HEADER COAGULATION INHIBITOR 19-DEC-88 4HIR COMPND Hirudin (Mutant With Lys 47 Replaced By Glu) (K47E) COMPND 1 (NMR,32 Simulated Annealing Structures) SOURCE Leech (Hirudo medicinalis) Recombinant In SOURCE 1 (Escherichia coli) Using Chemically Synthesized Gene EXPDTA nmr AUTHOR G.M.Clore,A.M.Gronenborn JRNL AUTH P.J.M.Folkers,G.M.Clore,P.C.Driscoll,J.Dodt, JRNL AUTH 2 S.Koehler,A.M.Gronenborn JRNL TITL Solution Structure Of Recombinant Hirudin And The JRNL TITL 2 Lys-47 (Right Arrow) Glu Mutant. A Nuclear Magnetic JRNL TITL 3 Resonance And Hybrid Distance Geometry-Dynamical JRNL TITL 4 Simulated Annealing Study JRNL REF BIOCHEMISTRY V. 28 2601 1989 JRNL REFN ASTM BICHAW US ISSN 0006-2960 033 REMARK 3 REMARK 3 REFINEMENT. THE METHOD USED TO DETERMINE AND REFINE THE REMARK 3 STRUCTURE IS THE HYBRID METRIC MATRIX DISTANCE REMARK 3 GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD REMARK 3 (M.NILGES, G.M.CLORE, A.M. GRONENBORN, FEBS LETT. 229, REMARK 3 317-324 (1988)) USING THE PROGRAM XPLOR (A.T. BRUENGER, REMARK 3 YALE UNIVERSITY, CT 06511). REMARK 3 STRUCTURAL STATISTICS - THESE ARE CALCULATED FROM ALL THE REMARK 3 32 MODELS GIVEN IN THIS ENTRY. REMARK 3 NUMBERS ENCLOSED IN PARENTHESIS REMARK 3 ARE THE STANDARD DEVIATIONS. REMARK 3 RMS DEVIATION FROM EXPERIMENTAL RESTRAINTS *(1)* REMARK 3 RESTRAINT TYPE NUMBER OF RESTRAINTS RMS (ANGSTROMS) REMARK 3 ALL 677 0.077 REMARK 3 INTERRESIDUE REMARK 3 SHORT RANGE 234 0.092 REMARK 3 INTERRESIDUE REMARK 3 LONG RANGE 199 0.066 REMARK 3 INTRARESIDUE 228 0.067 REMARK 3 HBOND *(2)* 16 0.083 REMARK 3 POTENTIAL ENERGY TERMS REMARK 3 TYPE ENERGY (KCAL/MOL) REMARK 3 F(NOE) *(3)* 201 REMARK 3 F(TOR) *(4)* 12 REMARK 3 F(REPEL) *(5)* 42 REMARK 3 LENNARD-JONES VAN DER WAALS ENERGY (E(L-J)) CALCULATED REMARK 3 USING THE *CHARMM* EMPIRICAL ENERGY FUNCTION IS REMARK 3 -66 KCAL/MOL. REMARK 3 DEVIATIONS FROM IDEALIZED GEOMETRY *(6)* REMARK 3 TYPE TOTAL NUMBER RMS DEVIATION REMARK 3 BONDS 669 0.011 (ANGSTROMS) REMARK 3 ANGLES 1208 2.754 (DEGREES) REMARK 3 IMPROPERS 132 0.609 (DEGREES) REMARK 3 NOTES. REMARK 3 *(1)* THE RMS DEVIATION FROM THE EXPERIMENTAL RESTRAINTS REMARK 3 ARE CALCULATED WITH RESPECT TO THE UPPER AND REMARK 3 LOWER LIMITS OF THE DISTANCE RESTRAINTS. NONE OF REMARK 3 THE STRUCTURES EXHIBITED VIOLATIONS GREATER THAN REMARK 3 0.5 ANGSTROMS. REMARK 3 *(2)* FOR EACH BACKBONE HYDROGEN BOND THERE ARE TWO REMARK 3 RESTRAINTS - R(NH-O) .LT. 2.3 ANGSTROMS AND REMARK 3 R(N-O) .LT. 3.3 ANGSTROMS. THE LOWER LIMITS REMARK 3 ARE GIVEN BY THE SUM OF THE VAN DER WAALS RADII REMARK 3 OF THE RELEVANT ATOMS. REMARK 3 *(3)* THE VALUES OF THE SQUARE-WELL NOE POTENTIAL REMARK 3 F(NOE) ARE CALCULATED WITH A FORCE CONSTANT OF REMARK 3 50 KCAL/MOL/ANGSTROM**2. REMARK 3 *(4)* THE VALUES OF F(PHI) ARE CALCULATED WITH A FORCE REMARK 3 CONSTANT OF 200 KCAL/MOL/RAD**2. F(PHI) IS A REMARK 3 SQUARE-WELL DIHEDRAL POTENTIAL WHICH IS USED TO REMARK 3 RESTRICT THE RANGES OF 26 PHI AND 25 CHI1 TORSION REMARK 3 ANGLES. REMARK 3 *(5)* THE VALUE OF THE VAN DER WAALS REPULSION TERM REMARK 3 F(REPEL) IS CALCULATED WITH A FORCE CONSTANT OF REMARK 3 4 KCAL/MOL/ANGSTROM**4 WITH THE HARD SPHERE REMARK 3 VAN DER WAALS RADII SET TO 0.8 TIMES THE STANDARD REMARK 3 VALUES USED IN THE *CHARMM* EMPIRICAL ENERGY REMARK 3 FUNCTION. REMARK 3 *(6)* THE IMPROPER TERMS SERVE TO MAINTAIN PLANARITY REMARK 3 AND APPROPRIATE CHIRALITY. THEY ALSO MAINTAIN THE REMARK 3 PEPTIDE BONDS OF ALL RESIDUES (WITH THE EXCEPTION REMARK 3 OF PROLINES) IN THE TRANS CONFORMATION. IN THE REMARK 3 DYNAMICAL SIMULATED ANNEALING CALCULATIONS, THE REMARK 3 RESTRAINTS FOR THE DISULFIDE BRIDGES ARE INCLUDED REMARK 3 IN THE BOND AND ANGLE TERMS. REMARK 4 REMARK 4 THESE COORDINATES WERE GENERATED FROM SOLUTION NMR DATA. REMARK 4 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT *CRYST1* AND REMARK 4 *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON THESE REMARK 4 RECORDS ARE OBVIOUSLY MEANINGLESS. REMARK 5 REMARK 5 ALTOGETHER, 32 STRUCTURES CONSISTENT WITH THE NMR DATA REMARK 5 WERE CALCULATED. THE COORDINATES FOR THESE STRUCTURES ARE REMARK 5 DELINEATED IN THIS ENTRY BY THE PROTEIN DATA BANK KEYWORDS REMARK 5 *MODEL* AND *ENDMDL*. ENTRY *6HIR* CONTAINS THE REMARK 5 COORDINATES FOR THE MINIMIZED-AVERAGE STRUCTURE. REMARK 6 REMARK 6 ALL THE INTERPROTON DISTANCE AND TORSION ANGLE RESTRAINTS REMARK 6 ARE AVAILABLE IN THE PDB STRUCTURE FACTOR FILE *R5HIRNMR*. REMARK 7 REMARK 7 ONLY RESIDUES 1-49 ARE WELL DEFINED. RESIDUES 50-65 FORM REMARK 7 A DISORDERED C-TERMINAL TAIL. REMARK 8 REMARK 8 HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES REMARK 8 CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB REMARK 8 COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL. REMARK 8 BIOL. 52, 1-17 (1970)). WE HAVE FOLLOWED RULE 4.4 OF REMARK 8 THE RECOMMENDATIONS WITH THE FOLLOWING MODIFICATION- REMARK 8 WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED TO A SINGLE REMARK 8 NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER DESIGNATION IS REMARK 8 GIVEN AS THE FIRST CHARACTER OF THE ATOM NAME RATHER THAN REMARK 8 AS THE LAST CHARACTER (E.G. H*BETA*1 IS DENOTED AS 1HB ). REMARK 960 REMARK 960 EMBEDDED CIF REMARK 960 REMARK 960 ################################################### REMARK 960 # # REMARK 960 # Converted from PDB format to CIF format by # REMARK 960 # pdb2cif version 2.3.6 15 Jun 98 # REMARK 960 # by # REMARK 960 # P.E. Bourne, H.J. Bernstein and F.C. Bernstein # REMARK 960 # # REMARK 960 # *** See the remarks at the end of this *** # REMARK 960 # *** file for information on conversion *** # REMARK 960 # *** of this entry and on the program *** # REMARK 960 # *** pdb2cif *** # REMARK 960 ################################################### REMARK 960 REMARK 960 REMARK 960 data_4HIR REMARK 960 REMARK 960 _entry.id 4HIR REMARK 960 REMARK 960 REMARK 960 REMARK 960 ################## REMARK 960 # # REMARK 960 # STRUCT # REMARK 960 # # REMARK 960 ################## REMARK 960 REMARK 960 loop_ REMARK 960 _struct.entry_id REMARK 960 4HIR REMARK 960 _struct.title ' Compound::' REMARK 960 _exptl.method 'nmr ' REMARK 960 REMARK 960 REMARK 960 REMARK 960 #################### REMARK 960 # # REMARK 960 # AUDIT_AUTHOR # REMARK 960 # # REMARK 960 #################### REMARK 960 REMARK 960 REMARK 960 _citation.journal_volume .0 REMARK 960 #< not correct type REMARK 960 _citation.journal_issue ? REMARK 960 _symmetry.entry_id 4HIR REMARK 960 _audit.revision_id 4HIR REMARK 960 _audit.creation_date 1988-12-19 REMARK 960 ; REMARK 960 1998-06-15 Converted to mmCIF format by pdb2cif.pl 2.3.6 REMARK 960 ; REMARK 960 ########################## REMARK 960 # # REMARK 960 # ENTITY_POLY_SEQ # REMARK 960 # # REMARK 960 ########################## REMARK 960 REMARK 960 loop_ REMARK 960 _entity_poly_seq.entity_id REMARK 960 _entity_poly_seq.mon_id REMARK 960 1 REMARK 960 ; REMARK 960 Protein chain: * REMARK 960 ; REMARK 960 REMARK 960 loop_ REMARK 960 _struct_asym.entity_id REMARK 960 _chem_comp.id REMARK 960 _chem_comp.mon_nstd_flag REMARK 960 ASN 'C4 H8 N2 O3' Asparagine REMARK 960 ASP 'C4 H7 N1 O4' 'Aspartic acid' REMARK 960 CYS 'C3 H7 N1 O2 S1' REMARK 960 Cysteine REMARK 960 GLN 'C5 H10 N2 O3' Glutamine REMARK 960 GLU 'C5 H9 N1 O4' 'Glutamic acid' REMARK 960 GLY 'C2 H5 N1 O2' Glycine REMARK 960 HIS 'C6 H9 N3 O2' Histidine REMARK 960 ILE 'C6 H13 N1 O2' Isoleucine REMARK 960 LEU 'C6 H13 N1 O2' Leucine REMARK 960 LYS 'C6 H14 N2 O2' Lysine REMARK 960 PHE 'C9 H11 N1 O2' Phenylalanine REMARK 960 PRO 'C5 H9 N1 O2' Proline REMARK 960 SER 'C3 H7 N1 O3' Serine REMARK 960 THR 'C4 H9 N1 O3' Threonine REMARK 960 TYR 'C9 H11 N1 O3' Tyrosine REMARK 960 VAL 'C5 H11 N1 O2' V aline REMARK 960 REMARK 960 REMARK 960 REMARK 960 ###################### REMARK 960 # # REMARK 960 # ATOM_SITES # REMARK 960 # # REMARK 960 ###################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _database_PDB_matrix.entry_id REMARK 960 4HIR REMARK 960 REMARK 960 loop_ REMARK 960 _database_PDB_matrix.origx[1][1] REMARK 960 _database_PDB_matrix.origx[1][2] REMARK 960 4HIR REMARK 960 'See _atom_sites.fract_transf_matrix[i][j]' REMARK 960 REMARK 960 _atom_sites.fract_transf_matrix[1][1] 1.000000 REMARK 960 #< not correct type REMARK 960 loop_ REMARK 960 _atom_sites.fract_transf_vector[1] REMARK 960 _atom_sites.fract_transf_matrix[2][1] REMARK 960 _atom_sites.fract_transf_matrix[2][2] REMARK 960 _atom_sites.fract_transf_matrix[2][3] REMARK 960 _atom_sites.fract_transf_vector[2] REMARK 960 _atom_sites.fract_transf_matrix[3][1] REMARK 960 1 1990-01-15 REMARK 960 0 . . . REMARK 960 REMARK 960 REMARK 960 REMARK 960 #################### REMARK 960 # # REMARK 960 # STRUCT_BIOL # REMARK 960 # # REMARK 960 #################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_biol.id REMARK 960 4HIR REMARK 960 * REMARK 960 loop_ REMARK 960 _struct_biol.details REMARK 960 _struct_biol_gen.biol_id REMARK 960 _struct_biol_gen.asym_id REMARK 960 _struct_biol_gen.symmetry REMARK 960 4HIR * 1_555 . REMARK 960 * * 1_555 . REMARK 960 REMARK 960 REMARK 960 REMARK 960 ############################## REMARK 960 # # REMARK 960 # STRUCT_CONN_TYPE # REMARK 960 # # REMARK 960 ############################## REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conn_type.id REMARK 960 _struct_conn_type.criteria REMARK 960 _struct_conn_type.reference REMARK 960 . 'unknown bond type from PDB entry' ? REMARK 960 saltbr 'salt bridge from PDB entry' ? REMARK 960 hydrog 'hydrogen bond from PDB entry' ? REMARK 960 disulf 'disulfide bridge from PDB entry' ? REMARK 960 REMARK 960 REMARK 960 REMARK 960 ############################## REMARK 960 # # REMARK 960 # STRUCT_CONN # REMARK 960 # # REMARK 960 ############################## REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conn.id REMARK 960 _struct_conn.conn_type_id REMARK 960 _struct_conn.ptnr1_label_comp_id REMARK 960 _struct_conn.ptnr1_label_asym_id REMARK 960 _struct_conn.ptnr1_auth_seq_id REMARK 960 _struct_conn.ptnr1_label_atom_id REMARK 960 _struct_conn.ptnr1_label_alt_id REMARK 960 _struct_conn.ptnr1_role REMARK 960 _struct_conn.ptnr1_symmetry REMARK 960 _struct_conn.ptnr2_label_comp_id REMARK 960 _struct_conn.ptnr2_label_asym_id REMARK 960 _struct_conn.ptnr2_auth_seq_id REMARK 960 _struct_conn.ptnr2_label_atom_id REMARK 960 _struct_conn.ptnr2_label_alt_id REMARK 960 _struct_conn.ptnr2_role REMARK 960 _struct_conn.ptnr2_symmetry REMARK 960 _struct_conn.ptnr1_atom_site_id REMARK 960 #< not in dictionary REMARK 960 _struct_conn.ptnr1_label_seq_id REMARK 960 _struct_conn.ptnr2_atom_site_id REMARK 960 #< not in dictionary REMARK 960 _struct_conn.ptnr2_label_seq_id REMARK 960 1 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 87 6 88 6 REMARK 960 2 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 901 6 902 6 REMARK 960 3 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 1715 6 1716 6 REMARK 960 4 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 2529 6 2530 6 REMARK 960 5 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 3343 6 3344 6 REMARK 960 6 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 4157 6 4158 6 REMARK 960 7 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 4971 6 4972 6 REMARK 960 8 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 5785 6 5786 6 REMARK 960 9 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 6599 6 6600 6 REMARK 960 10 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 7413 6 7414 6 REMARK 960 11 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 8227 6 8228 6 REMARK 960 12 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 9041 6 9042 6 REMARK 960 13 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 9855 6 9856 6 REMARK 960 14 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 10669 6 10670 6 REMARK 960 15 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 11483 6 11484 6 REMARK 960 16 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 12297 6 12298 6 REMARK 960 17 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 13111 6 13112 6 REMARK 960 18 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 13925 6 13926 6 REMARK 960 19 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 14738 6 14739 6 REMARK 960 20 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 15552 6 15553 6 REMARK 960 21 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 16366 6 16367 6 REMARK 960 22 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 17180 6 17181 6 REMARK 960 23 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 17994 6 17995 6 REMARK 960 24 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 18808 6 18809 6 REMARK 960 25 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 19622 6 19623 6 REMARK 960 26 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 20436 6 20437 6 REMARK 960 27 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 21250 6 21251 6 REMARK 960 28 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 22064 6 22065 6 REMARK 960 29 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 22878 6 22879 6 REMARK 960 30 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 23692 6 23693 6 REMARK 960 31 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 24506 6 24507 6 REMARK 960 32 . CYS * 6 CB . . . CYS * 6 SG REMARK 960 . . . REMARK 960 25320 6 25321 6 REMARK 960 33 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 88 6 197 14 REMARK 960 34 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 902 6 1011 14 REMARK 960 35 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 1716 6 1825 14 REMARK 960 36 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 2530 6 2639 14 REMARK 960 37 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 3344 6 3453 14 REMARK 960 38 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 4158 6 4267 14 REMARK 960 39 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 4972 6 5081 14 REMARK 960 40 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 5786 6 5895 14 REMARK 960 41 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 6600 6 6709 14 REMARK 960 42 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 7414 6 7523 14 REMARK 960 43 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 8228 6 8337 14 REMARK 960 44 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 9042 6 9151 14 REMARK 960 45 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 9856 6 9965 14 REMARK 960 46 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 10670 6 10779 14 REMARK 960 47 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 11484 6 11593 14 REMARK 960 48 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 12298 6 12407 14 REMARK 960 49 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 13112 6 13221 14 REMARK 960 50 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 13926 6 14035 14 REMARK 960 51 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 14739 6 14848 14 REMARK 960 52 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 15553 6 15662 14 REMARK 960 53 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 16367 6 16476 14 REMARK 960 54 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 17181 6 17290 14 REMARK 960 55 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 17995 6 18104 14 REMARK 960 56 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 18809 6 18918 14 REMARK 960 57 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 19623 6 19732 14 REMARK 960 58 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 20437 6 20546 14 REMARK 960 59 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 21251 6 21360 14 REMARK 960 60 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 22065 6 22174 14 REMARK 960 61 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 22879 6 22988 14 REMARK 960 62 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 23693 6 23802 14 REMARK 960 63 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 24507 6 24616 14 REMARK 960 64 disulf CYS * 6 SG . . . CYS * 14 SG REMARK 960 . . . REMARK 960 25321 6 25430 14 REMARK 960 65 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 196 14 197 14 REMARK 960 66 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 1010 14 1011 14 REMARK 960 67 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 1824 14 1825 14 REMARK 960 68 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 2638 14 2639 14 REMARK 960 69 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 3452 14 3453 14 REMARK 960 70 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 4266 14 4267 14 REMARK 960 71 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 5080 14 5081 14 REMARK 960 72 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 5894 14 5895 14 REMARK 960 73 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 6708 14 6709 14 REMARK 960 74 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 7522 14 7523 14 REMARK 960 75 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 8336 14 8337 14 REMARK 960 76 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 9150 14 9151 14 REMARK 960 77 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 9964 14 9965 14 REMARK 960 78 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 10778 14 10779 14 REMARK 960 79 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 11592 14 11593 14 REMARK 960 80 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 12406 14 12407 14 REMARK 960 81 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 13220 14 13221 14 REMARK 960 82 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 14034 14 14035 14 REMARK 960 83 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 14847 14 14848 14 REMARK 960 84 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 15661 14 15662 14 REMARK 960 85 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 16475 14 16476 14 REMARK 960 86 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 17289 14 17290 14 REMARK 960 87 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 18103 14 18104 14 REMARK 960 88 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 18917 14 18918 14 REMARK 960 89 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 19731 14 19732 14 REMARK 960 90 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 20545 14 20546 14 REMARK 960 91 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 21359 14 21360 14 REMARK 960 92 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 22173 14 22174 14 REMARK 960 93 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 22987 14 22988 14 REMARK 960 94 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 23801 14 23802 14 REMARK 960 95 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 24615 14 24616 14 REMARK 960 96 . CYS * 14 CB . . . CYS * 14 SG REMARK 960 . . . REMARK 960 25429 14 25430 14 REMARK 960 97 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 226 16 227 16 REMARK 960 98 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 1040 16 1041 16 REMARK 960 99 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 1854 16 1855 16 REMARK 960 100 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 2668 16 2669 16 REMARK 960 101 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 3482 16 3483 16 REMARK 960 102 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 4296 16 4297 16 REMARK 960 103 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 5110 16 5111 16 REMARK 960 104 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 5924 16 5925 16 REMARK 960 105 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 6738 16 6739 16 REMARK 960 106 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 7552 16 7553 16 REMARK 960 107 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 8366 16 8367 16 REMARK 960 108 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 9180 16 9181 16 REMARK 960 109 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 9994 16 9995 16 REMARK 960 110 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 10808 16 10809 16 REMARK 960 111 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 11622 16 11623 16 REMARK 960 112 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 12436 16 12437 16 REMARK 960 113 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 13250 16 13251 16 REMARK 960 114 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 14064 16 14065 16 REMARK 960 115 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 14877 16 14878 16 REMARK 960 116 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 15691 16 15692 16 REMARK 960 117 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 16505 16 16506 16 REMARK 960 118 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 17319 16 17320 16 REMARK 960 119 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 18133 16 18134 16 REMARK 960 120 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 18947 16 18948 16 REMARK 960 121 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 19761 16 19762 16 REMARK 960 122 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 20575 16 20576 16 REMARK 960 123 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 21389 16 21390 16 REMARK 960 124 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 22203 16 22204 16 REMARK 960 125 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 23017 16 23018 16 REMARK 960 126 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 23831 16 23832 16 REMARK 960 127 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 24645 16 24646 16 REMARK 960 128 . CYS * 16 CB . . . CYS * 16 SG REMARK 960 . . . REMARK 960 25459 16 25460 16 REMARK 960 129 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 227 16 380 28 REMARK 960 130 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 1041 16 1194 28 REMARK 960 131 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 1855 16 2008 28 REMARK 960 132 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 2669 16 2822 28 REMARK 960 133 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 3483 16 3636 28 REMARK 960 134 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 4297 16 4450 28 REMARK 960 135 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 5111 16 5264 28 REMARK 960 136 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 5925 16 6078 28 REMARK 960 137 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 6739 16 6892 28 REMARK 960 138 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 7553 16 7706 28 REMARK 960 139 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 8367 16 8520 28 REMARK 960 140 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 9181 16 9334 28 REMARK 960 141 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 9995 16 10148 28 REMARK 960 142 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 10809 16 10962 28 REMARK 960 143 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 11623 16 11776 28 REMARK 960 144 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 12437 16 12590 28 REMARK 960 145 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 13251 16 13404 28 REMARK 960 146 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 14065 16 14218 28 REMARK 960 147 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 14878 16 15031 28 REMARK 960 148 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 15692 16 15845 28 REMARK 960 149 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 16506 16 16659 28 REMARK 960 150 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 17320 16 17473 28 REMARK 960 151 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 18134 16 18287 28 REMARK 960 152 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 18948 16 19101 28 REMARK 960 153 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 19762 16 19915 28 REMARK 960 154 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 20576 16 20729 28 REMARK 960 155 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 21390 16 21543 28 REMARK 960 156 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 22204 16 22357 28 REMARK 960 157 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 23018 16 23171 28 REMARK 960 158 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 23832 16 23985 28 REMARK 960 159 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 24646 16 24799 28 REMARK 960 160 disulf CYS * 16 SG . . . CYS * 28 SG REMARK 960 . . . REMARK 960 25460 16 25613 28 REMARK 960 161 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 301 22 302 22 REMARK 960 162 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 1115 22 1116 22 REMARK 960 163 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 1929 22 1930 22 REMARK 960 164 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 2743 22 2744 22 REMARK 960 165 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 3557 22 3558 22 REMARK 960 166 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 4371 22 4372 22 REMARK 960 167 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 5185 22 5186 22 REMARK 960 168 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 5999 22 6000 22 REMARK 960 169 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 6813 22 6814 22 REMARK 960 170 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 7627 22 7628 22 REMARK 960 171 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 8441 22 8442 22 REMARK 960 172 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 9255 22 9256 22 REMARK 960 173 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 10069 22 10070 22 REMARK 960 174 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 10883 22 10884 22 REMARK 960 175 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 11697 22 11698 22 REMARK 960 176 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 12511 22 12512 22 REMARK 960 177 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 13325 22 13326 22 REMARK 960 178 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 14139 22 14140 22 REMARK 960 179 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 14952 22 14953 22 REMARK 960 180 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 15766 22 15767 22 REMARK 960 181 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 16580 22 16581 22 REMARK 960 182 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 17394 22 17395 22 REMARK 960 183 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 18208 22 18209 22 REMARK 960 184 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 19022 22 19023 22 REMARK 960 185 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 19836 22 19837 22 REMARK 960 186 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 20650 22 20651 22 REMARK 960 187 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 21464 22 21465 22 REMARK 960 188 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 22278 22 22279 22 REMARK 960 189 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 23092 22 23093 22 REMARK 960 190 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 23906 22 23907 22 REMARK 960 191 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 24720 22 24721 22 REMARK 960 192 . CYS * 22 CB . . . CYS * 22 SG REMARK 960 . . . REMARK 960 25534 22 25535 22 REMARK 960 193 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 302 22 536 39 REMARK 960 194 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 1116 22 1350 39 REMARK 960 195 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 1930 22 2164 39 REMARK 960 196 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 2744 22 2978 39 REMARK 960 197 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 3558 22 3792 39 REMARK 960 198 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 4372 22 4606 39 REMARK 960 199 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 5186 22 5420 39 REMARK 960 200 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 6000 22 6234 39 REMARK 960 201 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 6814 22 7048 39 REMARK 960 202 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 7628 22 7862 39 REMARK 960 203 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 8442 22 8676 39 REMARK 960 204 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 9256 22 9490 39 REMARK 960 205 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 10070 22 10304 39 REMARK 960 206 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 10884 22 11118 39 REMARK 960 207 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 11698 22 11932 39 REMARK 960 208 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 12512 22 12746 39 REMARK 960 209 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 13326 22 13560 39 REMARK 960 210 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 14140 22 14374 39 REMARK 960 211 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 14953 22 15187 39 REMARK 960 212 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 15767 22 16001 39 REMARK 960 213 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 16581 22 16815 39 REMARK 960 214 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 17395 22 17629 39 REMARK 960 215 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 18209 22 18443 39 REMARK 960 216 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 19023 22 19257 39 REMARK 960 217 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 19837 22 20071 39 REMARK 960 218 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 20651 22 20885 39 REMARK 960 219 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 21465 22 21699 39 REMARK 960 220 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 22279 22 22513 39 REMARK 960 221 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 23093 22 23327 39 REMARK 960 222 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 23907 22 24141 39 REMARK 960 223 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 24721 22 24955 39 REMARK 960 224 disulf CYS * 22 SG . . . CYS * 39 SG REMARK 960 . . . REMARK 960 25535 22 25769 39 REMARK 960 225 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 379 28 380 28 REMARK 960 226 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 1193 28 1194 28 REMARK 960 227 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 2007 28 2008 28 REMARK 960 228 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 2821 28 2822 28 REMARK 960 229 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 3635 28 3636 28 REMARK 960 230 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 4449 28 4450 28 REMARK 960 231 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 5263 28 5264 28 REMARK 960 232 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 6077 28 6078 28 REMARK 960 233 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 6891 28 6892 28 REMARK 960 234 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 7705 28 7706 28 REMARK 960 235 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 8519 28 8520 28 REMARK 960 236 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 9333 28 9334 28 REMARK 960 237 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 10147 28 10148 28 REMARK 960 238 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 10961 28 10962 28 REMARK 960 239 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 11775 28 11776 28 REMARK 960 240 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 12589 28 12590 28 REMARK 960 241 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 13403 28 13404 28 REMARK 960 242 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 14217 28 14218 28 REMARK 960 243 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 15030 28 15031 28 REMARK 960 244 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 15844 28 15845 28 REMARK 960 245 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 16658 28 16659 28 REMARK 960 246 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 17472 28 17473 28 REMARK 960 247 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 18286 28 18287 28 REMARK 960 248 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 19100 28 19101 28 REMARK 960 249 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 19914 28 19915 28 REMARK 960 250 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 20728 28 20729 28 REMARK 960 251 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 21542 28 21543 28 REMARK 960 252 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 22356 28 22357 28 REMARK 960 253 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 23170 28 23171 28 REMARK 960 254 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 23984 28 23985 28 REMARK 960 255 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 24798 28 24799 28 REMARK 960 256 . CYS * 28 CB . . . CYS * 28 SG REMARK 960 . . . REMARK 960 25612 28 25613 28 REMARK 960 257 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 535 39 536 39 REMARK 960 258 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 1349 39 1350 39 REMARK 960 259 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 2163 39 2164 39 REMARK 960 260 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 2977 39 2978 39 REMARK 960 261 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 3791 39 3792 39 REMARK 960 262 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 4605 39 4606 39 REMARK 960 263 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 5419 39 5420 39 REMARK 960 264 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 6233 39 6234 39 REMARK 960 265 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 7047 39 7048 39 REMARK 960 266 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 7861 39 7862 39 REMARK 960 267 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 8675 39 8676 39 REMARK 960 268 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 9489 39 9490 39 REMARK 960 269 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 10303 39 10304 39 REMARK 960 270 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 11117 39 11118 39 REMARK 960 271 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 11931 39 11932 39 REMARK 960 272 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 12745 39 12746 39 REMARK 960 273 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 13559 39 13560 39 REMARK 960 274 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 14373 39 14374 39 REMARK 960 275 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 15186 39 15187 39 REMARK 960 276 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 16000 39 16001 39 REMARK 960 277 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 16814 39 16815 39 REMARK 960 278 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 17628 39 17629 39 REMARK 960 279 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 18442 39 18443 39 REMARK 960 280 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 19256 39 19257 39 REMARK 960 281 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 20070 39 20071 39 REMARK 960 282 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 20884 39 20885 39 REMARK 960 283 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 21698 39 21699 39 REMARK 960 284 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 22512 39 22513 39 REMARK 960 285 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 23326 39 23327 39 REMARK 960 286 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 24140 39 24141 39 REMARK 960 287 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 24954 39 24955 39 REMARK 960 288 . CYS * 39 CB . . . CYS * 39 SG REMARK 960 . . . REMARK 960 25768 39 25769 39 REMARK 960 REMARK 960 REMARK 960 REMARK 960 #################### REMARK 960 # # REMARK 960 # STRUCT_CONF # REMARK 960 # # REMARK 960 #################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conf_type.id REMARK 960 _struct_conf_type.criteria REMARK 960 _struct_conf_type.reference REMARK 960 TURN_P 'From PDB' . REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conf.id REMARK 960 _struct_conf.conf_type_id REMARK 960 _struct_conf.beg_label_comp_id REMARK 960 _struct_conf.beg_label_asym_id REMARK 960 _struct_conf.beg_auth_seq_id REMARK 960 _struct_conf.end_label_comp_id REMARK 960 _struct_conf.end_label_asym_id REMARK 960 _struct_conf.end_auth_seq_id REMARK 960 _struct_conf.details REMARK 960 _struct_conf.beg_label_seq_id REMARK 960 _struct_conf.end_label_seq_id REMARK 960 turn_T1 TURN_P GLU * 17 ASN * 20 'TYPE II' REMARK 960 17 20 REMARK 960 turn_T2 TURN_P SER * 32 GLU * 35 'BETA TURN' REMARK 960 32 35 REMARK 960 REMARK 960 REMARK 960 REMARK 960 ################ REMARK 960 # # REMARK 960 # STRUCT_SHEET # REMARK 960 # # REMARK 960 ################ REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet.id REMARK 960 _struct_sheet.number_strands REMARK 960 A 3 REMARK 960 B 2 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet_hbond.sheet_id REMARK 960 _struct_sheet_hbond.range_id_1 REMARK 960 _struct_sheet_hbond.range_id_2 REMARK 960 _struct_sheet_hbond.range_1_beg_auth_seq_id REMARK 960 _struct_sheet_hbond.range_1_beg_label_atom_id REMARK 960 _struct_sheet_hbond.range_2_beg_auth_seq_id REMARK 960 _struct_sheet_hbond.range_2_beg_label_atom_id REMARK 960 _struct_sheet_hbond.range_1_end_auth_seq_id REMARK 960 _struct_sheet_hbond.range_1_end_label_atom_id REMARK 960 _struct_sheet_hbond.range_2_end_auth_seq_id REMARK 960 _struct_sheet_hbond.range_2_end_label_atom_id REMARK 960 _struct_sheet_hbond.range_1_beg_label_seq_id REMARK 960 _struct_sheet_hbond.range_2_beg_label_seq_id REMARK 960 _struct_sheet_hbond.range_1_end_label_seq_id REMARK 960 _struct_sheet_hbond.range_2_end_label_seq_id REMARK 960 A 1_A 2_A . . . . . . . REMARK 960 . REMARK 960 . . . . REMARK 960 A 2_A 3_A . . . . . . . REMARK 960 . REMARK 960 . . . . REMARK 960 B 1_B 2_B . . . . . . . REMARK 960 . REMARK 960 . . . . REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet_order.sheet_id REMARK 960 _struct_sheet_order.range_id_1 REMARK 960 _struct_sheet_order.range_id_2 REMARK 960 _struct_sheet_order.offset REMARK 960 _struct_sheet_order.sense REMARK 960 A 1_A 2_A 1 anti-parallel REMARK 960 A 2_A 3_A 1 anti-parallel REMARK 960 B 1_B 2_B 1 anti-parallel REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet_range.sheet_id REMARK 960 _struct_sheet_range.id REMARK 960 _struct_sheet_range.beg_label_comp_id REMARK 960 _struct_sheet_range.beg_label_asym_id REMARK 960 _struct_sheet_range.beg_auth_seq_id REMARK 960 _struct_sheet_range.end_label_comp_id REMARK 960 _struct_sheet_range.end_label_asym_id REMARK 960 _struct_sheet_range.end_auth_seq_id REMARK 960 _struct_sheet_range.beg_label_seq_id REMARK 960 _struct_sheet_range.end_label_seq_id REMARK 960 A 1_A SER * 9 GLN * 11 REMARK 960 9 11 REMARK 960 A 2_A LYS * 27 GLY * 31 REMARK 960 27 31 REMARK 960 A 3_A LYS * 36 VAL * 40 REMARK 960 36 40 REMARK 960 B 1_B CYS * 14 CYS * 16 REMARK 960 14 16 REMARK 960 B 2_B VAL * 21 CYS * 22 REMARK 960 21 22 REMARK 960 REMARK 960 REMARK 960 REMARK 960 ######################## REMARK 960 # # REMARK 960 # PUBL_MANUSCRIPT_INCL # REMARK 960 # # REMARK 960 ######################## REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _publ_manuscript_incl.entry_id REMARK 960 _publ_manuscript_incl.extra_item REMARK 960 _publ_manuscript_incl.extra_info REMARK 960 _publ_manuscript_incl.extra_defn REMARK 960 4HIR REMARK 960 '_atom_site.label_model_id' REMARK 960 'temporary place holder for NMR model ids' REMARK 960 no REMARK 960 REMARK 960 4HIR REMARK 960 '_struct_conn.ptnr1_atom_site_id' REMARK 960 '_atom_site.id of partner 1 of structure connection' REMARK 960 no REMARK 960 REMARK 960 4HIR REMARK 960 '_struct_conn.ptnr2_atom_site_id' REMARK 960 '_atom_site.id of partner 2 of structure connection' REMARK 960 no REMARK 960 REMARK 960 ############################################### REMARK 960 # This file was converted automatically from # REMARK 960 # PDB format to mmCIF format by the program # REMARK 960 # pdb2cif version 2.3.6 15 Jun 98 # REMARK 960 # by # REMARK 960 # Phil Bourne, Herbert J. Bernstein and # REMARK 960 # Frances C. Bernstein # REMARK 960 # # REMARK 960 # This work was supported in part by IUCr # REMARK 960 # (for HJB), US NSF, PHS, NIH, NCRR, NIGMS, # REMARK 960 # NLM and DOE (for FCB prior to 1998), and # REMARK 960 # and NSFgrant no. BIR 9310154 (for PEB) # REMARK 960 # # REMARK 960 # # REMARK 960 # Conversion from PDB format to mmCIF is a # REMARK 960 # complex process. This file should be # REMARK 960 # reviewed carefully before use. # REMARK 960 # # REMARK 960 # Even though the authors of pdb2cif have # REMARK 960 # made a good faith effort to ensure that # REMARK 960 # pdb2cif performs according to its # REMARK 960 # documentation, and we would greatly # REMARK 960 # appreciate hearing of any problems you # REMARK 960 # may encounter, the program pdb2cif and # REMARK 960 # any files created by pdb2cif are provided # REMARK 960 # **AS IS** without any warrantee as to # REMARK 960 # correctness, merchantability or fitness # REMARK 960 # for any particular or general use. # REMARK 960 # # REMARK 960 # THE RESPONSIBILITY FOR ANY ADVERSE # REMARK 960 # CONSEQUENCES FROM THE USE OF THE PROGRAM # REMARK 960 # PDB2CIF OR ANY FILE OR FILES CREATED BY # REMARK 960 # LIES SOLELY WITH THE USERS OF THE PROGRAM # REMARK 960 # AND FILE OR FILES AND NOT WITH AUTHORS OF # REMARK 960 # PDB2CIF # REMARK 960 # # REMARK 960 # The program pdb2cif is available from # REMARK 960 # the IUCr and its mirrors (see # REMARK 960 # http://www.iucr.org/iucr-top/cif # REMARK 960 # /software/pdb2cif) or # REMARK 960 # SDSC (see # REMARK 960 # http://www.sdsc.edu/pb/pdb2cif/pdb2cif) or # REMARK 960 # NDB and its mirrors (see # REMARK 960 # http://ndbserver.rutgers.edu/NDB/mmcif # REMARK 960 # /software/pdb2cif) # REMARK 960 # and the NDB mirror sites # REMARK 960 # # REMARK 960 # See H. Bernstein, F. Bernstein, # REMARK 960 # P. E. Bourne CIF Applications. VIII. # REMARK 960 # pdb2cif: Translating PDB Entries into # REMARK 960 # mmCIF Format, J. Appl. Cryst., # REMARK 960 # to appear, 1998. # REMARK 960 # Please report problems to: # REMARK 960 # yaya@bernstein-plus-sons.com # REMARK 960 # # REMARK 960 ############################################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 # REMARK records parsed = 107; REMARK 960 ## specified by PDB REMARK 960 # FTNOTE records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # HET records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # HELIX records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # SHEET records parsed = 5; REMARK 960 ## specified by PDB REMARK 960 # TURN records parsed = 2; REMARK 960 ## specified by PDB REMARK 960 # SITE records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # AT+HET records parsed = 21237; REMARK 960 ## specified by PDB REMARK 960 # TER records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # CONECT records parsed = 198; REMARK 960 ## specified by PDB REMARK 960 # SEQRES records parsed = 5; REMARK 960 ## specified by PDB REMARK 960 # Total of 21653 records processed from PDB file REMARK 960 # EXPTL: Non-enumerated method: nmr REMARK 960 # DATABASE_PDB_REMARK: Only text in colum REMARK 960 #ns 12-70 retained REMARK 960 # CELL: The volume is 1, may be model or REMARK 960 # NMR, read REMARKs REMARK 960 # ATOM_SITE: Only 75% homology to chain * REMARK 960 # PUBL_MANUSCRIPT_INCL: Token _atom_site. REMARK 960 #label_model_id used REMARK 960 # PUBL_MANUSCRIPT_INCL: Tokens _struct_co REMARK 960 #nn.ptnrn_atom_site_id used SEQRES 1 * 65 VAL VAL TYR THR ASP CYS THR GLU SER GLY GLN ASN LEU SEQRES 2 * 65 CYS LEU CYS GLU GLY SER ASN VAL CYS GLY GLN GLY ASN SEQRES 3 * 65 LYS CYS ILE LEU GLY SER ASP GLY GLU LYS ASN GLN CYS SEQRES 4 * 65 VAL THR GLY GLU GLY THR PRO GLU PRO GLN SER HIS ASN SEQRES 5 * 65 ASP GLY ASP PHE GLU GLU ILE PRO GLU GLU TYR LEU GLN CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 .000000 .000000 .00000 ORIGX2 .000000 1.000000 .000000 .00000 ORIGX3 .000000 .000000 1.000000 .00000 SCALE1 1.000000 .000000 .000000 .00000 SCALE2 .000000 1.000000 .000000 .00000 SCALE3 .000000 .000000 1.000000 .00000 MODEL 1 ATOM 1 N VAL * 1 -14.321 5.487 -6.348 1.00 .00 N ATOM 2 CA VAL * 1 -13.620 4.226 -5.975 1.00 .00 C ATOM 3 C VAL * 1 -12.238 4.558 -5.405 1.00 .00 C ATOM 4 O VAL * 1 -11.232 4.056 -5.867 1.00 .00 O ATOM 5 CB VAL * 1 -13.463 3.318 -7.198 1.00 .00 C ATOM 6 CG1 VAL * 1 -13.081 1.907 -6.738 1.00 .00 C ATOM 7 CG2 VAL * 1 -14.794 3.256 -7.949 1.00 .00 C ATOM 8 1H VAL * 1 -14.309 6.142 -5.541 1.00 .00 H ATOM 9 2H VAL * 1 -13.836 5.925 -7.159 1.00 .00 H ATOM 10 3H VAL * 1 -15.304 5.273 -6.607 1.00 .00 H ATOM 11 HA VAL * 1 -14.197 3.715 -5.219 1.00 .00 H ATOM 12 HB VAL * 1 -12.695 3.710 -7.849 1.00 .00 H ATOM 13 1HG1 VAL * 1 -12.264 1.961 -6.035 1.00 .00 H ATOM 14 2HG1 VAL * 1 -13.927 1.437 -6.265 1.00 .00 H ATOM 15 3HG1 VAL * 1 -12.779 1.317 -7.591 1.00 .00 H ATOM 16 1HG2 VAL * 1 -15.582 2.973 -7.266 1.00 .00 H ATOM 17 2HG2 VAL * 1 -15.020 4.222 -8.373 1.00 .00 H ATOM 18 3HG2 VAL * 1 -14.731 2.525 -8.742 1.00 .00 H ATOM 19 N VAL * 2 -12.222 5.409 -4.411 1.00 .00 N ATOM 20 CA VAL * 2 -10.933 5.781 -3.768 1.00 .00 C ATOM 21 C VAL * 2 -10.836 5.114 -2.394 1.00 .00 C ATOM 22 O VAL * 2 -11.826 4.640 -1.870 1.00 .00 O ATOM 23 CB VAL * 2 -10.903 7.299 -3.602 1.00 .00 C ATOM 24 CG1 VAL * 2 -9.452 7.781 -3.529 1.00 .00 C ATOM 25 CG2 VAL * 2 -11.586 7.948 -4.807 1.00 .00 C ATOM 26 H VAL * 2 -13.058 5.808 -4.089 1.00 .00 H ATOM 27 HA VAL * 2 -10.109 5.461 -4.386 1.00 .00 H ATOM 28 HB VAL * 2 -11.426 7.571 -2.700 1.00 .00 H ATOM 29 1HG1 VAL * 2 -8.903 7.183 -2.818 1.00 .00 H ATOM 30 2HG1 VAL * 2 -8.989 7.693 -4.500 1.00 .00 H ATOM 31 3HG1 VAL * 2 -9.427 8.815 -3.216 1.00 .00 H ATOM 32 1HG2 VAL * 2 -11.390 7.365 -5.695 1.00 .00 H ATOM 33 2HG2 VAL * 2 -12.652 7.996 -4.639 1.00 .00 H ATOM 34 3HG2 VAL * 2 -11.204 8.948 -4.948 1.00 .00 H ATOM 35 N TYR * 3 -9.648 5.090 -1.839 1.00 .00 N ATOM 36 CA TYR * 3 -9.471 4.449 -.496 1.00 .00 C ATOM 37 C TYR * 3 -8.805 5.414 .489 1.00 .00 C ATOM 38 O TYR * 3 -8.703 6.598 .233 1.00 .00 O ATOM 39 CB TYR * 3 -8.597 3.201 -.658 1.00 .00 C ATOM 40 CG TYR * 3 -9.429 2.094 -1.314 1.00 .00 C ATOM 41 CD1 TYR * 3 -10.253 1.290 -.553 1.00 .00 C ATOM 42 CD2 TYR * 3 -9.370 1.887 -2.676 1.00 .00 C ATOM 43 CE1 TYR * 3 -11.005 .297 -1.147 1.00 .00 C ATOM 44 CE2 TYR * 3 -10.122 .894 -3.268 1.00 .00 C ATOM 45 CZ TYR * 3 -10.945 .092 -2.509 1.00 .00 C ATOM 46 OH TYR * 3 -11.699 -.901 -3.103 1.00 .00 O ATOM 47 H TYR * 3 -8.881 5.484 -2.300 1.00 .00 H ATOM 48 HA TYR * 3 -10.433 4.162 -.103 1.00 .00 H ATOM 49 1HB TYR * 3 -7.740 3.426 -1.277 1.00 .00 H ATOM 50 2HB TYR * 3 -8.259 2.868 .305 1.00 .00 H ATOM 51 HD1 TYR * 3 -10.309 1.441 .514 1.00 .00 H ATOM 52 HD2 TYR * 3 -8.735 2.505 -3.281 1.00 .00 H ATOM 53 HE1 TYR * 3 -11.649 -.323 -.539 1.00 .00 H ATOM 54 HE2 TYR * 3 -10.064 .743 -4.337 1.00 .00 H ATOM 55 HH TYR * 3 -12.291 -1.263 -2.440 1.00 .00 H ATOM 56 N THR * 4 -8.365 4.878 1.597 1.00 .00 N ATOM 57 CA THR * 4 -7.716 5.728 2.633 1.00 .00 C ATOM 58 C THR * 4 -6.216 5.485 2.613 1.00 .00 C ATOM 59 O THR * 4 -5.739 4.706 1.836 1.00 .00 O ATOM 60 CB THR * 4 -8.285 5.339 3.999 1.00 .00 C ATOM 61 OG1 THR * 4 -8.322 3.919 3.990 1.00 .00 O ATOM 62 CG2 THR * 4 -9.739 5.769 4.125 1.00 .00 C ATOM 63 H THR * 4 -8.442 3.910 1.737 1.00 .00 H ATOM 64 HA THR * 4 -7.920 6.768 2.429 1.00 .00 H ATOM 65 HB THR * 4 -7.684 5.705 4.815 1.00 .00 H ATOM 66 HG1 THR * 4 -8.662 3.635 3.138 1.00 .00 H ATOM 67 1HG2 THR * 4 -10.178 5.856 3.143 1.00 .00 H ATOM 68 2HG2 THR * 4 -10.285 5.034 4.698 1.00 .00 H ATOM 69 3HG2 THR * 4 -9.793 6.724 4.623 1.00 .00 H ATOM 70 N ASP * 5 -5.497 6.152 3.458 1.00 .00 N ATOM 71 CA ASP * 5 -4.036 5.933 3.463 1.00 .00 C ATOM 72 C ASP * 5 -3.679 4.706 4.302 1.00 .00 C ATOM 73 O ASP * 5 -4.424 4.298 5.169 1.00 .00 O ATOM 74 CB ASP * 5 -3.360 7.150 4.070 1.00 .00 C ATOM 75 CG ASP * 5 -4.175 8.405 3.748 1.00 .00 C ATOM 76 OD1 ASP * 5 -5.277 8.482 4.266 1.00 .00 O ATOM 77 OD2 ASP * 5 -3.649 9.216 3.005 1.00 .00 O ATOM 78 H ASP * 5 -5.907 6.791 4.076 1.00 .00 H ATOM 79 HA ASP * 5 -3.692 5.788 2.450 1.00 .00 H ATOM 80 1HB ASP * 5 -3.302 7.023 5.131 1.00 .00 H ATOM 81 2HB ASP * 5 -2.364 7.257 3.665 1.00 .00 H ATOM 83 N CYS * 6 -2.541 4.145 4.015 1.00 .00 N ATOM 84 CA CYS * 6 -2.074 2.980 4.786 1.00 .00 C ATOM 85 C CYS * 6 -1.562 3.408 6.141 1.00 .00 C ATOM 86 O CYS * 6 -1.596 4.574 6.486 1.00 .00 O ATOM 87 CB CYS * 6 -.878 2.373 4.055 1.00 .00 C ATOM 88 SG CYS * 6 -.701 2.673 2.289 1.00 .00 S ATOM 89 H CYS * 6 -2.042 4.435 3.242 1.00 .00 H ATOM 90 HA CYS * 6 -2.867 2.255 4.895 1.00 .00 H ATOM 91 1HB CYS * 6 .003 2.762 4.520 1.00 .00 H ATOM 92 2HB CYS * 6 -.890 1.304 4.211 1.00 .00 H ATOM 94 N THR * 7 -1.101 2.443 6.884 1.00 .00 N ATOM 95 CA THR * 7 -.502 2.750 8.205 1.00 .00 C ATOM 96 C THR * 7 .904 2.204 8.268 1.00 .00 C ATOM 97 O THR * 7 1.718 2.646 9.048 1.00 .00 O ATOM 98 CB THR * 7 -1.358 2.120 9.307 1.00 .00 C ATOM 99 OG1 THR * 7 -.842 .806 9.469 1.00 .00 O ATOM 100 CG2 THR * 7 -2.804 1.920 8.844 1.00 .00 C ATOM 101 H THR * 7 -1.170 1.517 6.576 1.00 .00 H ATOM 102 HA THR * 7 -.457 3.778 8.323 1.00 .00 H ATOM 103 HB THR * 7 -1.302 2.676 10.230 1.00 .00 H ATOM 104 HG1 THR * 7 -.669 .669 10.404 1.00 .00 H ATOM 105 1HG2 THR * 7 -3.218 2.863 8.518 1.00 .00 H ATOM 106 2HG2 THR * 7 -2.833 1.217 8.024 1.00 .00 H ATOM 107 3HG2 THR * 7 -3.399 1.537 9.660 1.00 .00 H ATOM 108 N GLU * 8 1.144 1.276 7.425 1.00 .00 N ATOM 109 CA GLU * 8 2.484 .619 7.380 1.00 .00 C ATOM 110 C GLU * 8 2.703 -.133 6.062 1.00 .00 C ATOM 111 O GLU * 8 1.770 -.439 5.345 1.00 .00 O ATOM 112 CB GLU * 8 2.571 -.374 8.537 1.00 .00 C ATOM 113 CG GLU * 8 3.547 .161 9.577 1.00 .00 C ATOM 114 CD GLU * 8 3.490 -.715 10.830 1.00 .00 C ATOM 115 OE1 GLU * 8 2.709 -.364 11.700 1.00 .00 O ATOM 116 OE2 GLU * 8 4.231 -1.684 10.847 1.00 .00 O ATOM 117 H GLU * 8 .458 1.031 6.813 1.00 .00 H ATOM 118 HA GLU * 8 3.257 1.371 7.476 1.00 .00 H ATOM 119 1HB GLU * 8 1.594 -.498 8.984 1.00 .00 H ATOM 120 2HB GLU * 8 2.917 -1.328 8.170 1.00 .00 H ATOM 121 1HG GLU * 8 4.545 .147 9.174 1.00 .00 H ATOM 122 2HG GLU * 8 3.285 1.170 9.839 1.00 .00 H ATOM 124 N SER * 9 3.947 -.423 5.792 1.00 .00 N ATOM 125 CA SER * 9 4.304 -1.149 4.575 1.00 .00 C ATOM 126 C SER * 9 3.669 -2.524 4.624 1.00 .00 C ATOM 127 O SER * 9 3.618 -3.150 5.674 1.00 .00 O ATOM 128 CB SER * 9 5.810 -1.244 4.551 1.00 .00 C ATOM 129 OG SER * 9 6.228 -.370 5.588 1.00 .00 O ATOM 130 H SER * 9 4.638 -.195 6.413 1.00 .00 H ATOM 131 HA SER * 9 3.955 -.629 3.700 1.00 .00 H ATOM 132 1HB SER * 9 6.110 -2.220 4.764 1.00 .00 H ATOM 133 2HB SER * 9 6.208 -.915 3.610 1.00 .00 H ATOM 134 HG SER * 9 7.150 -.152 5.437 1.00 .00 H ATOM 135 N GLY * 10 3.238 -2.974 3.484 1.00 .00 N ATOM 136 CA GLY * 10 2.434 -4.224 3.425 1.00 .00 C ATOM 137 C GLY * 10 .946 -4.338 3.133 1.00 .00 C ATOM 138 O GLY * 10 .467 -5.345 2.649 1.00 .00 O ATOM 139 H GLY * 10 3.477 -2.507 2.659 1.00 .00 H ATOM 140 1HA GLY * 10 2.414 -3.947 2.381 1.00 .00 H ATOM 141 2HA GLY * 10 1.993 -3.751 4.283 1.00 .00 H ATOM 142 N GLN * 11 .241 -3.274 3.453 1.00 .00 N ATOM 143 CA GLN * 11 -1.232 -3.251 3.187 1.00 .00 C ATOM 144 C GLN * 11 -1.489 -3.144 1.674 1.00 .00 C ATOM 145 O GLN * 11 -.564 -3.252 .894 1.00 .00 O ATOM 146 CB GLN * 11 -1.850 -2.064 3.923 1.00 .00 C ATOM 147 CG GLN * 11 -2.217 -2.516 5.342 1.00 .00 C ATOM 148 CD GLN * 11 -2.664 -1.311 6.172 1.00 .00 C ATOM 149 OE1 GLN * 11 -3.415 -1.445 7.118 1.00 .00 O ATOM 150 NE2 GLN * 11 -2.229 -.127 5.859 1.00 .00 N ATOM 151 H GLN * 11 .690 -2.494 3.879 1.00 .00 H ATOM 152 HA GLN * 11 -1.673 -4.169 3.551 1.00 .00 H ATOM 153 1HB GLN * 11 -1.140 -1.253 3.968 1.00 .00 H ATOM 154 2HB GLN * 11 -2.733 -1.736 3.402 1.00 .00 H ATOM 155 1HG GLN * 11 -3.021 -3.235 5.299 1.00 .00 H ATOM 156 2HG GLN * 11 -1.357 -2.971 5.813 1.00 .00 H ATOM 157 1HE2 GLN * 11 -1.429 -.029 5.303 1.00 .00 H ATOM 158 2HE2 GLN * 11 -2.702 .668 6.179 1.00 .00 H ATOM 159 N ASN * 12 -2.737 -2.936 1.283 1.00 .00 N ATOM 160 CA ASN * 12 -3.039 -2.934 -.195 1.00 .00 C ATOM 161 C ASN * 12 -3.942 -1.811 -.650 1.00 .00 C ATOM 162 O ASN * 12 -3.512 -.925 -1.357 1.00 .00 O ATOM 163 CB ASN * 12 -3.717 -4.265 -.552 1.00 .00 C ATOM 164 CG ASN * 12 -2.723 -5.420 -.408 1.00 .00 C ATOM 165 OD1 ASN * 12 -1.799 -5.369 .375 1.00 .00 O ATOM 166 ND2 ASN * 12 -2.880 -6.485 -1.146 1.00 .00 N ATOM 167 H ASN * 12 -3.450 -2.800 1.941 1.00 .00 H ATOM 168 HA ASN * 12 -2.140 -2.835 -.730 1.00 .00 H ATOM 169 1HB ASN * 12 -4.554 -4.433 .110 1.00 .00 H ATOM 170 2HB ASN * 12 -4.076 -4.228 -1.569 1.00 .00 H ATOM 171 1HD2 ASN * 12 -3.703 -7.013 -1.072 1.00 .00 H ATOM 172 2HD2 ASN * 12 -2.178 -6.754 -1.773 1.00 .00 H ATOM 173 N LEU * 13 -5.163 -1.872 -.281 1.00 .00 N ATOM 174 CA LEU * 13 -6.097 -.850 -.780 1.00 .00 C ATOM 175 C LEU * 13 -5.925 .445 -.038 1.00 .00 C ATOM 176 O LEU * 13 -6.876 1.010 .457 1.00 .00 O ATOM 177 CB LEU * 13 -7.539 -1.345 -.615 1.00 .00 C ATOM 178 CG LEU * 13 -7.849 -2.396 -1.697 1.00 .00 C ATOM 179 CD1 LEU * 13 -9.249 -2.980 -1.453 1.00 .00 C ATOM 180 CD2 LEU * 13 -7.827 -1.744 -3.090 1.00 .00 C ATOM 181 H LEU * 13 -5.463 -2.576 .298 1.00 .00 H ATOM 182 HA LEU * 13 -5.881 -.680 -1.816 1.00 .00 H ATOM 183 1HB LEU * 13 -7.653 -1.787 .364 1.00 .00 H ATOM 184 2HB LEU * 13 -8.222 -.514 -.708 1.00 .00 H ATOM 185 HG LEU * 13 -7.109 -3.184 -1.652 1.00 .00 H ATOM 186 1HD1 LEU * 13 -9.445 -3.041 -.397 1.00 .00 H ATOM 187 2HD1 LEU * 13 -9.993 -2.347 -1.913 1.00 .00 H ATOM 188 3HD1 LEU * 13 -9.312 -3.970 -1.882 1.00 .00 H ATOM 189 1HD2 LEU * 13 -8.078 -.699 -3.011 1.00 .00 H ATOM 190 2HD2 LEU * 13 -6.844 -1.837 -3.520 1.00 .00 H ATOM 191 3HD2 LEU * 13 -8.541 -2.235 -3.736 1.00 .00 H ATOM 192 N CYS * 14 -4.705 .881 .045 1.00 .00 N ATOM 193 CA CYS * 14 -4.441 2.185 .673 1.00 .00 C ATOM 194 C CYS * 14 -3.696 3.075 -.284 1.00 .00 C ATOM 195 O CYS * 14 -3.683 2.832 -1.465 1.00 .00 O ATOM 196 CB CYS * 14 -3.541 1.969 1.842 1.00 .00 C ATOM 197 SG CYS * 14 -1.913 1.305 1.480 1.00 .00 S ATOM 198 H CYS * 14 -3.948 .322 -.274 1.00 .00 H ATOM 199 HA CYS * 14 -5.367 2.653 .978 1.00 .00 H ATOM 200 1HB CYS * 14 -3.411 2.902 2.327 1.00 .00 H ATOM 201 2HB CYS * 14 -4.010 1.324 2.520 1.00 .00 H ATOM 203 N LEU * 15 -3.071 4.089 .261 1.00 .00 N ATOM 204 CA LEU * 15 -2.244 4.986 -.583 1.00 .00 C ATOM 205 C LEU * 15 -.791 4.839 -.201 1.00 .00 C ATOM 206 O LEU * 15 -.425 5.056 .938 1.00 .00 O ATOM 207 CB LEU * 15 -2.665 6.427 -.386 1.00 .00 C ATOM 208 CG LEU * 15 -4.159 6.501 -.535 1.00 .00 C ATOM 209 CD1 LEU * 15 -4.611 7.936 -.338 1.00 .00 C ATOM 210 CD2 LEU * 15 -4.571 6.004 -1.916 1.00 .00 C ATOM 211 H LEU * 15 -3.155 4.258 1.222 1.00 .00 H ATOM 212 HA LEU * 15 -2.374 4.720 -1.597 1.00 .00 H ATOM 213 1HB LEU * 15 -2.378 6.761 .599 1.00 .00 H ATOM 214 2HB LEU * 15 -2.191 7.051 -1.130 1.00 .00 H ATOM 215 HG LEU * 15 -4.596 5.882 .191 1.00 .00 H ATOM 216 1HD1 LEU * 15 -4.123 8.568 -1.062 1.00 .00 H ATOM 217 2HD1 LEU * 15 -5.679 8.001 -.462 1.00 .00 H ATOM 218 3HD1 LEU * 15 -4.349 8.263 .657 1.00 .00 H ATOM 219 1HD2 LEU * 15 -3.791 6.219 -2.633 1.00 .00 H ATOM 220 2HD2 LEU * 15 -4.731 4.937 -1.870 1.00 .00 H ATOM 221 3HD2 LEU * 15 -5.480 6.485 -2.226 1.00 .00 H ATOM 222 N CYS * 16 .007 4.472 -1.155 1.00 .00 N ATOM 223 CA CYS * 16 1.476 4.297 -.851 1.00 .00 C ATOM 224 C CYS * 16 2.325 5.076 -1.852 1.00 .00 C ATOM 225 O CYS * 16 3.396 5.549 -1.526 1.00 .00 O ATOM 226 CB CYS * 16 1.840 2.808 -.892 1.00 .00 C ATOM 227 SG CYS * 16 3.427 2.354 -1.636 1.00 .00 S ATOM 228 H CYS * 16 -.356 4.325 -2.077 1.00 .00 H ATOM 229 HA CYS * 16 1.681 4.680 .136 1.00 .00 H ATOM 230 1HB CYS * 16 1.844 2.440 .124 1.00 .00 H ATOM 231 2HB CYS * 16 1.067 2.285 -1.420 1.00 .00 H ATOM 233 N GLU * 17 1.834 5.194 -3.048 1.00 .00 N ATOM 234 CA GLU * 17 2.582 5.984 -4.062 1.00 .00 C ATOM 235 C GLU * 17 2.172 7.459 -3.941 1.00 .00 C ATOM 236 O GLU * 17 1.325 7.942 -4.664 1.00 .00 O ATOM 237 CB GLU * 17 2.248 5.436 -5.463 1.00 .00 C ATOM 238 CG GLU * 17 3.528 4.911 -6.126 1.00 .00 C ATOM 239 CD GLU * 17 4.428 6.092 -6.501 1.00 .00 C ATOM 240 OE1 GLU * 17 3.958 7.205 -6.334 1.00 .00 O ATOM 241 OE2 GLU * 17 5.534 5.813 -6.937 1.00 .00 O ATOM 242 H GLU * 17 .984 4.768 -3.277 1.00 .00 H ATOM 243 HA GLU * 17 3.639 5.895 -3.873 1.00 .00 H ATOM 244 1HB GLU * 17 1.533 4.629 -5.374 1.00 .00 H ATOM 245 2HB GLU * 17 1.826 6.215 -6.075 1.00 .00 H ATOM 246 1HG GLU * 17 4.056 4.260 -5.444 1.00 .00 H ATOM 247 2HG GLU * 17 3.277 4.359 -7.019 1.00 .00 H ATOM 249 N GLY * 18 2.778 8.143 -3.006 1.00 .00 N ATOM 250 CA GLY * 18 2.407 9.568 -2.792 1.00 .00 C ATOM 251 C GLY * 18 .957 9.654 -2.310 1.00 .00 C ATOM 252 O GLY * 18 .698 9.785 -1.130 1.00 .00 O ATOM 253 H GLY * 18 3.467 7.720 -2.451 1.00 .00 H ATOM 254 1HA GLY * 18 3.061 10.003 -2.048 1.00 .00 H ATOM 255 2HA GLY * 18 2.510 10.109 -3.721 1.00 .00 H ATOM 256 N SER * 19 .045 9.582 -3.240 1.00 .00 N ATOM 257 CA SER * 19 -1.391 9.626 -2.868 1.00 .00 C ATOM 258 C SER * 19 -2.188 8.678 -3.719 1.00 .00 C ATOM 259 O SER * 19 -3.389 8.549 -3.588 1.00 .00 O ATOM 260 CB SER * 19 -1.888 11.021 -3.099 1.00 .00 C ATOM 261 OG SER * 19 -2.951 10.864 -4.027 1.00 .00 O ATOM 262 H SER * 19 .303 9.531 -4.165 1.00 .00 H ATOM 263 HA SER * 19 -1.488 9.352 -1.872 1.00 .00 H ATOM 264 1HB SER * 19 -2.239 11.469 -2.183 1.00 .00 H ATOM 265 2HB SER * 19 -1.106 11.599 -3.534 1.00 .00 H ATOM 266 HG SER * 19 -3.319 11.731 -4.205 1.00 .00 H ATOM 267 N ASN * 20 -1.496 8.043 -4.559 1.00 .00 N ATOM 268 CA ASN * 20 -2.143 7.071 -5.480 1.00 .00 C ATOM 269 C ASN * 20 -2.313 5.720 -4.791 1.00 .00 C ATOM 270 O ASN * 20 -1.523 5.342 -3.935 1.00 .00 O ATOM 271 CB ASN * 20 -1.272 6.903 -6.724 1.00 .00 C ATOM 272 CG ASN * 20 -1.820 7.795 -7.840 1.00 .00 C ATOM 273 OD1 ASN * 20 -2.335 7.320 -8.830 1.00 .00 O ATOM 274 ND2 ASN * 20 -1.727 9.091 -7.716 1.00 .00 N ATOM 275 H ASN * 20 -.546 8.201 -4.586 1.00 .00 H ATOM 276 HA ASN * 20 -3.113 7.447 -5.766 1.00 .00 H ATOM 277 1HB ASN * 20 -.257 7.190 -6.503 1.00 .00 H ATOM 278 2HB ASN * 20 -1.293 5.875 -7.047 1.00 .00 H ATOM 279 1HD2 ASN * 20 -1.204 9.609 -8.363 1.00 .00 H ATOM 280 2HD2 ASN * 20 -2.185 9.547 -6.978 1.00 .00 H ATOM 281 N VAL * 21 -3.343 5.018 -5.168 1.00 .00 N ATOM 282 CA VAL * 21 -3.591 3.715 -4.534 1.00 .00 C ATOM 283 C VAL * 21 -2.534 2.718 -4.921 1.00 .00 C ATOM 284 O VAL * 21 -1.993 2.755 -6.010 1.00 .00 O ATOM 285 CB VAL * 21 -4.970 3.202 -4.947 1.00 .00 C ATOM 286 CG1 VAL * 21 -5.012 1.667 -4.901 1.00 .00 C ATOM 287 CG2 VAL * 21 -6.021 3.738 -3.984 1.00 .00 C ATOM 288 H VAL * 21 -3.947 5.354 -5.851 1.00 .00 H ATOM 289 HA VAL * 21 -3.558 3.849 -3.496 1.00 .00 H ATOM 290 HB VAL * 21 -5.184 3.539 -5.932 1.00 .00 H ATOM 291 1HG1 VAL * 21 -4.564 1.313 -3.984 1.00 .00 H ATOM 292 2HG1 VAL * 21 -6.040 1.335 -4.938 1.00 .00 H ATOM 293 3HG1 VAL * 21 -4.479 1.253 -5.743 1.00 .00 H ATOM 294 1HG2 VAL * 21 -5.894 4.799 -3.859 1.00 .00 H ATOM 295 2HG2 VAL * 21 -7.003 3.543 -4.382 1.00 .00 H ATOM 296 3HG2 VAL * 21 -5.921 3.249 -3.023 1.00 .00 H ATOM 297 N CYS * 22 -2.262 1.841 -4.019 1.00 .00 N ATOM 298 CA CYS * 22 -1.236 .820 -4.296 1.00 .00 C ATOM 299 C CYS * 22 -1.568 -.470 -3.539 1.00 .00 C ATOM 300 O CYS * 22 -1.419 -.535 -2.337 1.00 .00 O ATOM 301 CB CYS * 22 .088 1.373 -3.822 1.00 .00 C ATOM 302 SG CYS * 22 1.414 1.585 -5.042 1.00 .00 S ATOM 303 H CYS * 22 -2.734 1.863 -3.138 1.00 .00 H ATOM 304 HA CYS * 22 -1.194 .620 -5.348 1.00 .00 H ATOM 305 1HB CYS * 22 -.099 2.338 -3.380 1.00 .00 H ATOM 306 2HB CYS * 22 .446 .725 -3.053 1.00 .00 H ATOM 308 N GLY * 23 -1.995 -1.481 -4.260 1.00 .00 N ATOM 309 CA GLY * 23 -2.393 -2.742 -3.576 1.00 .00 C ATOM 310 C GLY * 23 -3.282 -3.908 -4.026 1.00 .00 C ATOM 311 O GLY * 23 -2.934 -5.052 -3.842 1.00 .00 O ATOM 312 H GLY * 23 -2.015 -1.425 -5.243 1.00 .00 H ATOM 313 1HA GLY * 23 -1.820 -3.129 -4.397 1.00 .00 H ATOM 314 2HA GLY * 23 -3.353 -2.237 -3.602 1.00 .00 H ATOM 315 N GLN * 24 -4.414 -3.605 -4.603 1.00 .00 N ATOM 316 CA GLN * 24 -5.304 -4.705 -5.043 1.00 .00 C ATOM 317 C GLN * 24 -4.551 -5.674 -5.941 1.00 .00 C ATOM 318 O GLN * 24 -4.071 -5.309 -6.995 1.00 .00 O ATOM 319 CB GLN * 24 -6.500 -4.125 -5.802 1.00 .00 C ATOM 320 CG GLN * 24 -7.528 -5.231 -6.046 1.00 .00 C ATOM 321 CD GLN * 24 -7.932 -5.233 -7.522 1.00 .00 C ATOM 322 OE1 GLN * 24 -7.108 -5.386 -8.401 1.00 .00 O ATOM 323 NE2 GLN * 24 -9.189 -5.070 -7.835 1.00 .00 N ATOM 324 H GLN * 24 -4.675 -2.679 -4.736 1.00 .00 H ATOM 325 HA GLN * 24 -5.642 -5.233 -4.180 1.00 .00 H ATOM 326 1HB GLN * 24 -6.951 -3.342 -5.222 1.00 .00 H ATOM 327 2HB GLN * 24 -6.170 -3.720 -6.744 1.00 .00 H ATOM 328 1HG GLN * 24 -7.102 -6.190 -5.789 1.00 .00 H ATOM 329 2HG GLN * 24 -8.402 -5.056 -5.437 1.00 .00 H ATOM 330 1HE2 GLN * 24 -9.430 -4.627 -8.674 1.00 .00 H ATOM 331 2HE2 GLN * 24 -9.891 -5.391 -7.231 1.00 .00 H ATOM 332 N GLY * 25 -4.468 -6.896 -5.501 1.00 .00 N ATOM 333 CA GLY * 25 -3.742 -7.908 -6.300 1.00 .00 C ATOM 334 C GLY * 25 -2.238 -7.765 -6.085 1.00 .00 C ATOM 335 O GLY * 25 -1.485 -8.682 -6.348 1.00 .00 O ATOM 336 H GLY * 25 -4.881 -7.142 -4.647 1.00 .00 H ATOM 337 1HA GLY * 25 -4.055 -8.896 -5.995 1.00 .00 H ATOM 338 2HA GLY * 25 -3.970 -7.768 -7.347 1.00 .00 H ATOM 339 N ASN * 26 -1.832 -6.606 -5.610 1.00 .00 N ATOM 340 CA ASN * 26 -.400 -6.370 -5.375 1.00 .00 C ATOM 341 C ASN * 26 -.158 -6.027 -3.899 1.00 .00 C ATOM 342 O ASN * 26 -1.037 -6.176 -3.077 1.00 .00 O ATOM 343 CB ASN * 26 -.007 -5.188 -6.226 1.00 .00 C ATOM 344 CG ASN * 26 -1.216 -4.732 -7.045 1.00 .00 C ATOM 345 OD1 ASN * 26 -2.082 -4.033 -6.559 1.00 .00 O ATOM 346 ND2 ASN * 26 -1.315 -5.109 -8.292 1.00 .00 N ATOM 347 H ASN * 26 -2.471 -5.883 -5.425 1.00 .00 H ATOM 348 HA ASN * 26 .166 -7.230 -5.649 1.00 .00 H ATOM 349 1HB ASN * 26 .301 -4.411 -5.596 1.00 .00 H ATOM 350 2HB ASN * 26 .790 -5.447 -6.887 1.00 .00 H ATOM 351 1HD2 ASN * 26 -1.649 -4.482 -8.968 1.00 .00 H ATOM 352 2HD2 ASN * 26 -1.054 -6.016 -8.554 1.00 .00 H ATOM 353 N LYS * 27 1.035 -5.590 -3.585 1.00 .00 N ATOM 354 CA LYS * 27 1.298 -5.183 -2.171 1.00 .00 C ATOM 355 C LYS * 27 2.397 -4.126 -2.102 1.00 .00 C ATOM 356 O LYS * 27 3.518 -4.357 -2.514 1.00 .00 O ATOM 357 CB LYS * 27 1.734 -6.401 -1.361 1.00 .00 C ATOM 358 CG LYS * 27 1.555 -6.078 .126 1.00 .00 C ATOM 359 CD LYS * 27 2.406 -7.041 .973 1.00 .00 C ATOM 360 CE LYS * 27 3.854 -6.529 1.068 1.00 .00 C ATOM 361 NZ LYS * 27 4.580 -7.231 2.164 1.00 .00 N ATOM 362 H LYS * 27 1.752 -5.553 -4.261 1.00 .00 H ATOM 363 HA LYS * 27 .392 -4.778 -1.748 1.00 .00 H ATOM 364 1HB LYS * 27 1.126 -7.253 -1.626 1.00 .00 H ATOM 365 2HB LYS * 27 2.769 -6.624 -1.567 1.00 .00 H ATOM 366 1HG LYS * 27 1.854 -5.059 .312 1.00 .00 H ATOM 367 2HG LYS * 27 .519 -6.187 .392 1.00 .00 H ATOM 368 1HD LYS * 27 1.983 -7.116 1.964 1.00 .00 H ATOM 369 2HD LYS * 27 2.401 -8.019 .515 1.00 .00 H ATOM 370 1HE LYS * 27 4.364 -6.712 .135 1.00 .00 H ATOM 371 2HE LYS * 27 3.864 -5.466 1.276 1.00 .00 H ATOM 372 1HZ LYS * 27 3.897 -7.745 2.757 1.00 .00 H ATOM 373 2HZ LYS * 27 5.258 -7.903 1.754 1.00 .00 H ATOM 374 3HZ LYS * 27 5.089 -6.534 2.744 1.00 .00 H ATOM 375 N CYS * 28 2.071 -2.979 -1.576 1.00 .00 N ATOM 376 CA CYS * 28 3.124 -1.944 -1.482 1.00 .00 C ATOM 377 C CYS * 28 3.960 -2.120 -.278 1.00 .00 C ATOM 378 O CYS * 28 3.643 -2.845 .644 1.00 .00 O ATOM 379 CB CYS * 28 2.546 -.543 -1.399 1.00 .00 C ATOM 380 SG CYS * 28 3.043 .656 -2.663 1.00 .00 S ATOM 381 H CYS * 28 1.162 -2.808 -1.256 1.00 .00 H ATOM 382 HA CYS * 28 3.745 -2.018 -2.340 1.00 .00 H ATOM 383 1HB CYS * 28 1.513 -.624 -1.426 1.00 .00 H ATOM 384 2HB CYS * 28 2.815 -.130 -.437 1.00 .00 H ATOM 386 N ILE * 29 5.020 -1.439 -.335 1.00 .00 N ATOM 387 CA ILE * 29 5.947 -1.393 .815 1.00 .00 C ATOM 388 C ILE * 29 6.305 .060 1.101 1.00 .00 C ATOM 389 O ILE * 29 7.262 .579 .561 1.00 .00 O ATOM 390 CB ILE * 29 7.219 -2.151 .490 1.00 .00 C ATOM 391 CG1 ILE * 29 6.909 -3.574 -.029 1.00 .00 C ATOM 392 CG2 ILE * 29 8.082 -2.236 1.750 1.00 .00 C ATOM 393 CD1 ILE * 29 6.563 -4.513 1.140 1.00 .00 C ATOM 394 H ILE * 29 5.216 -.948 -1.168 1.00 .00 H ATOM 395 HA ILE * 29 5.478 -1.813 1.664 1.00 .00 H ATOM 396 HB ILE * 29 7.742 -1.612 -.257 1.00 .00 H ATOM 397 1HG1 ILE * 29 6.083 -3.539 -.720 1.00 .00 H ATOM 398 2HG1 ILE * 29 7.775 -3.959 -.548 1.00 .00 H ATOM 399 1HG2 ILE * 29 7.483 -2.578 2.584 1.00 .00 H ATOM 400 2HG2 ILE * 29 8.895 -2.926 1.588 1.00 .00 H ATOM 401 3HG2 ILE * 29 8.480 -1.264 1.979 1.00 .00 H ATOM 402 1HD1 ILE * 29 5.827 -4.055 1.780 1.00 .00 H ATOM 403 2HD1 ILE * 29 6.169 -5.428 .753 1.00 .00 H ATOM 404 3HD1 ILE * 29 7.447 -4.733 1.714 1.00 .00 H ATOM 405 N LEU * 30 5.537 .694 1.944 1.00 .00 N ATOM 406 CA LEU * 30 5.810 2.127 2.218 1.00 .00 C ATOM 407 C LEU * 30 6.965 2.300 3.219 1.00 .00 C ATOM 408 O LEU * 30 6.942 1.773 4.313 1.00 .00 O ATOM 409 CB LEU * 30 4.535 2.807 2.703 1.00 .00 C ATOM 410 CG LEU * 30 4.228 2.391 4.117 1.00 .00 C ATOM 411 CD1 LEU * 30 4.712 3.466 5.097 1.00 .00 C ATOM 412 CD2 LEU * 30 2.709 2.232 4.264 1.00 .00 C ATOM 413 H LEU * 30 4.795 .236 2.381 1.00 .00 H ATOM 414 HA LEU * 30 6.082 2.574 1.323 1.00 .00 H ATOM 415 1HB LEU * 30 4.655 3.871 2.657 1.00 .00 H ATOM 416 2HB LEU * 30 3.720 2.514 2.062 1.00 .00 H ATOM 417 HG LEU * 30 4.717 1.466 4.316 1.00 .00 H ATOM 418 1HD1 LEU * 30 5.639 3.893 4.754 1.00 .00 H ATOM 419 2HD1 LEU * 30 3.970 4.245 5.175 1.00 .00 H ATOM 420 3HD1 LEU * 30 4.864 3.025 6.072 1.00 .00 H ATOM 421 1HD2 LEU * 30 2.202 3.012 3.713 1.00 .00 H ATOM 422 2HD2 LEU * 30 2.403 1.272 3.879 1.00 .00 H ATOM 423 3HD2 LEU * 30 2.435 2.307 5.304 1.00 .00 H ATOM 424 N GLY * 31 7.976 3.027 2.810 1.00 .00 N ATOM 425 CA GLY * 31 9.117 3.245 3.723 1.00 .00 C ATOM 426 C GLY * 31 9.725 1.907 4.103 1.00 .00 C ATOM 427 O GLY * 31 9.321 1.297 5.072 1.00 .00 O ATOM 428 H GLY * 31 7.993 3.403 1.907 1.00 .00 H ATOM 429 1HA GLY * 31 9.858 3.852 3.234 1.00 .00 H ATOM 430 2HA GLY * 31 8.772 3.749 4.615 1.00 .00 H ATOM 431 N SER * 32 10.685 1.465 3.339 1.00 .00 N ATOM 432 CA SER * 32 11.298 .185 3.665 1.00 .00 C ATOM 433 C SER * 32 12.064 .338 4.934 1.00 .00 C ATOM 434 O SER * 32 11.572 .866 5.892 1.00 .00 O ATOM 435 CB SER * 32 12.234 -.244 2.527 1.00 .00 C ATOM 436 OG SER * 32 11.367 -.421 1.415 1.00 .00 O ATOM 437 H SER * 32 11.018 1.990 2.592 1.00 .00 H ATOM 438 HA SER * 32 10.557 -.551 3.802 1.00 .00 H ATOM 439 1HB SER * 32 12.957 .519 2.317 1.00 .00 H ATOM 440 2HB SER * 32 12.727 -1.173 2.768 1.00 .00 H ATOM 441 HG SER * 32 11.468 -1.323 1.102 1.00 .00 H ATOM 442 N ASP * 33 13.268 .018 4.851 1.00 .00 N ATOM 443 CA ASP * 33 14.121 -.002 6.070 1.00 .00 C ATOM 444 C ASP * 33 14.421 1.416 6.468 1.00 .00 C ATOM 445 O ASP * 33 15.538 1.887 6.392 1.00 .00 O ATOM 446 CB ASP * 33 15.425 -.740 5.765 1.00 .00 C ATOM 447 CG ASP * 33 15.221 -2.238 5.989 1.00 .00 C ATOM 448 OD1 ASP * 33 15.215 -2.939 4.990 1.00 .00 O ATOM 449 OD2 ASP * 33 15.080 -2.598 7.146 1.00 .00 O ATOM 450 H ASP * 33 13.622 -.167 3.997 1.00 .00 H ATOM 451 HA ASP * 33 13.593 -.498 6.872 1.00 .00 H ATOM 452 1HB ASP * 33 15.714 -.568 4.738 1.00 .00 H ATOM 453 2HB ASP * 33 16.208 -.385 6.418 1.00 .00 H ATOM 455 N GLY * 34 13.386 2.060 6.889 1.00 .00 N ATOM 456 CA GLY * 34 13.493 3.473 7.259 1.00 .00 C ATOM 457 C GLY * 34 13.771 4.264 6.004 1.00 .00 C ATOM 458 O GLY * 34 14.367 5.323 6.061 1.00 .00 O ATOM 459 H GLY * 34 12.536 1.604 6.943 1.00 .00 H ATOM 460 1HA GLY * 34 12.566 3.804 7.702 1.00 .00 H ATOM 461 2HA GLY * 34 14.302 3.607 7.962 1.00 .00 H ATOM 462 N GLU * 35 13.320 3.733 4.873 1.00 .00 N ATOM 463 CA GLU * 35 13.617 4.400 3.607 1.00 .00 C ATOM 464 C GLU * 35 12.371 4.891 2.902 1.00 .00 C ATOM 465 O GLU * 35 11.493 5.498 3.481 1.00 .00 O ATOM 466 CB GLU * 35 14.352 3.414 2.704 1.00 .00 C ATOM 467 CG GLU * 35 15.443 2.703 3.512 1.00 .00 C ATOM 468 CD GLU * 35 16.648 2.434 2.608 1.00 .00 C ATOM 469 OE1 GLU * 35 16.665 1.357 2.036 1.00 .00 O ATOM 470 OE2 GLU * 35 17.484 3.321 2.542 1.00 .00 O ATOM 471 H GLU * 35 12.796 2.913 4.869 1.00 .00 H ATOM 472 HA GLU * 35 14.241 5.221 3.783 1.00 .00 H ATOM 473 1HB GLU * 35 13.655 2.692 2.319 1.00 .00 H ATOM 474 2HB GLU * 35 14.803 3.947 1.879 1.00 .00 H ATOM 475 1HG GLU * 35 15.749 3.326 4.340 1.00 .00 H ATOM 476 2HG GLU * 35 15.065 1.765 3.891 1.00 .00 H ATOM 478 N LYS * 36 12.363 4.617 1.661 1.00 .00 N ATOM 479 CA LYS * 36 11.287 5.114 .762 1.00 .00 C ATOM 480 C LYS * 36 10.128 4.121 .582 1.00 .00 C ATOM 481 O LYS * 36 10.152 3.011 1.078 1.00 .00 O ATOM 482 CB LYS * 36 11.904 5.397 -.610 1.00 .00 C ATOM 483 CG LYS * 36 12.552 6.785 -.596 1.00 .00 C ATOM 484 CD LYS * 36 13.178 7.075 -1.977 1.00 .00 C ATOM 485 CE LYS * 36 14.586 6.451 -2.074 1.00 .00 C ATOM 486 NZ LYS * 36 14.495 4.984 -2.315 1.00 .00 N ATOM 487 H LYS * 36 13.053 4.064 1.322 1.00 .00 H ATOM 488 HA LYS * 36 10.906 6.022 1.172 1.00 .00 H ATOM 489 1HB LYS * 36 12.650 4.650 -.828 1.00 .00 H ATOM 490 2HB LYS * 36 11.136 5.362 -1.369 1.00 .00 H ATOM 491 1HG LYS * 36 11.797 7.529 -.384 1.00 .00 H ATOM 492 2HG LYS * 36 13.306 6.825 .172 1.00 .00 H ATOM 493 1HD LYS * 36 12.548 6.659 -2.749 1.00 .00 H ATOM 494 2HD LYS * 36 13.248 8.142 -2.121 1.00 .00 H ATOM 495 1HE LYS * 36 15.120 6.904 -2.895 1.00 .00 H ATOM 496 2HE LYS * 36 15.135 6.628 -1.163 1.00 .00 H ATOM 497 1HZ LYS * 36 13.612 4.768 -2.819 1.00 .00 H ATOM 498 2HZ LYS * 36 15.306 4.676 -2.889 1.00 .00 H ATOM 499 3HZ LYS * 36 14.506 4.481 -1.403 1.00 .00 H ATOM 500 N ASN * 37 9.130 4.572 -.146 1.00 .00 N ATOM 501 CA ASN * 37 7.955 3.709 -.455 1.00 .00 C ATOM 502 C ASN * 37 8.036 3.192 -1.899 1.00 .00 C ATOM 503 O ASN * 37 8.626 3.827 -2.752 1.00 .00 O ATOM 504 CB ASN * 37 6.697 4.575 -.345 1.00 .00 C ATOM 505 CG ASN * 37 6.678 5.289 1.003 1.00 .00 C ATOM 506 OD1 ASN * 37 7.589 5.172 1.795 1.00 .00 O ATOM 507 ND2 ASN * 37 5.665 6.047 1.296 1.00 .00 N ATOM 508 H ASN * 37 9.144 5.494 -.466 1.00 .00 H ATOM 509 HA ASN * 37 7.911 2.873 .241 1.00 .00 H ATOM 510 1HB ASN * 37 6.702 5.316 -1.131 1.00 .00 H ATOM 511 2HB ASN * 37 5.814 3.965 -.446 1.00 .00 H ATOM 512 1HD2 ASN * 37 5.531 6.350 2.216 1.00 .00 H ATOM 513 2HD2 ASN * 37 5.038 6.316 .594 1.00 .00 H ATOM 514 N GLN * 38 7.445 2.055 -2.144 1.00 .00 N ATOM 515 CA GLN * 38 7.418 1.535 -3.534 1.00 .00 C ATOM 516 C GLN * 38 6.329 .470 -3.684 1.00 .00 C ATOM 517 O GLN * 38 5.938 -.157 -2.718 1.00 .00 O ATOM 518 CB GLN * 38 8.779 .930 -3.891 1.00 .00 C ATOM 519 CG GLN * 38 8.764 .501 -5.365 1.00 .00 C ATOM 520 CD GLN * 38 10.189 .573 -5.924 1.00 .00 C ATOM 521 OE1 GLN * 38 10.837 1.602 -5.872 1.00 .00 O ATOM 522 NE2 GLN * 38 10.713 -.491 -6.468 1.00 .00 N ATOM 523 H GLN * 38 7.017 1.559 -1.432 1.00 .00 H ATOM 524 HA GLN * 38 7.199 2.349 -4.189 1.00 .00 H ATOM 525 1HB GLN * 38 9.556 1.662 -3.733 1.00 .00 H ATOM 526 2HB GLN * 38 8.969 .070 -3.265 1.00 .00 H ATOM 527 1HG GLN * 38 8.398 -.511 -5.447 1.00 .00 H ATOM 528 2HG GLN * 38 8.123 1.159 -5.936 1.00 .00 H ATOM 529 1HE2 GLN * 38 11.492 -.409 -7.056 1.00 .00 H ATOM 530 2HE2 GLN * 38 10.326 -1.374 -6.285 1.00 .00 H ATOM 531 N CYS * 39 5.866 .284 -4.899 1.00 .00 N ATOM 532 CA CYS * 39 4.801 -.739 -5.135 1.00 .00 C ATOM 533 C CYS * 39 5.316 -2.007 -5.761 1.00 .00 C ATOM 534 O CYS * 39 5.884 -1.995 -6.836 1.00 .00 O ATOM 535 CB CYS * 39 3.712 -.176 -6.026 1.00 .00 C ATOM 536 SG CYS * 39 2.011 -.296 -5.405 1.00 .00 S ATOM 537 H CYS * 39 6.215 .814 -5.646 1.00 .00 H ATOM 538 HA CYS * 39 4.372 -.993 -4.215 1.00 .00 H ATOM 539 1HB CYS * 39 3.933 .864 -6.210 1.00 .00 H ATOM 540 2HB CYS * 39 3.755 -.695 -6.963 1.00 .00 H ATOM 542 N VAL * 40 5.107 -3.092 -5.055 1.00 .00 N ATOM 543 CA VAL * 40 5.454 -4.419 -5.641 1.00 .00 C ATOM 544 C VAL * 40 4.302 -5.392 -5.471 1.00 .00 C ATOM 545 O VAL * 40 3.448 -5.222 -4.640 1.00 .00 O ATOM 546 CB VAL * 40 6.686 -4.974 -4.958 1.00 .00 C ATOM 547 CG1 VAL * 40 6.512 -4.850 -3.448 1.00 .00 C ATOM 548 CG2 VAL * 40 6.873 -6.445 -5.329 1.00 .00 C ATOM 549 H VAL * 40 4.751 -3.023 -4.115 1.00 .00 H ATOM 550 HA VAL * 40 5.654 -4.299 -6.695 1.00 .00 H ATOM 551 HB VAL * 40 7.532 -4.425 -5.280 1.00 .00 H ATOM 552 1HG1 VAL * 40 5.575 -5.300 -3.153 1.00 .00 H ATOM 553 2HG1 VAL * 40 7.321 -5.354 -2.945 1.00 .00 H ATOM 554 3HG1 VAL * 40 6.510 -3.807 -3.167 1.00 .00 H ATOM 555 1HG2 VAL * 40 6.698 -6.582 -6.386 1.00 .00 H ATOM 556 2HG2 VAL * 40 7.882 -6.753 -5.098 1.00 .00 H ATOM 557 3HG2 VAL * 40 6.184 -7.052 -4.770 1.00 .00 H ATOM 558 N THR * 41 4.313 -6.381 -6.280 1.00 .00 N ATOM 559 CA THR * 41 3.274 -7.389 -6.232 1.00 .00 C ATOM 560 C THR * 41 3.558 -8.448 -5.158 1.00 .00 C ATOM 561 O THR * 41 4.689 -8.822 -4.935 1.00 .00 O ATOM 562 CB THR * 41 3.248 -8.045 -7.585 1.00 .00 C ATOM 563 OG1 THR * 41 4.224 -7.350 -8.349 1.00 .00 O ATOM 564 CG2 THR * 41 1.920 -7.821 -8.315 1.00 .00 C ATOM 565 H THR * 41 4.994 -6.449 -6.930 1.00 .00 H ATOM 566 HA THR * 41 2.354 -6.925 -6.041 1.00 .00 H ATOM 567 HB THR * 41 3.497 -9.057 -7.507 1.00 .00 H ATOM 568 HG1 THR * 41 4.019 -6.413 -8.312 1.00 .00 H ATOM 569 1HG2 THR * 41 1.096 -8.049 -7.655 1.00 .00 H ATOM 570 2HG2 THR * 41 1.847 -6.791 -8.633 1.00 .00 H ATOM 571 3HG2 THR * 41 1.869 -8.465 -9.182 1.00 .00 H ATOM 572 N GLY * 42 2.515 -8.917 -4.525 1.00 .00 N ATOM 573 CA GLY * 42 2.705 -9.950 -3.466 1.00 .00 C ATOM 574 C GLY * 42 1.697 -10.643 -2.542 1.00 .00 C ATOM 575 O GLY * 42 .737 -11.232 -2.997 1.00 .00 O ATOM 576 H GLY * 42 1.617 -8.594 -4.747 1.00 .00 H ATOM 577 1HA GLY * 42 2.136 -10.516 -4.191 1.00 .00 H ATOM 578 2HA GLY * 42 2.386 -9.113 -2.866 1.00 .00 H ATOM 579 N GLU * 43 1.949 -10.558 -1.259 1.00 .00 N ATOM 580 CA GLU * 43 1.025 -11.198 -.271 1.00 .00 C ATOM 581 C GLU * 43 .667 -10.201 .836 1.00 .00 C ATOM 582 O GLU * 43 1.496 -9.870 1.663 1.00 .00 O ATOM 583 CB GLU * 43 1.733 -12.406 .363 1.00 .00 C ATOM 584 CG GLU * 43 1.445 -13.671 -.458 1.00 .00 C ATOM 585 CD GLU * 43 2.027 -14.884 .271 1.00 .00 C ATOM 586 OE1 GLU * 43 1.303 -15.863 .357 1.00 .00 O ATOM 587 OE2 GLU * 43 3.161 -14.763 .702 1.00 .00 O ATOM 588 H GLU * 43 2.743 -10.077 -.946 1.00 .00 H ATOM 589 HA GLU * 43 .125 -11.515 -.768 1.00 .00 H ATOM 590 1HB GLU * 43 2.798 -12.227 .388 1.00 .00 H ATOM 591 2HB GLU * 43 1.376 -12.542 1.372 1.00 .00 H ATOM 592 1HG GLU * 43 .380 -13.806 -.572 1.00 .00 H ATOM 593 2HG GLU * 43 1.902 -13.588 -1.433 1.00 .00 H ATOM 595 N GLY * 44 -.554 -9.744 .833 1.00 .00 N ATOM 596 CA GLY * 44 -.965 -8.766 1.885 1.00 .00 C ATOM 597 C GLY * 44 -2.484 -8.760 2.063 1.00 .00 C ATOM 598 O GLY * 44 -3.164 -9.678 1.649 1.00 .00 O ATOM 599 H GLY * 44 -1.194 -10.038 .152 1.00 .00 H ATOM 600 1HA GLY * 44 -.500 -9.036 2.821 1.00 .00 H ATOM 601 2HA GLY * 44 -.640 -7.783 1.602 1.00 .00 H ATOM 602 N THR * 45 -2.980 -7.716 2.683 1.00 .00 N ATOM 603 CA THR * 45 -4.448 -7.633 2.919 1.00 .00 C ATOM 604 C THR * 45 -4.935 -6.162 2.789 1.00 .00 C ATOM 605 O THR * 45 -4.168 -5.238 2.978 1.00 .00 O ATOM 606 CB THR * 45 -4.712 -8.165 4.333 1.00 .00 C ATOM 607 OG1 THR * 45 -5.695 -9.176 4.169 1.00 .00 O ATOM 608 CG2 THR * 45 -5.363 -7.125 5.257 1.00 .00 C ATOM 609 H THR * 45 -2.391 -7.005 2.999 1.00 .00 H ATOM 610 HA THR * 45 -4.942 -8.255 2.206 1.00 .00 H ATOM 611 HB THR * 45 -3.816 -8.570 4.762 1.00 .00 H ATOM 612 HG1 THR * 45 -5.581 -9.561 3.297 1.00 .00 H ATOM 613 1HG2 THR * 45 -4.720 -6.261 5.351 1.00 .00 H ATOM 614 2HG2 THR * 45 -6.318 -6.821 4.860 1.00 .00 H ATOM 615 3HG2 THR * 45 -5.513 -7.558 6.235 1.00 .00 H ATOM 616 N PRO * 46 -6.215 -5.979 2.469 1.00 .00 N ATOM 617 CA PRO * 46 -6.820 -4.634 2.418 1.00 .00 C ATOM 618 C PRO * 46 -6.613 -3.876 3.743 1.00 .00 C ATOM 619 O PRO * 46 -6.554 -4.478 4.796 1.00 .00 O ATOM 620 CB PRO * 46 -8.322 -4.896 2.204 1.00 .00 C ATOM 621 CG PRO * 46 -8.511 -6.427 2.014 1.00 .00 C ATOM 622 CD PRO * 46 -7.135 -7.081 2.136 1.00 .00 C ATOM 623 HA PRO * 46 -6.411 -4.068 1.583 1.00 .00 H ATOM 624 1HB PRO * 46 -8.879 -4.568 3.066 1.00 .00 H ATOM 625 2HB PRO * 46 -8.666 -4.372 1.331 1.00 .00 H ATOM 626 1HG PRO * 46 -9.167 -6.816 2.774 1.00 .00 H ATOM 627 2HG PRO * 46 -8.925 -6.631 1.039 1.00 .00 H ATOM 628 1HD PRO * 46 -7.134 -7.819 2.919 1.00 .00 H ATOM 629 2HD PRO * 46 -6.853 -7.530 1.195 1.00 .00 H ATOM 630 N GLU * 47 -6.505