 0.00 . 1 1012 14 2 ATOM H HA CYS * 14 . -5.312 2.541 0.789 1.00 0.00 . 1 1013 14 2 ATOM H 1HB CYS * 14 . -3.631 2.838 2.328 1.00 0.00 . 1 1014 14 2 ATOM H 2HB CYS * 14 . -3.782 1.130 2.317 1.00 0.00 . 1 1015 15 2 ATOM N N LEU * 15 . -2.893 3.835 0.092 1.00 0.00 . 1 1017 15 2 ATOM C CA LEU * 15 . -2.086 4.748 -0.754 1.00 0.00 . 1 1018 15 2 ATOM C C LEU * 15 . -0.628 4.672 -0.368 1.00 0.00 . 1 1019 15 2 ATOM O O LEU * 15 . -0.289 4.718 0.799 1.00 0.00 . 1 1020 15 2 ATOM C CB LEU * 15 . -2.579 6.169 -0.562 1.00 0.00 . 1 1021 15 2 ATOM C CG LEU * 15 . -4.038 6.247 -0.987 1.00 0.00 . 1 1022 15 2 ATOM C CD1 LEU * 15 . -4.736 7.305 -0.158 1.00 0.00 . 1 1023 15 2 ATOM C CD2 LEU * 15 . -4.107 6.617 -2.454 1.00 0.00 . 1 1024 15 2 ATOM H H LEU * 15 . -2.860 3.915 1.074 1.00 0.00 . 1 1025 15 2 ATOM H HA LEU * 15 . -2.185 4.468 -1.776 1.00 0.00 . 1 1026 15 2 ATOM H 1HB LEU * 15 . -2.485 6.449 0.477 1.00 0.00 . 1 1027 15 2 ATOM H 2HB LEU * 15 . -1.987 6.842 -1.166 1.00 0.00 . 1 1028 15 2 ATOM H HG LEU * 15 . -4.515 5.309 -0.838 1.00 0.00 . 1 1029 15 2 ATOM H 1HD1 LEU * 15 . -4.185 8.229 -0.215 1.00 0.00 . 1 1030 15 2 ATOM H 2HD1 LEU * 15 . -5.733 7.458 -0.530 1.00 0.00 . 1 1031 15 2 ATOM H 3HD1 LEU * 15 . -4.785 6.982 0.870 1.00 0.00 . 1 1032 15 2 ATOM H 1HD2 LEU * 15 . -3.512 5.925 -3.030 1.00 0.00 . 1 1033 15 2 ATOM H 2HD2 LEU * 15 . -5.126 6.579 -2.795 1.00 0.00 . 1 1034 15 2 ATOM H 3HD2 LEU * 15 . -3.725 7.600 -2.588 1.00 0.00 . 1 1035 16 2 ATOM N N CYS * 16 . 0.205 4.557 -1.362 1.00 0.00 . 1 1036 16 2 ATOM C CA CYS * 16 . 1.679 4.478 -1.081 1.00 0.00 . 1 1037 16 2 ATOM C C CYS * 16 . 2.412 5.621 -1.768 1.00 0.00 . 1 1038 16 2 ATOM O O CYS * 16 . 2.933 6.506 -1.118 1.00 0.00 . 1 1039 16 2 ATOM C CB CYS * 16 . 2.229 3.151 -1.598 1.00 0.00 . 1 1040 16 2 ATOM S SG CYS * 16 . 2.244 1.753 -0.447 1.00 0.00 . 1 1041 16 2 ATOM H H CYS * 16 . -0.139 4.526 -2.297 1.00 0.00 . 1 1042 16 2 ATOM H HA CYS * 16 . 1.847 4.544 -0.018 1.00 0.00 . 1 1043 16 2 ATOM H 1HB CYS * 16 . 1.655 2.864 -2.458 1.00 0.00 . 1 1044 16 2 ATOM H 2HB CYS * 16 . 3.245 3.314 -1.925 1.00 0.00 . 1 1045 17 2 ATOM N N GLU * 17 . 2.444 5.580 -3.065 1.00 0.00 . 1 1047 17 2 ATOM C CA GLU * 17 . 3.138 6.660 -3.805 1.00 0.00 . 1 1048 17 2 ATOM C C GLU * 17 . 2.197 7.852 -4.004 1.00 0.00 . 1 1049 17 2 ATOM O O GLU * 17 . 1.501 7.947 -4.999 1.00 0.00 . 1 1050 17 2 ATOM C CB GLU * 17 . 3.579 6.123 -5.170 1.00 0.00 . 1 1051 17 2 ATOM C CG GLU * 17 . 4.710 5.105 -4.978 1.00 0.00 . 1 1052 17 2 ATOM C CD GLU * 17 . 5.979 5.628 -5.656 1.00 0.00 . 1 1053 17 2 ATOM O OE1 GLU * 17 . 5.866 5.973 -6.820 1.00 0.00 . 1 1054 17 2 ATOM O OE2 GLU * 17 . 6.988 5.653 -4.971 1.00 0.00 . 1 1055 17 2 ATOM H H GLU * 17 . 2.013 4.845 -3.550 1.00 0.00 . 1 1056 17 2 ATOM H HA GLU * 17 . 4.002 6.981 -3.237 1.00 0.00 . 1 1057 17 2 ATOM H 1HB GLU * 17 . 2.742 5.647 -5.657 1.00 0.00 . 1 1058 17 2 ATOM H 2HB GLU * 17 . 3.927 6.940 -5.784 1.00 0.00 . 1 1059 17 2 ATOM H 1HG GLU * 17 . 4.902 4.956 -3.925 1.00 0.00 . 1 1060 17 2 ATOM H 2HG GLU * 17 . 4.431 4.162 -5.425 1.00 0.00 . 1 1061 18 2 ATOM N N GLY * 18 . 2.188 8.730 -3.043 1.00 0.00 . 1 1063 18 2 ATOM C CA GLY * 18 . 1.329 9.938 -3.161 1.00 0.00 . 1 1064 18 2 ATOM C C GLY * 18 . -0.153 9.577 -3.043 1.00 0.00 . 1 1065 18 2 ATOM O O GLY * 18 . -0.579 8.984 -2.071 1.00 0.00 . 1 1066 18 2 ATOM H H GLY * 18 . 2.741 8.595 -2.245 1.00 0.00 . 1 1067 18 2 ATOM H 1HA GLY * 18 . 1.588 10.633 -2.375 1.00 0.00 . 1 1068 18 2 ATOM H 2HA GLY * 18 . 1.505 10.406 -4.118 1.00 0.00 . 1 1069 19 2 ATOM N N SER * 19 . -0.906 9.945 -4.045 1.00 0.00 . 1 1070 19 2 ATOM C CA SER * 19 . -2.361 9.690 -4.008 1.00 0.00 . 1 1071 19 2 ATOM C C SER * 19 . -2.710 8.461 -4.790 1.00 0.00 . 1 1072 19 2 ATOM O O SER * 19 . -3.860 8.087 -4.919 1.00 0.00 . 1 1073 19 2 ATOM C CB SER * 19 . -3.046 10.871 -4.632 1.00 0.00 . 1 1074 19 2 ATOM O OG SER * 19 . -3.780 10.321 -5.716 1.00 0.00 . 1 1075 19 2 ATOM H H SER * 19 . -0.516 10.389 -4.807 1.00 0.00 . 1 1076 19 2 ATOM H HA SER * 19 . -2.653 9.570 -3.021 1.00 0.00 . 1 1077 19 2 ATOM H 1HB SER * 19 . -3.706 11.359 -3.929 1.00 0.00 . 1 1078 19 2 ATOM H 2HB SER * 19 . -2.308 11.546 -4.998 1.00 0.00 . 1 1079 19 2 ATOM H HG SER * 19 . -3.543 10.803 -6.511 1.00 0.00 . 1 1080 20 2 ATOM N N ASN * 20 . -1.720 7.873 -5.284 1.00 0.00 . 1 1081 20 2 ATOM C CA ASN * 20 . -1.926 6.634 -6.090 1.00 0.00 . 1 1082 20 2 ATOM C C ASN * 20 . -2.136 5.422 -5.177 1.00 0.00 . 1 1083 20 2 ATOM O O ASN * 20 . -1.348 5.170 -4.269 1.00 0.00 . 1 1084 20 2 ATOM C CB ASN * 20 . -0.698 6.392 -6.967 1.00 0.00 . 1 1085 20 2 ATOM C CG ASN * 20 . -0.726 7.352 -8.160 1.00 0.00 . 1 1086 20 2 ATOM O OD1 ASN * 20 . 0.288 7.882 -8.568 1.00 0.00 . 1 1087 20 2 ATOM N ND2 ASN * 20 . -1.864 7.599 -8.750 1.00 0.00 . 1 1088 20 2 ATOM H H ASN * 20 . -0.833 8.250 -5.136 1.00 0.00 . 1 1089 20 2 ATOM H HA ASN * 20 . -2.799 6.758 -6.713 1.00 0.00 . 1 1090 20 2 ATOM H 1HB ASN * 20 . 0.201 6.561 -6.394 1.00 0.00 . 1 1091 20 2 ATOM H 2HB ASN * 20 . -0.706 5.373 -7.326 1.00 0.00 . 1 1092 20 2 ATOM H 1HD2 ASN * 20 . -2.060 7.205 -9.626 1.00 0.00 . 1 1093 20 2 ATOM H 2HD2 ASN * 20 . -2.524 8.179 -8.317 1.00 0.00 . 1 1094 21 2 ATOM N N VAL * 21 . -3.201 4.693 -5.426 1.00 0.00 . 1 1095 21 2 ATOM C CA VAL * 21 . -3.461 3.495 -4.600 1.00 0.00 . 1 1096 21 2 ATOM C C VAL * 21 . -2.583 2.371 -5.059 1.00 0.00 . 1 1097 21 2 ATOM O O VAL * 21 . -2.243 2.274 -6.221 1.00 0.00 . 1 1098 21 2 ATOM C CB VAL * 21 . -4.959 3.081 -4.690 1.00 0.00 . 1 1099 21 2 ATOM C CG1 VAL * 21 . -5.102 1.548 -4.846 1.00 0.00 . 1 1100 21 2 ATOM C CG2 VAL * 21 . -5.716 3.480 -3.412 1.00 0.00 . 1 1101 21 2 ATOM H H VAL * 21 . -3.807 4.936 -6.139 1.00 0.00 . 1 1102 21 2 ATOM H HA VAL * 21 . -3.211 3.721 -3.621 1.00 0.00 . 1 1103 21 2 ATOM H HB VAL * 21 . -5.401 3.569 -5.528 1.00 0.00 . 1 1104 21 2 ATOM H 1HG1 VAL * 21 . -4.554 1.042 -4.060 1.00 0.00 . 1 1105 21 2 ATOM H 2HG1 VAL * 21 . -6.145 1.277 -4.765 1.00 0.00 . 1 1106 21 2 ATOM H 3HG1 VAL * 21 . -4.733 1.231 -5.808 1.00 0.00 . 1 1107 21 2 ATOM H 1HG2 VAL * 21 . -5.215 4.279 -2.905 1.00 0.00 . 1 1108 21 2 ATOM H 2HG2 VAL * 21 . -6.711 3.798 -3.670 1.00 0.00 . 1 1109 21 2 ATOM H 3HG2 VAL * 21 . -5.782 2.625 -2.751 1.00 0.00 . 1 1110 22 2 ATOM N N CYS * 22 . -2.228 1.546 -4.140 1.00 0.00 . 1 1111 22 2 ATOM C CA CYS * 22 . -1.348 0.407 -4.513 1.00 0.00 . 1 1112 22 2 ATOM C C CYS * 22 . -1.644 -0.798 -3.648 1.00 0.00 . 1 1113 22 2 ATOM O O CYS * 22 . -1.544 -0.730 -2.441 1.00 0.00 . 1 1114 22 2 ATOM C CB CYS * 22 . 0.089 0.839 -4.309 1.00 0.00 . 1 1115 22 2 ATOM S SG CYS * 22 . 0.912 1.667 -5.689 1.00 0.00 . 1 1116 22 2 ATOM H H CYS * 22 . -2.540 1.680 -3.189 1.00 0.00 . 1 1117 22 2 ATOM H HA CYS * 22 . -1.510 0.150 -5.551 1.00 0.00 . 1 1118 22 2 ATOM H 1HB CYS * 22 . 0.108 1.509 -3.472 1.00 0.00 . 1 1119 22 2 ATOM H 2HB CYS * 22 . 0.671 -0.032 -4.047 1.00 0.00 . 1 1120 23 2 ATOM N N GLY * 23 . -1.979 -1.892 -4.272 1.00 0.00 . 1 1122 23 2 ATOM C CA GLY * 23 . -2.326 -3.079 -3.470 1.00 0.00 . 1 1123 23 2 ATOM C C GLY * 23 . -2.908 -4.190 -4.330 1.00 0.00 . 1 1124 23 2 ATOM O O GLY * 23 . -2.197 -5.039 -4.785 1.00 0.00 . 1 1125 23 2 ATOM H H GLY * 23 . -1.980 -1.933 -5.252 1.00 0.00 . 1 1126 23 2 ATOM H 1HA GLY * 23 . -1.445 -3.438 -2.968 1.00 0.00 . 1 1127 23 2 ATOM H 2HA GLY * 23 . -3.048 -2.795 -2.747 1.00 0.00 . 1 1128 24 2 ATOM N N GLN * 24 . -4.203 -4.153 -4.525 1.00 0.00 . 1 1129 24 2 ATOM C CA GLN * 24 . -4.871 -5.227 -5.316 1.00 0.00 . 1 1130 24 2 ATOM C C GLN * 24 . -4.025 -5.633 -6.529 1.00 0.00 . 1 1131 24 2 ATOM O O GLN * 24 . -3.605 -4.799 -7.308 1.00 0.00 . 1 1132 24 2 ATOM C CB GLN * 24 . -6.231 -4.700 -5.774 1.00 0.00 . 1 1133 24 2 ATOM C CG GLN * 24 . -6.839 -5.670 -6.784 1.00 0.00 . 1 1134 24 2 ATOM C CD GLN * 24 . -8.332 -5.366 -6.943 1.00 0.00 . 1 1135 24 2 ATOM O OE1 GLN * 24 . -8.824 -4.359 -6.475 1.00 0.00 . 1 1136 24 2 ATOM N NE2 GLN * 24 . -9.084 -6.209 -7.596 1.00 0.00 . 1 1137 24 2 ATOM H H GLN * 24 . -4.732 -3.421 -4.159 1.00 0.00 . 1 1138 24 2 ATOM H HA GLN * 24 . -5.010 -6.087 -4.685 1.00 0.00 . 1 1139 24 2 ATOM H 1HB GLN * 24 . -6.888 -4.607 -4.918 1.00 0.00 . 1 1140 24 2 ATOM H 2HB GLN * 24 . -6.109 -3.730 -6.228 1.00 0.00 . 1 1141 24 2 ATOM H 1HG GLN * 24 . -6.347 -5.557 -7.738 1.00 0.00 . 1 1142 24 2 ATOM H 2HG GLN * 24 . -6.715 -6.684 -6.435 1.00 0.00 . 1 1143 24 2 ATOM H 1HE2 GLN * 24 . -8.789 -7.135 -7.719 1.00 0.00 . 1 1144 24 2 ATOM H 2HE2 GLN * 24 . -9.944 -5.915 -7.963 1.00 0.00 . 1 1145 25 2 ATOM N N GLY * 25 . -3.797 -6.918 -6.658 1.00 0.00 . 1 1146 25 2 ATOM C CA GLY * 25 . -2.943 -7.416 -7.778 1.00 0.00 . 1 1147 25 2 ATOM C C GLY * 25 . -1.488 -7.460 -7.313 1.00 0.00 . 1 1148 25 2 ATOM O O GLY * 25 . -0.677 -8.202 -7.833 1.00 0.00 . 1 1149 25 2 ATOM H H GLY * 25 . -4.186 -7.552 -6.020 1.00 0.00 . 1 1150 25 2 ATOM H 1HA GLY * 25 . -3.260 -8.408 -8.063 1.00 0.00 . 1 1151 25 2 ATOM H 2HA GLY * 25 . -3.031 -6.751 -8.626 1.00 0.00 . 1 1152 26 2 ATOM N N ASN * 26 . -1.205 -6.655 -6.334 1.00 0.00 . 1 1153 26 2 ATOM C CA ASN * 26 . 0.175 -6.602 -5.766 1.00 0.00 . 1 1154 26 2 ATOM C C ASN * 26 . 0.103 -6.377 -4.249 1.00 0.00 . 1 1155 26 2 ATOM O O ASN * 26 . -0.917 -6.609 -3.631 1.00 0.00 . 1 1156 26 2 ATOM C CB ASN * 26 . 0.934 -5.440 -6.415 1.00 0.00 . 1 1157 26 2 ATOM C CG ASN * 26 . 1.263 -5.775 -7.874 1.00 0.00 . 1 1158 26 2 ATOM O OD1 ASN * 26 . 2.410 -5.803 -8.276 1.00 0.00 . 1 1159 26 2 ATOM N ND2 ASN * 26 . 0.286 -6.026 -8.702 1.00 0.00 . 1 1160 26 2 ATOM H H ASN * 26 . -1.902 -6.084 -5.971 1.00 0.00 . 1 1161 26 2 ATOM H HA ASN * 26 . 0.675 -7.511 -5.968 1.00 0.00 . 1 1162 26 2 ATOM H 1HB ASN * 26 . 0.349 -4.603 -6.397 1.00 0.00 . 1 1163 26 2 ATOM H 2HB ASN * 26 . 1.836 -5.228 -5.872 1.00 0.00 . 1 1164 26 2 ATOM H 1HD2 ASN * 26 . 0.471 -6.455 -9.563 1.00 0.00 . 1 1165 26 2 ATOM H 2HD2 ASN * 26 . -0.634 -5.787 -8.460 1.00 0.00 . 1 1166 27 2 ATOM N N LYS * 27 . 1.193 -5.960 -3.682 1.00 0.00 . 1 1167 27 2 ATOM C CA LYS * 27 . 1.187 -5.624 -2.224 1.00 0.00 . 1 1168 27 2 ATOM C C LYS * 27 . 2.007 -4.356 -2.002 1.00 0.00 . 1 1169 27 2 ATOM O O LYS * 27 . 2.994 -4.139 -2.666 1.00 0.00 . 1 1170 27 2 ATOM C CB LYS * 27 . 1.783 -6.789 -1.406 1.00 0.00 . 1 1171 27 2 ATOM C CG LYS * 27 . 3.182 -7.153 -1.925 1.00 0.00 . 1 1172 27 2 ATOM C CD LYS * 27 . 3.902 -8.008 -0.873 1.00 0.00 . 1 1173 27 2 ATOM C CE LYS * 27 . 4.571 -7.093 0.169 1.00 0.00 . 1 1174 27 2 ATOM N NZ LYS * 27 . 4.402 -7.653 1.539 1.00 0.00 . 1 1175 27 2 ATOM H H LYS * 27 . 2.015 -5.877 -4.205 1.00 0.00 . 1 1176 27 2 ATOM H HA LYS * 27 . 0.171 -5.445 -1.906 1.00 0.00 . 1 1177 27 2 ATOM H 1HB LYS * 27 . 1.849 -6.501 -0.367 1.00 0.00 . 1 1178 27 2 ATOM H 2HB LYS * 27 . 1.136 -7.650 -1.487 1.00 0.00 . 1 1179 27 2 ATOM H 1HG LYS * 27 . 3.092 -7.709 -2.846 1.00 0.00 . 1 1180 27 2 ATOM H 2HG LYS * 27 . 3.750 -6.263 -2.109 1.00 0.00 . 1 1181 27 2 ATOM H 1HD LYS * 27 . 3.189 -8.653 -0.382 1.00 0.00 . 1 1182 27 2 ATOM H 2HD LYS * 27 . 4.653 -8.615 -1.356 1.00 0.00 . 1 1183 27 2 ATOM H 1HE LYS * 27 . 5.627 -7.008 -0.048 1.00 0.00 . 1 1184 27 2 ATOM H 2HE LYS * 27 . 4.126 -6.109 0.140 1.00 0.00 . 1 1185 27 2 ATOM H 1HZ LYS * 27 . 3.882 -8.552 1.484 1.00 0.00 . 1 1186 27 2 ATOM H 2HZ LYS * 27 . 5.335 -7.816 1.964 1.00 0.00 . 1 1187 27 2 ATOM H 3HZ LYS * 27 . 3.866 -6.979 2.124 1.00 0.00 . 1 1188 28 2 ATOM N N CYS * 28 . 1.585 -3.528 -1.096 1.00 0.00 . 1 1189 28 2 ATOM C CA CYS * 28 . 2.376 -2.296 -0.866 1.00 0.00 . 1 1190 28 2 ATOM C C CYS * 28 . 3.420 -2.516 0.167 1.00 0.00 . 1 1191 28 2 ATOM O O CYS * 28 . 3.364 -3.425 0.961 1.00 0.00 . 1 1192 28 2 ATOM C CB CYS * 28 . 1.508 -1.173 -0.374 1.00 0.00 . 1 1193 28 2 ATOM S SG CYS * 28 . 1.312 0.265 -1.447 1.00 0.00 . 1 1194 28 2 ATOM H H CYS * 28 . 0.771 -3.711 -0.581 1.00 0.00 . 1 1195 28 2 ATOM H HA CYS * 28 . 2.847 -1.993 -1.780 1.00 0.00 . 1 1196 28 2 ATOM H 1HB CYS * 28 . 0.573 -1.562 -0.181 1.00 0.00 . 1 1197 28 2 ATOM H 2HB CYS * 28 . 1.915 -0.826 0.565 1.00 0.00 . 1 1198 29 2 ATOM N N ILE * 29 . 4.331 -1.654 0.121 1.00 0.00 . 1 1200 29 2 ATOM C CA ILE * 29 . 5.427 -1.657 1.106 1.00 0.00 . 1 1201 29 2 ATOM C C ILE * 29 . 5.862 -0.210 1.353 1.00 0.00 . 1 1202 29 2 ATOM O O ILE * 29 . 6.684 0.315 0.628 1.00 0.00 . 1 1203 29 2 ATOM C CB ILE * 29 . 6.607 -2.440 0.546 1.00 0.00 . 1 1204 29 2 ATOM C CG1 ILE * 29 . 6.312 -3.956 0.531 1.00 0.00 . 1 1205 29 2 ATOM C CG2 ILE * 29 . 7.857 -2.163 1.387 1.00 0.00 . 1 1206 29 2 ATOM C CD1 ILE * 29 . 6.055 -4.490 1.951 1.00 0.00 . 1 1207 29 2 ATOM H H ILE * 29 . 4.295 -0.986 -0.577 1.00 0.00 . 1 1208 29 2 ATOM H HA ILE * 29 . 5.085 -2.095 2.002 1.00 0.00 . 1 1209 29 2 ATOM H HB ILE * 29 . 6.775 -2.112 -0.447 1.00 0.00 . 1 1210 29 2 ATOM H 1HG1 ILE * 29 . 5.448 -4.146 -0.085 1.00 0.00 . 1 1211 29 2 ATOM H 2HG1 ILE * 29 . 7.159 -4.473 0.109 1.00 0.00 . 1 1212 29 2 ATOM H 1HG2 ILE * 29 . 7.573 -1.840 2.379 1.00 0.00 . 1 1213 29 2 ATOM H 2HG2 ILE * 29 . 8.448 -3.064 1.464 1.00 0.00 . 1 1214 29 2 ATOM H 3HG2 ILE * 29 . 8.445 -1.392 0.919 1.00 0.00 . 1 1215 29 2 ATOM H 1HD1 ILE * 29 . 6.470 -3.832 2.686 1.00 0.00 . 1 1216 29 2 ATOM H 2HD1 ILE * 29 . 5.002 -4.575 2.115 1.00 0.00 . 1 1217 29 2 ATOM H 3HD1 ILE * 29 . 6.506 -5.462 2.054 1.00 0.00 . 1 1218 30 2 ATOM N N LEU * 30 . 5.314 0.407 2.369 1.00 0.00 . 1 1219 30 2 ATOM C CA LEU * 30 . 5.649 1.833 2.605 1.00 0.00 . 1 1220 30 2 ATOM C C LEU * 30 . 6.804 2.009 3.610 1.00 0.00 . 1 1221 30 2 ATOM O O LEU * 30 . 6.842 1.369 4.641 1.00 0.00 . 1 1222 30 2 ATOM C CB LEU * 30 . 4.405 2.581 3.065 1.00 0.00 . 1 1223 30 2 ATOM C CG LEU * 30 . 4.071 2.218 4.491 1.00 0.00 . 1 1224 30 2 ATOM C CD1 LEU * 30 . 4.543 3.331 5.440 1.00 0.00 . 1 1225 30 2 ATOM C CD2 LEU * 30 . 2.549 2.079 4.620 1.00 0.00 . 1 1226 30 2 ATOM H H LEU * 30 . 4.698 -0.059 2.956 1.00 0.00 . 1 1227 30 2 ATOM H HA LEU * 30 . 5.935 2.238 1.703 1.00 0.00 . 1 1228 30 2 ATOM H 1HB LEU * 30 . 4.578 3.636 2.993 1.00 0.00 . 1 1229 30 2 ATOM H 2HB LEU * 30 . 3.581 2.310 2.426 1.00 0.00 . 1 1230 30 2 ATOM H HG LEU * 30 . 4.552 1.294 4.736 1.00 0.00 . 1 1231 30 2 ATOM H 1HD1 LEU * 30 . 4.060 4.261 5.178 1.00 0.00 . 1 1232 30 2 ATOM H 2HD1 LEU * 30 . 4.285 3.073 6.456 1.00 0.00 . 1 1233 30 2 ATOM H 3HD1 LEU * 30 . 5.610 3.453 5.366 1.00 0.00 . 1 1234 30 2 ATOM H 1HD2 LEU * 30 . 2.062 2.871 4.070 1.00 0.00 . 1 1235 30 2 ATOM H 2HD2 LEU * 30 . 2.234 1.125 4.224 1.00 0.00 . 1 1236 30 2 ATOM H 3HD2 LEU * 30 . 2.264 2.149 5.657 1.00 0.00 . 1 1237 31 2 ATOM N N GLY * 31 . 7.747 2.870 3.271 1.00 0.00 . 1 1238 31 2 ATOM C CA GLY * 31 . 8.861 3.132 4.210 1.00 0.00 . 1 1239 31 2 ATOM C C GLY * 31 . 9.556 1.836 4.575 1.00 0.00 . 1 1240 31 2 ATOM O O GLY * 31 . 9.158 1.158 5.503 1.00 0.00 . 1 1241 31 2 ATOM H H GLY * 31 . 7.733 3.311 2.400 1.00 0.00 . 1 1242 31 2 ATOM H 1HA GLY * 31 . 9.572 3.800 3.747 1.00 0.00 . 1 1243 31 2 ATOM H 2HA GLY * 31 . 8.472 3.591 5.107 1.00 0.00 . 1 1244 32 2 ATOM N N SER * 32 . 10.581 1.505 3.847 1.00 0.00 . 1 1245 32 2 ATOM C CA SER * 32 . 11.297 0.278 4.165 1.00 0.00 . 1 1246 32 2 ATOM C C SER * 32 . 12.132 0.515 5.379 1.00 0.00 . 1 1247 32 2 ATOM O O SER * 32 . 11.693 1.109 6.328 1.00 0.00 . 1 1248 32 2 ATOM C CB SER * 32 . 12.177 -0.129 2.983 1.00 0.00 . 1 1249 32 2 ATOM O OG SER * 32 . 11.294 -0.113 1.871 1.00 0.00 . 1 1250 32 2 ATOM H H SER * 32 . 10.894 2.076 3.123 1.00 0.00 . 1 1251 32 2 ATOM H HA SER * 32 . 10.612 -0.498 4.374 1.00 0.00 . 1 1252 32 2 ATOM H 1HB SER * 32 . 12.975 0.575 2.835 1.00 0.00 . 1 1253 32 2 ATOM H 2HB SER * 32 . 12.575 -1.124 3.127 1.00 0.00 . 1 1254 32 2 ATOM H HG SER * 32 . 11.804 0.115 1.090 1.00 0.00 . 1 1255 33 2 ATOM N N ASP * 33 . 13.334 0.189 5.252 1.00 0.00 . 1 1256 33 2 ATOM C CA ASP * 33 . 14.244 0.232 6.434 1.00 0.00 . 1 1257 33 2 ATOM C C ASP * 33 . 14.583 1.665 6.731 1.00 0.00 . 1 1258 33 2 ATOM O O ASP * 33 . 15.701 2.114 6.572 1.00 0.00 . 1 1259 33 2 ATOM C CB ASP * 33 . 15.523 -0.566 6.141 1.00 0.00 . 1 1260 33 2 ATOM C CG ASP * 33 . 16.258 0.050 4.955 1.00 0.00 . 1 1261 33 2 ATOM O OD1 ASP * 33 . 15.696 -0.023 3.875 1.00 0.00 . 1 1262 33 2 ATOM O OD2 ASP * 33 . 17.339 0.560 5.193 1.00 0.00 . 1 1263 33 2 ATOM H H ASP * 33 . 13.651 -0.017 4.387 1.00 0.00 . 1 1264 33 2 ATOM H HA ASP * 33 . 13.738 -0.195 7.287 1.00 0.00 . 1 1265 33 2 ATOM H 1HB ASP * 33 . 16.169 -0.549 7.007 1.00 0.00 . 1 1266 33 2 ATOM H 2HB ASP * 33 . 15.267 -1.589 5.910 1.00 0.00 . 1 1267 34 2 ATOM N N GLY * 34 . 13.578 2.347 7.163 1.00 0.00 . 1 1269 34 2 ATOM C CA GLY * 34 . 13.721 3.776 7.455 1.00 0.00 . 1 1270 34 2 ATOM C C GLY * 34 . 13.880 4.515 6.149 1.00 0.00 . 1 1271 34 2 ATOM O O GLY * 34 . 14.505 5.558 6.106 1.00 0.00 . 1 1272 34 2 ATOM H H GLY * 34 . 12.724 1.909 7.277 1.00 0.00 . 1 1273 34 2 ATOM H 1HA GLY * 34 . 12.841 4.131 7.968 1.00 0.00 . 1 1274 34 2 ATOM H 2HA GLY * 34 . 14.593 3.935 8.071 1.00 0.00 . 1 1275 35 2 ATOM N N GLU * 35 . 13.303 3.960 5.088 1.00 0.00 . 1 1276 35 2 ATOM C CA GLU * 35 . 13.470 4.590 3.782 1.00 0.00 . 1 1277 35 2 ATOM C C GLU * 35 . 12.152 4.992 3.165 1.00 0.00 . 1 1278 35 2 ATOM O O GLU * 35 . 11.272 5.530 3.806 1.00 0.00 . 1 1279 35 2 ATOM C CB GLU * 35 . 14.185 3.615 2.857 1.00 0.00 . 1 1280 35 2 ATOM C CG GLU * 35 . 15.441 3.101 3.553 1.00 0.00 . 1 1281 35 2 ATOM C CD GLU * 35 . 16.458 2.651 2.500 1.00 0.00 . 1 1282 35 2 ATOM O OE1 GLU * 35 . 17.198 3.515 2.057 1.00 0.00 . 1 1283 35 2 ATOM O OE2 GLU * 35 . 16.438 1.469 2.197 1.00 0.00 . 1 1284 35 2 ATOM H H GLU * 35 . 12.773 3.147 5.162 1.00 0.00 . 1 1285 35 2 ATOM H HA GLU * 35 . 14.059 5.449 3.882 1.00 0.00 . 1 1286 35 2 ATOM H 1HB GLU * 35 . 13.528 2.792 2.625 1.00 0.00 . 1 1287 35 2 ATOM H 2HB GLU * 35 . 14.462 4.118 1.942 1.00 0.00 . 1 1288 35 2 ATOM H 1HG GLU * 35 . 15.875 3.889 4.151 1.00 0.00 . 1 1289 35 2 ATOM H 2HG GLU * 35 . 15.190 2.270 4.187 1.00 0.00 . 1 1290 36 2 ATOM N N LYS * 36 . 12.075 4.709 1.933 1.00 0.00 . 1 1292 36 2 ATOM C CA LYS * 36 . 10.922 5.162 1.115 1.00 0.00 . 1 1293 36 2 ATOM C C LYS * 36 . 9.806 4.123 1.001 1.00 0.00 . 1 1294 36 2 ATOM O O LYS * 36 . 9.879 3.042 1.551 1.00 0.00 . 1 1295 36 2 ATOM C CB LYS * 36 . 11.424 5.520 -0.288 1.00 0.00 . 1 1296 36 2 ATOM C CG LYS * 36 . 12.008 6.936 -0.258 1.00 0.00 . 1 1297 36 2 ATOM C CD LYS * 36 . 10.880 7.953 -0.539 1.00 0.00 . 1 1298 36 2 ATOM C CE LYS * 36 . 11.325 9.376 -0.142 1.00 0.00 . 1 1299 36 2 ATOM N NZ LYS * 36 . 11.873 10.100 -1.323 1.00 0.00 . 1 1300 36 2 ATOM H H LYS * 36 . 12.750 4.158 1.557 1.00 0.00 . 1 1301 36 2 ATOM H HA LYS * 36 . 10.525 6.036 1.574 1.00 0.00 . 1 1302 36 2 ATOM H 1HB LYS * 36 . 12.186 4.818 -0.592 1.00 0.00 . 1 1303 36 2 ATOM H 2HB LYS * 36 . 10.602 5.479 -0.989 1.00 0.00 . 1 1304 36 2 ATOM H 1HG LYS * 36 . 12.441 7.117 0.713 1.00 0.00 . 1 1305 36 2 ATOM H 2HG LYS * 36 . 12.775 7.028 -1.011 1.00 0.00 . 1 1306 36 2 ATOM H 1HD LYS * 36 . 10.637 7.935 -1.591 1.00 0.00 . 1 1307 36 2 ATOM H 2HD LYS * 36 . 10.000 7.683 0.026 1.00 0.00 . 1 1308 36 2 ATOM H 1HE LYS * 36 . 10.475 9.924 0.237 1.00 0.00 . 1 1309 36 2 ATOM H 2HE LYS * 36 . 12.081 9.333 0.625 1.00 0.00 . 1 1310 36 2 ATOM H 1HZ LYS * 36 . 11.466 9.702 -2.193 1.00 0.00 . 1 1311 36 2 ATOM H 2HZ LYS * 36 . 11.630 11.109 -1.255 1.00 0.00 . 1 1312 36 2 ATOM H 3HZ LYS * 36 . 12.908 9.994 -1.345 1.00 0.00 . 1 1313 37 2 ATOM N N ASN * 37 . 8.787 4.500 0.267 1.00 0.00 . 1 1314 37 2 ATOM C CA ASN * 37 . 7.634 3.597 0.047 1.00 0.00 . 1 1315 37 2 ATOM C C ASN * 37 . 7.665 2.995 -1.363 1.00 0.00 . 1 1316 37 2 ATOM O O ASN * 37 . 8.319 3.516 -2.245 1.00 0.00 . 1 1317 37 2 ATOM C CB ASN * 37 . 6.362 4.442 0.198 1.00 0.00 . 1 1318 37 2 ATOM C CG ASN * 37 . 6.409 5.181 1.539 1.00 0.00 . 1 1319 37 2 ATOM O OD1 ASN * 37 . 7.344 5.051 2.302 1.00 0.00 . 1 1320 37 2 ATOM N ND2 ASN * 37 . 5.427 5.973 1.857 1.00 0.00 . 1 1321 37 2 ATOM H H ASN * 37 . 8.773 5.393 -0.113 1.00 0.00 . 1 1322 37 2 ATOM H HA ASN * 37 . 7.662 2.807 0.774 1.00 0.00 . 1 1323 37 2 ATOM H 1HB ASN * 37 . 6.316 5.169 -0.601 1.00 0.00 . 1 1324 37 2 ATOM H 2HB ASN * 37 . 5.485 3.819 0.154 1.00 0.00 . 1 1325 37 2 ATOM H 1HD2 ASN * 37 . 5.617 6.868 2.210 1.00 0.00 . 1 1326 37 2 ATOM H 2HD2 ASN * 37 . 4.503 5.678 1.743 1.00 0.00 . 1 1327 38 2 ATOM N N GLN * 38 . 6.954 1.903 -1.553 1.00 0.00 . 1 1328 38 2 ATOM C CA GLN * 38 . 6.935 1.280 -2.892 1.00 0.00 . 1 1329 38 2 ATOM C C GLN * 38 . 5.744 0.329 -3.041 1.00 0.00 . 1 1330 38 2 ATOM O O GLN * 38 . 5.204 -0.156 -2.067 1.00 0.00 . 1 1331 38 2 ATOM C CB GLN * 38 . 8.230 0.498 -3.099 1.00 0.00 . 1 1332 38 2 ATOM C CG GLN * 38 . 8.174 -0.201 -4.459 1.00 0.00 . 1 1333 38 2 ATOM C CD GLN * 38 . 9.594 -0.366 -5.001 1.00 0.00 . 1 1334 38 2 ATOM O OE1 GLN * 38 . 10.221 -1.392 -4.829 1.00 0.00 . 1 1335 38 2 ATOM N NE2 GLN * 38 . 10.137 0.620 -5.660 1.00 0.00 . 1 1336 38 2 ATOM H H GLN * 38 . 6.431 1.517 -0.831 1.00 0.00 . 1 1337 38 2 ATOM H HA GLN * 38 . 6.859 2.053 -3.626 1.00 0.00 . 1 1338 38 2 ATOM H 1HB GLN * 38 . 9.072 1.174 -3.072 1.00 0.00 . 1 1339 38 2 ATOM H 2HB GLN * 38 . 8.340 -0.237 -2.316 1.00 0.00 . 1 1340 38 2 ATOM H 1HG GLN * 38 . 7.717 -1.174 -4.351 1.00 0.00 . 1 1341 38 2 ATOM H 2HG GLN * 38 . 7.596 0.391 -5.151 1.00 0.00 . 1 1342 38 2 ATOM H 1HE2 GLN * 38 . 10.470 0.476 -6.570 1.00 0.00 . 1 1343 38 2 ATOM H 2HE2 GLN * 38 . 10.210 1.506 -5.246 1.00 0.00 . 1 1344 39 2 ATOM N N CYS * 39 . 5.366 0.089 -4.271 1.00 0.00 . 1 1345 39 2 ATOM C CA CYS * 39 . 4.242 -0.848 -4.543 1.00 0.00 . 1 1346 39 2 ATOM C C CYS * 39 . 4.780 -2.133 -5.175 1.00 0.00 . 1 1347 39 2 ATOM O O CYS * 39 . 4.959 -2.201 -6.376 1.00 0.00 . 1 1348 39 2 ATOM C CB CYS * 39 . 3.277 -0.181 -5.513 1.00 0.00 . 1 1349 39 2 ATOM S SG CYS * 39 . 2.870 1.554 -5.225 1.00 0.00 . 1 1350 39 2 ATOM H H CYS * 39 . 5.817 0.530 -5.013 1.00 0.00 . 1 1351 39 2 ATOM H HA CYS * 39 . 3.739 -1.079 -3.631 1.00 0.00 . 1 1352 39 2 ATOM H 1HB CYS * 39 . 3.695 -0.255 -6.496 1.00 0.00 . 1 1353 39 2 ATOM H 2HB CYS * 39 . 2.354 -0.740 -5.507 1.00 0.00 . 1 1354 40 2 ATOM N N VAL * 40 . 5.026 -3.130 -4.360 1.00 0.00 . 1 1356 40 2 ATOM C CA VAL * 40 . 5.604 -4.405 -4.927 1.00 0.00 . 1 1357 40 2 ATOM C C VAL * 40 . 4.567 -5.504 -5.076 1.00 0.00 . 1 1358 40 2 ATOM O O VAL * 40 . 3.663 -5.630 -4.307 1.00 0.00 . 1 1359 40 2 ATOM C CB VAL * 40 . 6.725 -4.902 -4.020 1.00 0.00 . 1 1360 40 2 ATOM C CG1 VAL * 40 . 6.363 -4.627 -2.562 1.00 0.00 . 1 1361 40 2 ATOM C CG2 VAL * 40 . 6.937 -6.411 -4.198 1.00 0.00 . 1 1362 40 2 ATOM H H VAL * 40 . 4.844 -3.039 -3.386 1.00 0.00 . 1 1363 40 2 ATOM H HA VAL * 40 . 6.018 -4.194 -5.902 1.00 0.00 . 1 1364 40 2 ATOM H HB VAL * 40 . 7.622 -4.395 -4.283 1.00 0.00 . 1 1365 40 2 ATOM H 1HG1 VAL * 40 . 5.293 -4.539 -2.460 1.00 0.00 . 1 1366 40 2 ATOM H 2HG1 VAL * 40 . 6.708 -5.443 -1.947 1.00 0.00 . 1 1367 40 2 ATOM H 3HG1 VAL * 40 . 6.828 -3.711 -2.235 1.00 0.00 . 1 1368 40 2 ATOM H 1HG2 VAL * 40 . 6.916 -6.664 -5.245 1.00 0.00 . 1 1369 40 2 ATOM H 2HG2 VAL * 40 . 7.897 -6.689 -3.790 1.00 0.00 . 1 1370 40 2 ATOM H 3HG2 VAL * 40 . 6.165 -6.957 -3.678 1.00 0.00 . 1 1371 41 2 ATOM N N THR * 41 . 4.752 -6.264 -6.095 1.00 0.00 . 1 1372 41 2 ATOM C CA THR * 41 . 3.867 -7.426 -6.356 1.00 0.00 . 1 1373 41 2 ATOM C C THR * 41 . 4.015 -8.498 -5.275 1.00 0.00 . 1 1374 41 2 ATOM O O THR * 41 . 5.092 -8.735 -4.766 1.00 0.00 . 1 1375 41 2 ATOM C CB THR * 41 . 4.230 -8.014 -7.716 1.00 0.00 . 1 1376 41 2 ATOM O OG1 THR * 41 . 3.059 -8.681 -8.154 1.00 0.00 . 1 1377 41 2 ATOM C CG2 THR * 41 . 5.289 -9.111 -7.594 1.00 0.00 . 1 1378 41 2 ATOM H H THR * 41 . 5.455 -6.052 -6.704 1.00 0.00 . 1 1379 41 2 ATOM H HA THR * 41 . 2.870 -7.098 -6.376 1.00 0.00 . 1 1380 41 2 ATOM H HB THR * 41 . 4.521 -7.246 -8.412 1.00 0.00 . 1 1381 41 2 ATOM H HG1 THR * 41 . 3.213 -8.992 -9.050 1.00 0.00 . 1 1382 41 2 ATOM H 1HG2 THR * 41 . 6.061 -8.801 -6.907 1.00 0.00 . 1 1383 41 2 ATOM H 2HG2 THR * 41 . 4.832 -10.020 -7.230 1.00 0.00 . 1 1384 41 2 ATOM H 3HG2 THR * 41 . 5.731 -9.300 -8.561 1.00 0.00 . 1 1385 42 2 ATOM N N GLY * 42 . 2.916 -9.128 -4.954 1.00 0.00 . 1 1386 42 2 ATOM C CA GLY * 42 . 2.942 -10.186 -3.906 1.00 0.00 . 1 1387 42 2 ATOM C C GLY * 42 . 1.570 -10.277 -3.229 1.00 0.00 . 1 1388 42 2 ATOM O O GLY * 42 . 0.581 -9.846 -3.787 1.00 0.00 . 1 1389 42 2 ATOM H H GLY * 42 . 2.076 -8.904 -5.405 1.00 0.00 . 1 1390 42 2 ATOM H 1HA GLY * 42 . 3.181 -11.137 -4.363 1.00 0.00 . 1 1391 42 2 ATOM H 2HA GLY * 42 . 3.694 -9.944 -3.167 1.00 0.00 . 1 1392 43 2 ATOM N N GLU * 43 . 1.538 -10.835 -2.043 1.00 0.00 . 1 1393 43 2 ATOM C CA GLU * 43 . 0.234 -10.950 -1.316 1.00 0.00 . 1 1394 43 2 ATOM C C GLU * 43 . 0.163 -9.916 -0.185 1.00 0.00 . 1 1395 43 2 ATOM O O GLU * 43 . 0.908 -9.990 0.772 1.00 0.00 . 1 1396 43 2 ATOM C CB GLU * 43 . 0.105 -12.366 -0.737 1.00 0.00 . 1 1397 43 2 ATOM C CG GLU * 43 . 1.231 -12.617 0.269 1.00 0.00 . 1 1398 43 2 ATOM C CD GLU * 43 . 1.537 -14.116 0.319 1.00 0.00 . 1 1399 43 2 ATOM O OE1 GLU * 43 . 2.267 -14.550 -0.557 1.00 0.00 . 1 1400 43 2 ATOM O OE2 GLU * 43 . 1.021 -14.744 1.230 1.00 0.00 . 1 1401 43 2 ATOM H H GLU * 43 . 2.362 -11.175 -1.636 1.00 0.00 . 1 1402 43 2 ATOM H HA GLU * 43 . -0.577 -10.769 -2.005 1.00 0.00 . 1 1403 43 2 ATOM H 1HB GLU * 43 . -0.850 -12.470 -0.245 1.00 0.00 . 1 1404 43 2 ATOM H 2HB GLU * 43 . 0.169 -13.087 -1.537 1.00 0.00 . 1 1405 43 2 ATOM H 1HG GLU * 43 . 2.119 -12.081 -0.031 1.00 0.00 . 1 1406 43 2 ATOM H 2HG GLU * 43 . 0.926 -12.284 1.251 1.00 0.00 . 1 1407 44 2 ATOM N N GLY * 44 . -0.735 -8.969 -0.330 1.00 0.00 . 1 1409 44 2 ATOM C CA GLY * 44 . -0.879 -7.904 0.716 1.00 0.00 . 1 1410 44 2 ATOM C C GLY * 44 . -2.245 -8.008 1.406 1.00 0.00 . 1 1411 44 2 ATOM O O GLY * 44 . -2.951 -8.983 1.242 1.00 0.00 . 1 1412 44 2 ATOM H H GLY * 44 . -1.311 -8.957 -1.123 1.00 0.00 . 1 1413 44 2 ATOM H 1HA GLY * 44 . -0.100 -8.016 1.454 1.00 0.00 . 1 1414 44 2 ATOM H 2HA GLY * 44 . -0.789 -6.936 0.250 1.00 0.00 . 1 1415 45 2 ATOM N N THR * 45 . -2.584 -6.995 2.173 1.00 0.00 . 1 1416 45 2 ATOM C CA THR * 45 . -3.895 -7.018 2.886 1.00 0.00 . 1 1417 45 2 ATOM C C THR * 45 . -4.536 -5.591 2.896 1.00 0.00 . 1 1418 45 2 ATOM O O THR * 45 . -3.829 -4.603 2.920 1.00 0.00 . 1 1419 45 2 ATOM C CB THR * 45 . -3.622 -7.499 4.315 1.00 0.00 . 1 1420 45 2 ATOM O OG1 THR * 45 . -4.663 -8.419 4.605 1.00 0.00 . 1 1421 45 2 ATOM C CG2 THR * 45 . -3.773 -6.382 5.354 1.00 0.00 . 1 1422 45 2 ATOM H H THR * 45 . -1.976 -6.242 2.292 1.00 0.00 . 1 1423 45 2 ATOM H HA THR * 45 . -4.539 -7.714 2.392 1.00 0.00 . 1 1424 45 2 ATOM H HB THR * 45 . -2.659 -7.975 4.381 1.00 0.00 . 1 1425 45 2 ATOM H HG1 THR * 45 . -5.398 -7.928 4.980 1.00 0.00 . 1 1426 45 2 ATOM H 1HG2 THR * 45 . -3.159 -5.537 5.077 1.00 0.00 . 1 1427 45 2 ATOM H 2HG2 THR * 45 . -4.805 -6.073 5.416 1.00 0.00 . 1 1428 45 2 ATOM H 3HG2 THR * 45 . -3.454 -6.745 6.321 1.00 0.00 . 1 1429 46 2 ATOM N N PRO * 46 . -5.872 -5.516 2.881 1.00 0.00 . 1 1430 46 2 ATOM C CA PRO * 46 . -6.578 -4.217 2.898 1.00 0.00 . 1 1431 46 2 ATOM C C PRO * 46 . -6.188 -3.367 4.118 1.00 0.00 . 1 1432 46 2 ATOM O O PRO * 46 . -5.570 -3.852 5.044 1.00 0.00 . 1 1433 46 2 ATOM C CB PRO * 46 . -8.071 -4.580 2.980 1.00 0.00 . 1 1434 46 2 ATOM C CG PRO * 46 . -8.175 -6.134 3.006 1.00 0.00 . 1 1435 46 2 ATOM C CD PRO * 46 . -6.759 -6.693 2.848 1.00 0.00 . 1 1436 46 2 ATOM H HA PRO * 46 . -6.373 -3.674 1.985 1.00 0.00 . 1 1437 46 2 ATOM H 1HB PRO * 46 . -8.501 -4.168 3.880 1.00 0.00 . 1 1438 46 2 ATOM H 2HB PRO * 46 . -8.593 -4.190 2.119 1.00 0.00 . 1 1439 46 2 ATOM H 1HG PRO * 46 . -8.594 -6.462 3.943 1.00 0.00 . 1 1440 46 2 ATOM H 2HG PRO * 46 . -8.795 -6.475 2.191 1.00 0.00 . 1 1441 46 2 ATOM H 1HD PRO * 46 . -6.522 -7.364 3.657 1.00 0.00 . 1 1442 46 2 ATOM H 2HD PRO * 46 . -6.671 -7.201 1.898 1.00 0.00 . 1 1443 47 2 ATOM N N GLU * 47 . -6.567 -2.106 4.090 1.00 0.00 . 1 1444 47 2 ATOM C CA GLU * 47 . -6.236 -1.214 5.236 1.00 0.00 . 1 1445 47 2 ATOM C C GLU * 47 . -7.232 -1.453 6.397 1.00 0.00 . 1 1446 47 2 ATOM O O GLU * 47 . -8.315 -1.961 6.184 1.00 0.00 . 1 1447 47 2 ATOM C CB GLU * 47 . -6.288 0.267 4.793 1.00 0.00 . 1 1448 47 2 ATOM C CG GLU * 47 . -6.479 0.361 3.285 1.00 0.00 . 1 1449 47 2 ATOM C CD GLU * 47 . -7.934 0.022 2.938 1.00 0.00 . 1 1450 47 2 ATOM O OE1 GLU * 47 . -8.529 -0.678 3.739 1.00 0.00 . 1 1451 47 2 ATOM O OE2 GLU * 47 . -8.366 0.483 1.897 1.00 0.00 . 1 1452 47 2 ATOM H H GLU * 47 . -7.044 -1.760 3.327 1.00 0.00 . 1 1453 47 2 ATOM H HA GLU * 47 . -5.260 -1.446 5.545 1.00 0.00 . 1 1454 47 2 ATOM H 1HB GLU * 47 . -7.104 0.767 5.290 1.00 0.00 . 1 1455 47 2 ATOM H 2HB GLU * 47 . -5.363 0.756 5.057 1.00 0.00 . 1 1456 47 2 ATOM H 1HG GLU * 47 . -6.259 1.366 2.963 1.00 0.00 . 1 1457 47 2 ATOM H 2HG GLU * 47 . -5.810 -0.324 2.785 1.00 0.00 . 1 1458 48 2 ATOM N N PRO * 48 . -6.845 -1.077 7.615 1.00 0.00 . 1 1460 48 2 ATOM C CA PRO * 48 . -7.700 -1.293 8.792 1.00 0.00 . 1 1461 48 2 ATOM C C PRO * 48 . -9.018 -0.518 8.690 1.00 0.00 . 1 1462 48 2 ATOM O O PRO * 48 . -9.210 0.270 7.785 1.00 0.00 . 1 1463 48 2 ATOM C CB PRO * 48 . -6.887 -0.756 9.982 1.00 0.00 . 1 1464 48 2 ATOM C CG PRO * 48 . -5.592 -0.113 9.409 1.00 0.00 . 1 1465 48 2 ATOM C CD PRO * 48 . -5.555 -0.414 7.902 1.00 0.00 . 1 1466 48 2 ATOM H HA PRO * 48 . -7.899 -2.348 8.917 1.00 0.00 . 1 1467 48 2 ATOM H 1HB PRO * 48 . -7.462 -0.015 10.517 1.00 0.00 . 1 1468 48 2 ATOM H 2HB PRO * 48 . -6.633 -1.566 10.650 1.00 0.00 . 1 1469 48 2 ATOM H 1HG PRO * 48 . -5.608 0.955 9.570 1.00 0.00 . 1 1470 48 2 ATOM H 2HG PRO * 48 . -4.724 -0.537 9.891 1.00 0.00 . 1 1471 48 2 ATOM H 1HD PRO * 48 . -5.469 0.498 7.339 1.00 0.00 . 1 1472 48 2 ATOM H 2HD PRO * 48 . -4.733 -1.075 7.683 1.00 0.00 . 1 1473 49 2 ATOM N N GLN * 49 . -9.895 -0.765 9.633 1.00 0.00 . 1 1474 49 2 ATOM C CA GLN * 49 . -11.206 -0.046 9.642 1.00 0.00 . 1 1475 49 2 ATOM C C GLN * 49 . -11.226 0.994 10.766 1.00 0.00 . 1 1476 49 2 ATOM O O GLN * 49 . -11.846 2.021 10.543 1.00 0.00 . 1 1477 49 2 ATOM C CB GLN * 49 . -12.331 -1.062 9.882 1.00 0.00 . 1 1478 49 2 ATOM C CG GLN * 49 . -12.421 -2.028 8.696 1.00 0.00 . 1 1479 49 2 ATOM C CD GLN * 49 . -13.853 -2.553 8.583 1.00 0.00 . 1 1480 49 2 ATOM O OE1 GLN * 49 . -14.380 -3.155 9.498 1.00 0.00 . 1 1481 49 2 ATOM N NE2 GLN * 49 . -14.519 -2.345 7.480 1.00 0.00 . 1 1482 49 2 ATOM O OXT GLN * 49 . -10.622 0.701 11.785 1.00 0.00 . 1 1483 49 2 ATOM H H GLN * 49 . -9.692 -1.421 10.332 1.00 0.00 . 1 1484 49 2 ATOM H HA GLN * 49 . -11.353 0.452 8.696 1.00 0.00 . 1 1485 49 2 ATOM H 1HB GLN * 49 . -12.129 -1.618 10.786 1.00 0.00 . 1 1486 49 2 ATOM H 2HB GLN * 49 . -13.270 -0.540 9.995 1.00 0.00 . 1 1487 49 2 ATOM H 1HG GLN * 49 . -12.157 -1.518 7.781 1.00 0.00 . 1 1488 49 2 ATOM H 2HG GLN * 49 . -11.748 -2.859 8.847 1.00 0.00 . 1 1489 49 2 ATOM H 1HE2 GLN * 49 . -14.432 -1.490 7.010 1.00 0.00 . 1 1490 49 2 ATOM H 2HE2 GLN * 49 . -15.104 -3.045 7.121 1.00 0.00 . 1 1491 1 3 ATOM N N VAL * 1 . -13.606 3.156 -6.545 1.00 0.00 . 1 1629 1 3 ATOM C CA VAL * 1 . -13.685 4.270 -5.559 1.00 0.00 . 1 1630 1 3 ATOM C C VAL * 1 . -12.324 4.447 -4.874 1.00 0.00 . 1 1631 1 3 ATOM O O VAL * 1 . -11.476 3.579 -4.944 1.00 0.00 . 1 1632 1 3 ATOM C CB VAL * 1 . -14.760 3.976 -4.504 1.00 0.00 . 1 1633 1 3 ATOM C CG1 VAL * 1 . -16.135 3.983 -5.179 1.00 0.00 . 1 1634 1 3 ATOM C CG2 VAL * 1 . -14.518 2.592 -3.887 1.00 0.00 . 1 1635 1 3 ATOM H 1H VAL * 1 . -12.839 3.345 -7.221 1.00 0.00 . 1 1636 1 3 ATOM H 2H VAL * 1 . -13.413 2.264 -6.044 1.00 0.00 . 1 1637 1 3 ATOM H 3H VAL * 1 . -14.508 3.080 -7.055 1.00 0.00 . 1 1638 1 3 ATOM H HA VAL * 1 . -13.935 5.180 -6.082 1.00 0.00 . 1 1639 1 3 ATOM H HB VAL * 1 . -14.728 4.730 -3.731 1.00 0.00 . 1 1640 1 3 ATOM H 1HG1 VAL * 1 . -16.081 3.450 -6.118 1.00 0.00 . 1 1641 1 3 ATOM H 2HG1 VAL * 1 . -16.858 3.503 -4.536 1.00 0.00 . 1 1642 1 3 ATOM H 3HG1 VAL * 1 . -16.445 4.999 -5.364 1.00 0.00 . 1 1643 1 3 ATOM H 1HG2 VAL * 1 . -13.464 2.453 -3.694 1.00 0.00 . 1 1644 1 3 ATOM H 2HG2 VAL * 1 . -15.064 2.509 -2.959 1.00 0.00 . 1 1645 1 3 ATOM H 3HG2 VAL * 1 . -14.857 1.824 -4.565 1.00 0.00 . 1 1646 2 3 ATOM N N VAL * 2 . -12.143 5.566 -4.227 1.00 0.00 . 1 1647 2 3 ATOM C CA VAL * 2 . -10.848 5.812 -3.542 1.00 0.00 . 1 1648 2 3 ATOM C C VAL * 2 . -10.815 5.073 -2.200 1.00 0.00 . 1 1649 2 3 ATOM O O VAL * 2 . -11.826 4.575 -1.743 1.00 0.00 . 1 1650 2 3 ATOM C CB VAL * 2 . -10.713 7.318 -3.310 1.00 0.00 . 1 1651 2 3 ATOM C CG1 VAL * 2 . -9.229 7.711 -3.281 1.00 0.00 . 1 1652 2 3 ATOM C CG2 VAL * 2 . -11.399 8.060 -4.457 1.00 0.00 . 1 1653 2 3 ATOM H H VAL * 2 . -12.855 6.239 -4.187 1.00 0.00 . 1 1654 2 3 ATOM H HA VAL * 2 . -10.041 5.462 -4.167 1.00 0.00 . 1 1655 2 3 ATOM H HB VAL * 2 . -11.184 7.582 -2.381 1.00 0.00 . 1 1656 2 3 ATOM H 1HG1 VAL * 2 . -8.634 6.879 -2.951 1.00 0.00 . 1 1657 2 3 ATOM H 2HG1 VAL * 2 . -8.911 8.002 -4.272 1.00 0.00 . 1 1658 2 3 ATOM H 3HG1 VAL * 2 . -9.086 8.539 -2.604 1.00 0.00 . 1 1659 2 3 ATOM H 1HG2 VAL * 2 . -11.248 7.523 -5.382 1.00 0.00 . 1 1660 2 3 ATOM H 2HG2 VAL * 2 . -12.45