HEADER HYDROLASE(ACID PROTEINASE) 30-APR-90 5HVP TITLE Acetyl-Pepstatin At 2.0-Angstroms Resolution COMPND HIV-1 Protease Complex With Acetyl-pepstatin (NY5 Strain) SOURCE NY5 Strain Of Human Immunodeficiency Virus Type 1 Expressed SOURCE 2 In (Escherichia coli), The Inhibitor Is From (Streptomyces SOURCE 3 namwaensis) AUTHOR P.M.D.Fitzgerald,B.M.McKeever,J.F.VanMiddlesworth, AUTHOR 2 J.P.Springer JRNL AUTH P.M.D.Fitzgerald,B.M.McKeever,J.F.VanMiddlesworth, JRNL AUTH 2 J.P.Springer,J.C.Heimbach,C.-T.Leu,W.K.Herber, JRNL AUTH 3 R.A.F.Dixon,P.L.Darke JRNL TITL Acetyl-Pepstatin At 2.0-Angstroms Resolution JRNL REF J.BIOL.CHEM. V. 265 14209 1990 JRNL REFN ASTM JBCHA3 US ISSN 0021-9258 071 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.A.Navia,P.M.D.Fitzgerald,B.M.McKeever,C.-T.Leu, REMARK 1 AUTH 2 J.C.Heimbach,W.K.Herber,I.S.Sigal,P.L.Darke, REMARK 1 AUTH 3 J.P.Springer REMARK 1 TITL Three-dimensional Structure Of Aspartyl Protease REMARK 1 TITL 2 From Human Immunodeficiency Virus HIV-1 REMARK 1 REF NATURE V. 337 615 1989 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 REMARK 1 REFERENCE 2 REMARK 1 AUTH B.M.McKeever,M.A.Navia,P.M.D.Fitzgerald, REMARK 1 AUTH 2 J.P.Springer,C.-T.Leu,J.C.Heimbach,W.K.Herber, REMARK 1 AUTH 3 I.S.Sigal,P.L.Darke REMARK 1 TITL Crystallization Of The Aspartylprotease From The REMARK 1 TITL 2 Human Immunodefeciency Virus, HIV-1 REMARK 1 REF J.BIOL.CHEM. V. 264 1919 1989 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 REMARK 1 REFERENCE 3 REMARK 1 AUTH P.L.Darke,C.-T.Leu,L.J.Davis,J.C.Heimabch, REMARK 1 AUTH 2 R.E.Diehl,W.S.Hill,R.A.F.Dixon,I.S.Sigal REMARK 1 TITL Human Immunodeficiency Virus Protease. Bacterial REMARK 1 TITL 2 Expression And Characterization Of The Purified REMARK 1 TITL 3 Aspartic Protease REMARK 1 REF J.BIOL.CHEM. V. 264 2307 1989 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 REMARK 2 REMARK 2 RESOLUTION. 2. ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. BY THE RESTRAINED LEAST-SQUARES PROCEDURE OF J. REMARK 3 KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*). THE R REMARK 3 VALUE IS 0.176 FOR 12901 REFLECTIONS IN THE RESOLUTION REMARK 3 RANGE 8.0 TO 2.0 ANGSTROMS WITH I .GT. SIGMA(I). REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES (THE VALUES OF REMARK 3 SIGMA, IN PARENTHESES, ARE THE INPUT ESTIMATED REMARK 3 STANDARD DEVIATIONS THAT DETERMINE THE RELATIVE REMARK 3 WEIGHTS OF THE CORRESPONDING RESTRAINTS) REMARK 3 DISTANCE RESTRAINTS (ANGSTROMS) REMARK 3 BOND DISTANCE 0.018(0.020) REMARK 3 ANGLE DISTANCE 0.038(0.030) REMARK 3 PLANAR 1-4 DISTANCE 0.043(0.040) REMARK 3 PLANE RESTRAINT (ANGSTROMS) 0.015(0.020) REMARK 3 CHIRAL-CENTER RESTRAINT (ANGSTROMS**3) 0.177(0.150) REMARK 3 NON-BONDED CONTACT RESTRAINTS (ANGSTROMS) REMARK 3 SINGLE TORSION CONTACT 0.216(0.500) REMARK 3 MULTIPLE TORSION CONTACT 0.207(0.500) REMARK 3 POSSIBLE HYDROGEN BOND 0.245(0.500) REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINT (DEGREES) REMARK 3 PLANAR (OMEGA) 2.6(3.0) REMARK 3 STAGGERED 17.4(15.0) REMARK 3 ORTHONORMAL 18.1(20.0) REMARK 4 REMARK 4 THE TWO CHAINS OF THE DIMERIC ENZYME HAS BEEN ASSIGNED THE REMARK 4 THE CHAIN INDICATORS *A* AND *B*. REMARK 5 REMARK 5 THE INHIBITOR HAS BEEN ASSIGNED THE CHAIN INDICATOR *C*. REMARK 6 REMARK 6 THE INHIBITOR BINDS TO THE ENZYME IN TWO ROUGHLY TWOFOLD REMARK 6 SYMMETRIC ORIENTATIONS. THE ALTERNATE CONFORMATIONS ARE REMARK 6 REPRESENTED BY THE ALTERNATE LOCATION INDICATORS *1* AND REMARK 6 *2*. THE FIRST ORIENTATION, *1*, WAS DENOTED A IN THE REMARK 6 PUBLICATION CITED IN THE *JRNL* RECORDS ABOVE, WHILE THE REMARK 6 ALTERNATE ORIENTATION, *2*, WAS DENOTED B. REMARK 7 REMARK 7 IN THE PAPER CITED IN THE *JRNL* RECORDS ABOVE, THE *B* REMARK 7 CHAIN RESIDUES WERE NUMBERED FROM 201 TO 299. THIS REMARK 7 NUMBERING SCHEME HAS BEEN RETAINED. REMARK 8 REMARK 8 NO ELECTRON DENSITY WAS OBSERVED BEYOND THE POSITION OF THE REMARK 8 BETA CARBON OF RESIDUES ARG A 41, LYS A 43 AND GLN A 61 AND REMARK 8 NO ELECTRON DENSITY WAS OBSERVED FOR THE DELTA CARBON OF REMARK 8 RESIDUE ILE A 72. THEREFORE THE CORRESPONDING COORDINATES REMARK 8 ARE NOT INCLUDED IN THIS ENTRY. REMARK 9 REMARK 9 THE SHEET *S1* IS FORMED BY THE INTERDIGITATING STRANDS REMARK 9 FROM THE TWO MONOMERS OF THE DIMERIC ENZYME. STRANDS 1 AND REMARK 9 3 ARE FROM CHAIN *A*. STRANDS 2 AND 4 ARE FROM CHAIN *B*. REMARK 10 REMARK 10 WATER MOLECULES WITH ALTERNATE LOCATION INDICATOR *1* OR REMARK 10 *2* AND OCCUPANCY 0.50 EITHER CORRELATE WITH THE REMARK 10 APPROPRIATE ALTERNATE LOCATION (*1* OR *2*) OF AN AMINO REMARK 10 ACID SIDE CHAIN IN THE PROTEIN OR CORRELATE WITH A SECOND REMARK 10 WATER MOLECULE WHOSE POSITION CANNOT BE OCCUPIED REMARK 10 SIMULATANEOUSLY. REMARK 11 REMARK 11 THE SOLVENT AND CHLORIDE IONS ARE GIVEN IN THE HETATM LIST REMARK 11 IN ORDER OF INCREASING TEMPERATURE FACTORS. 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 2.4.3 15 Jul 2005 # REMARK 960 # by # REMARK 960 # P.E. Bourne, H.J. Bernstein and F.C. Bernstein # REMARK 960 # # REMARK 960 # http://www.bernstein-plus-sons.com/software # REMARK 960 # /pdb2cif # 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 # Please report problems to: # REMARK 960 # pdb2cif@bernstein-plus-sons.com # REMARK 960 ################################################### REMARK 960 REMARK 960 REMARK 960 data_5HVP REMARK 960 REMARK 960 _entry.id 5HVP 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 5HVP REMARK 960 _reflns.entry_id 5HVP REMARK 960 _cell.entry_id 5HVP REMARK 960 _cell.volume 234237.8 REMARK 960 _cell.details ? REMARK 960 _symmetry.entry_id 5HVP REMARK 960 _audit.revision_id 5HVP REMARK 960 _audit.creation_date 1990-04-30 REMARK 960 ;\ REMARK 960 2005-07-15 Converted to mmCIF format by pdb2cif.pl 2.4.3 REMARK 960 ; REMARK 960 ########################## REMARK 960 # # REMARK 960 # ENTITY_POLY_SEQ # REMARK 960 # # REMARK 960 ########################## REMARK 960 REMARK 960 loop_ REMARK 960 _entity.id REMARK 960 _entity.details REMARK 960 3 REMARK 960 ;\ REMARK 960 Protein chain: C REMARK 960 ; REMARK 960 4 'het group CL' REMARK 960 5 HOH REMARK 960 REMARK 960 loop_ REMARK 960 _chem_comp.id REMARK 960 _chem_comp.formula REMARK 960 _chem_comp.name REMARK 960 CL REMARK 960 ;\ REMARK 960 2(CL1 -) REMARK 960 ; REMARK 960 ;\ REMARK 960 CHLORIDE ION REMARK 960 ; REMARK 960 HOH REMARK 960 ;\ REMARK 960 170(H2 O1) REMARK 960 ; REMARK 960 ;\ REMARK 960 REMARK 960 ; REMARK 960 ALA 'C3 H7 N1 O2' Alanine REMARK 960 ARG 'C6 H14 N4 O2' Arginine 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 MET 'C5 H11 N1 O2 S1' REMARK 960 Methionine REMARK 960 PHE 'C9 H11 N1 O2' Phenylalanine REMARK 960 PRO 'C5 H9 N1 O2' Proline REMARK 960 THR 'C4 H9 N1 O3' Threonine REMARK 960 TRP 'C11 H12 N2 O2' Tryptophan REMARK 960 TYR 'C9 H11 N1 O3' Tyrosine REMARK 960 VAL 'C5 H11 N1 O2' Valine REMARK 960 ACE 'C2 H4 O2' ' Acetic Acid' 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 5HVP REMARK 960 REMARK 960 loop_ REMARK 960 _atom_sites.entry_id REMARK 960 _atom_sites.cartn_transform_axes REMARK 960 5HVP REMARK 960 'See _atom_sites.fract_transf_matrix[i][j]' REMARK 960 REMARK 960 loop_ REMARK 960 _atom_sites_alt.id REMARK 960 _atom_sites_alt.details REMARK 960 2 ? REMARK 960 REMARK 960 REMARK 960 REMARK 960 ###################### REMARK 960 # # REMARK 960 # ATOM_SITES_FOOTNOTE# REMARK 960 # # REMARK 960 ###################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 _database_2.database_id PDB REMARK 960 loop_ REMARK 960 _database_PDB_rev.num REMARK 960 _database_PDB_rev.date REMARK 960 _database_PDB_rev.mod_type REMARK 960 _database_PDB_rev.status REMARK 960 _database_PDB_rev.replaced_by REMARK 960 _database_PDB_rev.replaces REMARK 960 1 1991-10-15 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 A REMARK 960 B REMARK 960 C REMARK 960 loop_ REMARK 960 _struct_biol_gen.biol_id REMARK 960 _struct_biol_gen.asym_id REMARK 960 _struct_biol_gen.symmetry REMARK 960 _struct_biol_gen.details REMARK 960 5HVP B 1_555 . REMARK 960 5HVP C 1_555 . REMARK 960 5HVP CL 1_555 . REMARK 960 5HVP HOH 1_555 . REMARK 960 A A 1_555 . REMARK 960 B B 1_555 . REMARK 960 C C 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 saltbr 'salt bridge from PDB entry' ? REMARK 960 hydrog 'hydrogen bond 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.pdb2cif_ptnr1_atom_site_id REMARK 960 #< not in dictionary REMARK 960 _struct_conn.ptnr1_label_seq_id REMARK 960 _struct_conn.pdb2cif_ptnr2_atom_site_id REMARK 960 #< not in dictionary REMARK 960 _struct_conn.ptnr2_label_seq_id REMARK 960 2 . STA C 4 CA 1 . . STA C 4 REMARK 960 CB REMARK 960 1 . . REMARK 960 1576 103 1577 103 REMARK 960 3 . STA C 4 CA 1 . . STA C 4 REMARK 960 CH REMARK 960 1 . . REMARK 960 1576 103 1581 103 REMARK 960 4 . STA C 4 CB 1 . . STA C 4 REMARK 960 CG REMARK 960 1 . . REMARK 960 1577 103 1578 103 REMARK 960 5 . STA C 4 CD1 1 . . STA C 4 REMARK 960 CG REMARK 960 1 . . REMARK 960 1579 103 1578 103 REMARK 960 6 . STA C 4 CD2 1 . . STA C 4 REMARK 960 CG REMARK 960 1 . . REMARK 960 1580 103 1578 103 REMARK 960 7 . STA C 4 CH 1 . . STA C 4 REMARK 960 OH REMARK 960 1 . . REMARK 960 1581 103 1582 103 REMARK 960 8 . STA C 4 CH 1 . . STA C 4 REMARK 960 CM REMARK 960 1 . . REMARK 960 1581 103 1583 103 REMARK 960 9 . STA C 4 C 1 . . STA C 4 REMARK 960 CM REMARK 960 1 . . REMARK 960 1584 103 1583 103 REMARK 960 10 . STA C 4 C 1 . . STA C 4 O REMARK 960 1 . . REMARK 960 1584 103 1585 103 REMARK 960 11 . STA C 6 CA 1 . . STA C 6 N REMARK 960 1 . . REMARK 960 1592 105 1591 105 REMARK 960 12 . STA C 6 CA 1 . . STA C 6 REMARK 960 CB REMARK 960 1 . . REMARK 960 1592 105 1593 105 REMARK 960 13 . STA C 6 CA 1 . . STA C 6 REMARK 960 CH REMARK 960 1 . . REMARK 960 1592 105 1597 105 REMARK 960 14 . STA C 6 CB 1 . . STA C 6 REMARK 960 CG REMARK 960 1 . . REMARK 960 1593 105 1594 105 REMARK 960 15 . STA C 6 CD1 1 . . STA C 6 REMARK 960 CG REMARK 960 1 . . REMARK 960 1595 105 1594 105 REMARK 960 16 . STA C 6 CD2 1 . . STA C 6 REMARK 960 CG REMARK 960 1 . . REMARK 960 1596 105 1594 105 REMARK 960 17 . STA C 6 CH 1 . . STA C 6 REMARK 960 OH REMARK 960 1 . . REMARK 960 1597 105 1598 105 REMARK 960 18 . STA C 6 CH 1 . . STA C 6 REMARK 960 CM REMARK 960 1 . . REMARK 960 1597 105 1599 105 REMARK 960 19 . STA C 6 C 1 . . STA C 6 REMARK 960 CM REMARK 960 1 . . REMARK 960 1600 105 1599 105 REMARK 960 20 . STA C 6 C 1 . . STA C 6 O REMARK 960 1 . . REMARK 960 1600 105 1601 105 REMARK 960 21 . STA C 6 C 1 . . STA C 6 REMARK 960 OXT REMARK 960 1 . . REMARK 960 1600 105 1602 105 REMARK 960 22 . STA C 4 CA 2 . . STA C 4 N REMARK 960 2 . . REMARK 960 1621 103 1620 103 REMARK 960 23 . STA C 4 CA 2 . . STA C 4 REMARK 960 CB REMARK 960 2 . . REMARK 960 1621 103 1622 103 REMARK 960 24 . STA C 4 CA 2 . . STA C 4 REMARK 960 CH REMARK 960 2 . . REMARK 960 1621 103 1626 103 REMARK 960 25 . STA C 4 CB 2 . . STA C 4 REMARK 960 CG REMARK 960 2 . . REMARK 960 1622 103 1623 103 REMARK 960 26 . STA C 4 CD1 2 . . STA C 4 REMARK 960 CG REMARK 960 2 . . REMARK 960 1624 103 1623 103 REMARK 960 27 . STA C 4 CD2 2 . . STA C 4 REMARK 960 CG REMARK 960 2 . . REMARK 960 1625 103 1623 103 REMARK 960 28 . STA C 4 CH 2 . . STA C 4 REMARK 960 OH REMARK 960 2 . . REMARK 960 1626 103 1627 103 REMARK 960 29 . STA C 4 CH 2 . . STA C 4 REMARK 960 CM REMARK 960 2 . . REMARK 960 1626 103 1628 103 REMARK 960 30 . STA C 4 C 2 . . STA C 4 REMARK 960 CM REMARK 960 2 . . REMARK 960 1629 103 1628 103 REMARK 960 31 . STA C 4 C 2 . . STA C 4 O REMARK 960 2 . . REMARK 960 1629 103 1630 103 REMARK 960 32 . STA C 6 CA 2 . . STA C 6 N REMARK 960 2 . . REMARK 960 1637 105 1636 105 REMARK 960 33 . STA C 6 CA 2 . . STA C 6 REMARK 960 CB REMARK 960 2 . . REMARK 960 1637 105 1638 105 REMARK 960 34 . STA C 6 CA 2 . . STA C 6 REMARK 960 CH REMARK 960 2 . . REMARK 960 1637 105 1642 105 REMARK 960 35 . STA C 6 CB 2 . . STA C 6 REMARK 960 CG REMARK 960 2 . . REMARK 960 1638 105 1639 105 REMARK 960 36 . STA C 6 CD1 2 . . STA C 6 REMARK 960 CG REMARK 960 2 . . REMARK 960 1640 105 1639 105 REMARK 960 37 . STA C 6 CD2 2 . . STA C 6 REMARK 960 CG REMARK 960 2 . . REMARK 960 1641 105 1639 105 REMARK 960 38 . STA C 6 CH 2 . . STA C 6 REMARK 960 OH REMARK 960 2 . . REMARK 960 1642 105 1643 105 REMARK 960 39 . STA C 6 CH 2 . . STA C 6 REMARK 960 CM REMARK 960 2 . . REMARK 960 1642 105 1644 105 REMARK 960 40 . STA C 6 C 2 . . STA C 6 REMARK 960 CM REMARK 960 2 . . REMARK 960 1645 105 1644 105 REMARK 960 41 . STA C 6 C 2 . . STA C 6 O REMARK 960 2 . . REMARK 960 1645 105 1646 105 REMARK 960 42 . STA C 6 C 2 . . STA C 6 REMARK 960 OXT REMARK 960 2 . . REMARK 960 1645 105 1647 105 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 helix_H2 HELX_RH_AL_P ARG B 287 GLN B 292 REMARK 960 'RIGHT-HANDED ALPHA HELIX' REMARK 960 87 92 REMARK 960 turn_T1 TURN_P ILE A 15 GLN A 18 REMARK 960 'TYPE I(PRIME)' REMARK 960 15 18 REMARK 960 turn_T2 TURN_P GLY A 49 GLY A 52 'TYPE II' REMARK 960 49 52 REMARK 960 turn_T3 TURN_P ILE A 66 HIS A 69 REMARK 960 'TYPE I(PRIME)' REMARK 960 66 69 REMARK 960 turn_T4 TURN_P THR A 91 GLY A 94 'TYPE I' REMARK 960 91 94 REMARK 960 turn_T5 TURN_P ILE B 215 GLN B 218 REMARK 960 'TYPE I(PRIME)' REMARK 960 15 18 REMARK 960 turn_T6 TURN_P GLY B 249 GLY B 252 'TYPE I' REMARK 960 49 52 REMARK 960 turn_T7 TURN_P ILE B 266 HIS B 269 REMARK 960 'TYPE I(PRIME)' REMARK 960 66 69 REMARK 960 turn_T8 TURN_P THR B 291 GLY B 294 'TYPE I' REMARK 960 91 94 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 S2 2 REMARK 960 S3 3 REMARK 960 S4 2 REMARK 960 S5 2 REMARK 960 S6 2 REMARK 960 S7 3 REMARK 960 S8 2 REMARK 960 S9 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 S1 2_S1 3_S1 298 N 96 O 298 N 96 REMARK 960 O REMARK 960 98 96 98 96 REMARK 960 S1 3_S1 4_S1 97 N 203 O 97 N 203 REMARK 960 O REMARK 960 97 3 97 3 REMARK 960 S2 1_S2 2_S2 11 N 22 O 11 N 22 REMARK 960 O REMARK 960 11 22 11 22 REMARK 960 S3 1_S3 2_S3 23 N 83 O 23 N 83 REMARK 960 O REMARK 960 23 83 23 83 REMARK 960 S3 2_S3 3_S3 84 O 32 N 84 O 32 REMARK 960 N REMARK 960 84 32 84 32 REMARK 960 S4 1_S4 2_S4 43 N 58 O 43 N 58 REMARK 960 O REMARK 960 43 58 43 58 REMARK 960 S5 1_S5 2_S5 62 O 73 N 62 O 73 REMARK 960 N REMARK 960 62 73 62 73 REMARK 960 S6 1_S6 2_S6 211 N 222 O 211 N 222 REMARK 960 O REMARK 960 11 22 11 22 REMARK 960 S7 1_S7 2_S7 223 N 283 O 223 N 283 REMARK 960 O REMARK 960 23 83 23 83 REMARK 960 S7 2_S7 3_S7 284 O 232 N 284 O 232 REMARK 960 N REMARK 960 84 32 84 32 REMARK 960 S8 1_S8 2_S8 243 N 258 O 243 N 258 REMARK 960 O REMARK 960 43 58 43 58 REMARK 960 S9 1_S9 2_S9 262 O 273 N 262 O 273 REMARK 960 N REMARK 960 62 73 62 73 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 S1 2_S1 3_S1 1 anti-parallel REMARK 960 S1 3_S1 4_S1 1 anti-parallel REMARK 960 S2 1_S2 2_S2 1 anti-parallel REMARK 960 S3 1_S3 2_S3 1 parallel REMARK 960 S3 2_S3 3_S3 1 anti-parallel REMARK 960 S4 1_S4 2_S4 1 anti-parallel REMARK 960 S5 1_S5 2_S5 1 anti-parallel REMARK 960 S6 1_S6 2_S6 1 anti-parallel REMARK 960 S7 1_S7 2_S7 1 parallel REMARK 960 S7 2_S7 3_S7 1 anti-parallel REMARK 960 S8 1_S8 2_S8 1 anti-parallel REMARK 960 S9 1_S9 2_S9 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 S1 2_S1 CYS B 295 PHE B 299 REMARK 960 95 99 REMARK 960 S1 3_S1 CYS A 95 PHE A 99 REMARK 960 95 99 REMARK 960 S1 4_S1 PRO B 201 LEU B 205 REMARK 960 1 5 REMARK 960 S2 1_S2 VAL A 11 ILE A 15 REMARK 960 11 15 REMARK 960 S2 2_S2 GLN A 18 ALA A 22 REMARK 960 18 22 REMARK 960 S3 1_S3 ALA A 22 LEU A 24 REMARK 960 22 24 REMARK 960 S3 2_S3 ASN A 83 GLY A 86 REMARK 960 83 86 REMARK 960 S3 3_S3 ASP A 30 VAL A 32 REMARK 960 30 32 REMARK 960 S4 1_S4 LYS A 43 GLY A 49 REMARK 960 43 49 REMARK 960 S4 2_S4 GLY A 52 GLN A 58 REMARK 960 52 58 REMARK 960 S5 1_S5 ILE A 62 ILE A 66 REMARK 960 62 66 REMARK 960 S5 2_S5 HIS A 69 GLY A 73 REMARK 960 69 73 REMARK 960 S6 1_S6 VAL B 211 ILE B 215 REMARK 960 11 15 REMARK 960 S6 2_S6 GLN B 218 ALA B 222 REMARK 960 18 22 REMARK 960 S7 1_S7 ALA B 222 LEU B 224 REMARK 960 22 24 REMARK 960 S7 2_S7 ASN B 283 GLY B 286 REMARK 960 83 86 REMARK 960 S7 3_S7 ASP B 230 VAL B 232 REMARK 960 30 32 REMARK 960 S8 1_S8 LYS B 243 GLY B 249 REMARK 960 43 49 REMARK 960 S8 2_S8 GLY B 252 GLN B 258 REMARK 960 52 58 REMARK 960 S9 1_S9 ILE B 262 ILE B 266 REMARK 960 62 66 REMARK 960 S9 2_S9 HIS B 269 GLY B 273 REMARK 960 69 73 REMARK 960 REMARK 960 ########################## REMARK 960 # # REMARK 960 # PDBX_POLY_SEQ_SCHEME # REMARK 960 # # REMARK 960 ########################## REMARK 960 REMARK 960 loop_ REMARK 960 _pdbx_poly_seq_scheme.asym_id REMARK 960 _pdbx_poly_seq_scheme.entity_id REMARK 960 _pdbx_poly_seq_scheme.seq_id REMARK 960 _pdbx_poly_seq_scheme.mon_id REMARK 960 _pdbx_poly_seq_scheme.auth_num REMARK 960 #< not in dictionary REMARK 960 _pdbx_poly_seq_scheme.pdb_strand_id REMARK 960 A 1 2 GLN 2 1_S1 REMARK 960 A 1 3 ILE 3 1_S1 REMARK 960 A 1 4 THR 4 1_S1 REMARK 960 A 1 5 LEU 5 1_S1 REMARK 960 A 1 6 TRP 6 . REMARK 960 A 1 7 GLN 7 . REMARK 960 A 1 8 ARG 8 . REMARK 960 A 1 9 PRO 9 . REMARK 960 A 1 10 LEU 10 . REMARK 960 A 1 11 VAL 11 1_S2 REMARK 960 A 1 12 THR 12 1_S2 REMARK 960 A 1 13 ILE 13 1_S2 REMARK 960 A 1 14 LYS 14 1_S2 REMARK 960 A 1 15 ILE 15 1_S2 REMARK 960 A 1 16 GLY 16 . REMARK 960 A 1 17 GLY 17 . REMARK 960 A 1 18 GLN 18 2_S2 REMARK 960 A 1 19 LEU 19 2_S2 REMARK 960 A 1 20 LYS 20 2_S2 REMARK 960 A 1 21 GLU 21 2_S2 REMARK 960 A 1 22 ALA 22 1_S3 REMARK 960 A 1 23 LEU 23 1_S3 REMARK 960 A 1 24 LEU 24 1_S3 REMARK 960 A 1 25 ASP 25 . REMARK 960 A 1 26 THR 26 . REMARK 960 A 1 27 GLY 27 . REMARK 960 A 1 28 ALA 28 . REMARK 960 A 1 29 ASP 29 . REMARK 960 A 1 30 ASP 30 3_S3 REMARK 960 A 1 31 THR 31 3_S3 REMARK 960 A 1 32 VAL 32 3_S3 REMARK 960 A 1 33 LEU 33 . REMARK 960 A 1 34 GLU 34 . REMARK 960 A 1 35 GLU 35 . REMARK 960 A 1 36 MET 36 . REMARK 960 A 1 37 ASN 37 . REMARK 960 A 1 38 LEU 38 . REMARK 960 A 1 39 PRO 39 . REMARK 960 A 1 40 GLY 40 . REMARK 960 A 1 41 ARG 41 . REMARK 960 A 1 42 TRP 42 . REMARK 960 A 1 43 LYS 43 1_S4 REMARK 960 A 1 44 PRO 44 1_S4 REMARK 960 A 1 45 LYS 45 1_S4 REMARK 960 A 1 46 MET 46 1_S4 REMARK 960 A 1 47 ILE 47 1_S4 REMARK 960 A 1 48 GLY 48 1_S4 REMARK 960 A 1 49 GLY 49 1_S4 REMARK 960 A 1 50 ILE 50 . REMARK 960 A 1 51 GLY 51 . REMARK 960 A 1 52 GLY 52 2_S4 REMARK 960 A 1 53 PHE 53 2_S4 REMARK 960 A 1 54 ILE 54 2_S4 REMARK 960 A 1 55 LYS 55 2_S4 REMARK 960 A 1 56 VAL 56 2_S4 REMARK 960 A 1 57 ARG 57 2_S4 REMARK 960 A 1 58 GLN 58 2_S4 REMARK 960 A 1 59 TYR 59 . REMARK 960 A 1 60 ASP 60 . REMARK 960 A 1 61 GLN 61 . REMARK 960 A 1 62 ILE 62 1_S5 REMARK 960 A 1 63 LEU 63 1_S5 REMARK 960 A 1 64 ILE 64 1_S5 REMARK 960 A 1 65 GLU 65 1_S5 REMARK 960 A 1 66 ILE 66 1_S5 REMARK 960 A 1 67 CYS 67 . REMARK 960 A 1 68 GLY 68 . REMARK 960 A 1 69 HIS 69 2_S5 REMARK 960 A 1 70 LYS 70 2_S5 REMARK 960 A 1 71 ALA 71 2_S5 REMARK 960 A 1 72 ILE 72 2_S5 REMARK 960 A 1 73 GLY 73 2_S5 REMARK 960 A 1 74 THR 74 . REMARK 960 A 1 75 VAL 75 . REMARK 960 A 1 76 LEU 76 . REMARK 960 A 1 77 VAL 77 . REMARK 960 A 1 78 GLY 78 . REMARK 960 A 1 79 PRO 79 . REMARK 960 A 1 80 THR 80 . REMARK 960 A 1 81 PRO 81 . REMARK 960 A 1 82 VAL 82 . REMARK 960 A 1 83 ASN 83 2_S3 REMARK 960 A 1 84 ILE 84 2_S3 REMARK 960 A 1 85 ILE 85 2_S3 REMARK 960 A 1 86 GLY 86 2_S3 REMARK 960 A 1 87 ARG 87 . REMARK 960 A 1 88 ASN 88 . REMARK 960 A 1 89 LEU 89 . REMARK 960 A 1 90 LEU 90 . REMARK 960 A 1 91 THR 91 . REMARK 960 A 1 92 GLN 92 . REMARK 960 A 1 93 ILE 93 . REMARK 960 A 1 94 GLY 94 . REMARK 960 A 1 95 CYS 95 3_S1 REMARK 960 A 1 96 THR 96 3_S1 REMARK 960 A 1 97 LEU 97 3_S1 REMARK 960 A 1 98 ASN 98 3_S1 REMARK 960 A 1 99 PHE 99 3_S1 REMARK 960 B 1 1 PRO 201 . REMARK 960 B 1 2 GLN 202 . REMARK 960 B 1 3 ILE 203 . REMARK 960 B 1 4 THR 204 . REMARK 960 B 1 5 LEU 205 . REMARK 960 B 1 6 TRP 206 . REMARK 960 B 1 7 GLN 207 . REMARK 960 B 1 8 ARG 208 . REMARK 960 B 1 9 PRO 209 . REMARK 960 B 1 10 LEU 210 . REMARK 960 B 1 11 VAL 211 . REMARK 960 B 1 12 THR 212 . REMARK 960 B 1 13 ILE 213 . REMARK 960 B 1 14 LYS 214 . REMARK 960 B 1 15 ILE 215 . REMARK 960 B 1 16 GLY 216 . REMARK 960 B 1 17 GLY 217 . REMARK 960 B 1 18 GLN 218 . REMARK 960 B 1 19 LEU 219 . REMARK 960 B 1 20 LYS 220 . REMARK 960 B 1 21 GLU 221 . REMARK 960 B 1 22 ALA 222 . REMARK 960 B 1 23 LEU 223 . REMARK 960 B 1 24 LEU 224 . REMARK 960 B 1 25 ASP 225 . REMARK 960 B 1 26 THR 226 . REMARK 960 B 1 27 GLY 227 . REMARK 960 B 1 28 ALA 228 . REMARK 960 B 1 29 ASP 229 . REMARK 960 B 1 30 ASP 230 . REMARK 960 B 1 31 THR 231 . REMARK 960 B 1 32 VAL 232 . REMARK 960 B 1 33 LEU 233 . REMARK 960 B 1 34 GLU 234 . REMARK 960 B 1 35 GLU 235 . REMARK 960 B 1 36 MET 236 . REMARK 960 B 1 37 ASN 237 . REMARK 960 B 1 38 LEU 238 . REMARK 960 B 1 39 PRO 239 . REMARK 960 B 1 40 GLY 240 . REMARK 960 B 1 41 ARG 241 . REMARK 960 B 1 42 TRP 242 . REMARK 960 B 1 43 LYS 243 . REMARK 960 B 1 44 PRO 244 . REMARK 960 B 1 45 LYS 245 . REMARK 960 B 1 46 MET 246 . REMARK 960 B 1 47 ILE 247 . REMARK 960 B 1 48 GLY 248 . REMARK 960 B 1 49 GLY 249 . REMARK 960 B 1 50 ILE 250 . REMARK 960 B 1 51 GLY 251 . REMARK 960 B 1 52 GLY 252 . REMARK 960 B 1 53 PHE 253 . REMARK 960 B 1 54 ILE 254 . REMARK 960 B 1 55 LYS 255 . REMARK 960 B 1 56 VAL 256 . REMARK 960 B 1 57 ARG 257 . REMARK 960 B 1 58 GLN 258 . REMARK 960 B 1 59 TYR 259 . REMARK 960 B 1 60 ASP 260 . REMARK 960 B 1 61 GLN 261 . REMARK 960 B 1 62 ILE 262 . REMARK 960 B 1 63 LEU 263 . REMARK 960 B 1 64 ILE 264 . REMARK 960 B 1 65 GLU 265 . REMARK 960 B 1 66 ILE 266 . REMARK 960 B 1 67 CYS 267 . REMARK 960 B 1 68 GLY 268 . REMARK 960 B 1 69 HIS 269 . REMARK 960 B 1 70 LYS 270 . REMARK 960 B 1 71 ALA 271 . REMARK 960 B 1 72 ILE 272 . REMARK 960 B 1 73 GLY 273 . REMARK 960 B 1 74 THR 274 . REMARK 960 B 1 75 VAL 275 . REMARK 960 B 1 76 LEU 276 . REMARK 960 B 1 77 VAL 277 . REMARK 960 B 1 78 GLY 278 . REMARK 960 B 1 79 PRO 279 . REMARK 960 B 1 80 THR 280 . REMARK 960 B 1 81 PRO 281 . REMARK 960 B 1 82 VAL 282 . REMARK 960 B 1 83 ASN 283 . REMARK 960 B 1 84 ILE 284 . REMARK 960 B 1 85 ILE 285 . REMARK 960 B 1 86 GLY 286 . REMARK 960 B 1 87 ARG 287 . REMARK 960 B 1 88 ASN 288 . REMARK 960 B 1 89 LEU 289 . REMARK 960 B 1 90 LEU 290 . REMARK 960 B 1 91 THR 291 . REMARK 960 B 1 92 GLN 292 . REMARK 960 B 1 93 ILE 293 . REMARK 960 B 1 94 GLY 294 . REMARK 960 B 1 95 CYS 295 . REMARK 960 B 1 96 THR 296 . REMARK 960 B 1 97 LEU 297 . REMARK 960 B 1 98 ASN 298 . REMARK 960 B 1 99 PHE 299 . REMARK 960 C 3 100 ACE 1 . REMARK 960 C 3 101 VAL 2 . REMARK 960 C 3 102 VAL 3 . REMARK 960 C 3 103 STA 4 . REMARK 960 C 3 104 ALA 5 . REMARK 960 C 3 105 STA 6 . 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 REMARK 960 5HVP REMARK 960 '_struct_conn.pdb2cif_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 2.4.3 15 Jul 2005 # 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 IT # 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 # http://www.bernstein-plus-sons.com # REMARK 960 # /software/pdb2cif or # 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/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., 31, # REMARK 960 # 1998, pp 282-295. # REMARK 960 # # REMARK 960 # Please report problems to: # REMARK 960 # pdb2cif@bernstein-plus-sons.com # REMARK 960 # # REMARK 960 ############################################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 # REMARK records parsed = 87; REMARK 960 ## specified by PDB REMARK 960 # FTNOTE records parsed = 13; REMARK 960 ## specified by PDB REMARK 960 # HET records parsed = 4; REMARK 960 ## specified by PDB REMARK 960 # HELIX records parsed = 2; REMARK 960 ## specified by PDB REMARK 960 # SHEET records parsed = 22; REMARK 960 ## specified by PDB REMARK 960 # TURN records parsed = 8; REMARK 960 ## specified by PDB REMARK 960 # SITE records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # AT+HET records parsed = 1802; REMARK 960 ## specified by PDB REMARK 960 # TER records parsed = 2; REMARK 960 ## specified by PDB REMARK 960 # CONECT records parsed = 46; REMARK 960 ## specified by PDB REMARK 960 # SEQRES records parsed = 17; REMARK 960 ## specified by PDB REMARK 960 # Total of 2039 records processed from PDB file REMARK 960 #=# DATABASE_PDB_REMARK: Only text in col REMARK 960 #umns 12-70 retained REMARK 960 #=# PUBL_MANUSCRIPT_INCL: Tokens _struct_conn. REMARK 960 #=# PUBL_MANUSCRIPT_INCL: pdb2cif_ptnrn REMARK 960 #_atom_site_id used SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 C 6 ACE VAL VAL STA ALA STA FTNOTE 1 SIDE CHAINS OF THESE RESIDUES HAVE BEEN MODELED IN TWO FTNOTE 1 ALTERNATE CONFORMATIONS AND ASSIGNED ALTERNATE LOCATION FTNOTE 1 INDICATORS *1* AND *2*. FTNOTE 2 THE OCCUPANCIES OF SOLVENT MOLECULES WHICH CORRELATED WITH FTNOTE 2 STATIC DISORDER IN THE PROTEIN HAVE BEEN SET TO LESS THAN FTNOTE 2 UNITY. WATER MOLECULES WITH ALTERNATE LOCATION INDICATOR FTNOTE 2 *1* AND OCCUPANCY 0.58 CORRELATE WITH INHIBITOR ORIENTATIO FTNOTE 2 *1*. WATER MOLECULES WITH ALTERNATE LOCATION INDICATOR *2* FTNOTE 2 AND OCCUPANCY 0.42 CORRELATE WITH INHIBITOR ORIENTATION *2* FTNOTE 2 IF THE SOLVENT MOLECULE IS DISTANT FROM THE BOUND INHIBITOR FTNOTE 2 AN OCCUPANCY OF 0.50 HAS BEEN ASSIGNED. CRYST1 58.390 86.700 46.270 90.00 90.00 90.00 P 21 21 2 4 ORIGX1 0.017126 0.000000 0.000000 0.00000 ORIGX2 0.000000 0.011534 0.000000 0.00000 ORIGX3 0.000000 0.000000 0.021612 0.00000 SCALE1 0.017126 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011534 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021612 0.00000 ATOM 1 N PRO A 1 29.061 39.981 4.981 1.00 28.69 N ATOM 2 CA PRO A 1 29.970 38.922 4.561 1.00 29.08 C ATOM 3 C PRO A 1 29.325 38.106 3.429 1.00 29.19 C ATOM 4 O PRO A 1 28.097 38.168 3.298 1.00 29.87 O ATOM 5 CB PRO A 1 30.106 38.013 5.789 1.00 29.07 C ATOM 6 CG PRO A 1 28.749 38.112 6.413 1.00 28.59 C ATOM 7 CD PRO A 1 28.387 39.600 6.246 1.00 29.21 C ATOM 8 N GLN A 2 30.153 37.412 2.681 1.00 28.13 N ATOM 9 CA GLN A 2 29.636 36.572 1.593 1.00 27.95 C ATOM 10 C GLN A 2 29.861 35.139 2.082 1.00 27.28 C ATOM 11 O GLN A 2 31.038 34.773 2.266 1.00 27.61 O ATOM 12 CB GLN A 2 30.373 36.787 0.305 1.00 28.43 C ATOM 13 CG GLN A 2 30.346 35.501 -0.539 1.00 29.40 C ATOM 14 CD GLN A 2 30.921 35.844 -1.899 1.00 29.51 C ATOM 15 OE1 GLN A 2 31.894 35.283 -2.340 1.00 30.56 O ATOM 16 NE2 GLN A 2 30.288 36.839 -2.518 1.00 30.01 N ATOM 17 N ILE A 3 28.781 34.445 2.318 1.00 25.31 N ATOM 18 CA ILE A 3 28.879 33.060 2.829 1.00 23.38 C ATOM 19 C ILE A 3 28.737 32.124 1.637 1.00 22.61 C ATOM 20 O ILE A 3 27.836 32.313 0.835 1.00 21.98 O ATOM 21 CB ILE A 3 27.725 32.943 3.878 1.00 23.09 C ATOM 22 CG1 ILE A 3 27.924 34.066 4.950 1.00 23.06 C ATOM 23 CG2 ILE A 3 27.537 31.564 4.529 1.00 22.44 C ATOM 24 CD1 ILE A 3 26.701 34.133 5.945 1.00 23.02 C ATOM 25 N THR A 4 29.617 31.137 1.532 1.00 21.67 N ATOM 26 CA THR A 4 29.513 30.113 0.468 1.00 19.49 C ATOM 27 C THR A 4 28.695 28.979 1.096 1.00 18.82 C ATOM 28 O THR A 4 28.553 28.960 2.335 1.00 18.30 O ATOM 29 CB THR A 4 30.920 29.641 -0.032 1.00 19.93 C ATOM 30 OG1 THR A 4 31.632 29.194 1.195 1.00 20.26 O ATOM 31 CG2 THR A 4 31.629 30.778 -0.752 1.00 19.66 C ATOM 32 N LEU A 5 28.199 28.090 0.273 1.00 18.18 N ATOM 33 CA LEU A 5 27.327 27.003 0.728 1.00 17.71 C ATOM 34 C LEU A 5 27.942 25.635 0.667 1.00 16.85 C ATOM 35 O LEU A 5 27.204 24.650 0.484 1.00 17.09 O ATOM 36 CB LEU A 5 26.007 27.179 -0.085 1.00 16.76 C ATOM 37 CG LEU A 5 25.319 28.529 0.128 1.00 17.80 C ATOM 38 CD1 LEU A 5 24.267 28.790 -0.914 1.00 17.33 C ATOM 39 CD2 LEU A 5 24.760 28.634 1.525 1.00 16.65 C ATOM 40 N TRP A 6 29.241 25.547 0.821 1.00 16.49 N ATOM 41 CA TRP A 6 29.974 24.273 0.856 1.00 15.93 C ATOM 42 C TRP A 6 29.579 23.650 2.189 1.00 15.88 C ATOM 43 O TRP A 6 29.417 22.421 2.259 1.00 14.82 O ATOM 44 CB TRP A 6 31.463 24.442 0.690 1.00 16.51 C ATOM 45 CG TRP A 6 32.037 24.918 -0.581 1.00 16.94 C ATOM 46 CD1 TRP A 6 32.659 26.119 -0.816 1.00 17.13 C ATOM 47 CD2 TRP A 6 32.103 24.177 -1.829 1.00 17.44 C ATOM 48 NE1 TRP A 6 33.088 26.201 -2.118 1.00 17.87 N ATOM 49 CE2 TRP A 6 32.790 24.985 -2.747 1.00 18.34 C ATOM 50 CE3 TRP A 6 31.676 22.929 -2.214 1.00 18.98 C ATOM 51 CZ2 TRP A 6 33.038 24.593 -4.057 1.00 18.87 C ATOM 52 CZ3 TRP A 6 31.970 22.474 -3.504 1.00 19.09 C ATOM 53 CH2 TRP A 6 32.620 23.310 -4.417 1.00 18.63 C ATOM 54 N GLN A 7 29.323 24.540 3.154 1.00 15.33 N ATOM 55 CA GLN A 7 28.869 23.997 4.484 1.00 15.88 C ATOM 56 C GLN A 7 27.502 24.592 4.839 1.00 15.32 C ATOM 57 O GLN A 7 27.088 25.559 4.199 1.00 14.31 O ATOM 58 CB GLN A 7 29.819 24.531 5.588 1.00 16.42 C ATOM 59 CG GLN A 7 31.188 23.883 5.546 1.00 18.12 C ATOM 60 CD GLN A 7 32.241 24.312 4.612 1.00 18.67 C ATOM 61 OE1 GLN A 7 32.716 25.442 4.407 1.00 18.62 O ATOM 62 NE2 GLN A 7 32.840 23.261 3.934 1.00 19.38 N ATOM 63 N ARG A 8 26.952 24.059 5.919 1.00 15.78 N ATOM 64 CA ARG A 8 25.689 24.716 6.375 1.00 16.84 C ATOM 65 C ARG A 8 26.014 26.142 6.777 1.00 16.79 C ATOM 66 O ARG A 8 26.952 26.417 7.594 1.00 16.86 O ATOM 67 CB ARG A 8 25.168 23.982 7.615 1.00 16.91 C ATOM 68 CG ARG A 8 24.736 22.578 7.194 1.00 17.67 C ATOM 69 CD ARG A 8 23.806 22.038 8.308 1.00 18.68 C ATOM 70 NE ARG A 8 23.212 20.826 7.685 1.00 18.52 N ATOM 71 CZ ARG A 8 23.209 19.775 8.562 1.00 20.11 C ATOM 72 NH1 ARG A 8 22.865 18.553 8.231 1.00 19.48 N ATOM 73 NH2 ARG A 8 23.560 20.080 9.807 1.00 19.94 N ATOM 74 N PRO A 9 25.215 27.070 6.255 1.00 16.01 N ATOM 75 CA PRO A 9 25.415 28.480 6.613 1.00 15.07 C ATOM 76 C PRO A 9 24.957 28.708 8.047 1.00 14.72 C ATOM 77 O PRO A 9 23.901 29.299 8.192 1.00 12.46 O ATOM 78 CB PRO A 9 24.469 29.227 5.655 1.00 14.50 C ATOM 79 CG PRO A 9 23.490 28.243 5.179 1.00 14.45 C ATOM 80 CD PRO A 9 24.117 26.857 5.291 1.00 15.06 C ATOM 81 N LEU A 10 25.755 28.437 9.067 1.00 16.67 N ATOM 82 CA LEU A 10 25.452 28.653 10.471 1.00 17.14 C ATOM 83 C LEU A 10 26.111 29.924 11.002 1.00 18.34 C ATOM 84 O LEU A 10 27.298 30.181 10.680 1.00 18.34 O ATOM 85 CB LEU A 10 25.929 27.501 11.355 1.00 17.99 C ATOM 86 CG LEU A 10 25.257 26.163 11.238 1.00 18.72 C ATOM 87 CD1 LEU A 10 26.026 25.108 12.055 1.00 18.37 C ATOM 88 CD2 LEU A 10 23.804 26.194 11.734 1.00 19.00 C ATOM 89 N VAL A 11 25.369 30.691 11.795 1.00 17.93 N ATOM 90 CA VAL A 11 25.970 31.965 12.332 1.00 17.75 C ATOM 91 C VAL A 11 25.569 32.010 13.808 1.00 17.83 C ATOM 92 O VAL A 11 24.735 31.190 14.167 1.00 17.53 O ATOM 93 CB VAL A 11 25.379 33.146 11.540 1.00 17.66 C ATOM 94 CG1 VAL A 11 25.584 33.034 10.030 1.00 18.86 C ATOM 95 CG2 VAL A 11 23.933 33.309 11.872 1.00 17.12 C ATOM 96 N THR A 12 26.095 32.930 14.590 1.00 18.97 1 N ATOM 97 CA THR A 12 25.734 32.995 16.032 1.00 19.80 1 C ATOM 98 C THR A 12 24.695 34.106 16.113 1.00 20.92 1 C ATOM 99 O THR A 12 24.869 35.118 15.421 1.00 21.84 1 O ATOM 100 CB THR A 12 26.911 33.346 17.018 1.00 20.51 1 C ATOM 101 OG11THR A 12 27.946 33.921 16.183 0.50 20.29 1 O ATOM 102 OG12THR A 12 27.769 32.142 17.103 0.50 20.59 1 O ATOM 103 CG21THR A 12 27.418 32.181 17.878 0.50 20.47 1 C ATOM 104 CG22THR A 12 26.489 33.778 18.426 0.50 20.00 1 C ATOM 105 N ILE A 13 23.664 33.855 16.884 1.00 22.08 N ATOM 106 CA ILE A 13 22.623 34.850 17.093 1.00 23.44 C ATOM 107 C ILE A 13 22.657 35.113 18.610 1.00 25.77 C ATOM 108 O ILE A 13 23.123 34.250 19.406 1.00 26.28 O ATOM 109 CB ILE A 13 21.236 34.463 16.492 1.00 22.67 C ATOM 110 CG1 ILE A 13 20.478 33.469 17.371 1.00 22.14 C ATOM 111 CG2 ILE A 13 21.357 33.986 15.016 1.00 21.75 C ATOM 112 CD1 ILE A 13 19.090 32.994 16.868 1.00 20.60 C ATOM 113 N LYS A 14 22.263 36.312 18.908 1.00 27.34 N ATOM 114 CA LYS A 14 22.119 36.770 20.294 1.00 29.57 C ATOM 115 C LYS A 14 20.614 37.079 20.408 1.00 29.89 C ATOM 116 O LYS A 14 20.045 37.964 19.757 1.00 29.85 O ATOM 117 CB LYS A 14 23.022 37.882 20.722 1.00 30.15 C ATOM 118 CG LYS A 14 22.826 38.293 22.201 1.00 32.07 C ATOM 119 CD LYS A 14 23.886 39.292 22.658 1.00 33.14 C ATOM 120 CE LYS A 14 25.171 38.599 23.093 1.00 34.34 C ATOM 121 NZ LYS A 14 26.025 39.416 24.014 1.00 34.83 N ATOM 122 N ILE A 15 19.994 36.244 21.220 1.00 31.26 N ATOM 123 CA ILE A 15 18.567 36.359 21.484 1.00 33.34 C ATOM 124 C ILE A 15 18.273 36.274 22.978 1.00 34.25 C ATOM 125 O ILE A 15 18.456 35.246 23.637 1.00 35.18 O ATOM 126 CB ILE A 15 17.727 35.261 20.720 1.00 32.75 C ATOM 127 CG1 ILE A 15 16.282 35.694 20.956 1.00 33.18 C ATOM 128 CG2 ILE A 15 18.093 33.858 21.235 1.00 32.63 C ATOM 129 CD1 ILE A 15 15.127 34.713 20.918 1.00 32.99 C ATOM 130 N GLY A 16 17.865 37.409 23.485 1.00 36.22 N ATOM 131 CA GLY A 16 17.474 37.557 24.900 1.00 38.05 C ATOM 132 C GLY A 16 18.617 37.147 25.821 1.00 39.33 C ATOM 133 O GLY A 16 18.475 36.345 26.757 1.00 39.33 O ATOM 134 N GLY A 17 19.735 37.806 25.492 1.00 39.78 N ATOM 135 CA GLY A 17 20.968 37.625 26.215 1.00 40.80 C ATOM 136 C GLY A 17 21.644 36.293 25.969 1.00 41.15 C ATOM 137 O GLY A 17 22.779 36.164 26.498 1.00 42.19 O ATOM 138 N GLN A 18 21.006 35.403 25.245 1.00 40.52 N ATOM 139 CA GLN A 18 21.591 34.080 24.961 1.00 39.85 C ATOM 140 C GLN A 18 22.227 34.107 23.582 1.00 38.55 C ATOM 141 O GLN A 18 21.678 34.727 22.667 1.00 38.54 O ATOM 142 CB GLN A 18 20.541 32.974 25.103 1.00 40.69 C ATOM 143 CG GLN A 18 19.621 33.425 26.233 1.00 41.88 C ATOM 144 CD GLN A 18 18.898 32.292 26.866 1.00 42.93 C ATOM 145 OE1 GLN A 18 18.419 31.368 26.197 1.00 43.74 O ATOM 146 NE2 GLN A 18 18.841 32.391 28.202 1.00 43.72 N ATOM 147 N LEU A 19 23.369 33.458 23.517 1.00 37.16 N ATOM 148 CA LEU A 19 24.147 33.356 22.254 1.00 35.95 C ATOM 149 C LEU A 19 23.807 31.971 21.692 1.00 34.32 C ATOM 150 O LEU A 19 23.963 31.001 22.449 1.00 34.28 O ATOM 151 CB LEU A 19 25.593 33.606 22.578 1.00 36.59 C ATOM 152 CG LEU A 19 26.111 35.019 22.438 1.00 37.46 C ATOM 153 CD1 LEU A 19 27.483 35.101 23.085 1.00 38.09 C ATOM 154 CD2 LEU A 19 26.223 35.360 20.955 1.00 37.90 C ATOM 155 N LYS A 20 23.320 31.938 20.468 1.00 32.38 N ATOM 156 CA LYS A 20 22.914 30.691 19.833 1.00 30.25 C ATOM 157 C LYS A 20 23.437 30.612 18.402 1.00 28.62 C ATOM 158 O LYS A 20 23.980 31.571 17.851 1.00 27.14 O ATOM 159 CB LYS A 20 21.423 30.434 19.760 1.00 30.87 C ATOM 160 CG LYS A 20 20.597 30.883 20.943 1.00 31.54 C ATOM 161 CD LYS A 20 19.297 30.083 21.062 1.00 32.10 C ATOM 162 CE LYS A 20 19.030 29.881 22.546 1.00 32.80 C ATOM 163 NZ LYS A 20 18.197 28.661 22.768 1.00 33.84 N ATOM 164 N GLU A 21 23.263 29.401 17.907 1.00 27.06 N ATOM 165 CA GLU A 21 23.701 29.067 16.562 1.00 26.86 C ATOM 166 C GLU A 21 22.431 28.860 15.721 1.00 23.95 C ATOM 167 O GLU A 21 21.587 28.110 16.225 1.00 23.73 O ATOM 168 CB GLU A 21 24.432 27.734 16.448 1.00 29.21 C ATOM 169 CG GLU A 21 25.880 27.657 16.910 1.00 31.59 C ATOM 170 CD GLU A 21 26.773 28.630 16.189 1.00 33.27 C ATOM 171 OE1 GLU A 21 27.008 28.534 14.989 1.00 34.73 O ATOM 172 OE2 GLU A 21 27.205 29.530 16.946 1.00 34.83 O ATOM 173 N ALA A 22 22.436 29.441 14.550 1.00 21.08 N ATOM 174 CA ALA A 22 21.222 29.190 13.723 1.00 18.26 C ATOM 175 C ALA A 22 21.629 29.165 12.273 1.00 17.34 C ATOM 176 O ALA A 22 22.654 29.714 11.891 1.00 17.30 O ATOM 177 CB ALA A 22 20.182 30.253 14.091 1.00 17.51 C ATOM 178 N LEU A 23 20.814 28.489 11.486 1.00 15.59 N ATOM 179 CA LEU A 23 20.835 28.282 10.073 1.00 13.92 C ATOM 180 C LEU A 23 20.188 29.436 9.309 1.00 12.68 C ATOM 181 O LEU A 23 19.027 29.829 9.601 1.00 14.33 O ATOM 182 CB LEU A 23 20.045 26.950 9.810 1.00 13.68 C ATOM 183 CG LEU A 23 20.177 26.437 8.398 1.00 13.67 C ATOM 184 CD1 LEU A 23 21.646 26.039 8.241 1.00 14.76 C ATOM 185 CD2 LEU A 23 19.306 25.184 8.210 1.00 14.27 C ATOM 186 N LEU A 24 20.856 29.999 8.354 1.00 11.23 N ATOM 187 CA LEU A 24 20.284 31.051 7.500 1.00 11.69 C ATOM 188 C LEU A 24 19.538 30.205 6.421 1.00 11.35 C ATOM 189 O LEU A 24 20.177 29.718 5.514 1.00 12.63 O ATOM 190 CB LEU A 24 21.326 31.972 6.913 1.00 10.72 C ATOM 191 CG LEU A 24 22.279 32.685 7.929 1.00 10.37 C ATOM 192 CD1 LEU A 24 23.181 33.621 7.173 1.00 9.31 C ATOM 193 CD2 LEU A 24 21.388 33.423 8.915 1.00 8.95 C ATOM 194 N ASP A 25 18.253 30.133 6.560 1.00 10.98 N ATOM 195 CA ASP A 25 17.440 29.314 5.604 1.00 8.53 C ATOM 196 C ASP A 25 16.612 30.166 4.688 1.00 8.11 C ATOM 197 O ASP A 25 15.562 30.716 5.086 1.00 6.81 O ATOM 198 CB ASP A 25 16.643 28.411 6.584 1.00 9.11 C ATOM 199 CG ASP A 25 15.943 27.310 5.810 1.00 10.79 C ATOM 200 OD1 ASP A 25 15.233 26.517 6.479 1.00 12.24 O ATOM 201 OD2 ASP A 25 16.085 27.333 4.573 1.00 10.55 O ATOM 202 N THR A 26 16.912 30.237 3.397 1.00 7.23 N ATOM 203 CA THR A 26 16.178 30.995 2.416 1.00 6.11 C ATOM 204 C THR A 26 14.927 30.185 2.029 1.00 8.33 C ATOM 205 O THR A 26 14.038 30.802 1.328 1.00 8.76 O ATOM 206 CB THR A 26 17.046 31.296 1.101 1.00 6.11 C ATOM 207 OG1 THR A 26 17.429 29.986 0.669 1.00 4.91 O ATOM 208 CG2 THR A 26 18.221 32.235 1.393 1.00 4.90 C ATOM 209 N GLY A 27 14.856 28.988 2.587 1.00 7.27 N ATOM 210 CA GLY A 27 13.688 28.119 2.289 1.00 9.57 C ATOM 211 C GLY A 27 12.707 28.130 3.433 1.00 9.23 C ATOM 212 O GLY A 27 11.787 27.260 3.394 1.00 11.82 O ATOM 213 N ALA A 28 12.814 28.972 4.373 1.00 9.48 N ATOM 214 CA ALA A 28 11.968 29.134 5.550 1.00 10.91 C ATOM 215 C ALA A 28 11.246 30.496 5.468 1.00 12.49 C ATOM 216 O ALA A 28 11.938 31.535 5.464 1.00 12.63 O ATOM 217 CB ALA A 28 12.794 29.256 6.799 1.00 11.29 C ATOM 218 N ASP A 29 9.932 30.426 5.493 1.00 12.83 N ATOM 219 CA ASP A 29 9.261 31.774 5.451 1.00 13.20 C ATOM 220 C ASP A 29 9.520 32.544 6.764 1.00 14.95 C ATOM 221 O ASP A 29 9.432 33.786 6.722 1.00 13.87 O ATOM 222 CB ASP A 29 7.775 31.547 5.327 1.00 12.85 C ATOM 223 CG ASP A 29 7.323 30.882 4.088 1.00 14.05 C ATOM 224 OD1 ASP A 29 6.255 30.293 4.267 1.00 15.02 O ATOM 225 OD2 ASP A 29 8.012 30.955 3.055 1.00 13.17 O ATOM 226 N ASP A 30 9.596 31.762 7.842 1.00 15.74 N ATOM 227 CA ASP A 30 9.701 32.290 9.183 1.00 18.14 C ATOM 228 C ASP A 30 10.835 31.672 10.001 1.00 17.30 C ATOM 229 O ASP A 30 11.372 30.648 9.676 1.00 18.09 O ATOM 230 CB ASP A 30 8.385 32.065 10.007 1.00 19.67 C ATOM 231 CG ASP A 30 7.172 32.604 9.296 1.00 21.52 C ATOM 232 OD1 ASP A 30 7.146 33.849 8.957 1.00 22.81 O ATOM 233 OD2 ASP A 30 6.318 31.717 9.094 1.00 22.06 O ATOM 234 N THR A 31 11.199 32.465 11.005 1.00 16.67 N ATOM 235 CA THR A 31 12.298 32.063 11.920 1.00 15.56 C ATOM 236 C THR A 31 11.648 31.144 12.944 1.00 16.06 C ATOM 237 O THR A 31 10.620 31.480 13.565 1.00 15.68 O ATOM 238 CB THR A 31 12.896 33.375 12.523 1.00 14.85 C ATOM 239 OG1 THR A 31 13.396 34.062 11.340 1.00 14.67 O ATOM 240 CG2 THR A 31 13.939 33.206 13.632 1.00 14.90 C ATOM 241 N VAL A 32 12.304 29.993 13.133 1.00 16.03 N ATOM 242 CA VAL A 32 11.805 29.029 14.119 1.00 15.27 C ATOM 243 C VAL A 32 12.974 28.679 15.044 1.00 16.12 C ATOM 244 O VAL A 32 13.993 28.207 14.489 1.00 16.22 O ATOM 245 CB VAL A 32 11.280 27.739 13.447 1.00 15.73 C ATOM 246 CG1 VAL A 32 10.675 26.846 14.525 1.00 15.44 C ATOM 247 CG2 VAL A 32 10.441 27.985 12.261 1.00 15.05 C ATOM 248 N LEU A 33 12.768 28.928 16.306 1.00 16.25 N ATOM 249 CA LEU A 33 13.809 28.635 17.312 1.00 17.39 C ATOM 250 C LEU A 33 13.497 27.405 18.124 1.00 17.74 C ATOM 251 O LEU A 33 12.347 26.949 18.210 1.00 16.67 O ATOM 252 CB LEU A 33 13.899 29.926 18.153 1.00 18.28 C ATOM 253 CG LEU A 33 14.688 31.053 17.477 1.00 18.16 C ATOM 254 CD1 LEU A 33 15.313 31.854 18.624 1.00 18.33 C ATOM 255 CD2 LEU A 33 15.837 30.509 16.651 1.00 17.37 C ATOM 256 N GLU A 34 14.546 26.796 18.676 1.00 18.95 N ATOM 257 CA GLU A 34 14.268 25.576 19.490 1.00 20.17 C ATOM 258 C GLU A 34 13.627 26.085 20.782 1.00 20.65 C ATOM 259 O GLU A 34 13.859 27.258 21.122 1.00 17.69 O ATOM 260 CB GLU A 34 15.603 24.881 19.742 1.00 21.58 C ATOM 261 CG GLU A 34 16.195 24.214 18.443 1.00 23.61 C ATOM 262 CD GLU A 34 17.535 23.626 18.766 1.00 25.21 C ATOM 263 OE1 GLU A 34 17.894 23.582 19.939 1.00 26.57 O ATOM 264 OE2 GLU A 34 18.232 23.204 17.854 1.00 26.53 O ATOM 265 N GLU A 35 12.831 25.264 21.421 1.00 21.71 N ATOM 266 CA GLU A 35 12.126 25.524 22.655 1.00 24.32 C ATOM 267 C GLU A 35 12.816 26.402 23.681 1.00 24.95 C ATOM 268 O GLU A 35 13.893 26.065 24.162 1.00 25.78 O ATOM 269 CB GLU A 35 11.949 24.199 23.453 1.00 25.93 C ATOM 270 CG GLU A 35 10.616 24.086 24.154 1.00 27.79 C ATOM 271 CD GLU A 35 9.440 24.404 23.267 1.00 29.49 C ATOM 272 OE1 GLU A 35 8.721 25.381 23.418 1.00 30.08 O ATOM 273 OE2 GLU A 35 9.346 23.546 22.355 1.00 30.04 O ATOM 274 N MET A 36 12.175 27.467 24.072 1.00 25.31 N ATOM 275 CA MET A 36 12.663 28.435 25.016 1.00 27.06 C ATOM 276 C MET A 36 11.512 29.390 25.350 1.00 28.17 C ATOM 277 O MET A 36 10.564 29.605 24.578 1.00 27.54 O ATOM 278 CB MET A 36 13.840 29.260 24.423 1.00 27.54 C ATOM 279 CG MET A 36 13.348 30.196 23.369 1.00 27.84 C ATOM 280 SD MET A 36 14.755 31.141 22.671 1.00 29.46 S ATOM 281 CE MET A 36 15.424 31.910 24.125 1.00 29.05 C ATOM 282 N ASN A 37 11.740 29.961 26.508 1.00 29.93 N ATOM 283 CA ASN A 37 10.858 30.963 27.104 1.00 31.75 C ATOM 284 C ASN A 37 11.311 32.359 26.649 1.00 31.72 C ATOM 285 O ASN A 37 12.461 32.803 26.819 1.00 31.94 O ATOM 286 CB ASN A 37 10.854 30.860 28.644 1.00 33.85 C ATOM 287 CG ASN A 37 9.695 31.755 29.098 1.00 35.30 C ATOM 288 OD1 ASN A 37 9.937 32.716 29.847 1.00 36.50 O ATOM 289 ND2 ASN A 37 8.535 31.421 28.494 1.00 35.68 N ATOM 290 N LEU A 38 10.375 32.996 26.005 1.00 31.63 N ATOM 291 CA LEU A 38 10.479 34.332 25.463 1.00 31.98 C ATOM 292 C LEU A 38 9.315 35.056 26.164 1.00 32.92 C ATOM 293 O LEU A 38 8.240 34.465 26.282 1.00 34.03 O ATOM 294 CB LEU A 38 10.282 34.338 23.965 1.00 31.16 C ATOM 295 CG LEU A 38 11.447 34.110 23.051 1.00 30.58 C ATOM 296 CD1 LEU A 38 11.006 34.240 21.597 1.00 30.94 C ATOM 297 CD2 LEU A 38 12.485 35.188 23.396 1.00 30.77 C ATOM 298 N PRO A 39 9.573 36.268 26.521 1.00 33.79 N ATOM 299 CA PRO A 39 8.561 37.096 27.206 1.00 33.99 C ATOM 300 C PRO A 39 7.556 37.630 26.204 1.00 33.84 C ATOM 301 O PRO A 39 7.757 37.753 24.993 1.00 33.92 O ATOM 302 CB PRO A 39 9.407 38.177 27.871 1.00 34.32 C ATOM 303 CG PRO A 39 10.806 37.557 27.916 1.00 34.46 C ATOM 304 CD PRO A 39 10.873 36.971 26.456 1.00 34.11 C ATOM 305 N GLY A 40 6.408 37.970 26.772 1.00 33.85 N ATOM 306 CA GLY A 40 5.318 38.535 25.889 1.00 34.05 C ATOM 307 C GLY A 40 4.340 37.343 25.711 1.00 33.27 C ATOM 308 O GLY A 40 4.686 36.199 26.044 1.00 33.54 O ATOM 309 N ARG A 41 3.191 37.724 25.200 1.00 32.11 N ATOM 310 CA ARG A 41 2.136 36.716 24.968 1.00 31.32 C ATOM 311 C ARG A 41 2.433 36.052 23.634 1.00 30.40 C ATOM 312 O ARG A 41 3.173 36.617 22.789 1.00 29.63 O ATOM 313 CB ARG A 41 0.790 37.415 25.038 1.00 31.99 C ATOM 320 N TRP A 42 1.851 34.881 23.451 1.00 29.89 N ATOM 321 CA TRP A 42 2.050 34.133 22.196 1.00 29.16 C ATOM 322 C TRP A 42 0.764 33.505 21.697 1.00 28.78 C ATOM 323 O TRP A 42 -0.276 33.358 22.390 1.00 29.53 O ATOM 324 CB TRP A 42 3.174 33.113 22.367 1.00 30.16 C ATOM 325 CG TRP A 42 2.820 32.156 23.458 1.00 30.80 C ATOM 326 CD1 TRP A 42 3.148 32.244 24.771 1.00 31.00 C ATOM 327 CD2 TRP A 42 1.994 30.994 23.320 1.00 31.20 C ATOM 328 NE1 TRP A 42 2.596 31.192 25.458 1.00 31.28 N ATOM 329 CE2 TRP A 42 1.873 30.421 24.594 1.00 31.21 C ATOM 330 CE3 TRP A 42 1.320 30.420 22.248 1.00 31.58 C ATOM 331 CZ2 TRP A 42 1.139 29.268 24.817 1.00 31.43 C ATOM 332 CZ3 TRP A 42 0.596 29.261 22.471 1.00 31.97 C ATOM 333 CH2 TRP A 42 0.502 28.694 23.749 1.00 31.22 C ATOM 334 N LYS A 43 0.852 33.141 20.432 1.00 26.73 N ATOM 335 CA LYS A 43 -0.252 32.491 19.704 1.00 25.46 C ATOM 336 C LYS A 43 0.293 31.209 19.061 1.00 24.26 C ATOM 337 O LYS A 43 1.387 31.215 18.513 1.00 23.71 O ATOM 338 CB LYS A 43 -0.846 33.471 18.706 1.00 25.18 C ATOM 343 N PRO A 44 -0.504 30.161 19.131 1.00 23.69 N ATOM 344 CA PRO A 44 -0.173 28.865 18.548 1.00 22.30 C ATOM 345 C PRO A 44 -0.386 28.987 17.043 1.00 21.70 C ATOM 346 O PRO A 44 -1.291 29.612 16.492 1.00 22.06 O ATOM 347 CB PRO A 44 -1.154 27.891 19.187 1.00 22.67 C ATOM 348 CG PRO A 44 -2.350 28.706 19.587 1.00 22.69 C ATOM 349 CD PRO A 44 -1.842 30.116 19.773 1.00 23.91 C ATOM 350 N LYS A 45 0.467 28.313 16.364 1.00 20.15 1 N ATOM 351 CA LYS A 45 0.561 28.262 14.915 1.00 18.74 1 C ATOM 352 C LYS A 45 1.132 26.887 14.621 1.00 17.71 1 C ATOM 353 O LYS A 45 1.716 26.281 15.537 1.00 17.52 1 O ATOM 354 CB LYS A 45 1.617 29.306 14.471 1.00 18.96 1 C ATOM 355 CG LYS A 45 1.544 29.549 12.992 1.00 18.72 1 C ATOM 356 CD LYS A 45 2.543 30.574 12.490 1.00 20.05 1 C ATOM 357 CE LYS A 45 2.075 31.154 11.154 1.00 19.91 1 C ATOM 358 NZ 1LYS A 45 1.384 32.469 11.471 0.50 20.17 1 N ATOM 359 NZ 2LYS A 45 3.340 31.578 10.427 0.50 19.50 1 N ATOM 360 N MET A 46 0.886 26.476 13.434 1.00 18.14 N ATOM 361 CA MET A 46 1.338 25.238 12.847 1.00 18.68 C ATOM 362 C MET A 46 2.216 25.633 11.640 1.00 17.05 C ATOM 363 O MET A 46 1.721 26.404 10.804 1.00 15.77 O ATOM 364 CB MET A 46 0.153 24.373 12.316 1.00 20.79 C ATOM 365 CG MET A 46 -0.727 23.908 13.480 1.00 22.75 C ATOM 366 SD MET A 46 0.114 22.441 14.148 1.00 25.84 S ATOM 367 CE MET A 46 -0.455 21.215 12.936 1.00 25.26 C ATOM 368 N ILE A 47 3.397 25.011 11.602 1.00 16.08 N ATOM 369 CA ILE A 47 4.280 25.251 10.429 1.00 15.51 C ATOM 370 C ILE A 47 4.652 23.907 9.842 1.00 14.95 C ATOM 371 O ILE A 47 4.891 22.937 10.556 1.00 16.05 O ATOM 372 CB ILE A 47 5.563 26.077 10.784 1.00 15.23 C ATOM 373 CG1 ILE A 47 6.377 25.267 11.810 0.58 14.51 C ATOM 374 CG2 ILE A 47 5.166 27.506 11.220 0.58 15.19 C ATOM 375 CD1 ILE A 47 7.617 26.010 12.376 0.58 14.76 C ATOM 376 N GLY A 48 4.759 23.842 8.555 1.00 15.31 N ATOM 377 CA GLY A 48 5.051 22.587 7.866 1.00 15.20 C ATOM 378 C GLY A 48 6.350 22.578 7.150 1.00 15.08 C ATOM 379 O GLY A 48 7.037 23.583 7.040 1.00 15.21 O ATOM 380 N GLY A 49 6.614 21.385 6.661 1.00 16.23 N ATOM 381 CA GLY A 49 7.841 21.161 5.884 1.00 17.67 C ATOM 382 C GLY A 49 7.988 19.681 5.597 1.00 17.69 C ATOM 383 O GLY A 49 6.975 18.974 5.488 1.00 17.48 O ATOM 384 N ILE A 50 9.289 19.352 5.446 1.00 17.37 N ATOM 385 CA ILE A 50 9.560 17.928 5.178 1.00 18.18 C ATOM 386 C ILE A 50 9.239 17.189 6.471 1.00 17.70 C ATOM 387 O ILE A 50 9.666 17.620 7.586 1.00 16.29 O ATOM 388 CB ILE A 50 10.977 17.667 4.602 1.00 18.88 C ATOM 389 CG1 ILE A 50 10.918 18.082 3.089 1.00 19.28 C ATOM 390 CG2 ILE A 50 11.458 16.191 4.737 1.00 18.58 C ATOM 391 CD1 ILE A 50 12.128 17.635 2.250 1.00 20.12 C ATOM 392 N GLY A 51 8.375 16.183 6.285 1.00 17.62 N ATOM 393 CA GLY A 51 7.984 15.371 7.445 1.00 18.36 C ATOM 394 C GLY A 51 6.648 15.835 8.044 1.00 18.86 C ATOM 395 O GLY A 51 6.244 15.210 9.056 1.00 19.97 O ATOM 396 N GLY A 52 6.082 16.910 7.545 1.00 18.41 N ATOM 397 CA GLY A 52 4.768 17.350 8.081 1.00 17.63 C ATOM 398 C GLY A 52 4.799 18.606 8.901 1.00 17.21 C ATOM 399 O GLY A 52 5.643 19.459 8.710 1.00 17.77 O ATOM 400 N PHE A 53 3.857 18.777 9.803 1.00 17.06 N ATOM 401 CA PHE A 53 3.659 19.944 10.621 1.00 16.21 C ATOM 402 C PHE A 53 3.986 19.797 12.069 1.00 16.94 C ATOM 403 O PHE A 53 3.749 18.713 12.640 1.00 18.11 O ATOM 404 CB PHE A 53 2.147 20.375 10.434 1.00 15.36 C ATOM 405 CG PHE A 53 1.902 21.022 9.109 1.00 14.60 C ATOM 406 CD1 PHE A 53 1.916 22.419 9.030 1.00 14.82 C ATOM 407 CD2 PHE A 53 1.666 20.319 7.938 1.00 14.66 C ATOM 408 CE1 PHE A 53 1.753 23.132 7.876 1.00 14.27 C ATOM 409 CE2 PHE A 53 1.421 21.005 6.746 1.00 14.55 C ATOM 410 CZ PHE A 53 1.477 22.395 6.679 1.00 15.20 C ATOM 411 N ILE A 54 4.547 20.837 12.677 1.00 16.72 N ATOM 412 CA ILE A 54 4.823 20.962 14.088 1.00 15.86 C ATOM 413 C ILE A 54 3.996 22.223 14.569 1.00 15.61 C ATOM 414 O ILE A 54 3.656 23.077 13.762 1.00 14.25 O ATOM 415 CB ILE A 54 6.280 21.089 14.595 1.00 16.14 C ATOM 416 CG1 ILE A 54 7.002 22.293 13.930 1.00 16.67 C ATOM 417 CG2 ILE A 54 7.062 19.747 14.346 1.00 16.15 C ATOM 418 CD1 ILE A 54 8.451 22.497 14.497 1.00 14.90 C ATOM 419 N LYS A 55 3.630 22.198 15.804 1.00 15.82 1 N ATOM 420 CA LYS A 55 2.863 23.268 16.477 1.00 16.48 1 C ATOM 421 C LYS A 55 3.960 24.146 17.128 1.00 16.51 1 C ATOM 422 O LYS A 55 4.856 23.482 17.691 1.00 17.59 1 O ATOM 423 CB LYS A 55 2.048 22.696 17.651 1.00 17.18 1 C ATOM 424 CG LYS A 55 1.071 23.790 18.143 1.00 18.91 1 C ATOM 425 CD LYS A 55 0.128 23.336 19.245 1.00 20.87 1 C ATOM 426 CE LYS A 55 -0.256 24.559 20.121 1.00 21.44 1 C ATOM 427 NZ 1LYS A 55 -1.012 24.096 21.310 0.50 20.96 1 N ATOM 428 NZ 2LYS A 55 0.962 25.220 20.720 0.50 21.43 1 N ATOM 429 N VAL A 56 3.868 25.427 17.009 1.00 15.69 N ATOM 430 CA VAL A 56 4.892 26.333 17.570 1.00 17.12 C ATOM 431 C VAL A 56 4.123 27.490 18.257 1.00 17.53 C ATOM 432 O VAL A 56 2.929 27.646 17.975 1.00 18.11 O ATOM 433 CB VAL A 56 5.809 26.863 16.444 1.00 15.50 C ATOM 434 CG1 VAL A 56 6.738 25.911 15.766 1.00 14.44 C ATOM 435 CG2 VAL A 56 4.926 27.505 15.326 1.00 16.00 C ATOM 436 N ARG A 57 4.827 28.206 19.087 1.00 18.25 N ATOM 437 CA ARG A 57 4.231 29.416 19.741 1.00 19.95 C ATOM 438 C ARG A 57 4.812 30.605 18.969 1.00 20.13 C ATOM 439 O ARG A 57 6.046 30.636 18.785 1.00 19.68 O ATOM 440 CB ARG A 57 4.657 29.451 21.198 1.00 21.28 C ATOM 441 CG ARG A 57 4.380 28.197 21.953 1.00 23.47 C ATOM 442 CD ARG A 57 4.465 28.305 23.432 1.00 25.56 C ATOM 443 NE ARG A 57 5.715 28.932 23.880 1.00 27.80 N ATOM 444 CZ ARG A 57 6.812 28.137 24.096 1.00 28.43 C ATOM 445 NH1 ARG A 57 6.760 26.823 23.913 1.00 28.11 N ATOM 446 NH2 ARG A 57 7.904 28.751 24.544 1.00 28.58 N ATOM 447 N GLN A 58 3.988 31.488 18.478 1.00 19.56 N ATOM 448 CA GLN A 58 4.457 32.656 17.734 1.00 20.94 C ATOM 449 C GLN A 58 4.566 33.901 18.628 1.00 21.51 C ATOM 450 O GLN A 58 3.506 34.267 19.237 1.00 21.40 O ATOM 451 CB GLN A 58 3.336 32.996 16.697 1.00 21.47 C ATOM 452 CG GLN A 58 3.652 34.356 16.114 1.00 22.85 C ATOM 453 CD GLN A 58 2.444 34.781 15.294 1.00 24.11 C ATOM 454 OE1 GLN A 58 1.936 33.927 14.593 1.00 23.82 O ATOM 455 NE2 GLN A 58 2.127 36.073 15.528 1.00 24.80 N ATOM 456 N TYR A 59 5.706 34.528 18.646 1.00 21.12 N ATOM 457 CA TYR A 59 5.965 35.761 19.406 1.00 21.45 C ATOM 458 C TYR A 59 6.272 36.838 18.328 1.00 22.14 C ATOM 459 O TYR A 59 7.006 36.623 17.358 1.00 21.05 O ATOM 460 CB TYR A 59 7.090 35.695 20.419 1.00 21.51 C ATOM 461 CG TYR A 59 7.003 34.697 21.532 1.00 22.39 C ATOM 462 CD1 TYR A 59 7.190 33.339 21.273 1.00 23.04 C ATOM 463 CD2 TYR A 59 6.724 35.048 22.852 1.00 22.15 C ATOM 464 CE1 TYR A 59 7.180 32.354 22.249 1.00 23.25 C ATOM 465 CE2 TYR A 59 6.663 34.090 23.848 1.00 23.28 C ATOM 466 CZ TYR A 59 6.894 32.748 23.564 1.00 23.57 C ATOM 467 OH TYR A 59 6.842 31.812 24.565 1.00 24.25 O ATOM 468 N ASP A 60 5.654 37.983 18.566 1.00 22.88 1 N ATOM 469 CA ASP A 60 5.773 39.112 17.623 1.00 23.04 1 C ATOM 470 C ASP A 60 6.809 40.079 18.168 1.00 23.93 1 C ATOM 471 O ASP A 60 7.143 40.135 19.382 1.00 23.53 1 O ATOM 472 CB ASP A 60 4.408 39.636 17.234 1.00 23.85 1 C ATOM 473 CG ASP A 60 3.561 38.575 16.542 1.00 24.81 1 C ATOM 474 OD11ASP A 60 4.102 37.830 15.703 0.50 24.83 1 O ATOM 475 OD12ASP A 60 2.870 37.752 17.190 0.50 24.23 1 O ATOM 476 OD21ASP A 60 2.347 38.524 16.845 0.50 25.03 1 O ATOM 477 OD22ASP A 60 3.629 38.523 15.288 0.50 24.82 1 O ATOM 478 N GLN A 61 7.366 40.798 17.208 1.00 24.52 N ATOM 479 CA GLN A 61 8.380 41.814 17.473 1.00 25.25 C ATOM 480 C GLN A 61 9.396 41.408 18.516 1.00 25.33 C ATOM 481 O GLN A 61 9.547 42.097 19.555 1.00 26.21 O ATOM 482 CB GLN A 61 7.663 43.123 17.891 1.00 25.04 C ATOM 487 N ILE A 62 10.174 40.390 18.234 1.00 24.79 N ATOM 488 CA ILE A 62 11.290 39.938 19.069 1.00 24.35 C ATOM 489 C ILE A 62 12.529 40.568 18.401 1.00 25.53 C ATOM 490 O ILE A 62 12.522 40.624 17.164 1.00 24.83 O ATOM 491 CB ILE A 62 11.436 38.392 19.094 1.00 23.90 C ATOM 492 CG1 ILE A 62 10.111 37.754 19.605 1.00 23.49 C ATOM 493 CG2 ILE A 62 12.656 37.897 19.907 1.00 24.00 C ATOM 494 CD1 ILE A 62 9.775 38.162 21.061 1.00 23.66 C ATOM 495 N LEU A 63 13.509 40.932 19.213 1.00 26.46 N ATOM 496 CA LEU A 63 14.757 41.514 18.644 1.00 27.64 C ATOM 497 C LEU A 63 15.820 40.418 18.616 1.00 27.70 C ATOM 498 O LEU A 63 15.940 39.679 19.603 1.00 28.48 O ATOM 499 CB LEU A 63 15.127 42.767 19.422 1.00 28.06 C ATOM 500 CG LEU A 63 16.594 43.258 19.299 1.00 28.84 C ATOM 501 CD1 LEU A 63 16.821 44.055 18.046 1.00 28.94 C ATOM 502 CD2 LEU A 63 16.911 44.081 20.553 1.00 28.74 C ATOM 503 N ILE A 64 16.476 40.236 17.519 1.00 28.25 N ATOM 504 CA ILE A 64 17.535 39.224 17.355 1.00 29.07 C ATOM 505 C ILE A 64 18.682 39.991 16.663 1.00 28.92 C ATOM 506 O ILE A 64 18.378 40.871 15.855 1.00 28.74 O ATOM 507 CB ILE A 64 17.147 37.976 16.501 1.00 29.99 C ATOM 508 CG1 ILE A 64 16.009 37.142 17.171 1.00 30.07 C ATOM 509 CG2 ILE A 64 18.327 37.006 16.185 1.00 29.52 C ATOM 510 CD1 ILE A 64 16.136 35.637 16.689 1.00 30.99 C ATOM 511 N GLU A 65 19.870 39.613 17.048 1.00 29.52 1 N ATOM 512 CA GLU A 65 21.051 40.198 16.396 1.00 30.85 1 C ATOM 513 C GLU A 65 21.634 39.023 15.606 1.00 31.11 1 C ATOM 514 O GLU A 65 22.010 38.060 16.274 1.00 31.04 1 O ATOM 515 CB GLU A 65 22.136 40.643 17.356 1.00 31.48 1 C ATOM 516 CG GLU A 65 21.577 41.412 18.556 1.00 32.98 1 C ATOM 517 CD GLU A 65 22.600 42.252 19.267 1.00 33.87 1 C ATOM 518 OE11GLU A 65 23.635 42.612 18.714 0.50 34.01 1 O ATOM 519 OE12GLU A 65 22.248 43.334 19.761 0.50 34.21 1 O ATOM 520 OE21GLU A 65 22.289 42.495 20.458 0.50 34.29 1 O ATOM 521 OE22GLU A 65 23.736 41.743 19.294 0.50 33.46 1 O ATOM 522 N ILE A 66 21.635 39.172 14.309 1.00 32.12 N ATOM 523 CA ILE A 66 22.213 38.125 13.461 1.00 33.09 C ATOM 524 C ILE A 66 23.566 38.609 12.974 1.00 34.70 C ATOM 525 O ILE A 66 23.662 39.531 12.131 1.00 34.48 O ATOM 526 CB ILE A 66 21.222 37.773 12.318 1.00 32.75 C ATOM 527 CG1 ILE A 66 19.881 37.306 12.931 1.00 32.41 C ATOM 528 CG2 ILE A 66 21.796 36.757 11.289 1.00 32.87 C ATOM 529 CD1 ILE A 66 18.750 38.355 12.759 1.00 32.51 C ATOM 530 N CYS A 67 24.610 37.956 13.518 1.00 36.68 N ATOM 531 CA CYS A 67 25.956 38.362 13.059 1.00 38.17 C ATOM 532 C CYS A 67 26.146 39.856 13.300 1.00 38.24 C ATOM 533 O CYS A 67 26.629 40.573 12.380 1.00 38.46 O ATOM 534 CB CYS A 67 25.989 38.139 11.530 1.00 39.41 C ATOM 535 SG CYS A 67 26.693 36.561 11.068 1.00 42.91 S ATOM 536 N GLY A 68 25.750 40.298 14.488 1.00 37.96 N ATOM 537 CA GLY A 68 25.925 41.684 14.855 1.00 37.56 C ATOM 538 C GLY A 68 24.822 42.611 14.454 1.00 37.54 C ATOM 539 O GLY A 68 24.634 43.581 15.226 1.00 38.20 O ATOM 540 N HIS A 69 24.117 42.349 13.366 1.00 37.50 N ATOM 541 CA HIS A 69 23.010 43.242 12.972 1.00 37.07 C ATOM 542 C HIS A 69 21.717 42.904 13.707 1.00 36.60 C ATOM 543 O HIS A 69 21.386 41.733 13.901 1.00 37.04 O ATOM 544 CB HIS A 69 22.661 43.274 11.481 1.00 37.61 C ATOM 545 CG HIS A 69 23.858 43.053 10.618 1.00 38.19 C ATOM 546 ND1 HIS A 69 24.819 42.127 10.896 1.00 38.39 N ATOM 547 CD2 HIS A 69 24.209 43.648 9.451 1.00 38.48 C ATOM 548 CE1 HIS A 69 25.736 42.163 9.934 1.00 38.85 C ATOM 549 NE2 HIS A 69 25.395 43.082 9.056 1.00 38.73 N ATOM 550 N LYS A 70 20.986 43.973 14.016 1.00 35.65 N ATOM 551 CA LYS A 70 19.706 43.879 14.709 1.00 34.21 C ATOM 552 C LYS A 70 18.566 43.762 13.710 1.00 32.44 C ATOM 553 O LYS A 70 18.528 44.296 12.590 1.00 31.97 O ATOM 554 CB LYS A 70 19.506 45.007 15.712 1.00 35.52 C ATOM 555 CG LYS A 70 20.549 44.941 16.826 1.00 36.50 C ATOM 556 CD LYS A 70 20.291 46.034 17.870 1.00 37.60 C ATOM 557 CE LYS A 70 21.413 46.176 18.886 1.00 37.90 C ATOM 558 NZ LYS A 70 22.506 47.064 18.408 1.00 37.72 N ATOM 559 N ALA A 71 17.631 42.924 14.148 1.00 29.88 N ATOM 560 CA ALA A 71 16.433 42.630 13.359 1.00 27.38 C ATOM 561 C ALA A 71 15.252 42.431 14.299 1.00 25.84 C ATOM 562 O ALA A 71 15.399 41.854 15.404 1.00 26.35 O ATOM 563 CB ALA A 71 16.756 41.447 12.463 1.00 26.59 C ATOM 564 N ILE A 72 14.085 42.922 13.900 1.00 23.05 N ATOM 565 CA ILE A 72 12.865 42.730 14.707 1.00 21.58 C ATOM 566 C ILE A 72 11.927 41.910 13.801 1.00 19.40 C ATOM 567 O ILE A 72 11.829 42.256 12.600 1.00 18.43 O ATOM 568 CB ILE A 72 12.197 44.026 15.230 1.00 21.40 C ATOM 569 CG1 ILE A 72 13.196 45.069 15.678 1.00 21.07 C ATOM 570 CG2 ILE A 72 11.278 43.719 16.437 1.00 21.73 C ATOM 572 N GLY A 73 11.224 40.980 14.434 1.00 18.42 N ATOM 573 CA GLY A 73 10.281 40.156 13.675 1.00 17.73 C ATOM 574 C GLY A 73 9.586 39.106 14.509 1.00 17.21 C ATOM 575 O GLY A 73 9.753 39.063 15.723 1.00 18.51 O ATOM 576 N THR A 74 8.779 38.306 13.828 1.00 17.53 N ATOM 577 CA THR A 74 8.072 37.183 14.441 1.00 17.76 C ATOM 578 C THR A 74 9.126 36.085 14.619 1.00 18.09 C ATOM 579 O THR A 74 10.000 35.896 13.766 1.00 18.12 O ATOM 580 CB THR A 74 6.852 36.621 13.619 1.00 18.64 C ATOM 581 OG1 THR A 74 5.847 37.672 13.704 1.00 18.99 O ATOM 582 CG2 THR A 74 6.251 35.291 14.064 1.00 17.64 C ATOM 583 N VAL A 75 8.922 35.381 15.714 1.00 17.70 N ATOM 584 CA VAL A 75 9.871 34.310 16.095 1.00 17.07 C ATOM 585 C VAL A 75 8.964 33.185 16.540 1.00 17.08 C ATOM 586 O VAL A 75 8.045 33.524 17.295 1.00 17.87 O ATOM 587 CB VAL A 75 10.748 35.008 17.141 1.00 17.80 C ATOM 588 CG1 VAL A 75 11.207 34.058 18.214 1.00 18.63 C ATOM 589 CG2 VAL A 75 11.910 35.759 16.480 1.00 17.67 C ATOM 590 N LEU A 76 9.053 32.029 15.966 1.00 16.07 N ATOM 591 CA LEU A 76 8.234 30.857 16.343 1.00 15.28 C ATOM 592 C LEU A 76 9.194 30.029 17.193 1.00 14.76 C ATOM 593 O LEU A 76 10.409 30.049 16.899 1.00 15.49 O ATOM 594 CB LEU A 76 7.813 30.140 15.086 1.00 15.26 C ATOM 595 CG LEU A 76 7.273 30.943 13.934 1.00 15.36 C ATOM 596 CD1 LEU A 76 6.870 29.969 12.801 1.00 15.76 C ATOM 597 CD2 LEU A 76 6.013 31.671 14.391 1.00 13.31 C ATOM 598 N VAL A 77 8.697 29.331 18.155 1.00 14.11 N ATOM 599 CA VAL A 77 9.487 28.475 19.069 1.00 13.98 C ATOM 600 C VAL A 77 8.731 27.139 19.112 1.00 14.47 C ATOM 601 O VAL A 77 7.482 27.137 19.257 1.00 13.25 O ATOM 602 CB VAL A 77 9.544 29.155 20.477 1.00 13.82 C ATOM 603 CG1 VAL A 77 10.125 28.211 21.515 1.00 12.58 C ATOM 604 CG2 VAL A 77 10.255 30.473 20.346 1.00 12.85 C ATOM 605 N GLY A 78 9.508 26.071 18.919 1.00 15.74 N ATOM 606 CA GLY A 78 8.826 24.747 18.832 1.00 15.22 C ATOM 607 C GLY A 78 9.860 23.651 18.762 1.00 15.91 C ATOM 608 O GLY A 78 11.063 23.966 18.805 1.00 15.40 O ATOM 609 N PRO A 79 9.379 22.425 18.600 1.00 16.31 N ATOM 610 CA PRO A 79 10.284 21.266 18.571 1.00 16.40 C ATOM 611 C PRO A 79 11.057 21.153 17.304 1.00 16.98 C ATOM 612 O PRO A 79 11.019 20.063 16.661 1.00 17.81 O ATOM 613 CB PRO A 79 9.364 20.080 18.874 1.00 16.17 C ATOM 614 CG PRO A 79 7.998 20.515 18.365 1.00 16.46 C ATOM 615 CD PRO A 79 7.960 22.043 18.533 1.00 16.29 C ATOM 616 N THR A 80 11.801 22.172 16.939 1.00 18.08 N ATOM 617 CA THR A 80 12.617 22.212 15.726 1.00 17.83 C ATOM 618 C THR A 80 14.006 21.620 16.006 1.00 19.43 C ATOM 619 O THR A 80 14.625 21.928 17.015 1.00 19.31 O ATOM 620 CB THR A 80 12.754 23.716 15.222 1.00 17.38 C ATOM 621 OG1 THR A 80 13.713 23.690 14.103 1.00 16.00 O ATOM 622 CG2 THR A 80 13.196 24.672 16.299 1.00 16.43 C ATOM 623 N PRO A 81 14.498 20.824 15.056 1.00 20.69 N ATOM 624 CA PRO A 81 15.775 20.159 15.164 1.00 21.19 C ATOM 625 C PRO A 81 16.922 21.144 15.183 1.00 21.69 C ATOM 626 O PRO A 81 17.980 20.803 15.754 1.00 23.67 O ATOM 627 CB PRO A 81 15.811 19.219 13.929 1.00 21.78 C ATOM 628 CG PRO A 81 14.931 19.949 12.941 1.00 21.29 C ATOM 629 CD PRO A 81 13.765 20.408 13.821 1.00 20.92 C ATOM 630 N VAL A 82 16.742 22.307 14.619 1.00 21.57 N ATOM 631 CA VAL A 82 17.847 23.315 14.599 1.00 21.27 C ATOM 632 C VAL A 82 17.217 24.706 14.647 1.00 20.29 C ATOM 633 O VAL A 82 16.029 24.794 14.251 1.00 20.63 O ATOM 634 CB VAL A 82 18.675 23.027 13.341 1.00 21.59 C ATOM 635 CG1 VAL A 82 17.868 22.982 12.048 1.00 21.38 C ATOM 636 CG2 VAL A 82 19.757 24.094 13.143 1.00 22.54 C ATOM 637 N ASN A 83 17.961 25.678 15.091 1.00 18.84 N ATOM 638 CA ASN A 83 17.457 27.057 15.086 1.00 18.89 C ATOM 639 C ASN A 83 17.521 27.486 13.606 1.00 17.50 C ATOM 640 O ASN A 83 18.507 27.222 12.911 1.00 18.18 O ATOM 641 CB ASN A 83 18.146 28.021 16.032 1.00 18.62 C ATOM 642 CG ASN A 83 18.114 27.501 17.474 1.00 19.09 C ATOM 643 OD1 ASN A 83 17.020 27.126 17.923 1.00 19.30 O ATOM 644 ND2 ASN A 83 19.273 27.484 18.132 1.00 18.32 N ATOM 645 N ILE A 84 16.430 28.169 13.202 1.00 17.49 N ATOM 646 CA ILE A 84 16.429 28.575 11.787 1.00 16.90 C ATOM 647 C ILE A 84 16.055 30.033 11.631 1.00 15.09 C ATOM 648 O ILE A 84 14.993 30.414 12.094 1.00 15.76 O ATOM 649 CB ILE A 84 15.490 27.622 10.967 1.00 18.16 C ATOM 650 CG1 ILE A 84 16.154 26.275 10.583 1.00 18.58 C ATOM 651 CG2 ILE A 84 15.012 28.298 9.641 1.00 18.19 C ATOM 652 CD1 ILE A 84 15.084 25.137 10.823 1.00 21.14 C ATOM 653 N ILE A 85 16.891 30.758 10.918 1.00 14.37 N ATOM 654 CA ILE A 85 16.625 32.153 10.586 1.00 13.07 C ATOM 655 C ILE A 85 15.915 32.128 9.207 1.00 12.74 C ATOM 656 O ILE A 85 16.670 31.851 8.299 1.00 12.12 O ATOM 657 CB ILE A 85 17.804 33.151 10.521 1.00 11.59 C ATOM 658 CG1 ILE A 85 18.669 33.018 11.783 1.00 12.38 C ATOM 659 CG2 ILE A 85 17.250 34.603 10.300 1.00 11.07 C ATOM 660 CD1 ILE A 85 18.108 33.320 13.158 1.00 11.86 C ATOM 661 N GLY A 86 14.665 32.590 9.211 1.00 12.31 N ATOM 662 CA GLY A 86 13.908 32.611 7.947 1.00 12.89 C ATOM 663 C GLY A 86 13.887 33.979 7.273 1.00 13.14 C ATOM 664 O GLY A 86 14.493 34.968 7.754 1.00 12.59 O ATOM 665 N ARG A 87 13.214 33.996 6.147 1.00 12.60 N ATOM 666 CA ARG A 87 13.090 35.152 5.233 1.00 12.19 C ATOM 667 C ARG A 87 12.685 36.437 5.919 1.00 13.78 C ATOM 668 O ARG A 87 13.239 37.530 5.643 1.00 14.60 O ATOM 669 CB ARG A 87 12.165 34.801 4.058 1.00 11.07 C ATOM 670 CG ARG A 87 12.845 33.790 3.066 1.00 9.98 C ATOM 671 CD ARG A 87 12.079 33.857 1.753 1.00 8.59 C ATOM 672 NE ARG A 87 10.695 33.464 1.981 1.00 8.93 N ATOM 673 CZ ARG A 87 9.672 34.285 2.136 1.00 9.95 C ATOM 674 NH1 ARG A 87 8.469 33.825 2.517 1.00 10.84 N ATOM 675 NH2 ARG A 87 9.826 35.593 2.001 1.00 11.30 N ATOM 676 N ASN A 88 11.802 36.345 6.865 1.00 14.36 N ATOM 677 CA ASN A 88 11.249 37.435 7.675 1.00 13.53 C ATOM 678 C ASN A 88 12.316 38.279 8.351 1.00 13.71 C ATOM 679 O ASN A 88 12.018 39.489 8.581 1.00 13.96 O ATOM 680 CB ASN A 88 10.191 36.833 8.609 1.00 12.46 C ATOM 681 CG ASN A 88 10.640 36.329 9.948 1.00 13.28 C ATOM 682 OD1 ASN A 88 11.404 35.342 10.060 1.00 14.20 O ATOM 683 ND2 ASN A 88 10.246 36.937 11.085 1.00 13.18 N ATOM 684 N LEU A 89 13.431 37.736 8.804 1.00 12.63 N ATOM 685 CA LEU A 89 14.550 38.372 9.439 1.00 12.09 C ATOM 686 C LEU A 89 15.707 38.529 8.485 1.00 12.93 C ATOM 687 O LEU A 89 16.437 39.558 8.631 1.00 14.12 O ATOM 688 CB LEU A 89 15.016 37.636 10.736 1.00 11.87 C ATOM 689 CG LEU A 89 13.937 37.636 11.826 1.00 11.46 C ATOM 690 CD1 LEU A 89 14.392 36.775 13.000 1.00 12.65 C ATOM 691 CD2 LEU A 89 13.726 39.070 12.233 1.00 11.83 C ATOM 692 N LEU A 90 15.858 37.640 7.523 1.00 13.26 N ATOM 693 CA LEU A 90 16.951 37.736 6.539 1.00 13.98 C ATOM 694 C LEU A 90 16.853 39.038 5.741 1.00 14.35 C ATOM 695 O LEU A 90 17.849 39.695 5.454 1.00 14.29 O ATOM 696 CB LEU A 90 16.956 36.494 5.632 1.00 13.80 C ATOM 697 CG LEU A 90 17.363 35.179 6.261 1.00 13.41 C ATOM 698 CD1 LEU A 90 17.377 34.046 5.256 1.00 12.77 C ATOM 699 CD2 LEU A 90 18.776 35.284 6.819 1.00 14.02 C ATOM 700 N THR A 91 15.642 39.359 5.350 1.00 14.79 N ATOM 701 CA THR A 91 15.383 40.593 4.616 1.00 15.00 C ATOM 702 C THR A 91 15.876 41.799 5.437 1.00 15.79 C ATOM 703 O THR A 91 16.424 42.710 4.859 1.00 15.74 O ATOM 704 CB THR A 91 13.869 40.751 4.323 1.00 14.45 C ATOM 705 OG1 THR A 91 13.236 40.737 5.626 1.00 14.17 O ATOM 706 CG2 THR A 91 13.311 39.798 3.275 1.00 14.30 C ATOM 707 N GLN A 92 15.633 41.715 6.739 1.00 16.49 N ATOM 708 CA GLN A 92 15.952 42.771 7.692 1.00 16.68 C ATOM 709 C GLN A 92 17.393 43.177 7.774 1.00 16.85 C ATOM 710 O GLN A 92 17.710 44.345 8.116 1.00 14.85 O ATOM 711 CB GLN A 92 15.244 42.572 9.023 1.00 17.18 C ATOM 712 CG GLN A 92 13.750 42.564 9.004 1.00 17.04 C ATOM 713 CD GLN A 92 13.041 43.741 8.353 1.00 16.99 C ATOM 714 OE1 GLN A 92 12.552 43.716 7.200 1.00 16.12 O ATOM 715 NE2 GLN A 92 12.991 44.833 9.131 1.00 14.92 N ATOM 716 N ILE A 93 18.294 42.226 7.572 1.00 17.81 N ATOM 717 CA ILE A 93 19.718 42.404 7.594 1.00 17.96 C ATOM 718 C ILE A 93 20.199 42.656 6.156 1.00 17.03 C ATOM 719 O ILE A 93 21.394 42.854 6.046 1.00 18.32 O ATOM 720 CB ILE A 93 20.527 41.226 8.226 1.00 18.83 C ATOM 721 CG1 ILE A 93 20.356 39.920 7.406 1.00 18.95 C ATOM 722 CG2 ILE A 93 20.156 40.967 9.701 1.00 19.28 C ATOM 723 CD1 ILE A 93 21.016 38.696 8.159 1.00 18.85 C ATOM 724 N GLY A 94 19.384 42.626 5.130 1.00 16.71 N ATOM 725 CA GLY A 94 19.906 42.920 3.781 1.00 16.64 C ATOM 726 C GLY A 94 20.484 41.676 3.111 1.00 17.66 C ATOM 727 O GLY A 94 21.274 41.697 2.155 1.00 16.82 O ATOM 728 N CYS A 95 19.993 40.498 3.579 1.00 17.17 1 N ATOM 729 CA CYS A 95 20.463 39.289 2.946 1.00 16.18 1 C ATOM 730 C CYS A 95 19.955 39.081 1.532 1.00 16.37 1 C ATOM 731 O CYS A 95 18.715 39.214 1.337 1.00 17.18 1 O ATOM 732 CB CYS A 95 20.018 38.072 3.771 1.00 15.35 1 C ATOM 733 SG 1CYS A 95 21.054 36.638 3.403 0.50 10.39 1 S ATOM 734 SG 2CYS A 95 21.301 37.595 4.938 0.50 19.65 1 S ATOM 735 N THR A 96 20.845 38.701 0.636 1.00 16.30 N ATOM 736 CA THR A 96 20.506 38.362 -0.735 1.00 16.61 C ATOM 737 C THR A 96 21.208 37.037 -1.122 1.00 16.83 C ATOM 738 O THR A 96 22.160 36.561 -0.453 1.00 16.26 O ATOM 739 CB THR A 96 20.755 39.458 -1.858 1.00 17.13 C ATOM 740 OG1 THR A 96 22.170 39.633 -1.923 1.00 16.85 O ATOM 741 CG2 THR A 96 20.075 40.798 -1.716 1.00 17.20 C ATOM 742 N LEU A 97 20.738 36.469 -2.193 1.00 17.14 1 N ATOM 743 CA LEU A 97 21.255 35.231 -2.813 1.00 17.60 1 C ATOM 744 C LEU A 97 21.819 35.730 -4.161 1.00 19.21 1 C ATOM 745 O LEU A 97 21.096 36.476 -4.853 1.00 18.83 1 O ATOM 746 CB LEU A 97 20.107 34.266 -2.978 1.00 17.37 1 C ATOM 747 CG 1LEU A 97 20.234 32.781 -2.846 0.50 17.44 1 C ATOM 748 CG 2LEU A 97 19.442 33.593 -1.824 0.50 16.07 1 C ATOM 749 CD11LEU A 97 20.871 32.351 -1.527 0.50 16.67 1 C ATOM 750 CD12LEU A 97 18.164 32.917 -2.303 0.50 16.28 1 C ATOM 751 CD21LEU A 97 18.813 32.182 -2.935 0.50 17.37 1 C ATOM 752 CD22LEU A 97 20.456 32.565 -1.272 0.50 15.85 1 C ATOM 753 N ASN A 98 23.070 35.413 -4.453 1.00 19.55 1 N ATOM 754 CA ASN A 98 23.596 35.908 -5.720 1.00 22.38 1 C ATOM 755 C ASN A 98 24.252 34.754 -6.509 1.00 22.89 1 C ATOM 756 O ASN A 98 24.828 33.870 -5.862 1.00 23.46 1 O ATOM 757 CB ASN A 98 24.569 37.075 -5.476 1.00 22.36 1 C ATOM 758 CG ASN A 98 24.093 38.200 -4.607 1.00 22.66 1 C ATOM 759 OD11ASN A 98 23.846 38.042 -3.403 0.50 22.83 1 O ATOM 760 OD12ASN A 98 23.329 39.081 -5.048 0.50 22.49 1 O ATOM 761 ND21ASN A 98 24.008 39.411 -5.198 0.50 22.78 1 N ATOM 762 ND22ASN A 98 24.511 38.229 -3.338 0.50 22.51 1 N ATOM 763 N PHE A 99 24.154 34.855 -7.809 1.00 23.63 N ATOM 764 CA PHE A 99 24.853 33.899 -8.704 1.00 25.22 C ATOM 765 C PHE A 99 24.847 34.401 -10.156 1.00 26.19 C ATOM 766 O PHE A 99 25.466 33.710 -11.016 1.00 27.66 O ATOM 767 CB PHE A 99 24.367 32.477 -8.571 1.00 24.13 C ATOM 768 CG PHE A 99 22.940 32.349 -8.972 1.00 24.41 C ATOM 769 CD1 PHE A 99 22.578 32.079 -10.293 1.00 23.93 C ATOM 770 CD2 PHE A 99 21.946 32.555 -8.015 1.00 24.50 C ATOM 771 CE1 PHE A 99 21.259 31.958 -10.659 1.00 24.18 C ATOM 772 CE2 PHE A 99 20.595 32.456 -8.376 1.00 24.44 C ATOM 773 CZ PHE A 99 20.258 32.160 -9.697 1.00 24.41 C ATOM 774 OXT PHE A 99 24.245 35.433 -10.475 1.00 27.41 O ATOM 776 N PRO B 201 22.320 36.825 -11.115 1.00 29.93 N ATOM 777 CA PRO B 201 21.291 37.750 -10.621 1.00 29.61 C ATOM 778 C PRO B 201 21.462 37.833 -9.111 1.00 28.86 C ATOM 779 O PRO B 201 22.205 37.010 -8.546 1.00 28.72 O ATOM 780 CB PRO B 201 19.963 37.069 -10.977 1.00 30.19 C ATOM 781 CG PRO B 201 20.302 35.583 -10.936 1.00 30.20 C ATOM 782 CD PRO B 201 21.681 35.562 -11.613 1.00 30.16 C ATOM 783 N GLN B 202 20.792 38.802 -8.540 1.00 28.10 N ATOM 784 CA GLN B 202 20.862 38.982 -7.067 1.00 27.32 C ATOM 785 C GLN B 202 19.400 38.809 -6.641 1.00 26.22 C ATOM 786 O GLN B 202 18.587 39.513 -7.229 1.00 26.63 O ATOM 787 CB GLN B 202 21.525 40.238 -6.645 1.00 28.27 C ATOM 788 CG GLN B 202 20.966 40.871 -5.400 1.00 30.16 C ATOM 789 CD GLN B 202 21.878 41.939 -4.842 1.00 31.84 C ATOM 790 OE1 GLN B 202 21.391 42.830 -4.140 1.00 33.03 O ATOM 791 NE2 GLN B 202 23.183 41.824 -5.142 1.00 32.25 N ATOM 792 N ILE B 203 19.137 37.885 -5.755 1.00 24.40 N ATOM 793 CA ILE B 203 17.737 37.596 -5.313 1.00 23.03 C ATOM 794 C ILE B 203 17.419 38.066 -3.906 1.00 21.89 C ATOM 795 O ILE B 203 18.084 37.626 -2.939 1.00 21.85 O ATOM 796 CB ILE B 203 17.551 36.037 -5.505 1.00 22.84 C ATOM 797 CG1 ILE B 203 18.002 35.739 -6.964 1.00 23.48 C ATOM 798 CG2 ILE B 203 16.159 35.498 -5.204 1.00 22.08 C ATOM 799 CD1 ILE B 203 17.850 34.295 -7.414 1.00 22.95 C ATOM 800 N THR B 204 16.396 38.900 -3.752 1.00 20.13 N ATOM 801 CA THR B 204 16.034 39.393 -2.396 1.00 19.14 C ATOM 802 C THR B 204 15.115 38.389 -1.744 1.00 17.57 C ATOM 803 O THR B 204 14.603 37.511 -2.471 1.00 17.37 O ATOM 804 CB THR B 204 15.536 40.877 -2.463 1.00 20.82 C ATOM 805 OG1 THR B 204 14.332 40.941 -3.297 1.00 20.04 O ATOM 806 CG2 THR B 204 16.628 41.867 -2.921 1.00 21.68 C ATOM 807 N LEU B 205 14.835 38.514 -0.466 1.00 16.00 N ATOM 808 CA LEU B 205 14.010 37.486 0.217 1.00 14.43 C ATOM 809 C LEU B 205 12.647 37.962 0.665 1.00 14.04 C ATOM 810 O LEU B 205 11.961 37.329 1.520 1.00 13.29 O ATOM 811 CB LEU B 205 14.949 36.877 1.274 1.00 13.36 C ATOM 812 CG LEU B 205 16.253 36.219 0.724 1.00 13.75 C ATOM 813 CD1 LEU B 205 17.185 35.832 1.832 1.00 12.82 C ATOM 814 CD2 LEU B 205 15.822 34.972 -0.072 1.00 13.20 C ATOM 815 N TRP B 206 12.111 38.971 0.032 1.00 14.10 N ATOM 816 CA TRP B 206 10.807 39.547 0.342 1.00 14.92 C ATOM 817 C TRP B 206 9.762 38.516 -0.038 1.00 15.89 C ATOM 818 O TRP B 206 8.754 38.416 0.720 1.00 17.77 O ATOM 819 CB TRP B 206 10.523 40.943 -0.216 1.00 14.22 C ATOM 820 CG TRP B 206 11.561 41.900 0.314 1.00 12.89 C ATOM 821 CD1 TRP B 206 12.682 42.258 -0.409 1.00 11.66 C ATOM 822 CD2 TRP B 206 11.649 42.520 1.587 1.00 11.31 C ATOM 823 NE1 TRP B 206 13.443 43.125 0.355 1.00 11.48 N ATOM 824 CE2 TRP B 206 12.813 43.308 1.574 1.00 10.50 C ATOM 825 CE3 TRP B 206 10.831 42.561 2.698 1.00 12.24 C ATOM 826 CZ2 TRP B 206 13.237 44.046 2.668 1.00 11.72 C ATOM 827 CZ3 TRP B 206 11.228 43.316 3.815 1.00 11.02 C ATOM 828 CH2 TRP B 206 12.376 44.042 3.802 1.00 10.93 C ATOM 829 N GLN B 207 10.078 37.767 -1.061 1.00 15.68 N ATOM 830 CA GLN B 207 9.150 36.718 -1.554 1.00 16.07 C ATOM 831 C GLN B 207 9.964 35.439 -1.615 1.00 15.53 C ATOM 832 O GLN B 207 11.211 35.450 -1.656 1.00 14.83 O ATOM 833 CB GLN B 207 8.582 37.193 -2.909 1.00 17.03 C ATOM 834 CG GLN B 207 7.397 38.152 -2.854 1.00 18.67 C ATOM 835 CD GLN B 207 6.709 38.327 -4.188 1.00 19.61 C ATOM 836 OE1 GLN B 207 7.117 37.808 -5.221 1.00 20.06 O ATOM 837 NE2 GLN B 207 5.586 39.087 -4.237 1.00 20.50 N ATOM 838 N ARG B 208 9.324 34.288 -1.606 1.00 16.10 N ATOM 839 CA ARG B 208 10.075 32.995 -1.649 1.00 14.66 C ATOM 840 C ARG B 208 10.960 33.067 -2.853 1.00 12.96 C ATOM 841 O ARG B 208 10.445 33.484 -3.877 1.00 12.61 O ATOM 842 CB ARG B 208 9.175 31.754 -1.824 1.00 14.73 C ATOM 843 CG ARG B 208 8.514 31.365 -0.503 1.00 16.71 C ATOM 844 CD ARG B 208 7.554 30.240 -0.748 1.00 18.62 C ATOM 845 NE ARG B 208 6.753 30.134 0.469 1.00 19.99 N ATOM 846 CZ ARG B 208 5.699 29.364 0.564 1.00 21.32 C ATOM 847 NH1 ARG B 208 4.987 29.326 1.648 1.00 21.84 N ATOM 848 NH2 ARG B 208 5.340 28.608 -0.484 1.00 23.09 N ATOM 849 N PRO B 209 12.230 32.687 -2.696 1.00 11.76 N ATOM 850 CA PRO B 209 13.131 32.692 -3.869 1.00 11.36 C ATOM 851 C PRO B 209 12.846 31.562 -4.845 1.00 13.69 C ATOM 852 O PRO B 209 13.639 30.589 -5.001 1.00 11.92 O ATOM 853 CB PRO B 209 14.491 32.568 -3.208 1.00 10.99 C ATOM 854 CG PRO B 209 14.280 31.815 -1.930 1.00 9.34 C ATOM 855 CD PRO B 209 12.888 32.257 -1.476 1.00 10.53 C ATOM 856 N LEU B 210 11.822 31.668 -5.676 1.00 15.88 N ATOM 857 CA LEU B 210 11.389 30.706 -6.670 1.00 17.99 C ATOM 858 C LEU B 210 12.065 30.935 -8.022 1.00 18.86 C ATOM 859 O LEU B 210 12.121 32.076 -8.515 1.00 20.01 O ATOM 860 CB LEU B 210 9.871 30.630 -6.804 1.00 18.81 C ATOM 861 CG LEU B 210 8.979 30.286 -5.649 1.00 20.32 C ATOM 862 CD1 LEU B 210 7.536 30.093 -6.071 1.00 20.54 C ATOM 863 CD2 LEU B 210 9.403 28.940 -5.015 1.00 20.28 C ATOM 864 N VAL B 211 12.632 29.878 -8.582 1.00 18.52 N ATOM 865 CA VAL B 211 13.269 29.966 -9.894 1.00 18.66 C ATOM 866 C VAL B 211 12.676 28.837 -10.788 1.00 18.25 C ATOM 867 O VAL B 211 12.126 27.865 -10.267 1.00 17.63 O ATOM 868 CB VAL B 211 14.796 29.836 -9.889 1.00 18.60 C ATOM 869 CG1 VAL B 211 15.509 30.950 -9.176 1.00 19.07 C ATOM 870 CG2 VAL B 211 15.230 28.435 -9.524 1.00 18.25 C ATOM 871 N THR B 212 12.899 29.007 -12.076 1.00 18.65 1 N ATOM 872 CA THR B 212 12.460 28.034 -13.074 1.00 18.43 1 C ATOM 873 C THR B 212 13.668 27.090 -13.279 1.00 18.32 1 C ATOM 874 O THR B 212 14.812 27.553 -13.363 1.00 18.64 1 O ATOM 875 CB THR B 212 11.988 28.665 -14.438 1.00 19.17 1 C ATOM 876 OG11THR B 212 13.113 29.116 -15.195 0.50 19.88 1 O ATOM 877 OG12THR B 212 10.937 29.628 -14.111 0.50 18.52 1 O ATOM 878 CG21THR B 212 10.930 29.770 -14.245 0.50 19.06 1 C ATOM 879 CG22THR B 212 11.555 27.649 -15.488 0.50 18.04 1 C ATOM 880 N ILE B 213 13.400 25.814 -13.259 1.00 16.97 N ATOM 881 CA ILE B 213 14.464 24.801 -13.460 1.00 16.98 C ATOM 882 C ILE B 213 13.991 24.002 -14.650 1.00 17.70 C ATOM 883 O ILE B 213 12.755 23.977 -14.853 1.00 18.70 O ATOM 884 CB ILE B 213 14.717 23.947 -12.168 1.00 15.78 C ATOM 885 CG1 ILE B 213 13.483 23.058 -11.935 1.00 16.27 C ATOM 886 CG2 ILE B 213 15.162 24.849 -10.979 1.00 15.33 C ATOM 887 CD1 ILE B 213 13.492 21.966 -10.865 1.00 15.66 C ATOM 888 N LYS B 214 14.889 23.451 -15.412 1.00 18.00 N ATOM 889 CA LYS B 214 14.488 22.629 -16.588 1.00 18.63 C ATOM 890 C LYS B 214 15.036 21.251 -16.254 1.00 19.19 C ATOM 891 O LYS B 214 16.218 21.169 -15.946 1.00 17.28 O ATOM 892 CB LYS B 214 15.135 23.125 -17.879 1.00 19.08 C ATOM 893 CG LYS B 214 14.374 22.698 -19.149 1.00 19.71 C ATOM 894 CD LYS B 214 14.826 23.556 -20.355 1.00 20.23 C ATOM 895 CE LYS B 214 15.876 22.932 -21.212 1.00 21.45 C ATOM 896 NZ LYS B 214 16.056 23.676 -22.526 1.00 22.99 N ATOM 897 N ILE B 215 14.150 20.247 -16.252 1.00 20.47 N ATOM 898 CA ILE B 215 14.640 18.875 -15.942 1.00 20.74 C ATOM 899 C ILE B 215 13.826 17.976 -16.862 1.00 22.13 C ATOM 900 O ILE B 215 12.612 18.178 -16.907 1.00 22.24 O ATOM 901 CB ILE B 215 14.498 18.581 -14.409 1.00 19.80 C ATOM 902 CG1 ILE B 215 15.234 17.247 -14.112 1.00 19.36 C ATOM 903 CG2 ILE B 215 13.044 18.617 -13.944 1.00 19.32 C ATOM 904 CD1 ILE B 215 15.229 16.767 -12.642 1.00 19.24 C ATOM 905 N GLY B 216 14.483 17.086 -17.581 1.00 22.96 N ATOM 906 CA GLY B 216 13.842 16.204 -18.525 1.00 24.39 C ATOM 907 C GLY B 216 13.107 16.993 -19.622 1.00 26.69 C ATOM 908 O GLY B 216 12.109 16.472 -20.174 1.00 26.79 O ATOM 909 N GLY B 217 13.636 18.146 -20.001 1.00 27.57 N ATOM 910 CA GLY B 217 13.036 18.963 -21.067 1.00 28.41 C ATOM 911 C GLY B 217 11.795 19.665 -20.557 1.00 28.91 C ATOM 912 O GLY B 217 11.185 20.397 -21.360 1.00 30.64 O ATOM 913 N GLN B 218 11.443 19.479 -19.305 1.00 28.23 N ATOM 914 CA GLN B 218 10.298 20.088 -18.632 1.00 27.88 C ATOM 915 C GLN B 218 10.706 21.288 -17.750 1.00 25.46 C ATOM 916 O GLN B 218 11.799 21.229 -17.146 1.00 24.22 O ATOM 917 CB GLN B 218 9.692 19.068 -17.637 1.00 30.51 C ATOM 918 CG GLN B 218 8.507 18.271 -18.120 1.00 33.73 C ATOM 919 CD GLN B 218 8.604 16.865 -17.522 1.00 35.64 C ATOM 920 OE1 GLN B 218 9.614 16.149 -17.726 1.00 36.79 O ATOM 921 NE2 GLN B 218 7.562 16.517 -16.766 1.00 36.20 N ATOM 922 N LEU B 219 9.845 22.290 -17.656 1.00 22.27 N ATOM 923 CA LEU B 219 10.090 23.467 -16.821 1.00 20.27 C ATOM 924 C LEU B 219 9.311 23.205 -15.496 1.00 20.32 C ATOM 925 O LEU B 219 8.191 22.682 -15.556 1.00 19.55 O ATOM 926 CB LEU B 219 9.560 24.768 -17.422 1.00 20.41 C ATOM 927 CG LEU B 219 10.083 25.303 -18.752 1.00 19.72 C ATOM 928 CD1 LEU B 219 9.481 26.661 -18.994 1.00 19.18 C ATOM 929 CD2 LEU B 219 11.610 25.444 -18.659 1.00 19.90 C ATOM 930 N LYS B 220 9.927 23.586 -14.416 1.00 20.17 N ATOM 931 CA LYS B 220 9.348 23.442 -13.057 1.00 20.08 C ATOM 932 C LYS B 220 9.836 24.648 -12.245 1.00 19.24 C ATOM 933 O LYS B 220 10.767 25.323 -12.673 1.00 18.36 O ATOM 934 CB LYS B 220 9.919 22.175 -12.454 1.00 21.68 C ATOM 935 CG LYS B 220 9.101 20.929 -12.485 1.00 23.92 C ATOM 936 CD LYS B 220 9.363 19.996 -13.647 1.00 25.02 C ATOM 937 CE LYS B 220 8.392 18.810 -13.535 1.00 26.34 C ATOM 938 NZ LYS B 220 8.124 18.560 -12.073 1.00 27.86 N ATOM 939 N GLU B 221 9.171 24.948 -11.152 1.00 19.23 N ATOM 940 CA GLU B 221 9.509 26.001 -10.219 1.00 19.16 C ATOM 941 C GLU B 221 10.157 25.266 -9.017 1.00 17.43 C ATOM 942 O GLU B 221 9.605 24.226 -8.643 1.00 16.74 O ATOM 943 CB GLU B 221 8.316 26.716 -9.550 1.00 21.09 C ATOM 944 CG GLU B 221 7.594 27.690 -10.515 1.00 24.39 C ATOM 945 CD GLU B 221 8.543 28.769 -10.970 1.00 26.17 C ATOM 946 OE1 GLU B 221 9.351 28.566 -11.864 1.00 27.54 O ATOM 947 OE2 GLU B 221 8.430 29.812 -10.265 1.00 27.82 O ATOM 948 N ALA B 222 11.215 25.876 -8.516 1.00 14.87 N ATOM 949 CA ALA B 222 11.895 25.302 -7.362 1.00 12.88 C ATOM 950 C ALA B 222 12.407 26.457 -6.504 1.00 12.44 C ATOM 951 O ALA B 222 12.680 27.614 -6.992 1.00 11.81 O ATOM 952 CB ALA B 222 12.998 24.354 -7.789 1.00 13.41 C ATOM 953 N LEU B 223 12.482 26.172 -5.266 1.00 11.61 N ATOM 954 CA LEU B 223 12.932 27.168 -4.244 1.00 12.98 C ATOM 955 C LEU B 223 14.425 27.068 -4.046 1.00 13.35 C ATOM 956 O LEU B 223 14.860 25.935 -3.770 1.00 12.42 O ATOM 957 CB LEU B 223 12.156 26.704 -3.015 1.00 13.42 C ATOM 958 CG LEU B 223 12.344 27.532 -1.708 1.00 13.46 C ATOM 959 CD1 LEU B 223 11.618 28.824 -2.006 1.00 13.71 C ATOM 960 CD2 LEU B 223 11.703 26.685 -0.606 1.00 12.60 C ATOM 961 N LEU B 224 15.171 28.146 -4.047 1.00 13.82 N ATOM 962 CA LEU B 224 16.640 28.062 -3.746 1.00 13.15 C ATOM 963 C LEU B 224 16.644 28.047 -2.207 1.00 12.92 C ATOM 964 O LEU B 224 16.144 29.031 -1.617 1.00 12.71 O ATOM 965 CB LEU B 224 17.300 29.273 -4.370 1.00 13.13 C ATOM 966 CG LEU B 224 17.099 29.515 -5.843 1.00 12.82 C ATOM 967 CD1 LEU B 224 18.017 30.661 -6.308 1.00 12.87 C ATOM 968 CD2 LEU B 224 17.522 28.289 -6.648 1.00 12.61 C ATOM 969 N ASP B 225 17.138 26.957 -1.644 1.00 12.29 N ATOM 970 CA ASP B 225 17.028 26.757 -0.186 1.00 10.63 C ATOM 971 C ASP B 225 18.335 26.462 0.516 1.00 10.88 C ATOM 972 O ASP B 225 18.862 25.324 0.540 1.00 10.12 O ATOM 973 CB ASP B 225 16.000 25.578 -0.112 1.00 10.02 C ATOM 974 CG ASP B 225 15.636 25.146 1.261 1.00 10.19 C ATOM 975 OD1 ASP B 225 14.859 24.226 1.439 1.00 11.51 O ATOM 976 OD2 ASP B 225 16.074 25.707 2.313 1.00 11.85 O ATOM 977 N THR B 226 18.901 27.537 1.119 1.00 9.70 N ATOM 978 CA THR B 226 20.187 27.411 1.776 1.00 9.48 C ATOM 979 C THR B 226 20.064 26.533 3.008 1.00 10.16 C ATOM 980 O THR B 226 21.096 26.091 3.567 1.00 10.52 O ATOM 981 CB THR B 226 20.756 28.855 2.050 1.00 10.00 C ATOM 982 OG1 THR B 226 19.822 29.428 3.015 1.00 10.82 O ATOM 983 CG2 THR B 226 20.860 29.748 0.800 1.00 11.10 C ATOM 984 N GLY B 227 18.841 26.281 3.447 1.00 10.32 N ATOM 985 CA GLY B 227 18.755 25.434 4.684 1.00 11.07 C ATOM 986 C GLY B 227 18.623 23.976 4.250 1.00 11.53 C ATOM 987 O GLY B 227 18.305 23.174 5.159 1.00 12.04 O ATOM 988 N ALA B 228 18.829 23.644 2.976 1.00 9.71 N ATOM 989 CA ALA B 228 18.737 22.270 2.524 1.00 9.37 C ATOM 990 C ALA B 228 20.055 21.750 2.021 1.00 8.93 C ATOM 991 O ALA B 228 20.654 22.291 1.065 1.00 8.60 O ATOM 992 CB ALA B 228 17.616 22.063 1.461 1.00 10.17 C ATOM 993 N ASP B 229 20.547 20.710 2.650 1.00 8.57 N ATOM 994 CA ASP B 229 21.787 20.051 2.249 1.00 8.62 C ATOM 995 C ASP B 229 21.599 19.509 0.813 1.00 8.27 C ATOM 996 O ASP B 229 22.458 19.586 -0.022 1.00 7.50 O ATOM 997 CB ASP B 229 21.955 18.810 3.180 1.00 9.42 C ATOM 998 CG ASP B 229 22.379 19.158 4.606 1.00 10.36 C ATOM 999 OD1 ASP B 229 22.414 18.316 5.493 1.00 10.60 O ATOM 1000 OD2 ASP B 229 22.653 20.335 4.852 1.00 10.95 O ATOM 1001 N ASP B 230 20.445 18.898 0.631 1.00 8.69 1 N ATOM 1002 CA ASP B 230 20.149 18.183 -0.639 1.00 9.49 1 C ATOM 1003 C ASP B 230 19.095 18.810 -1.488 1.00 9.59 1 C ATOM 1004 O ASP B 230 18.247 19.566 -0.958 1.00 9.71 1 O ATOM 1005 CB ASP B 230 19.583 16.803 -0.113 1.00 11.77 1 C ATOM 1006 CG ASP B 230 20.653 16.028 0.702 1.00 13.11 1 C ATOM 1007 OD11ASP B 230 20.502 14.997 1.337 0.58 13.58 1 O ATOM 1008 OD12ASP B 230 20.376 15.965 1.923 0.42 12.43 1 O ATOM 1009 OD21ASP B 230 21.798 16.553 0.642 0.58 12.99 1 O ATOM 1010 OD22ASP B 230 21.575 15.546 0.038 0.42 12.43 1 O ATOM 1011 N THR B 231 18.959 18.341 -2.730 1.00 8.90 N ATOM 1012 CA THR B 231 17.934 18.812 -3.659 1.00 8.91 C ATOM 1013 C THR B 231 16.807 17.738 -3.632 1.00 9.78 C ATOM 1014 O THR B 231 17.078 16.573 -3.914 1.00 8.24 O ATOM 1015 CB THR B 231 18.524 19.049 -5.064 1.00 9.63 C ATOM 1016 OG1 THR B 231 19.275 20.351 -5.094 1.00 10.03 O ATOM 1017 CG2 THR B 231 17.491 18.929 -6.211 1.00 8.58 C ATOM 1018 N VAL B 232 15.592 18.119 -3.347 1.00 11.27 N ATOM 1019 CA VAL B 232 14.395 17.271 -3.278 1.00 12.42 C ATOM 1020 C VAL B 232 13.330 17.852 -4.231 1.00 13.19 C ATOM 1021 O VAL B 232 12.879 18.955 -4.040 1.00 13.59 O ATOM 1022 CB VAL B 232 13.746 17.284 -1.866 1.00 12.85 C ATOM 1023 CG1 VAL B 232 12.670 16.159 -1.762 1.00 14.07 C ATOM 1024 CG2 VAL B 232 14.752 17.156 -0.760 1.00 12.65 C ATOM 1025 N LEU B 233 12.878 17.057 -5.142 1.00 13.18 N ATOM 1026 CA LEU B 233 11.882 17.355 -6.116 1.00 14.62 C ATOM 1027 C LEU B 233 10.633 16.494 -5.820 1.00 16.04 C ATOM 1028 O LEU B 233 10.727 15.393 -5.265 1.00 15.99 O ATOM 1029 CB LEU B 233 12.439 17.185 -7.556 1.00 11.16 C ATOM 1030 CG LEU B 233 13.620 18.107 -7.869 1.00 12.21 C ATOM 1031 CD1 LEU B 233 14.106 17.738 -9.310 1.00 12.13 C ATOM 1032 CD2 LEU B 233 13.197 19.545 -7.895 1.00 10.20 C ATOM 1033 N GLU B 234 9.503 17.116 -6.158 1.00 17.88 N ATOM 1034 CA GLU B 234 8.221 16.368 -5.973 1.00 20.33 C ATOM 1035 C GLU B 234 8.250 15.179 -6.937 1.00 21.59 C ATOM 1036 O GLU B 234 8.890 15.244 -7.982 1.00 21.60 O ATOM 1037 CB GLU B 234 7.052 17.262 -6.329 1.00 20.42 C ATOM 1038 CG GLU B 234 6.873 18.500 -5.404 1.00 21.66 C ATOM 1039 CD GLU B 234 6.198 19.616 -6.142 1.00 22.47 C ATOM 1040 OE1 GLU B 234 6.081 20.735 -5.723 1.00 23.38 O ATOM 1041 OE2 GLU B 234 5.730 19.245 -7.239 1.00 23.36 O ATOM 1042 N GLU B 235 7.473 14.156 -6.600 1.00 24.47 N ATOM 1043 CA GLU B 235 7.358 12.951 -7.398 1.00 27.56 C ATOM 1044 C GLU B 235 7.404 13.236 -8.898 1.00 28.95 C ATOM 1045 O GLU B 235 6.652 14.081 -9.431 1.00 29.07 O ATOM 1046 CB GLU B 235 6.162 12.062 -7.066 1.00 28.48 C ATOM 1047 CG GLU B 235 6.058 10.837 -7.980 1.00 29.93 C ATOM 1048 CD GLU B 235 7.214 9.878 -8.006 1.00 31.33 C ATOM 1049 OE1 GLU B 235 7.694 9.338 -9.016 1.00 31.90 O ATOM 1050 OE2 GLU B 235 7.663 9.617 -6.848 1.00 32.36 O ATOM 1051 N MET B 236 8.336 12.539 -9.558 1.00 30.54 N ATOM 1052 CA MET B 236 8.524 12.673 -11.000 1.00 32.11 C ATOM 1053 C MET B 236 9.283 11.479 -11.571 1.00 32.90 C ATOM 1054 O MET B 236 10.003 10.758 -10.855 1.00 33.68 O ATOM 1055 CB MET B 236 9.161 13.997 -11.321 1.00 33.77 C ATOM 1056 CG MET B 236 10.504 14.203 -10.670 1.00 34.59 C ATOM 1057 SD MET B 236 11.206 15.673 -11.543 1.00 36.50 S ATOM 1058 CE MET B 236 10.851 15.214 -13.269 1.00 35.75 C ATOM 1059 N ASN B 237 9.076 11.239 -12.858 1.00 33.22 N ATOM 1060 CA ASN B 237 9.756 10.098 -13.501 1.00 33.78 C ATOM 1061 C ASN B 237 11.217 10.491 -13.755 1.00 33.11 C ATOM 1062 O ASN B 237 11.463 11.455 -14.517 1.00 33.65 O ATOM 1063 CB ASN B 237 9.012 9.618 -14.736 1.00 34.94 C ATOM 1064 CG ASN B 237 7.776 8.801 -14.413 1.00 36.48 C ATOM 1065 OD1 ASN B 237 6.675 9.033 -14.983 1.00 37.12 O ATOM 1066 ND2 ASN B 237 7.900 7.832 -13.493 1.00 36.95 N ATOM 1067 N LEU B 238 12.139 9.769 -13.118 1.00 31.15 N ATOM 1068 CA LEU B 238 13.572 10.088 -13.416 1.00 29.89 C ATOM 1069 C LEU B 238 14.179 8.800 -13.971 1.00 29.56 C ATOM 1070 O LEU B 238 13.666 7.700 -13.664 1.00 30.22 O ATOM 1071 CB LEU B 238 14.238 10.708 -12.206 1.00 28.98 C ATOM 1072 CG LEU B 238 14.086 12.200 -11.964 1.00 27.58 C ATOM 1073 CD1 LEU B 238 15.031 12.674 -10.865 1.00 27.41 C ATOM 1074 CD2 LEU B 238 14.431 12.964 -13.236 1.00 26.95 C ATOM 1075 N PRO B 239 15.240 8.951 -14.724 1.00 29.03 N ATOM 1076 CA PRO B 239 15.951 7.839 -15.346 1.00 28.01 C ATOM 1077 C PRO B 239 17.024 7.210 -14.480 1.00 26.54 C ATOM 1078 O PRO B 239 17.819 7.869 -13.745 1.00 26.79 O ATOM 1079 CB PRO B 239 16.575 8.519 -16.585 1.00 28.49 C ATOM 1080 CG PRO B 239 17.090 9.826 -15.956 1.00 29.47 C ATOM 1081 CD PRO B 239 15.836 10.260 -15.142 1.00 29.65 C ATOM 1082 N GLY B 240 17.005 5.890 -14.565 1.00 24.63 N ATOM 1083 CA GLY B 240 17.977 5.014 -13.892 1.00 22.81 C ATOM 1084 C GLY B 240 17.491 4.419 -12.578 1.00 20.00 C ATOM 1085 O GLY B 240 16.327 4.500 -12.227 1.00 21.51 O ATOM 1086 N ARG B 241 18.420 3.862 -11.837 1.00 17.79 N ATOM 1087 CA ARG B 241 18.171 3.241 -10.546 1.00 16.46 C ATOM 1088 C ARG B 241 18.212 4.316 -9.471 1.00 15.49 C ATOM 1089 O ARG B 241 19.011 5.300 -9.524 1.00 14.79 O ATOM 1090 CB ARG B 241 19.294 2.216 -10.231 1.00 14.89 C ATOM 1091 CG ARG B 241 19.185 1.034 -11.184 1.00 15.05 C ATOM 1092 CD ARG B 241 20.138 -0.068 -10.941 1.00 14.37 C ATOM 1093 NE ARG B 241 20.010 -0.634 -9.611 1.00 14.29 N ATOM 1094 CZ ARG B 241 19.075 -1.553 -9.253 1.00 13.24 C ATOM 1095 NH1 ARG B 241 18.172 -1.959 -10.137 1.00 12.04 N ATOM 1096 NH2 ARG B 241 19.175 -2.022 -7.982 1.00 12.83 N ATOM 1097 N TRP B 242 17.483 4.053 -8.438 1.00 14.92 N ATOM 1098 CA TRP B 242 17.463 4.984 -7.284 1.00 14.29 C ATOM 1099 C TRP B 242 17.920 4.123 -6.111 1.00 14.85 C ATOM 1100 O TRP B 242 17.939 2.898 -6.265 1.00 14.31 O ATOM 1101 CB TRP B 242 16.152 5.628 -7.071 1.00 13.41 C ATOM 1102 CG TRP B 242 15.037 4.637 -6.880 1.00 12.84 C ATOM 1103 CD1 TRP B 242 14.328 4.017 -7.851 1.00 12.87 C ATOM 1104 CD2 TRP B 242 14.551 4.167 -5.629 1.00 13.04 C ATOM 1105 NE1 TRP B 242 13.350 3.217 -7.273 1.00 12.76 N ATOM 1106 CE2 TRP B 242 13.483 3.291 -5.900 1.00 12.22 C ATOM 1107 CE3 TRP B 242 14.908 4.469 -4.298 1.00 12.97 C ATOM 1108 CZ2 TRP B 242 12.767 2.647 -4.924 1.00 12.03 C ATOM 1109 CZ3 TRP B 242 14.150 3.812 -3.307 1.00 12.68 C ATOM 1110 CH2 TRP B 242 13.125 2.935 -3.622 1.00 13.12 C ATOM 1111 N LYS B 243 18.374 4.868 -5.109 1.00 15.31 1 N ATOM 1112 CA LYS B 243 18.822 4.148 -3.878 1.00 16.51 1 C ATOM 1113 C LYS B 243 18.062 4.841 -2.773 1.00 15.58 1 C ATOM 1114 O LYS B 243 17.592 5.948 -3.034 1.00 15.50 1 O ATOM 1115 CB LYS B 243 20.288 3.951 -3.805 1.00 17.70 1 C ATOM 1116 CG LYS B 243 21.189 5.181 -3.688 1.00 19.39 1 C ATOM 1117 CD LYS B 243 22.530 4.731 -3.032 1.00 19.84 1 C ATOM 1118 CE LYS B 243 23.695 5.564 -3.545 1.00 20.55 1 C ATOM 1119 NZ 1LYS B 243 24.948 5.121 -2.852 0.50 19.45 1 N ATOM 1120 NZ 2LYS B 243 23.379 6.057 -4.932 0.50 20.59 1 N ATOM 1121 N PRO B 244 17.846 4.187 -1.657 1.00 15.77 N ATOM 1122 CA PRO B 244 17.101 4.691 -0.524 1.00 16.56 C ATOM 1123 C PRO B 244 17.863 5.756 0.265 1.00 16.65 C ATOM 1124 O PRO B 244 19.071 5.653 0.383 1.00 16.88 O ATOM 1125 CB PRO B 244 16.893 3.483 0.410 1.00 16.03 C ATOM 1126 CG PRO B 244 17.387 2.330 -0.356 1.00 15.96 C ATOM 1127 CD PRO B 244 18.402 2.847 -1.352 1.00 16.21 C ATOM 1128 N LYS B 245 17.154 6.765 0.770 1.00 16.41 N ATOM 1129 CA LYS B 245 17.784 7.822 1.533 1.00 17.09 C ATOM 1130 C LYS B 245 16.742 8.396 2.493 1.00 18.19 C ATOM 1131 O LYS B 245 15.546 8.523 2.062 1.00 17.70 O ATOM 1132 CB LYS B 245 18.368 8.973 0.647 1.00 16.44 C ATOM 1133 CG LYS B 245 19.286 9.744 1.651 1.00 18.48 C ATOM 1134 CD LYS B 245 19.909 11.027 1.197 1.00 19.04 C ATOM 1135 CE LYS B 245 20.999 11.496 2.130 1.00 20.75 C ATOM 1136 NZ LYS B 245 21.724 12.659 1.493 1.00 23.21 N ATOM 1137 N MET B 246 17.143 8.623 3.692 1.00 19.94 N ATOM 1138 CA MET B 246 16.269 9.176 4.751 1.00 22.49 C ATOM 1139 C MET B 246 16.710 10.630 4.931 1.00 21.38 C ATOM 1140 O MET B 246 17.890 10.888 4.935 1.00 21.59 O ATOM 1141 CB MET B 246 16.383 8.414 6.060 1.00 25.10 C ATOM 1142 CG MET B 246 15.587 7.110 5.965 1.00 28.88 C ATOM 1143 SD MET B 246 13.990 7.442 6.842 1.00 32.57 S ATOM 1144 CE MET B 246 14.728 8.234 8.327 1.00 31.58 C ATOM 1145 N ILE B 247 15.760 11.539 5.075 1.00 21.28 N ATOM 1146 CA ILE B 247 16.100 12.945 5.281 1.00 20.68 C ATOM 1147 C ILE B 247 15.253 13.474 6.440 1.00 20.02 C ATOM 1148 O ILE B 247 14.170 12.909 6.704 1.00 20.17 O ATOM 1149 CB ILE B 247 15.954 13.735 3.939 1.00 21.20 C ATOM 1150 CG1 ILE B 247 14.588 13.397 3.269 1.00 22.11 C ATOM 1151 CG2 ILE B 247 17.126 13.548 2.957 1.00 21.36 C ATOM 1152 CD1 ILE B 247 14.268 14.370 2.084 1.00 22.26 C ATOM 1153 N GLY B 248 15.783 14.466 7.121 1.00 18.73 N ATOM 1154 CA GLY B 248 15.032 15.081 8.283 1.00 16.98 C ATOM 1155 C GLY B 248 14.544 16.447 7.834 1.00 16.38 C ATOM 1156 O GLY B 248 15.113 17.140 6.978 1.00 15.44 O ATOM 1157 N GLY B 249 13.431 16.887 8.366 1.00 17.22 N ATOM 1158 CA GLY B 249 12.815 18.171 8.034 1.00 17.30 C ATOM 1159 C GLY B 249 12.286 18.713 9.329 1.00 17.67 C ATOM 1160 O GLY B 249 12.601 18.204 10.381 1.00 16.65 O ATOM 1161 N ILE B 250 11.471 19.742 9.163 1.00 19.83 N ATOM 1162 CA ILE B 250 10.869 20.371 10.365 1.00 21.64 C ATOM 1163 C ILE B 250 9.932 19.374 11.020 1.00 22.22 C ATOM 1164 O ILE B 250 9.870 19.328 12.262 1.00 22.01 O ATOM 1165 CB ILE B 250 10.231 21.752 10.004 1.00 22.04 C ATOM 1166 CG1 ILE B 250 10.048 22.624 11.280 1.00 22.17 C ATOM 1167 CG2 ILE B 250 8.930 21.652 9.194 1.00 22.11 C ATOM 1168 CD1 ILE B 250 11.294 23.536 11.543 1.00 22.68 C ATOM 1169 N GLY B 251 9.241 18.579 10.216 1.00 23.14 N ATOM 1170 CA GLY B 251 8.255 17.617 10.767 1.00 23.28 C ATOM 1171 C GLY B 251 8.788 16.294 11.219 1.00 24.12 C ATOM 1172 O GLY B 251 8.123 15.648 12.053 1.00 24.99 O ATOM 1173 N GLY B 252 9.940 15.848 10.796 1.00 24.16 N ATOM 1174 CA GLY B 252 10.531 14.558 11.158 1.00 24.63 C ATOM 1175 C GLY B 252 11.304 14.051 9.911 1.00 24.44 C ATOM 1176 O GLY B 252 11.593 14.883 9.071 1.00 23.43 O ATOM 1177 N PHE B 253 11.550 12.787 9.862 1.00 24.31 N ATOM 1178 CA PHE B 253 12.257 12.066 8.788 1.00 24.61 C ATOM 1179 C PHE B 253 11.291 11.436 7.808 1.00 25.17 C ATOM 1180 O PHE B 253 10.175 11.091 8.242 1.00 26.28 O ATOM 1181 CB PHE B 253 13.140 11.001 9.502 1.00 24.47 C ATOM 1182 CG PHE B 253 14.174 11.712 10.355 1.00 24.73 C ATOM 1183 CD1 PHE B 253 15.420 11.998 9.807 1.00 25.09 C ATOM 1184 CD2 PHE B 253 13.862 12.116 11.647 1.00 25.13 C ATOM 1185 CE1 PHE B 253 16.392 12.634 10.570 1.00 25.43 C ATOM 1186 CE2 PHE B 253 14.814 12.792 12.438 1.00 25.01 C ATOM 1187 CZ PHE B 253 16.085 13.066 11.886 1.00 25.03 C ATOM 1188 N ILE B 254 11.598 11.360 6.541 1.00 24.67 N ATOM 1189 CA ILE B 254 10.842 10.772 5.457 1.00 24.30 C ATOM 1190 C ILE B 254 11.861 9.951 4.620 1.00 24.02 C ATOM 1191 O ILE B 254 13.044 10.231 4.718 1.00 23.79 O ATOM 1192 CB ILE B 254 10.066 11.730 4.497 1.00 24.51 C ATOM 1193 CG1 ILE B 254 11.030 12.418 3.538 1.00 24.69 C ATOM 1194 CG2 ILE B 254 9.171 12.719 5.288 1.00 25.55 C ATOM 1195 CD1 ILE B 254 10.648 13.634 2.671 1.00 24.41 C ATOM 1196 N LYS B 255 11.331 9.038 3.822 1.00 24.57 N ATOM 1197 CA LYS B 255 12.159 8.207 2.952 1.00 24.55 C ATOM 1198 C LYS B 255 12.047 8.823 1.573 1.00 23.30 C ATOM 1199 O LYS B 255 10.951 9.303 1.264 1.00 23.55 O ATOM 1200 CB LYS B 255 11.618 6.792 2.936 1.00 26.67 C ATOM 1201 CG LYS B 255 11.870 5.950 4.180 1.00 28.38 C ATOM 1202 CD LYS B 255 13.299 5.572 4.418 1.00 29.89 C ATOM 1203 CE LYS B 255 14.015 5.131 3.124 1.00 30.32 C ATOM 1204 NZ LYS B 255 15.473 4.931 3.512 1.00 30.18 N ATOM 1205 N VAL B 256 13.080 8.878 0.800 1.00 22.29 N ATOM 1206 CA VAL B 256 13.059 9.460 -0.552 1.00 21.21 C ATOM 1207 C VAL B 256 13.857 8.500 -1.423 1.00 20.62 C ATOM 1208 O VAL B 256 14.578 7.666 -0.876 1.00 20.28 O ATOM 1209 CB VAL B 256 13.673 10.863 -0.552 1.00 21.76 C ATOM 1210 CG1 VAL B 256 12.797 11.866 0.214 1.00 22.29 C ATOM 1211 CG2 VAL B 256 15.070 10.839 0.068 1.00 21.45 C ATOM 1212 N ARG B 257 13.692 8.668 -2.695 1.00 20.68 N ATOM 1213 CA ARG B 257 14.435 7.876 -3.695 1.00 21.06 C ATOM 1214 C ARG B 257 15.582 8.790 -4.164 1.00 20.14 C ATOM 1215 O ARG B 257 15.323 9.968 -4.522 1.00 20.19 O ATOM 1216 CB ARG B 257 13.570 7.464 -4.885 1.00 22.31 C ATOM 1217 CG ARG B 257 12.240 6.868 -4.508 1.00 24.66 C ATOM 1218 CD ARG B 257 11.624 6.135 -5.635 1.00 27.52 C ATOM 1219 NE ARG B 257 11.509 6.903 -6.866 1.00 29.92 N ATOM 1220 CZ ARG B 257 10.486 7.793 -6.955 1.00 31.87 C ATOM 1221 NH1 ARG B 257 9.698 8.052 -5.908 1.00 32.21 N ATOM 1222 NH2 ARG B 257 10.201 8.381 -8.128 1.00 32.60 N ATOM 1223 N GLN B 258 16.776 8.255 -4.205 1.00 18.27 N ATOM 1224 CA GLN B 258 17.943 9.039 -4.652 1.00 17.43 C ATOM 1225 C GLN B 258 18.445 8.686 -6.016 1.00 17.65 C ATOM 1226 O GLN B 258 18.758 7.546 -6.318 1.00 19.10 O ATOM 1227 CB GLN B 258 19.102 8.830 -3.625 1.00 17.80 C ATOM 1228 CG GLN B 258 20.422 9.349 -4.152 1.00 17.88 C ATOM 1229 CD GLN B 258 21.542 9.223 -3.171 1.00 17.72 C ATOM 1230 OE1 GLN B 258 21.341 9.055 -1.985 1.00 18.79 O ATOM 1231 NE2 GLN B 258 22.785 9.326 -3.656 1.00 18.63 N ATOM 1232 N TYR B 259 18.577 9.644 -6.909 1.00 17.89 N ATOM 1233 CA TYR B 259 19.089 9.511 -8.252 1.00 17.86 C ATOM 1234 C TYR B 259 20.367 10.352 -8.380 1.00 18.66 C ATOM 1235 O TYR B 259 20.379 11.476 -7.877 1.00 18.74 O ATOM 1236 CB TYR B 259 18.118 9.928 -9.369 1.00 16.57 C ATOM 1237 CG TYR B 259 16.798 9.220 -9.384 1.00 15.32 C ATOM 1238 CD1 TYR B 259 15.806 9.562 -8.468 1.00 15.01 C ATOM 1239 CD2 TYR B 259 16.495 8.220 -10.335 1.00 15.47 C ATOM 1240 CE1 TYR B 259 14.568 8.935 -8.450 1.00 15.20 C ATOM 1241 CE2 TYR B 259 15.235 7.605 -10.313 1.00 15.23 C ATOM 1242 CZ TYR B 259 14.289 7.952 -9.384 1.00 15.18 C ATOM 1243 OH TYR B 259 13.069 7.295 -9.370 1.00 16.18 O ATOM 1244 N ASP B 260 21.397 9.762 -8.986 1.00 19.32 N ATOM 1245 CA ASP B 260 22.620 10.439 -9.268 1.00 20.57 C ATOM 1246 C ASP B 260 22.748 10.802 -10.749 1.00 20.72 C ATOM 1247 O ASP B 260 22.135 10.179 -11.658 1.00 20.36 O ATOM 1248 CB ASP B 260 23.862 9.718 -8.752 1.00 23.21 C ATOM 1249 CG ASP B 260 23.498 9.316 -7.303 1.00 25.13 C ATOM 1250 OD1 ASP B 260 23.932 8.268 -6.863 1.00 26.17 O ATOM 1251 OD2 ASP B 260 22.748 10.178 -6.800 1.00 25.88 O ATOM 1252 N GLN B 261 23.520 11.864 -10.860 1.00 19.77 1 N ATOM 1253 CA GLN B 261 23.924 12.422 -12.124 1.00 20.16 1 C ATOM 1254 C GLN B 261 22.769 12.947 -12.940 1.00 19.98 1 C ATOM 1255 O GLN B 261 22.708 12.608 -14.120 1.00 20.50 1 O ATOM 1256 CB GLN B 261 24.756 11.366 -12.899 1.00 20.18 1 C ATOM 1257 CG 1GLN B 261 25.918 10.945 -11.969 0.50 20.57 1 C ATOM 1258 CG 2GLN B 261 25.929 11.961 -13.648 0.50 19.89 1 C ATOM 1259 CD 1GLN B 261 27.000 12.016 -12.015 0.50 20.78 1 C ATOM 1260 CD 2GLN B 261 27.136 11.056 -13.713 0.50 19.78 1 C ATOM 1261 OE11GLN B 261 27.656 12.342 -11.039 0.50 20.46 1 O ATOM 1262 OE12GLN B 261 27.344 10.202 -12.834 0.50 20.29 1 O ATOM 1263 NE21GLN B 261 27.174 12.509 -13.242 0.50 21.08 1 N ATOM 1264 NE22GLN B 261 27.958 11.236 -14.727 0.50 18.93 1 N ATOM 1265 N ILE B 262 21.910 13.703 -12.260 1.00 19.84 N ATOM 1266 CA ILE B 262 20.753 14.275 -12.970 1.00 19.07 C ATOM 1267 C ILE B 262 21.210 15.660 -13.414 1.00 18.82 C ATOM 1268 O ILE B 262 21.821 16.406 -12.628 1.00 18.66 O ATOM 1269 CB ILE B 262 19.455 14.291 -12.076 1.00 18.98 C ATOM 1270 CG1 ILE B 262 19.073 12.834 -11.648 1.00 18.61 C ATOM 1271 CG2 ILE B 262 18.287 15.003 -12.804 1.00 18.89 C ATOM 1272 CD1 ILE B 262 18.847 11.824 -12.808 1.00 17.95 C ATOM 1273 N LEU B 263 21.005 15.925 -14.664 1.00 18.97 N ATOM 1274 CA LEU B 263 21.318 17.268 -15.181 1.00 19.61 C ATOM 1275 C LEU B 263 20.060 18.139 -14.939 1.00 19.38 C ATOM 1276 O LEU B 263 18.931 17.721 -15.222 1.00 17.88 O ATOM 1277 CB LEU B 263 21.551 17.103 -16.682 1.00 21.06 C ATOM 1278 CG LEU B 263 21.553 18.503 -17.354 1.00 21.50 C ATOM 1279 CD1 LEU B 263 22.863 19.176 -17.218 1.00 21.16 C ATOM 1280 CD2 LEU B 263 21.124 18.232 -18.775 1.00 22.75 C ATOM 1281 N ILE B 264 20.288 19.279 -14.391 1.00 19.93 1 N ATOM 1282 CA ILE B 264 19.256 20.251 -14.092 1.00 21.57 1 C ATOM 1283 C ILE B 264 19.778 21.606 -14.570 1.00 22.60 1 C ATOM 1284 O ILE B 264 20.967 21.817 -14.464 1.00 22.35 1 O ATOM 1285 CB ILE B 264 18.894 20.233 -12.577 1.00 21.46 1 C ATOM 1286 CG11ILE B 264 17.591 21.031 -12.321 0.50 21.35 1 C ATOM 1287 CG12ILE B 264 18.164 18.940 -12.169 0.50 21.18 1 C ATOM 1288 CG21ILE B 264 20.058 20.681 -11.653 0.50 21.55 1 C ATOM 1289 CG22ILE B 264 18.059 21.504 -12.214 0.50 20.95 1 C ATOM 1290 CD11ILE B 264 16.853 20.577 -11.020 0.50 21.65 1 C ATOM 1291 CD12ILE B 264 17.317 19.125 -10.867 0.50 21.17 1 C ATOM 1292 N GLU B 265 18.948 22.424 -15.115 1.00 24.41 N ATOM 1293 CA GLU B 265 19.357 23.781 -15.537 1.00 26.39 C ATOM 1294 C GLU B 265 18.593 24.704 -14.587 1.00 26.41 C ATOM 1295 O GLU B 265 17.358 24.580 -14.551 1.00 26.13 O ATOM 1296 CB GLU B 265 18.956 24.134 -16.951 1.00 27.84 C ATOM 1297 CG GLU B 265 19.816 25.292 -17.546 1.00 31.07 C ATOM 1298 CD GLU B 265 19.462 25.427 -19.031 1.00 32.88 C ATOM 1299 OE1 GLU B 265 19.167 26.456 -19.596 1.00 33.56 O ATOM 1300 OE2 GLU B 265 19.459 24.268 -19.518 1.00 34.14 O ATOM 1301 N ILE B 266 19.329 25.481 -13.846 1.00 26.81 N ATOM 1302 CA ILE B 266 18.715 26.435 -12.885 1.00 27.61 C ATOM 1303 C ILE B 266 19.055 27.806 -13.451 1.00 28.92 C ATOM 1304 O ILE B 266 20.261 28.149 -13.416 1.00 27.83 O ATOM 1305 CB ILE B 266 19.289 26.225 -11.454 1.00 27.12 C ATOM 1306 CG1 ILE B 266 19.132 24.708 -11.091 1.00 27.52 C ATOM 1307 CG2 ILE B 266 18.650 27.139 -10.402 1.00 27.15 C ATOM 1308 CD1 ILE B 266 20.369 24.154 -10.329 1.00 27.03 C ATOM 1309 N CYS B 267 18.023 28.477 -13.923 1.00 30.30 N ATOM 1310 CA CYS B 267 18.218 29.812 -14.540 1.00 32.45 C ATOM 1311 C CYS B 267 19.287 29.742 -15.615 1.00 32.59 C ATOM 1312 O CYS B 267 20.187 30.583 -15.692 1.00 32.77 O ATOM 1313 CB CYS B 267 18.576 30.909 -13.563 1.00 33.52 C ATOM 1314 SG CYS B 267 17.193 31.398 -12.514 1.00 36.20 S ATOM 1315 N GLY B 268 19.109 28.688 -16.415 1.00 33.22 N ATOM 1316 CA GLY B 268 20.048 28.483 -17.525 1.00 32.46 C ATOM 1317 C GLY B 268 21.414 28.119 -16.989 1.00 31.50 C ATOM 1318 O GLY B 268 22.338 28.117 -17.831 1.00 32.62 O ATOM 1319 N HIS B 269 21.541 27.863 -15.693 1.00 29.54 N ATOM 1320 CA HIS B 269 22.873 27.411 -15.211 1.00 28.07 C ATOM 1321 C HIS B 269 22.798 25.874 -15.200 1.00 27.14 C ATOM 1322 O HIS B 269 21.924 25.389 -14.450 1.00 26.25 O ATOM 1323 CB HIS B 269 23.275 27.839 -13.785 1.00 28.37 C ATOM 1324 CG HIS B 269 23.518 29.326 -13.874 1.00 29.36 C ATOM 1325 ND1 HIS B 269 24.732 29.897 -13.856 1.00 29.27 N ATOM 1326 CD2 HIS B 269 22.585 30.320 -14.036 1.00 29.88 C ATOM 1327 CE1 HIS B 269 24.576 31.221 -13.963 1.00 29.42 C ATOM 1328 NE2 HIS B 269 23.317 31.496 -14.105 1.00 30.19 N ATOM 1329 N LYS B 270 23.702 25.238 -15.908 1.00 25.96 N ATOM 1330 CA LYS B 270 23.660 23.754 -15.886 1.00 25.42 C ATOM 1331 C LYS B 270 24.307 23.177 -14.660 1.00 23.13 C ATOM 1332 O LYS B 270 25.327 23.662 -14.180 1.00 23.89 O ATOM 1333 CB LYS B 270 24.165 23.159 -17.186 1.00 27.41 C ATOM 1334 CG LYS B 270 23.075 23.335 -18.294 1.00 30.04 C ATOM 1335 CD LYS B 270 23.409 22.360 -19.430 1.00 31.76 C ATOM 1336 CE LYS B 270 22.760 22.767 -20.729 1.00 33.73 C ATOM 1337 NZ LYS B 270 23.177 24.173 -21.086 1.00 34.16 N ATOM 1338 N ALA B 271 23.690 22.215 -14.010 1.00 20.10 N ATOM 1339 CA ALA B 271 24.121 21.511 -12.837 1.00 18.68 C ATOM 1340 C ALA B 271 23.901 20.022 -13.118 1.00 18.37 C ATOM 1341 O ALA B 271 22.978 19.651 -13.871 1.00 18.07 O ATOM 1342 CB ALA B 271 23.576 21.971 -11.501 1.00 17.45 C ATOM 1343 N ILE B 272 24.766 19.196 -12.556 1.00 17.20 N ATOM 1344 CA ILE B 272 24.693 17.766 -12.693 1.00 16.56 C ATOM 1345 C ILE B 272 24.955 17.172 -11.307 1.00 15.54 C ATOM 1346 O ILE B 272 26.101 17.197 -10.842 1.00 15.81 O ATOM 1347 CB ILE B 272 25.666 17.131 -13.765 1.00 16.94 C ATOM 1348 CG1 ILE B 272 25.334 17.602 -15.192 1.00 16.90 C ATOM 1349 CG2 ILE B 272 25.588 15.574 -13.646 1.00 15.47 C ATOM 1350 CD1 ILE B 272 26.517 17.843 -16.143 1.00 16.66 C ATOM 1351 N GLY B 273 23.919 16.602 -10.716 1.00 14.63 N ATOM 1352 CA GLY B 273 24.186 16.007 -9.378 1.00 14.83 C ATOM 1353 C GLY B 273 23.073 15.140 -8.908 1.00 14.39 C ATOM 1354 O GLY B 273 22.272 14.723 -9.736 1.00 15.14 O ATOM 1355 N THR B 274 23.108 14.886 -7.638 1.00 14.75 N ATOM 1356 CA THR B 274 22.149 14.077 -6.899 1.00 14.99 C ATOM 1357 C THR B 274 20.856 14.795 -6.690 1.00 14.85 C ATOM 1358 O THR B 274 20.956 15.968 -6.270 1.00 16.74 O ATOM 1359 CB THR B 274 22.790 13.610 -5.526 1.00 15.27 C ATOM 1360 OG1 THR B 274 23.916 12.839 -6.060 1.00 17.19 O ATOM 1361 CG2 THR B 274 21.945 12.643 -4.679 1.00 16.18 C ATOM 1362 N VAL B 275 19.741 14.154 -6.955 1.00 13.22 N ATOM 1363 CA VAL B 275 18.409 14.690 -6.817 1.00 13.89 C ATOM 1364 C VAL B 275 17.599 13.654 -6.031 1.00 13.78 C ATOM 1365 O VAL B 275 17.733 12.457 -6.296 1.00 13.31 O ATOM 1366 CB VAL B 275 17.801 14.922 -8.214 1.00 15.15 C ATOM 1367 CG1 VAL B 275 16.304 15.015 -8.194 1.00 15.53 C ATOM 1368 CG2 VAL B 275 18.469 16.067 -8.973 1.00 14.53 C ATOM 1369 N LEU B 276 16.862 14.104 -5.088 1.00 13.97 N ATOM 1370 CA LEU B 276 16.034 13.267 -4.211 1.00 14.51 C ATOM 1371 C LEU B 276 14.586 13.517 -4.649 1.00 14.53 C ATOM 1372 O LEU B 276 14.265 14.678 -5.008 1.00 14.96 O ATOM 1373 CB LEU B 276 16.294 13.667 -2.772 1.00 13.98 C ATOM 1374 CG LEU B 276 17.680 13.628 -2.158 1.00 14.21 C ATOM 1375 CD1 LEU B 276 17.564 13.690 -0.637 1.00 13.30 C ATOM 1376 CD2 LEU B 276 18.271 12.284 -2.621 1.00 13.31 C ATOM 1377 N VAL B 277 13.768 12.471 -4.566 1.00 14.55 N ATOM 1378 CA VAL B 277 12.337 12.599 -4.979 1.00 14.69 C ATOM 1379 C VAL B 277 11.501 11.959 -3.853 1.00 14.83 C ATOM 1380 O VAL B 277 11.782 10.838 -3.413 1.00 14.72 O ATOM 1381 CB VAL B 277 12.279 11.861 -6.333 1.00 15.70 C ATOM 1382 CG1 VAL B 277 10.857 11.437 -6.717 1.00 15.80 C ATOM 1383 CG2 VAL B 277 12.913 12.622 -7.477 1.00 16.08 C ATOM 1384 N GLY B 278 10.527 12.695 -3.362 1.00 15.02 N ATOM 1385 CA GLY B 278 9.662 12.281 -2.253 1.00 16.12 C ATOM 1386 C GLY B 278 8.649 13.415 -2.046 1.00 16.13 C ATOM 1387 O GLY B 278 8.714 14.416 -2.810 1.00 16.45 O ATOM 1388 N PRO B 279 7.849 13.221 -1.024 1.00 16.32 N ATOM 1389 CA PRO B 279 6.791 14.189 -0.673 1.00 16.95 C ATOM 1390 C PRO B 279 7.346 15.477 -0.130 1.00 17.26 C ATOM 1391 O PRO B 279 7.662 15.586 1.052 1.00 18.05 O ATOM 1392 CB PRO B 279 5.970 13.530 0.442 1.00 16.47 C ATOM 1393 CG PRO B 279 6.515 12.161 0.600 1.00 16.38 C ATOM 1394 CD PRO B 279 7.830 12.065 -0.130 1.00 16.13 C ATOM 1395 N THR B 280 7.505 16.453 -0.984 1.00 18.26 N ATOM 1396 CA THR B 280 7.981 17.775 -0.520 1.00 17.92 C ATOM 1397 C THR B 280 6.920 18.764 -0.868 1.00 18.01 C ATOM 1398 O THR B 280 6.261 18.639 -1.937 1.00 18.89 O ATOM 1399 CB THR B 280 9.393 18.034 -1.180 1.00 18.23 C ATOM 1400 OG1 THR B 280 9.922 19.284 -0.549 1.00 18.89 O ATOM 1401 CG2 THR B 280 9.366 18.156 -2.692 1.00 18.38 C ATOM 1402 N PRO B 281 6.732 19.751 -0.019 1.00 18.58 N ATOM 1403 CA PRO B 281 5.755 20.832 -0.274 1.00 18.24 C ATOM 1404 C PRO B 281 5.980 21.495 -1.617 1.00 18.28 C ATOM 1405 O PRO B 281 5.010 21.950 -2.281 1.00 19.05 O ATOM 1406 CB PRO B 281 5.924 21.735 0.918 1.00 18.50 C ATOM 1407 CG PRO B 281 6.416 20.790 1.995 1.00 18.73 C ATOM 1408 CD PRO B 281 7.453 19.940 1.270 1.00 18.40 C ATOM 1409 N VAL B 282 7.242 21.678 -2.015 1.00 17.06 N ATOM 1410 CA VAL B 282 7.705 22.255 -3.242 1.00 17.00 C ATOM 1411 C VAL B 282 9.112 21.724 -3.560 1.00 15.52 C ATOM 1412 O VAL B 282 9.797 21.279 -2.624 1.00 14.90 O ATOM 1413 CB VAL B 282 7.885 23.807 -3.151 1.00 18.46 C ATOM 1414 CG1 VAL B 282 6.553 24.459 -2.830 1.00 18.88 C ATOM 1415 CG2 VAL B 282 8.906 24.116 -2.070 1.00 17.24 C ATOM 1416 N ASN B 283 9.442 21.852 -4.804 1.00 14.47 N ATOM 1417 CA ASN B 283 10.747 21.463 -5.340 1.00 13.73 C ATOM 1418 C ASN B 283 11.758 22.376 -4.651 1.00 13.01 C ATOM 1419 O ASN B 283 11.525 23.580 -4.547 1.00 14.42 O ATOM 1420 CB ASN B 283 10.790 21.595 -6.879 1.00 13.74 C ATOM 1421 CG ASN B 283 9.765 20.775 -7.594 1.00 14.08 C ATOM 1422 OD1 ASN B 283 9.707 19.566 -7.350 1.00 14.87 O ATOM 1423 ND2 ASN B 283 9.004 21.305 -8.578 1.00 13.69 N ATOM 1424 N ILE B 284 12.807 21.828 -4.127 1.00 12.99 1 N ATOM 1425 CA ILE B 284 13.809 22.604 -3.373 1.00 11.71 1 C ATOM 1426 C ILE B 284 15.191 22.270 -3.951 1.00 12.40 1 C ATOM 1427 O ILE B 284 15.524 21.140 -4.171 1.00 12.70 1 O ATOM 1428 CB ILE B 284 13.661 22.154 -1.885 1.00 10.98 1 C ATOM 1429 CG11ILE B 284 14.100 20.767 -1.499 0.50 10.50 1 C ATOM 1430 CG12ILE B 284 12.508 22.815 -1.126 0.50 10.93 1 C ATOM 1431 CG21ILE B 284 12.199 22.394 -1.376 0.50 11.53 1 C ATOM 1432 CG22ILE B 284 15.021 22.262 -1.105 0.50 10.68 1 C ATOM 1433 CD11ILE B 284 14.068 20.655 0.096 0.50 9.56 1 C ATOM 1434 CD12ILE B 284 12.039 22.002 0.126 0.50 9.87 1 C ATOM 1435 N ILE B 285 15.969 23.286 -4.218 1.00 13.09 N ATOM 1436 CA ILE B 285 17.342 23.176 -4.722 1.00 13.04 C ATOM 1437 C ILE B 285 18.184 23.421 -3.483 1.00 13.14 C ATOM 1438 O ILE B 285 18.133 24.518 -2.832 1.00 13.57 O ATOM 1439 CB ILE B 285 17.456 24.209 -5.919 1.00 13.38 C ATOM 1440 CG1 ILE B 285 16.419 23.888 -6.978 1.00 14.22 C ATOM 1441 CG2 ILE B 285 18.928 24.282 -6.388 1.00 13.01 C ATOM 1442 CD1 ILE B 285 16.618 22.687 -7.951 1.00 13.74 C ATOM 1443 N GLY B 286 18.877 22.392 -3.008 1.00 11.93 N ATOM 1444 CA GLY B 286 19.705 22.414 -1.819 1.00 9.79 C ATOM 1445 C GLY B 286 21.121 22.830 -2.137 1.00 9.79 C ATOM 1446 O GLY B 286 21.469 23.023 -3.302 1.00 10.27 O ATOM 1447 N ARG B 287 21.951 22.923 -1.116 1.00 8.80 N ATOM 1448 CA ARG B 287 23.345 23.354 -1.253 1.00 9.31 C ATOM 1449 C ARG B 287 24.128 22.437 -2.199 1.00 9.37 C ATOM 1450 O ARG B 287 25.062 22.974 -2.766 1.00 8.60 O ATOM 1451 CB ARG B 287 23.992 23.345 0.130 1.00 8.39 C ATOM 1452 CG ARG B 287 23.388 24.359 1.116 1.00 7.95 C ATOM 1453 CD ARG B 287 24.286 24.437 2.317 1.00 8.57 C ATOM 1454 NE ARG B 287 24.265 23.219 3.109 1.00 9.91 N ATOM 1455 CZ ARG B 287 25.265 22.292 3.103 1.00 9.70 C ATOM 1456 NH1 ARG B 287 25.147 21.168 3.836 1.00 9.80 N ATOM 1457 NH2 ARG B 287 26.351 22.544 2.481 1.00 8.98 N ATOM 1458 N ASN B 288 23.667 21.204 -2.436 1.00 9.10 N ATOM 1459 CA ASN B 288 24.525 20.384 -3.376 1.00 11.68 C ATOM 1460 C ASN B 288 24.597 20.977 -4.761 1.00 12.26 C ATOM 1461 O ASN B 288 25.582 20.829 -5.526 1.00 13.34 O ATOM 1462 CB ASN B 288 24.163 18.914 -3.342 1.00 11.72 C ATOM 1463 CG ASN B 288 22.871 18.564 -4.007 1.00 12.41 C ATOM 1464 OD1 ASN B 288 21.858 19.171 -3.651 1.00 13.52 O ATOM 1465 ND2 ASN B 288 22.773 17.711 -5.042 1.00 13.01 N ATOM 1466 N LEU B 289 23.512 21.574 -5.205 1.00 12.92 N ATOM 1467 CA LEU B 289 23.388 22.156 -6.551 1.00 11.79 C ATOM 1468 C LEU B 289 23.667 23.653 -6.479 1.00 12.40 C ATOM 1469 O LEU B 289 24.169 24.208 -7.472 1.00 12.41 O ATOM 1470 CB LEU B 289 22.101 21.708 -7.149 1.00 11.84 C ATOM 1471 CG LEU B 289 21.788 20.268 -7.419 1.00 12.95 C ATOM 1472 CD1 LEU B 289 20.650 20.162 -8.482 1.00 12.27 C ATOM 1473 CD2 LEU B 289 23.039 19.566 -8.011 1.00 10.68 C ATOM 1474 N LEU B 290 23.372 24.266 -5.350 1.00 13.35 N ATOM 1475 CA LEU B 290 23.578 25.715 -5.191 1.00 14.33 C ATOM 1476 C LEU B 290 25.067 26.028 -5.352 1.00 13.98 C ATOM 1477 O LEU B 290 25.358 27.074 -5.933 1.00 15.57 O ATOM 1478 CB LEU B 290 22.944 26.197 -3.877 1.00 12.48 C ATOM 1479 CG LEU B 290 21.424 26.295 -3.807 1.00 12.55 C ATOM 1480 CD1 LEU B 290 20.961 26.625 -2.391 1.00 11.33 C ATOM 1481 CD2 LEU B 290 20.860 27.294 -4.787 1.00 10.49 C ATOM 1482 N THR B 291 25.967 25.206 -4.831 1.00 14.78 N ATOM 1483 CA THR B 291 27.375 25.416 -4.893 1.00 14.65 C ATOM 1484 C THR B 291 27.870 25.194 -6.325 1.00 15.19 C ATOM 1485 O THR B 291 28.885 25.785 -6.664 1.00 15.45 O ATOM 1486 CB THR B 291 28.244 24.570 -3.903 1.00 14.69 C ATOM 1487 OG1 THR B 291 27.764 23.184 -4.125 1.00 16.37 O ATOM 1488 CG2 THR B 291 28.095 24.906 -2.450 1.00 15.04 C ATOM 1489 N GLN B 292 27.197 24.384 -7.072 1.00 13.95 N ATOM 1490 CA GLN B 292 27.512 24.050 -8.467 1.00 13.86 C ATOM 1491 C GLN B 292 27.218 25.218 -9.371 1.00 14.20 C ATOM 1492 O GLN B 292 27.891 25.345 -10.442 1.00 16.83 O ATOM 1493 CB GLN B 292 26.692 22.829 -8.913 1.00 13.97 C ATOM 1494 CG GLN B 292 27.312 21.528 -8.475 1.00 13.55 C ATOM 1495 CD GLN B 292 26.899 20.473 -9.489 1.00 14.83 C ATOM 1496 OE1 GLN B 292 26.522 20.829 -10.620 1.00 15.41 O ATOM 1497 NE2 GLN B 292 26.820 19.247 -9.002 1.00 13.50 N ATOM 1498 N ILE B 293 26.224 26.032 -9.039 1.00 13.78 N ATOM 1499 CA ILE B 293 25.954 27.209 -9.910 1.00 13.16 C ATOM 1500 C ILE B 293 26.594 28.464 -9.341 1.00 14.45 C ATOM 1501 O ILE B 293 26.334 29.601 -9.853 1.00 17.23 O ATOM 1502 CB ILE B 293 24.408 27.408 -10.137 1.00 11.58 C ATOM 1503 CG1 ILE B 293 23.778 27.669 -8.727 1.00 10.45 C ATOM 1504 CG2 ILE B 293 23.717 26.282 -10.892 1.00 10.29 C ATOM 1505 CD1 ILE B 293 22.537 28.621 -8.869 1.00 12.19 C ATOM 1506 N GLY B 294 27.318 28.348 -8.262 1.00 14.45 N ATOM 1507 CA GLY B 294 28.039 29.424 -7.621 1.00 14.41 C ATOM 1508 C GLY B 294 27.186 30.322 -6.748 1.00 14.49 C ATOM 1509 O GLY B 294 27.541 31.492 -6.557 1.00 13.74 O ATOM 1510 N CYS B 295 26.134 29.794 -6.163 1.00 14.79 1 N ATOM 1511 CA CYS B 295 25.317 30.645 -5.261 1.00 15.40 1 C ATOM 1512 C CYS B 295 25.957 30.925 -3.919 1.00 16.42 1 C ATOM 1513 O CYS B 295 26.421 30.001 -3.151 1.00 18.15 1 O ATOM 1514 CB CYS B 295 23.999 29.894 -5.039 1.00 15.53 1 C ATOM 1515 SG 1CYS B 295 22.490 30.807 -4.959 0.50 15.87 1 S ATOM 1516 SG 2CYS B 295 22.901 30.933 -4.011 0.50 12.55 1 S ATOM 1517 N THR B 296 25.870 32.210 -3.513 1.00 15.50 N ATOM 1518 CA THR B 296 26.332 32.631 -2.186 1.00 15.07 C ATOM 1519 C THR B 296 25.258 33.524 -1.551 1.00 14.77 C ATOM 1520 O THR B 296 24.454 34.097 -2.264 1.00 12.98 O ATOM 1521 CB THR B 296 27.691 33.419 -2.258 1.00 14.64 C ATOM 1522 OG1 THR B 296 27.290 34.670 -2.950 1.00 13.91 O ATOM 1523 CG2 THR B 296 28.772 32.689 -3.070 1.00 14.74 C ATOM 1524 N LEU B 297 25.274 33.517 -0.236 1.00 15.42 1 N ATOM 1525 CA LEU B 297 24.359 34.385 0.565 1.00 16.08 1 C ATOM 1526 C LEU B 297 25.221 35.650 0.889 1.00 18.16 1 C ATOM 1527 O LEU B 297 26.410 35.407 1.275 1.00 17.03 1 O ATOM 1528 CB LEU B 297 24.069 33.586 1.815 1.00 16.72 1 C ATOM 1529 CG 1LEU B 297 22.950 32.613 1.927 0.50 15.65 1 C ATOM 1530 CG 2LEU B 297 22.758 33.656 2.539 0.50 16.90 1 C ATOM 1531 CD11LEU B 297 23.089 31.821 3.232 0.50 15.92 1 C ATOM 1532 CD12LEU B 297 21.576 33.784 1.576 0.50 17.00 1 C ATOM 1533 CD21LEU B 297 21.617 33.364 1.957 0.50 16.44 1 C ATOM 1534 CD22LEU B 297 22.611 32.454 3.451 0.50 16.66 1 C ATOM 1535 N ASN B 298 24.698 36.867 0.674 1.00 17.52 1 N ATOM 1536 CA ASN B 298 25.505 38.047 0.971 1.00 20.09 1 C ATOM 1537 C ASN B 298 24.719 39.038 1.833 1.00 21.29 1 C ATOM 1538 O ASN B 298 23.515 39.247 1.649 1.00 20.38 1 O ATOM 1539 CB ASN B 298 25.883 38.777 -0.390 1.00 21.09 1 C ATOM 1540 CG ASN B 298 26.659 37.766 -1.225 1.00 22.25 1 C ATOM 1541 OD11ASN B 298 27.739 37.330 -0.765 0.50 21.81 1 O ATOM 1542 OD12ASN B 298 26.010 36.942 -1.923 0.50 22.12 1 O ATOM 1543 ND21ASN B 298 26.071 37.337 -2.326 0.50 22.30 1 N ATOM 1544 ND22ASN B 298 27.973 37.792 -1.141 0.50 22.22 1 N ATOM 1545 N PHE B 299 25.397 39.713 2.732 1.00 23.37 N ATOM 1546 CA PHE B 299 24.738 40.750 3.567 1.00 24.56 C ATOM 1547 C PHE B 299 25.880 41.523 4.250 1.00 25.66 C ATOM 1548 O PHE B 299 25.531 42.536 4.873 1.00 26.22 O ATOM 1549 CB PHE B 299 23.724 40.233 4.569 1.00 25.28 C ATOM 1550 CG PHE B 299 24.258 39.275 5.579 1.00 25.05 C ATOM 1551 CD1 PHE B 299 24.480 39.664 6.883 1.00 25.94 C ATOM 1552 CD2 PHE B 299 24.583 37.979 5.194 1.00 26.32 C ATOM 1553 CE1 PHE B 299 24.998 38.775 7.826 1.00 26.11 C ATOM 1554 CE2 PHE B 299 25.100 37.061 6.123 1.00 26.32 C ATOM 1555 CZ PHE B 299 25.286 37.478 7.443 1.00 25.96 C ATOM 1556 OXT PHE B 299 27.001 40.997 4.109 1.00 26.77 O ATOM 1558 C 1ACE C 1 4.949 27.758 6.793 0.58 16.95 C ATOM 1559 O 1ACE C 1 4.800 26.678 7.393 0.58 16.85 O ATOM 1560 CH31ACE C 1 4.171 29.012 7.116 0.58 17.27 C ATOM 1561 N 1VAL C 2 5.930 27.841 5.869 0.58 16.43 N ATOM 1562 CA 1VAL C 2 6.688 26.574 5.627 0.58 16.04 C ATOM 1563 C 1VAL C 2 8.183 26.793 5.860 0.58 16.17 C ATOM 1564 O 1VAL C 2 8.690 27.910 5.675 0.58 16.57 O ATOM 1565 CB 1VAL C 2 6.529 26.178 4.139 0.58 15.92 C ATOM 1566 CG11VAL C 2 7.686 25.256 3.685 0.58 15.51 C ATOM 1567 CG21VAL C 2 5.166 25.563 3.805 0.58 16.10 C ATOM 1568 N 1VAL C 3 8.838 25.670 6.185 0.58 15.53 N ATOM 1569 CA 1VAL C 3 10.301 25.689 6.434 0.58 15.10 C ATOM 1570 C 1VAL C 3 10.978 24.553 5.700 0.58 15.34 C ATOM 1571 O 1VAL C 3 10.569 23.386 5.717 0.58 14.41 O ATOM 1572 CB 1VAL C 3 10.418 25.590 7.983 0.58 15.38 C ATOM 1573 CG11VAL C 3 11.799 25.185 8.480 0.58 15.02 C ATOM 1574 CG21VAL C 3 9.895 26.911 8.621 0.58 14.68 C HETATM 1575 N 1STA C 4 12.126 24.878 5.008 0.58 15.30 N HETATM 1576 CA 1STA C 4 12.846 23.643 4.497 0.58 15.64 C HETATM 1577 CB 1STA C 4 12.228 23.417 3.092 0.58 14.66 C HETATM 1578 CG 1STA C 4 10.775 23.868 2.843 0.58 14.76 C HETATM 1579 CD11STA C 4 10.485 24.264 1.386 0.58 14.53 C HETATM 1580 CD21STA C 4 9.706 22.846 3.326 0.58 15.42 C HETATM 1581 CH 1STA C 4 14.377 23.783 4.659 0.58 16.09 C HETATM 1582 OH 1STA C 4 14.690 25.086 5.214 0.58 15.48 O HETATM 1583 CM 1STA C 4 15.073 22.755 5.634 0.58 16.56 C HETATM 1584 C 1STA C 4 14.767 21.286 5.304 0.58 16.67 C HETATM 1585 O 1STA C 4 13.666 20.739 5.524 0.58 16.86 O ATOM 1586 N 1ALA C 5 15.827 20.674 4.766 0.58 16.24 N ATOM 1587 CA 1ALA C 5 16.227 19.282 5.045 0.58 16.23 C ATOM 1588 C 1ALA C 5 17.704 19.162 5.397 0.58 16.01 C ATOM 1589 O 1ALA C 5 18.657 19.738 4.855 0.58 15.55 O ATOM 1590 CB 1ALA C 5 15.855 18.433 3.797 0.58 16.43 C HETATM 1591 N 1STA C 6 17.913 18.389 6.465 0.58 16.21 N HETATM 1592 CA 1STA C 6 19.216 17.934 6.952 0.58 16.90 C HETATM 1593 CB 1STA C 6 19.416 18.441 8.425 0.58 16.80 C HETATM 1594 CG 1STA C 6 19.492 19.988 8.585 0.58 16.54 C HETATM 1595 CD11STA C 6 18.069 20.593 8.553 0.58 16.56 C HETATM 1596 CD21STA C 6 20.246 20.404 9.854 0.58 16.39 C HETATM 1597 CH 1STA C 6 19.248 16.400 6.717 0.58 17.28 C HETATM 1598 OH 1STA C 6 18.083 15.745 7.288 0.58 18.45 O HETATM 1599 CM 1STA C 6 19.317 15.994 5.211 0.58 16.63 C HETATM 1600 C 1STA C 6 20.347 14.858 5.001 0.58 16.77 C HETATM 1601 O 1STA C 6 20.936 14.302 5.936 0.58 16.53 O HETATM 1602 OXT1STA C 6 20.573 14.552 3.703 0.58 16.89 O ATOM 1603 C 2ACE C 1 19.663 15.657 6.261 0.42 18.88 C ATOM 1604 O 2ACE C 1 18.768 14.830 6.422 0.42 18.41 O ATOM 1605 CH32ACE C 1 21.086 15.170 5.853 0.42 18.90 C ATOM 1606 N 2VAL C 2 19.579 16.978 6.423 0.42 18.72 N ATOM 1607 CA 2VAL C 2 18.393 17.753 6.824 0.42 18.71 C ATOM 1608 C 2VAL C 2 18.101 18.853 5.793 0.42 18.43 C ATOM 1609 O 2VAL C 2 18.939 19.560 5.243 0.42 18.17 O ATOM 1610 CB 2VAL C 2 18.553 18.354 8.247 0.42 18.95 C ATOM 1611 CG12VAL C 2 17.633 19.570 8.512 0.42 19.16 C ATOM 1612 CG22VAL C 2 18.320 17.314 9.370 0.42 18.90 C ATOM 1613 N 2VAL C 3 16.796 18.974 5.525 0.42 18.46 N ATOM 1614 CA 2VAL C 3 16.297 19.938 4.510 0.42 18.90 C ATOM 1615 C 2VAL C 3 15.234 20.788 5.209 0.42 19.17 C ATOM 1616 O 2VAL C 3 14.234 20.296 5.765 0.42 19.76 O ATOM 1617 CB 2VAL C 3 15.720 19.142 3.307 0.42 18.77 C ATOM 1618 CG12VAL C 3 14.739 19.932 2.422 0.42 18.88 C ATOM 1619 CG22VAL C 3 16.820 18.531 2.399 0.42 18.85 C HETATM 1620 N 2STA C 4 15.468 22.108 5.234 0.42 19.16 N HETATM 1621 CA 2STA C 4 14.510 22.962 6.010 0.42 19.17 C HETATM 1622 CB 2STA C 4 15.243 23.319 7.324 0.42 18.08 C HETATM 1623 CG 2STA C 4 15.448 22.213 8.387 0.42 17.45 C HETATM 1624 CD12STA C 4 16.666 22.520 9.291 0.42 16.99 C HETATM 1625 CD22STA C 4 14.185 21.975 9.242 0.42 16.75 C HETATM 1626 CH 2STA C 4 14.126 24.132 5.060 0.42 19.64 C HETATM 1627 OH 2STA C 4 14.996 24.019 3.889 0.42 18.69 O HETATM 1628 CM 2STA C 4 12.654 24.175 4.554 0.42 20.41 C HETATM 1629 C 2STA C 4 11.557 24.225 5.627 0.42 21.24 C HETATM 1630 O 2STA C 4 11.181 23.263 6.308 0.42 20.56 O ATOM 1631 N 2ALA C 5 10.971 25.421 5.774 0.42 21.84 N ATOM 1632 CA 2ALA C 5 9.726 25.622 6.544 0.42 22.35 C ATOM 1633 C 2ALA C 5 8.709 26.437 5.751 0.42 23.07 C ATOM 1634 O 2ALA C 5 8.950 27.538 5.213 0.42 23.24 O ATOM 1635 CB 2ALA C 5 10.062 26.418 7.834 0.42 22.40 C HETATM 1636 N 2STA C 6 7.475 25.908 5.659 0.42 23.43 N HETATM 1637 CA 2STA C 6 6.456 26.682 4.907 0.42 24.33 C HETATM 1638 CB 2STA C 6 6.008 25.836 3.690 0.42 24.52 C HETATM 1639 CG 2STA C 6 6.817 26.025 2.369 0.42 24.54 C HETATM 1640 CD12STA C 6 8.159 25.237 2.388 0.42 24.63 C HETATM 1641 CD22STA C 6 5.967 25.606 1.160 0.42 24.48 C HETATM 1642 CH 2STA C 6 5.385 27.134 5.927 0.42 24.90 C HETATM 1643 OH 2STA C 6 4.742 25.961 6.471 0.42 25.11 O HETATM 1644 CM 2STA C 6 5.908 28.009 7.114 0.42 25.41 C HETATM 1645 C 2STA C 6 4.783 28.970 7.590 0.42 25.57 C HETATM 1646 O 2STA C 6 3.613 28.832 7.209 0.42 25.84 O HETATM 1647 OXT2STA C 6 5.185 29.974 8.416 0.42 25.36 O HETATM 1648 O 2HOH 301 19.609 8.256 -11.680 0.50 3.60 2 O HETATM 1649 O 1HOH 302 14.145 4.715 -12.845 0.50 7.49 2 O HETATM 1650 O 1HOH 303 21.544 13.584 -0.953 0.42 6.33 2 O HETATM 1651 O 1HOH 304 20.414 7.240 -10.171 0.50 7.84 2 O HETATM 1652 O 2HOH 305 20.529 42.533 20.710 0.50 10.37 2 O HETATM 1653 O HOH 306 21.990 23.978 4.762 1.00 11.52 O HETATM 1654 O 1HOH 307 13.865 21.580 19.676 0.50 12.33 2 O HETATM 1655 O HOH 308 11.556 20.972 6.581 1.00 12.08 O HETATM 1656 O HOH 309 28.232 21.435 6.662 1.00 13.48 O HETATM 1657 O 2HOH 310 24.438 43.839 18.167 0.50 14.61 2 O HETATM 1658 O 2HOH 311 2.156 30.151 8.432 0.42 13.36 2 O HETATM 1659 O 2HOH 312 12.913 5.625 -11.946 0.50 17.13 2 O HETATM 1660 O HOH 313 20.992 22.291 6.269 1.00 16.90 O HETATM 1661 O HOH 314 16.396 40.359 1.094 1.00 15.76 O HETATM 1662 O 2HOH 315 13.061 22.336 21.051 0.50 16.22 2 O HETATM 1663 O 1HOH 316 22.604 15.472 -1.686 0.58 15.28 2 O HETATM 1664 O HOH 317 28.048 15.513 -11.350 1.00 17.32 O HETATM 1665 O HOH 318 16.186 45.185 -0.190 1.00 17.30 O HETATM 1666 O 2HOH 319 22.226 14.605 2.457 0.50 16.36 2 O HETATM 1667 O HOH 320 10.125 40.156 5.370 1.00 17.05 O HETATM 1668 O HOH 321 20.490 16.097 -3.172 1.00 17.33 O HETATM 1669 O HOH 322 16.332 28.397 21.360 1.00 18.08 O HETATM 1670 O HOH 323 30.893 26.875 -10.090 1.00 18.52 O HETATM 1671 O HOH 324 11.138 30.992 1.336 1.00 18.93 O HETATM 1672 O HOH 325 16.630 42.699 2.271 1.00 20.58 O HETATM 1673 O HOH 326 28.539 28.580 -2.558 1.00 19.02 O HETATM 1674 O HOH 327 14.805 29.343 28.071 1.00 20.30 O HETATM 1675 O HOH 328 1.644 36.373 18.428 1.00 21.62 O HETATM 1676 O HOH 329 14.451 45.047 11.620 1.00 22.76 O HETATM 1677 O 2HOH 330 19.503 40.262 21.157 0.50 22.77 2 O HETATM 1678 O HOH 331 16.938 45.838 11.029 1.00 25.82 O HETATM 1679 O HOH 332 9.692 28.730 2.191 1.00 23.06 O HETATM 1680 O HOH 333 11.714 39.207 -3.092 1.00 24.66 O HETATM 1681 O HOH 334 25.412 12.832 -8.558 1.00 24.20 O HETATM 1682 O HOH 335 10.378 18.322 14.455 1.00 25.44 O HETATM 1683 CL CL 336 25.517 16.297 -6.059 1.00 25.69 CL HETATM 1684 O HOH 337 4.199 38.495 21.414 1.00 26.56 O HETATM 1685 O HOH 338 12.888 36.305 -3.863 1.00 26.82 O HETATM 1686 O HOH 339 17.128 16.768 -17.355 1.00 26.33 O HETATM 1687 O HOH 340 6.079 14.061 -4.567 1.00 27.10 O HETATM 1688 O HOH 341 32.239 26.863 7.115 1.00 27.56 O HETATM 1689 O HOH 342 28.515 27.966 4.557 1.00 27.34 O HETATM 1690 CL CL 343 8.030 39.142 10.823 1.00 27.91 CL HETATM 1691 O HOH 344 9.613 38.213 4.224 1.00 28.60 O HETATM 1692 O HOH 345 8.529 35.703 5.266 1.00 26.67 O HETATM 1693 O HOH 346 9.292 17.708 -9.559 1.00 27.52 O HETATM 1694 O HOH 347 6.818 23.257 -10.636 1.00 27.35 O HETATM 1695 O HOH 348 5.002 16.182 -3.395 1.00 29.66 O HETATM 1696 O HOH 349 20.127 7.565 4.667 1.00 28.84 O HETATM 1697 O HOH 350 6.407 34.773 -0.905 1.00 27.81 O HETATM 1698 O 2HOH 351 26.692 38.809 20.152 0.50 29.74 2 O HETATM 1699 O HOH 352 22.849 26.978 20.179 1.00 29.24 O HETATM 1700 O HOH 353 6.659 25.399 21.439 1.00 29.33 O HETATM 1701 O HOH 354 14.031 31.541 -13.122 1.00 29.49 O HETATM 1702 O HOH 355 27.828 32.015 -10.716 1.00 31.25 O HETATM 1703 O HOH 356 27.212 18.681 -5.983 1.00 31.03 O HETATM 1704 O HOH 357 4.159 19.858 17.527 1.00 31.76 O HETATM 1705 O HOH 358 20.873 -1.616 -5.508 1.00 32.98 O HETATM 1706 O HOH 359 7.475 36.699 2.155 1.00 32.16 O HETATM 1707 O HOH 360 27.586 20.757 -1.306 1.00 30.93 O HETATM 1708 O HOH 361 6.483 20.469 -9.813 1.00 32.59 O HETATM 1709 O HOH 362 7.191 15.718 3.496 1.00 32.60 O HETATM 1710 O HOH 363 6.779 39.788 22.081 1.00 35.86 O HETATM 1711 O HOH 364 28.250 34.103 -5.656 1.00 34.06 O HETATM 1712 O HOH 365 4.014 31.299 -2.383 1.00 34.12 O HETATM 1713 O HOH 366 24.900 39.886 -7.771 1.00 35.93 O HETATM 1714 O HOH 367 25.276 19.601 0.359 1.00 33.76 O HETATM 1715 O HOH 368 0.744 34.210 25.756 1.00 35.37 O HETATM 1716 O HOH 369 20.331 1.241 -6.790 1.00 34.76 O HETATM 1717 O HOH 370 14.813 16.187 11.513 1.00 33.52 O HETATM 1718 O HOH 371 11.105 32.356 -12.040 1.00 36.20 O HETATM 1719 O HOH 372 17.164 39.941 22.236 1.00 36.67 O HETATM 1720 O 1HOH 373 18.856 42.804 22.226 0.50 26.65 2 O HETATM 1721 O HOH 374 7.773 24.045 -6.218 1.00 36.71 O HETATM 1722 O HOH 375 10.617 6.038 -1.435 1.00 38.25 O HETATM 1723 O HOH 376 17.714 20.272 -18.200 1.00 39.33 O HETATM 1724 O HOH 377 28.648 20.641 -3.619 1.00 36.83 O HETATM 1725 O HOH 378 8.255 8.857 1.602 1.00 39.95 O HETATM 1726 O HOH 379 4.627 22.272 -7.158 1.00 38.02 O HETATM 1727 O HOH 380 33.132 40.146 5.257 1.00 39.23 O HETATM 1728 O HOH 381 25.986 26.500 -19.146 1.00 38.51 O HETATM 1729 O HOH 382 7.741 22.352 -20.071 1.00 41.04 O HETATM 1730 O HOH 383 21.532 6.178 -8.055 1.00 39.97 O HETATM 1731 O HOH 384 4.681 23.216 20.780 1.00 37.57 O HETATM 1732 O HOH 385 12.520 3.839 -14.192 1.00 40.11 O HETATM 1733 O HOH 386 31.006 27.199 2.955 1.00 37.81 O HETATM 1734 O HOH 387 16.363 26.835 -16.616 1.00 39.62 O HETATM 1735 O HOH 388 24.771 45.458 -4.999 1.00 40.16 O HETATM 1736 O HOH 389 31.898 30.773 2.921 1.00 40.25 O HETATM 1737 O HOH 390 25.886 18.383 2.355 1.00 43.30 O HETATM 1738 O HOH 391 25.476 38.121 16.824 1.00 40.42 O HETATM 1739 O HOH 392 5.770 29.056 -3.545 1.00 40.24 O HETATM 1740 O HOH 393 19.488 13.412 -16.432 1.00 41.06 O HETATM 1741 O HOH 394 21.319 44.274 0.457 1.00 41.48 O HETATM 1742 O HOH 395 6.843 10.320 -11.022 1.00 43.17 O HETATM 1743 O HOH 396 12.634 41.540 22.091 1.00 40.77 O HETATM 1744 O HOH 397 6.459 16.502 -11.197 1.00 41.45 O HETATM 1745 O HOH 398 15.253 36.377 -9.637 1.00 39.10 O HETATM 1746 O HOH 399 28.625 37.031 -5.352 1.00 42.77 O HETATM 1747 O HOH 400 8.831 34.292 -6.159 1.00 43.18 O HETATM 1748 O HOH 401 5.493 13.906 4.165 1.00 42.14 O HETATM 1749 O HOH 402 9.801 8.891 -3.116 1.00 42.42 O HETATM 1750 O HOH 403 14.021 44.353 -3.403 1.00 40.40 O HETATM 1751 O HOH 404 8.655 16.686 -21.639 1.00 44.77 O HETATM 1752 O HOH 405 5.632 16.270 14.842 1.00 44.62 O HETATM 1753 O HOH 406 5.260 33.466 1.411 1.00 45.78 O HETATM 1754 O HOH 407 22.083 3.712 -7.841 1.00 45.29 O HETATM 1755 O HOH 408 21.015 25.185 16.148 1.00 45.07 O HETATM 1756 O HOH 409 29.887 27.688 14.520 1.00 43.62 O HETATM 1757 O HOH 410 26.275 9.711 -3.949 1.00 49.36 O HETATM 1758 O HOH 411 10.883 7.172 -12.465 1.00 46.19 O HETATM 1759 O HOH 412 7.205 40.859 14.928 1.00 47.41 O HETATM 1760 O HOH 413 12.764 5.053 -0.304 1.00 50.56 O HETATM 1761 O HOH 414 9.344 4.655 -4.396 1.00 48.68 O HETATM 1762 O HOH 415 12.655 37.357 -6.615 1.00 47.87 O HETATM 1763 O HOH 416 19.610 26.505 21.044 1.00 48.34 O HETATM 1764 O 1HOH 417 21.004 14.012 8.331 0.58 40.50 2 O HETATM 1765 O HOH 418 6.733 20.961 21.723 1.00 52.72 O HETATM 1766 O HOH 419 16.070 21.444 -24.165 1.00 49.16 O HETATM 1767 O HOH 420 8.910 16.906 15.590 1.00 49.88 O HETATM 1768 O HOH 421 22.527 45.937 5.985 1.00 48.55 O HETATM 1769 O HOH 422 20.436 23.403 21.573 1.00 51.10 O HETATM 1770 O HOH 423 31.118 30.136 -4.999 1.00 49.20 O HETATM 1771 O HOH 424 13.210 34.486 -7.308 1.00 51.41 O HETATM 1772 O HOH 425 10.762 19.938 -23.526 1.00 51.66 O HETATM 1773 O HOH 426 6.741 40.273 -0.759 1.00 50.77 O HETATM 1774 O HOH 427 32.100 34.057 4.917 1.00 50.70 O HETATM 1775 O HOH 428 21.934 6.817 3.009 1.00 54.33 O HETATM 1776 O HOH 429 22.381 29.129 -20.269 1.00 52.55 O HETATM 1777 O HOH 430 24.564 42.064 -2.572 1.00 49.54 O HETATM 1778 O HOH 431 25.664 6.947 -5.064 1.00 50.54 O HETATM 1779 O HOH 432 7.971 13.332 13.757 1.00 50.51 O HETATM 1780 O HOH 433 19.934 46.439 6.673 1.00 52.28 O HETATM 1781 O HOH 434 21.768 0.286 -3.996 1.00 51.04 O HETATM 1782 O HOH 435 28.418 39.504 -4.907 1.00 54.91 O HETATM 1783 O HOH 436 31.515 29.312 -8.555 1.00 55.72 O HETATM 1784 O HOH 437 29.069 25.318 8.683 1.00 54.42 O HETATM 1785 O HOH 438 21.471 34.236 -14.917 1.00 52.70 O HETATM 1786 O HOH 439 29.320 28.794 7.803 1.00 53.04 O HETATM 1787 O HOH 440 4.229 15.631 11.962 1.00 52.37 O HETATM 1788 O HOH 441 11.002 11.470 12.389 1.00 53.16 O HETATM 1789 O HOH 442 18.146 4.576 3.604 1.00 52.16 O HETATM 1790 O HOH 443 10.346 13.385 -16.341 1.00 53.44 O HETATM 1791 O HOH 444 2.737 25.920 0.429 1.00 54.13 O HETATM 1792 O HOH 445 5.877 33.211 -3.902 1.00 52.25 O HETATM 1793 O HOH 446 1.657 39.855 13.193 1.00 57.40 O HETATM 1794 O HOH 447 28.044 34.368 13.262 1.00 52.39 O HETATM 1795 O HOH 448 14.519 34.117 -11.475 1.00 57.06 O HETATM 1796 O HOH 449 4.065 37.065 11.353 1.00 61.58 O HETATM 1797 O HOH 450 -2.347 35.511 23.276 1.00 58.33 O HETATM 1798 O HOH 451 29.391 36.502 15.127 1.00 57.27 O HETATM 1799 O HOH 452 6.526 13.023 -14.337 1.00 56.35 O HETATM 1800 O HOH 453 18.486 9.101 9.149 1.00 56.86 O HETATM 1801 O HOH 454 1.871 32.853 -0.794 1.00 55.39 O HETATM 1802 O HOH 455 15.348 33.876 27.425 1.00 60.14 O HETATM 1803 O HOH 456 24.620 21.870 11.410 1.00 55.03 O HETATM 1804 O HOH 457 22.645 22.695 14.892 1.00 61.88 O HETATM 1805 O HOH 458 21.000 3.439 -15.064 1.00 55.47 O HETATM 1806 O HOH 459 27.668 25.257 -13.130 1.00 56.85 O HETATM 1807 O HOH 460 12.551 16.056 13.298 1.00 58.82 O HETATM 1808 O HOH 461 26.521 41.124 -3.405 1.00 63.59 O HETATM 1809 O HOH 462 6.096 27.068 -5.213 1.00 58.17 O HETATM 1810 O HOH 463 21.875 7.380 -0.272 1.00 58.23 O HETATM 1811 O HOH 464 -2.584 31.731 23.419 1.00 58.88 O HETATM 1812 O HOH 465 1.175 17.871 14.292 1.00 58.68 O HETATM 1813 O HOH 466 25.304 47.424 17.654 1.00 64.11 O HETATM 1814 O HOH 467 20.744 10.521 5.168 1.00 64.36 O HETATM 1815 O HOH 468 1.783 29.137 4.181 1.00 60.69 O HETATM 1816 O HOH 469 4.853 25.600 -8.919 1.00 59.74 O HETATM 1817 O HOH 470 11.169 34.522 31.326 1.00 63.37 O HETATM 1818 O HOH 471 8.171 28.125 -15.103 1.00 60.67 O HETATM 1819 O HOH 472 22.143 17.188 10.848 1.00 64.29 O MASTER 1001 11 0 0 0 0 0 6 1802 0 0 3 END