HEADER APOPTOSIS 20-JUL-99 1C15 TITLE SOLUTION STRUCTURE OF APAF-1 CARD COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOTIC PROTEASE ACTIVATING FACTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CASPASE RECRUITMENT DOMAIN; COMPND 5 SYNONYM: APAF-1 CARD; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PGEX-2T KEYWDS PROGRAMMED CELL DEATH, APAF, CARD, DED, DD, CASPASE KEYWDS 2 RECRUITMENT DOMAIN, HOMOPHILIC INTERACTION EXPDTA NMR, 16 STRUCTURES AUTHOR P.ZHOU,J.CHOU,R.S.OLEA,J.YUAN,G.WAGNER REVDAT 3 05-APR-00 1C15 1 JRNL REVDAT 2 04-OCT-99 1C15 1 COMPND REVDAT 1 20-SEP-99 1C15 0 JRNL AUTH P.ZHOU,J.CHOU,R.S.OLEA,J.YUAN,G.WAGNER JRNL TITL SOLUTION STRUCTURE OF APAF-1 CARD AND ITS JRNL TITL 2 INTERACTION WITH CASPASE-9 CARD: A STRUCTURAL JRNL TITL 3 BASIS FOR SPECIFIC ADAPTOR/CASPASE INTERACTION. JRNL REF PROC.NATL.ACAD.SCI.USA V. 96 11265 1999 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1C15 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-16) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB . REMARK 100 THE RCSB ID CODE IS RCSB009364. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 1 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM 15N LABELED APAF-1 CARD, REMARK 210 20 MM PHOSPHATE BUFFER, 50 MM REMARK 210 NACL; 1MM 13C LABELED APAF-1 REMARK 210 CARD, 20 MM PHOSPHATE BUFFER, REMARK 210 50 MM NACL; 1MM NON-LABELED REMARK 210 APAF-1 CARD, 20 MM PHOSPHATE REMARK 210 BUFFER, 50 MM NACL; 1MM 13C, REMARK 210 15N LABELED, 80%DEUTERATED REMARK 210 APAF-1 CARD, 20 MM PHOSPHATE REMARK 210 BUFFER, 50 MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, 2D NOESY, REMARK 210 HMQC-J REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA, DMX REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 16 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 16 MET A 1 CB MET A 1 CG -0.474 REMARK 500 16 MET A 1 CG MET A 1 SD -0.643 REMARK 500 16 MET A 1 SD MET A 1 CE -1.137 REMARK 500 16 ASP A 2 CG ASP A 2 OD1 -0.526 REMARK 500 16 ASP A 2 CG ASP A 2 OD2 -0.642 REMARK 500 16 LYS A 4 CD LYS A 4 CE -0.807 REMARK 500 16 LYS A 4 CE LYS A 4 NZ -0.930 REMARK 500 16 ARG A 6 CD ARG A 6 NE -0.691 REMARK 500 16 ARG A 6 CZ ARG A 6 NH1 -0.944 REMARK 500 16 ARG A 6 CZ ARG A 6 NH2 -0.664 REMARK 500 16 ASN A 7 CG ASN A 7 OD1 -0.579 REMARK 500 16 ASN A 7 CG ASN A 7 ND2 -0.592 REMARK 500 16 GLN A 11 CD GLN A 11 OE1 -0.481 REMARK 500 16 GLN A 11 CD GLN A 11 NE2 -0.631 REMARK 500 16 HIS A 12 CE1 HIS A 12 NE2 -0.519 REMARK 500 16 ARG A 13 NE ARG A 13 CZ -0.487 REMARK 500 16 ARG A 13 CZ ARG A 13 NH1 -0.926 REMARK 500 16 GLU A 14 CD GLU A 14 OE1 -0.691 REMARK 500 16 GLU A 14 CD GLU A 14 OE2 -0.643 REMARK 500 16 LEU A 16 CG LEU A 16 CD1 -0.737 REMARK 500 16 LEU A 16 CG LEU A 16 CD2 -0.801 REMARK 500 16 GLU A 17 CD GLU A 17 OE1 -0.699 REMARK 500 16 GLU A 17 CD GLU A 17 OE2 -0.636 REMARK 500 16 LYS A 18 CE LYS A 18 NZ -0.489 REMARK 500 16 ASP A 19 CG ASP A 19 OD1 -0.589 REMARK 500 16 ASP A 19 CG ASP A 19 OD2 -0.523 REMARK 500 16 LYS A 21 CD LYS A 21 CE -0.587 REMARK 500 16 LYS A 21 CE LYS A 21 NZ -0.592 REMARK 500 16 SER A 23 CB SER A 23 OG -0.637 REMARK 500 16 TYR A 24 CG TYR A 24 CD2 -0.684 REMARK 500 16 TYR A 24 CG TYR A 24 CD1 -0.688 REMARK 500 16 TYR A 24 CE1 TYR A 24 CZ -0.672 REMARK 500 16 TYR A 24 CZ TYR A 24 CE2 -0.676 REMARK 500 16 MET A 26 CG MET A 26 SD -0.673 REMARK 500 16 MET A 26 SD MET A 26 CE -0.602 REMARK 500 16 ASP A 27 CG ASP A 27 OD1 -0.608 REMARK 500 16 ASP A 27 CG ASP A 27 OD2 -0.571 REMARK 500 16 HIS A 28 CG HIS A 28 ND1 -0.580 REMARK 500 16 HIS A 28 CE1 HIS A 28 NE2 -1.048 REMARK 500 16 MET A 29 CG MET A 29 SD -0.658 REMARK 500 16 MET A 29 SD MET A 29 CE -1.491 REMARK 500 16 ASP A 32 CG ASP A 32 OD1 -0.514 REMARK 500 16 ASP A 32 CG ASP A 32 OD2 -0.573 REMARK 500 16 PHE A 34 CG PHE A 34 CD2 -0.671 REMARK 500 16 PHE A 34 CG PHE A 34 CD1 -0.662 REMARK 500 16 PHE A 34 CE1 PHE A 34 CZ -0.673 REMARK 500 16 PHE A 34 CZ PHE A 34 CE2 -0.665 REMARK 500 16 LEU A 35 CG LEU A 35 CD1 -0.915 REMARK 500 16 LEU A 35 CG LEU A 35 CD2 -0.854 REMARK 500 16 GLU A 40 CG GLU A 40 CD -0.667 REMARK 500 16 GLU A 40 CD GLU A 40 OE1 -1.135 REMARK 500 16 GLU A 40 CD GLU A 40 OE2 -0.698 REMARK 500 16 GLU A 41 CD GLU A 41 OE1 -0.566 REMARK 500 16 GLU A 41 CD GLU A 41 OE2 -0.752 REMARK 500 16 ARG A 44 CD ARG A 44 NE -0.680 REMARK 500 16 ARG A 44 CZ ARG A 44 NH1 -0.757 REMARK 500 16 ARG A 44 CZ ARG A 44 NH2 -0.651 REMARK 500 16 ASN A 45 CG ASN A 45 OD1 -0.599 REMARK 500 16 ASN A 45 CG ASN A 45 ND2 -0.475 REMARK 500 16 GLU A 46 CG GLU A 46 CD -0.858 REMARK 500 16 GLU A 46 CD GLU A 46 OE1 -0.966 REMARK 500 16 GLU A 46 CD GLU A 46 OE2 -0.807 REMARK 500 16 GLN A 49 CD GLN A 49 OE1 -0.631 REMARK 500 16 GLN A 49 CD GLN A 49 NE2 -0.777 REMARK 500 16 GLN A 50 CB GLN A 50 CG -0.811 REMARK 500 16 GLN A 50 CG GLN A 50 CD -0.500 REMARK 500 16 GLN A 50 CD GLN A 50 OE1 -0.781 REMARK 500 16 GLN A 51 CD GLN A 51 OE1 -0.613 REMARK 500 16 GLN A 51 CD GLN A 51 NE2 -0.581 REMARK 500 16 ARG A 52 CD ARG A 52 NE -0.641 REMARK 500 16 ARG A 52 CZ ARG A 52 NH1 -0.568 REMARK 500 16 ARG A 52 CZ ARG A 52 NH2 -0.623 REMARK 500 16 MET A 55 CG MET A 55 SD -0.558 REMARK 500 16 MET A 55 SD MET A 55 CE -0.769 REMARK 500 16 LYS A 58 CD LYS A 58 CE -0.544 REMARK 500 16 LYS A 58 CE LYS A 58 NZ -0.555 REMARK 500 16 MET A 59 CG MET A 59 SD -0.800 REMARK 500 16 MET A 59 SD MET A 59 CE -0.584 REMARK 500 16 LYS A 62 CD LYS A 62 CE -0.641 REMARK 500 16 LYS A 62 CE LYS A 62 NZ -0.528 REMARK 500 16 LYS A 63 CG LYS A 63 CD -0.957 REMARK 500 16 LYS A 63 CE LYS A 63 NZ -0.824 REMARK 500 16 ASP A 64 CG ASP A 64 OD1 -0.930 REMARK 500 16 ASP A 64 CG ASP A 64 OD2 -0.610 REMARK 500 16 ASP A 66 CG ASP A 66 OD1 -0.621 REMARK 500 16 ASP A 66 CG ASP A 66 OD2 -0.670 REMARK 500 16 TYR A 68 CG TYR A 68 CD2 -0.682 REMARK 500 16 TYR A 68 CG TYR A 68 CD1 -0.686 REMARK 500 16 TYR A 68 CE1 TYR A 68 CZ -0.673 REMARK 500 16 TYR A 68 CZ TYR A 68 CE2 -0.678 REMARK 500 16 PHE A 71 CG PHE A 71 CD2 -0.705 REMARK 500 16 PHE A 71 CG PHE A 71 CD1 -0.655 REMARK 500 16 PHE A 71 CE1 PHE A 71 CZ -0.705 REMARK 500 16 PHE A 71 CZ PHE A 71 CE2 -0.654 REMARK 500 16 TYR A 72 CG TYR A 72 CD2 -0.646 REMARK 500 16 TYR A 72 CG TYR A 72 CD1 -0.653 REMARK 500 16 TYR A 72 CE1 TYR A 72 CZ -0.635 REMARK 500 16 TYR A 72 CZ TYR A 72 CE2 -0.642 REMARK 500 16 ASN A 73 CG ASN A 73 ND2 -0.518 REMARK 500 16 HIS A 77 CG HIS A 77 ND1 -0.537 REMARK 500 16 HIS A 77 CE1 HIS A 77 NE2 -0.950 REMARK 500 16 GLU A 78 CD GLU A 78 OE1 -0.546 REMARK 500 16 GLU A 78 CD GLU A 78 OE2 -0.482 REMARK 500 16 TYR A 80 CG TYR A 80 CD2 -0.691 REMARK 500 16 TYR A 80 CG TYR A 80 CD1 -0.685 REMARK 500 16 TYR A 80 CE1 TYR A 80 CZ -0.679 REMARK 500 16 TYR A 80 CZ TYR A 80 CE2 -0.673 REMARK 500 16 LYS A 81 CD LYS A 81 CE -0.784 REMARK 500 16 ASP A 82 CG ASP A 82 OD1 -0.649 REMARK 500 16 ASP A 82 CG ASP A 82 OD2 -0.634 REMARK 500 16 LEU A 83 CG LEU A 83 CD1 -0.711 REMARK 500 16 LEU A 83 CG LEU A 83 CD2 -0.560 REMARK 500 16 LEU A 86 CG LEU A 86 CD1 -0.670 REMARK 500 16 LEU A 86 CG LEU A 86 CD2 -0.711 REMARK 500 16 HIS A 88 CG HIS A 88 ND1 -0.595 REMARK 500 16 HIS A 88 CE1 HIS A 88 NE2 -0.999 REMARK 500 16 ASP A 89 CG ASP A 89 OD1 -0.579 REMARK 500 16 ASP A 89 CG ASP A 89 OD2 -0.563 REMARK 500 16 SER A 95 CA SER A 95 CB -0.766 REMARK 500 16 SER A 95 C SER A 95 O -0.497 REMARK 500 16 SER A 96 CA SER A 96 CB -0.983 REMARK 500 16 SER A 96 CB SER A 96 OG -0.843 REMARK 500 16 SER A 96 CA SER A 96 C -0.930 REMARK 500 16 SER A 96 C SER A 96 O -0.623 REMARK 500 16 SER A 95 C SER A 96 N -0.839 REMARK 500 16 SER A 97 N SER A 97 CA -0.876 REMARK 500 16 SER A 97 CA SER A 97 CB -1.265 REMARK 500 16 SER A 97 CB SER A 97 OG -0.918 REMARK 500 16 SER A 97 CA SER A 97 C -0.579 REMARK 500 16 SER A 97 C SER A 97 O -0.948 REMARK 500 16 SER A 96 C SER A 97 N -0.647 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 16 ASP A 2 OD1 - CG - OD2 ANGL. DEV. =-45.7 DEGREES REMARK 500 16 LYS A 4 CG - CD - CE ANGL. DEV. = 38.2 DEGREES REMARK 500 16 LYS A 4 CD - CE - NZ ANGL. DEV. = 59.2 DEGREES REMARK 500 16 ARG A 6 NH1 - CZ - NH2 ANGL. DEV. =-60.3 DEGREES REMARK 500 16 ARG A 6 NE - CZ - NH2 ANGL. DEV. = 38.9 DEGREES REMARK 500 16 ASN A 7 OD1 - CG - ND2 ANGL. DEV. =-71.8 DEGREES REMARK 500 16 ASN A 7 CB - CG - ND2 ANGL. DEV. = 38.8 DEGREES REMARK 500 16 GLN A 11 OE1 - CD - NE2 ANGL. DEV. =-53.7 DEGREES REMARK 500 16 ARG A 13 NE - CZ - NH1 ANGL. DEV. =-47.1 DEGREES REMARK 500 16 ARG A 13 NE - CZ - NH2 ANGL. DEV. = 38.3 DEGREES REMARK 500 16 GLU A 14 OE1 - CD - OE2 ANGL. DEV. =-92.5 DEGREES REMARK 500 16 GLU A 14 CG - CD - OE1 ANGL. DEV. = 45.8 DEGREES REMARK 500 16 GLU A 14 CG - CD - OE2 ANGL. DEV. = 47.0 DEGREES REMARK 500 16 LEU A 16 CD1 - CG - CD2 ANGL. DEV. =-39.2 DEGREES REMARK 500 16 GLU A 17 OE1 - CD - OE2 ANGL. DEV. =-89.3 DEGREES REMARK 500 16 GLU A 17 CG - CD - OE1 ANGL. DEV. = 43.8 DEGREES REMARK 500 16 GLU A 17 CG - CD - OE2 ANGL. DEV. = 45.8 DEGREES REMARK 500 16 ASP A 19 OD1 - CG - OD2 ANGL. DEV. =-51.0 DEGREES REMARK 500 16 TYR A 24 CB - CG - CD2 ANGL. DEV. = 52.2 DEGREES REMARK 500 16 TYR A 24 CD1 - CG - CD2 ANGL. DEV. =-105.0 DEGREES REMARK 500 16 TYR A 24 CB - CG - CD1 ANGL. DEV. = 53.1 DEGREES REMARK 500 16 TYR A 24 CG - CD1 - CE1 ANGL. DEV. = 52.2 DEGREES REMARK 500 16 TYR A 24 CG - CD2 - CE2 ANGL. DEV. = 52.3 DEGREES REMARK 500 16 TYR A 24 CD1 - CE1 - CZ ANGL. DEV. = 53.9 DEGREES REMARK 500 16 TYR A 24 OH - CZ - CE2 ANGL. DEV. = 53.6 DEGREES REMARK 500 16 TYR A 24 CE1 - CZ - OH ANGL. DEV. = 53.6 DEGREES REMARK 500 16 TYR A 24 CE1 - CZ - CE2 ANGL. DEV. =-107.3 DEGREES REMARK 500 16 TYR A 24 CZ - CE2 - CD2 ANGL. DEV. = 53.9 DEGREES REMARK 500 16 MET A 26 CG - SD - CE ANGL. DEV. = 42.1 DEGREES REMARK 500 16 ASP A 27 OD1 - CG - OD2 ANGL. DEV. =-56.6 DEGREES REMARK 500 16 HIS A 28 CB - CG - CD2 ANGL. DEV. = 36.9 DEGREES REMARK 500 16 HIS A 28 ND1 - CG - CD2 ANGL. DEV. =-78.6 DEGREES REMARK 500 16 HIS A 28 CB - CG - ND1 ANGL. DEV. = 41.8 DEGREES REMARK 500 16 HIS A 28 CG - ND1 - CE1 ANGL. DEV. = 52.4 DEGREES REMARK 500 16 HIS A 28 CE1 - NE2 - CD2 ANGL. DEV. =-42.5 DEGREES REMARK 500 16 HIS A 28 CG - CD2 - NE2 ANGL. DEV. = 56.6 DEGREES REMARK 500 16 MET A 29 CG - SD - CE ANGL. DEV. =-67.4 DEGREES REMARK 500 16 ASP A 32 OD1 - CG - OD2 ANGL. DEV. =-42.8 DEGREES REMARK 500 16 PHE A 34 CB - CG - CD2 ANGL. DEV. = 45.5 DEGREES REMARK 500 16 PHE A 34 CD1 - CG - CD2 ANGL. DEV. =-92.0 DEGREES REMARK 500 16 PHE A 34 CB - CG - CD1 ANGL. DEV. = 46.6 DEGREES REMARK 500 16 PHE A 34 CG - CD1 - CE1 ANGL. DEV. = 46.0 DEGREES REMARK 500 16 PHE A 34 CG - CD2 - CE2 ANGL. DEV. = 46.1 DEGREES REMARK 500 16 PHE A 34 CD1 - CE1 - CZ ANGL. DEV. = 46.6 DEGREES REMARK 500 16 PHE A 34 CE1 - CZ - CE2 ANGL. DEV. =-93.3 DEGREES REMARK 500 16 PHE A 34 CZ - CE2 - CD2 ANGL. DEV. = 46.7 DEGREES REMARK 500 16 LEU A 35 CD1 - CG - CD2 ANGL. DEV. =-66.2 DEGREES REMARK 500 16 LEU A 35 CB - CG - CD1 ANGL. DEV. = 42.1 DEGREES REMARK 500 16 LEU A 35 CB - CG - CD2 ANGL. DEV. = 44.2 DEGREES REMARK 500 16 GLU A 40 OE1 - CD - OE2 ANGL. DEV. =-77.4 DEGREES REMARK 500 16 GLU A 40 CG - CD - OE2 ANGL. DEV. = 54.2 DEGREES REMARK 500 16 GLU A 41 OE1 - CD - OE2 ANGL. DEV. =-84.1 DEGREES REMARK 500 16 GLU A 41 CG - CD - OE1 ANGL. DEV. = 45.3 DEGREES REMARK 500 16 GLU A 41 CG - CD - OE2 ANGL. DEV. = 39.0 DEGREES REMARK 500 16 ASN A 45 OD1 - CG - ND2 ANGL. DEV. =-42.7 DEGREES REMARK 500 16 GLU A 46 CB - CG - CD ANGL. DEV. = 43.0 DEGREES REMARK 500 16 GLN A 49 OE1 - CD - NE2 ANGL. DEV. =-61.5 DEGREES REMARK 500 16 GLN A 51 OE1 - CD - NE2 ANGL. DEV. =-71.1 DEGREES REMARK 500 16 GLN A 51 CG - CD - NE2 ANGL. DEV. = 39.3 DEGREES REMARK 500 16 ARG A 52 NH1 - CZ - NH2 ANGL. DEV. =-52.4 DEGREES REMARK 500 16 LYS A 58 CG - CD - CE ANGL. DEV. = 36.5 DEGREES REMARK 500 16 MET A 59 CG - SD - CE ANGL. DEV. = 41.3 DEGREES REMARK 500 16 LYS A 63 CB - CG - CD ANGL. DEV. = 52.4 DEGREES REMARK 500 16 LYS A 63 CG - CD - CE ANGL. DEV. = 55.2 DEGREES REMARK 500 16 ASP A 64 OD1 - CG - OD2 ANGL. DEV. =-112.0 DEGREES REMARK 500 16 ASP A 64 CB - CG - OD1 ANGL. DEV. = 54.3 DEGREES REMARK 500 16 ASP A 64 CB - CG - OD2 ANGL. DEV. = 57.9 DEGREES REMARK 500 16 ASN A 65 OD1 - CG - ND2 ANGL. DEV. =-40.7 DEGREES REMARK 500 16 ASP A 66 OD1 - CG - OD2 ANGL. DEV. =-84.7 DEGREES REMARK 500 16 ASP A 66 CB - CG - OD1 ANGL. DEV. = 43.3 DEGREES REMARK 500 16 ASP A 66 CB - CG - OD2 ANGL. DEV. = 41.7 DEGREES REMARK 500 16 TYR A 68 CB - CG - CD2 ANGL. DEV. = 52.8 DEGREES REMARK 500 16 TYR A 68 CD1 - CG - CD2 ANGL. DEV. =-105.7 DEGREES REMARK 500 16 TYR A 68 CB - CG - CD1 ANGL. DEV. = 53.2 DEGREES REMARK 500 16 TYR A 68 CG - CD1 - CE1 ANGL. DEV. = 52.5 DEGREES REMARK 500 16 TYR A 68 CG - CD2 - CE2 ANGL. DEV. = 52.7 DEGREES REMARK 500 16 TYR A 68 CD1 - CE1 - CZ ANGL. DEV. = 54.2 DEGREES REMARK 500 16 TYR A 68 OH - CZ - CE2 ANGL. DEV. = 53.9 DEGREES REMARK 500 16 TYR A 68 CE1 - CZ - OH ANGL. DEV. = 53.8 DEGREES REMARK 500 16 TYR A 68 CE1 - CZ - CE2 ANGL. DEV. =-107.9 DEGREES REMARK 500 16 TYR A 68 CZ - CE2 - CD2 ANGL. DEV. = 54.2 DEGREES REMARK 500 16 PHE A 71 CB - CG - CD2 ANGL. DEV. = 53.0 DEGREES REMARK 500 16 PHE A 71 CD1 - CG - CD2 ANGL. DEV. =-106.2 DEGREES REMARK 500 16 PHE A 71 CB - CG - CD1 ANGL. DEV. = 53.3 DEGREES REMARK 500 16 PHE A 71 CG - CD1 - CE1 ANGL. DEV. = 53.4 DEGREES REMARK 500 16 PHE A 71 CG - CD2 - CE2 ANGL. DEV. = 52.8 DEGREES REMARK 500 16 PHE A 71 CD1 - CE1 - CZ ANGL. DEV. = 53.6 DEGREES REMARK 500 16 PHE A 71 CE1 - CZ - CE2 ANGL. DEV. =-107.7 DEGREES REMARK 500 16 PHE A 71 CZ - CE2 - CD2 ANGL. DEV. = 54.1 DEGREES REMARK 500 16 TYR A 72 CB - CG - CD2 ANGL. DEV. = 40.1 DEGREES REMARK 500 16 TYR A 72 CD1 - CG - CD2 ANGL. DEV. =-79.9 DEGREES REMARK 500 16 TYR A 72 CB - CG - CD1 ANGL. DEV. = 40.1 DEGREES REMARK 500 16 TYR A 72 CG - CD1 - CE1 ANGL. DEV. = 39.6 DEGREES REMARK 500 16 TYR A 72 CG - CD2 - CE2 ANGL. DEV. = 39.8 DEGREES REMARK 500 16 TYR A 72 CD1 - CE1 - CZ ANGL. DEV. = 41.4 DEGREES REMARK 500 16 TYR A 72 OH - CZ - CE2 ANGL. DEV. = 40.9 DEGREES REMARK 500 16 TYR A 72 CE1 - CZ - OH ANGL. DEV. = 41.1 DEGREES REMARK 500 16 TYR A 72 CE1 - CZ - CE2 ANGL. DEV. =-82.1 DEGREES REMARK 500 16 TYR A 72 CZ - CE2 - CD2 ANGL. DEV. = 41.2 DEGREES REMARK 500 16 ASN A 73 OD1 - CG - ND2 ANGL. DEV. =-48.0 DEGREES REMARK 500 16 HIS A 77 ND1 - CG - CD2 ANGL. DEV. =-66.8 DEGREES REMARK 500 16 HIS A 77 CG - ND1 - CE1 ANGL. DEV. = 44.8 DEGREES REMARK 500 16 HIS A 77 CG - CD2 - NE2 ANGL. DEV. = 49.1 DEGREES REMARK 500 16 TYR A 80 CB - CG - CD2 ANGL. DEV. = 53.2 DEGREES REMARK 500 16 TYR A 80 CD1 - CG - CD2 ANGL. DEV. =-106.0 DEGREES REMARK 500 16 TYR A 80 CB - CG - CD1 ANGL. DEV. = 53.2 DEGREES REMARK 500 16 TYR A 80 CG - CD1 - CE1 ANGL. DEV. = 52.8 DEGREES REMARK 500 16 TYR A 80 CG - CD2 - CE2 ANGL. DEV. = 52.7 DEGREES REMARK 500 16 TYR A 80 CD1 - CE1 - CZ ANGL. DEV. = 54.3 DEGREES REMARK 500 16 TYR A 80 OH - CZ - CE2 ANGL. DEV. = 54.1 DEGREES REMARK 500 16 TYR A 80 CE1 - CZ - OH ANGL. DEV. = 54.0 DEGREES REMARK 500 16 TYR A 80 CE1 - CZ - CE2 ANGL. DEV. =-108.2 DEGREES REMARK 500 16 TYR A 80 CZ - CE2 - CD2 ANGL. DEV. = 54.4 DEGREES REMARK 500 16 ASP A 82 OD1 - CG - OD2 ANGL. DEV. =-81.3 DEGREES REMARK 500 16 ASP A 82 CB - CG - OD1 ANGL. DEV. = 40.5 DEGREES REMARK 500 16 ASP A 82 CB - CG - OD2 ANGL. DEV. = 41.2 DEGREES REMARK 500 16 HIS A 88 ND1 - CG - CD2 ANGL. DEV. =-74.3 DEGREES REMARK 500 16 HIS A 88 CB - CG - ND1 ANGL. DEV. = 38.9 DEGREES REMARK 500 16 HIS A 88 CG - ND1 - CE1 ANGL. DEV. = 49.1 DEGREES REMARK 500 16 HIS A 88 CE1 - NE2 - CD2 ANGL. DEV. =-43.3 DEGREES REMARK 500 16 HIS A 88 CG - CD2 - NE2 ANGL. DEV. = 54.5 DEGREES REMARK 500 16 ASP A 89 OD1 - CG - OD2 ANGL. DEV. =-56.5 DEGREES REMARK 500 16 SER A 97 CA - CB - OG ANGL. DEV. =-62.9 DEGREES REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3CRD RELATED DB: PDB REMARK 900 RAIDD CARD REMARK 900 RELATED ID: 1A1W RELATED DB: PDB REMARK 900 FADD DEATH EFFECTOR DOMAIN REMARK 900 RELATED ID: 1DDF RELATED DB: PDB REMARK 900 FAS DEATH DOMAIN DBREF 1C15 A 1 97 UNP O14727 APAF_HUMAN 1 97 SEQRES 1 A 97 MET ASP ALA LYS ALA ARG ASN CYS LEU LEU GLN HIS ARG SEQRES 2 A 97 GLU ALA LEU GLU LYS ASP ILE LYS THR SER TYR ILE MET SEQRES 3 A 97 ASP HIS MET ILE SER ASP GLY PHE LEU THR ILE SER GLU SEQRES 4 A 97 GLU GLU LYS VAL ARG ASN GLU PRO THR GLN GLN GLN ARG SEQRES 5 A 97 ALA ALA MET LEU ILE LYS MET ILE LEU LYS LYS ASP ASN SEQRES 6 A 97 ASP SER TYR VAL SER PHE TYR ASN ALA LEU LEU HIS GLU SEQRES 7 A 97 GLY TYR LYS ASP LEU ALA ALA LEU LEU HIS ASP GLY ILE SEQRES 8 A 97 PRO VAL VAL SER SER SER HELIX 1 1 ASP A 2 HIS A 12 1 11 HELIX 2 2 HIS A 12 ILE A 20 1 9 HELIX 3 3 SER A 23 SER A 31 1 9 HELIX 4 4 ILE A 37 GLU A 46 1 10 HELIX 5 5 GLN A 50 ASP A 64 1 15 HELIX 6 6 ASN A 65 HIS A 77 1 13 HELIX 7 7 TYR A 80 ASP A 89 1 10 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N MET A 1 -11.661 19.535 0.136 1.00 0.00 N ATOM 2 CA MET A 1 -10.670 18.591 -0.456 1.00 0.00 C ATOM 3 C MET A 1 -9.339 18.681 0.294 1.00 0.00 C ATOM 4 O MET A 1 -8.795 19.751 0.483 1.00 0.00 O ATOM 5 CB MET A 1 -10.501 19.052 -1.904 1.00 0.00 C ATOM 6 CG MET A 1 -10.155 17.850 -2.785 1.00 0.00 C ATOM 7 SD MET A 1 -11.677 17.128 -3.447 1.00 0.00 S ATOM 8 CE MET A 1 -11.676 18.008 -5.027 1.00 0.00 C ATOM 9 HA MET A 1 -11.050 17.581 -0.433 1.00 0.00 H ATOM 10 HB2 MET A 1 -11.421 19.501 -2.249 1.00 0.00 H ATOM 11 HB3 MET A 1 -9.703 19.778 -1.959 1.00 0.00 H ATOM 12 HG2 MET A 1 -9.525 18.172 -3.601 1.00 0.00 H ATOM 13 HG3 MET A 1 -9.632 17.111 -2.196 1.00 0.00 H ATOM 14 HE1 MET A 1 -11.866 17.308 -5.829 1.00 0.00 H ATOM 15 HE2 MET A 1 -10.716 18.474 -5.180 1.00 0.00 H ATOM 16 HE3 MET A 1 -12.445 18.768 -5.016 1.00 0.00 H ATOM 17 H1 MET A 1 -12.601 19.352 -0.271 1.00 0.00 H ATOM 18 H2 MET A 1 -11.375 20.513 -0.073 1.00 0.00 H ATOM 19 H3 MET A 1 -11.700 19.397 1.165 1.00 0.00 H ATOM 20 N ASP A 2 -8.811 17.565 0.723 1.00 0.00 N ATOM 21 CA ASP A 2 -7.514 17.587 1.460 1.00 0.00 C ATOM 22 C ASP A 2 -6.386 17.049 0.573 1.00 0.00 C ATOM 23 O ASP A 2 -6.210 15.855 0.427 1.00 0.00 O ATOM 24 CB ASP A 2 -7.729 16.683 2.681 1.00 0.00 C ATOM 25 CG ASP A 2 -8.108 15.266 2.235 1.00 0.00 C ATOM 26 OD1 ASP A 2 -8.479 15.100 1.084 1.00 0.00 O ATOM 27 OD2 ASP A 2 -8.020 14.368 3.056 1.00 0.00 O ATOM 28 H ASP A 2 -9.267 16.713 0.559 1.00 0.00 H ATOM 29 HA ASP A 2 -7.286 18.591 1.785 1.00 0.00 H ATOM 30 HB2 ASP A 2 -6.817 16.644 3.259 1.00 0.00 H ATOM 31 HB3 ASP A 2 -8.521 17.089 3.290 1.00 0.00 H ATOM 32 N ALA A 3 -5.618 17.924 -0.017 1.00 0.00 N ATOM 33 CA ALA A 3 -4.498 17.470 -0.892 1.00 0.00 C ATOM 34 C ALA A 3 -3.335 16.957 -0.039 1.00 0.00 C ATOM 35 O ALA A 3 -2.539 16.149 -0.480 1.00 0.00 O ATOM 36 CB ALA A 3 -4.078 18.711 -1.680 1.00 0.00 C ATOM 37 H ALA A 3 -5.776 18.882 0.117 1.00 0.00 H ATOM 38 HA ALA A 3 -4.836 16.702 -1.569 1.00 0.00 H ATOM 39 HB1 ALA A 3 -3.046 18.613 -1.985 1.00 0.00 H ATOM 40 HB2 ALA A 3 -4.187 19.587 -1.057 1.00 0.00 H ATOM 41 HB3 ALA A 3 -4.704 18.812 -2.554 1.00 0.00 H ATOM 42 N LYS A 4 -3.226 17.424 1.176 1.00 0.00 N ATOM 43 CA LYS A 4 -2.113 16.970 2.060 1.00 0.00 C ATOM 44 C LYS A 4 -2.169 15.452 2.257 1.00 0.00 C ATOM 45 O LYS A 4 -1.153 14.791 2.345 1.00 0.00 O ATOM 46 CB LYS A 4 -2.338 17.692 3.389 1.00 0.00 C ATOM 47 CG LYS A 4 -1.123 17.482 4.296 1.00 0.00 C ATOM 48 CD LYS A 4 -1.312 18.269 5.593 1.00 0.00 C ATOM 49 CE LYS A 4 0.049 18.749 6.101 1.00 0.00 C ATOM 50 NZ LYS A 4 0.725 17.523 6.606 1.00 0.00 N ATOM 51 H LYS A 4 -3.878 18.077 1.508 1.00 0.00 H ATOM 52 HA LYS A 4 -1.161 17.258 1.642 1.00 0.00 H ATOM 53 HB2 LYS A 4 -2.473 18.748 3.206 1.00 0.00 H ATOM 54 HB3 LYS A 4 -3.218 17.293 3.871 1.00 0.00 H ATOM 55 HG2 LYS A 4 -1.022 16.429 4.523 1.00 0.00 H ATOM 56 HG3 LYS A 4 -0.234 17.828 3.792 1.00 0.00 H ATOM 57 HD2 LYS A 4 -1.950 19.122 5.408 1.00 0.00 H ATOM 58 HD3 LYS A 4 -1.768 17.634 6.338 1.00 0.00 H ATOM 59 HE2 LYS A 4 0.616 19.189 5.291 1.00 0.00 H ATOM 60 HE3 LYS A 4 -0.077 19.460 6.903 1.00 0.00 H ATOM 61 HZ1 LYS A 4 1.604 17.787 7.095 1.00 0.00 H ATOM 62 HZ2 LYS A 4 0.947 16.895 5.806 1.00 0.00 H ATOM 63 HZ3 LYS A 4 0.096 17.029 7.271 1.00 0.00 H ATOM 64 N ALA A 5 -3.351 14.893 2.327 1.00 0.00 N ATOM 65 CA ALA A 5 -3.468 13.416 2.518 1.00 0.00 C ATOM 66 C ALA A 5 -2.706 12.680 1.411 1.00 0.00 C ATOM 67 O ALA A 5 -2.033 11.698 1.658 1.00 0.00 O ATOM 68 CB ALA A 5 -4.966 13.116 2.433 1.00 0.00 C ATOM 69 H ALA A 5 -4.157 15.444 2.254 1.00 0.00 H ATOM 70 HA ALA A 5 -3.091 13.131 3.488 1.00 0.00 H ATOM 71 HB1 ALA A 5 -5.408 13.709 1.646 1.00 0.00 H ATOM 72 HB2 ALA A 5 -5.436 13.360 3.375 1.00 0.00 H ATOM 73 HB3 ALA A 5 -5.112 12.068 2.219 1.00 0.00 H ATOM 74 N ARG A 6 -2.798 13.154 0.196 1.00 0.00 N ATOM 75 CA ARG A 6 -2.069 12.487 -0.922 1.00 0.00 C ATOM 76 C ARG A 6 -0.563 12.550 -0.664 1.00 0.00 C ATOM 77 O ARG A 6 0.178 11.658 -1.028 1.00 0.00 O ATOM 78 CB ARG A 6 -2.436 13.285 -2.175 1.00 0.00 C ATOM 79 CG ARG A 6 -1.742 12.672 -3.393 1.00 0.00 C ATOM 80 CD ARG A 6 -2.062 13.503 -4.640 1.00 0.00 C ATOM 81 NE ARG A 6 -0.763 14.122 -5.037 1.00 0.00 N ATOM 82 CZ ARG A 6 -0.597 14.621 -6.240 1.00 0.00 C ATOM 83 NH1 ARG A 6 -1.567 14.587 -7.117 1.00 0.00 N ATOM 84 NH2 ARG A 6 0.548 15.156 -6.564 1.00 0.00 N ATOM 85 H ARG A 6 -3.342 13.952 0.022 1.00 0.00 H ATOM 86 HA ARG A 6 -2.391 11.463 -1.027 1.00 0.00 H ATOM 87 HB2 ARG A 6 -3.507 13.258 -2.318 1.00 0.00 H ATOM 88 HB3 ARG A 6 -2.114 14.309 -2.057 1.00 0.00 H ATOM 89 HG2 ARG A 6 -0.674 12.662 -3.231 1.00 0.00 H ATOM 90 HG3 ARG A 6 -2.093 11.662 -3.538 1.00 0.00 H ATOM 91 HD2 ARG A 6 -2.434 12.864 -5.429 1.00 0.00 H ATOM 92 HD3 ARG A 6 -2.782 14.273 -4.407 1.00 0.00 H ATOM 93 HE ARG A 6 -0.024 14.158 -4.393 1.00 0.00 H ATOM 94 HH11 ARG A 6 -2.448 14.180 -6.880 1.00 0.00 H ATOM 95 HH12 ARG A 6 -1.427 14.969 -8.031 1.00 0.00 H ATOM 96 HH21 ARG A 6 1.292 15.186 -5.897 1.00 0.00 H ATOM 97 HH22 ARG A 6 0.680 15.538 -7.479 1.00 0.00 H ATOM 98 N ASN A 7 -0.109 13.597 -0.030 1.00 0.00 N ATOM 99 CA ASN A 7 1.346 13.723 0.266 1.00 0.00 C ATOM 100 C ASN A 7 1.713 12.842 1.462 1.00 0.00 C ATOM 101 O ASN A 7 2.843 12.418 1.611 1.00 0.00 O ATOM 102 CB ASN A 7 1.561 15.200 0.595 1.00 0.00 C ATOM 103 CG ASN A 7 1.404 16.033 -0.679 1.00 0.00 C ATOM 104 OD1 ASN A 7 1.622 15.544 -1.769 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.032 17.281 -0.587 1.00 0.00 N ATOM 106 H ASN A 7 -0.729 14.300 0.258 1.00 0.00 H ATOM 107 HA ASN A 7 1.931 13.449 -0.597 1.00 0.00 H ATOM 108 HB2 ASN A 7 0.829 15.515 1.325 1.00 0.00 H ATOM 109 HB3 ASN A 7 2.554 15.341 0.994 1.00 0.00 H ATOM 110 HD21 ASN A 7 0.856 17.677 0.292 1.00 0.00 H ATOM 111 HD22 ASN A 7 0.929 17.822 -1.398 1.00 0.00 H ATOM 112 N CYS A 8 0.762 12.557 2.314 1.00 0.00 N ATOM 113 CA CYS A 8 1.051 11.697 3.499 1.00 0.00 C ATOM 114 C CYS A 8 1.552 10.326 3.039 1.00 0.00 C ATOM 115 O CYS A 8 2.608 9.877 3.439 1.00 0.00 O ATOM 116 CB CYS A 8 -0.285 11.561 4.231 1.00 0.00 C ATOM 117 SG CYS A 8 -0.007 10.823 5.861 1.00 0.00 S ATOM 118 H CYS A 8 -0.143 12.906 2.172 1.00 0.00 H ATOM 119 HA CYS A 8 1.777 12.170 4.140 1.00 0.00 H ATOM 120 HB2 CYS A 8 -0.731 12.538 4.350 1.00 0.00 H ATOM 121 HB3 CYS A 8 -0.948 10.930 3.658 1.00 0.00 H ATOM 122 HG CYS A 8 0.459 11.466 6.401 1.00 0.00 H ATOM 123 N LEU A 9 0.806 9.663 2.196 1.00 0.00 N ATOM 124 CA LEU A 9 1.245 8.324 1.705 1.00 0.00 C ATOM 125 C LEU A 9 2.557 8.466 0.929 1.00 0.00 C ATOM 126 O LEU A 9 3.429 7.623 1.009 1.00 0.00 O ATOM 127 CB LEU A 9 0.113 7.840 0.790 1.00 0.00 C ATOM 128 CG LEU A 9 0.128 6.309 0.689 1.00 0.00 C ATOM 129 CD1 LEU A 9 1.416 5.852 0.003 1.00 0.00 C ATOM 130 CD2 LEU A 9 0.044 5.688 2.090 1.00 0.00 C ATOM 131 H LEU A 9 -0.040 10.047 1.883 1.00 0.00 H ATOM 132 HA LEU A 9 1.369 7.644 2.531 1.00 0.00 H ATOM 133 HB2 LEU A 9 -0.835 8.164 1.193 1.00 0.00 H ATOM 134 HB3 LEU A 9 0.246 8.263 -0.195 1.00 0.00 H ATOM 135 HG LEU A 9 -0.720 5.984 0.104 1.00 0.00 H ATOM 136 HD11 LEU A 9 1.207 4.992 -0.618 1.00 0.00 H ATOM 137 HD12 LEU A 9 2.148 5.585 0.751 1.00 0.00 H ATOM 138 HD13 LEU A 9 1.802 6.653 -0.610 1.00 0.00 H ATOM 139 HD21 LEU A 9 0.996 5.247 2.348 1.00 0.00 H ATOM 140 HD22 LEU A 9 -0.719 4.923 2.099 1.00 0.00 H ATOM 141 HD23 LEU A 9 -0.206 6.453 2.810 1.00 0.00 H ATOM 142 N LEU A 10 2.710 9.534 0.190 1.00 0.00 N ATOM 143 CA LEU A 10 3.976 9.736 -0.574 1.00 0.00 C ATOM 144 C LEU A 10 5.129 9.984 0.402 1.00 0.00 C ATOM 145 O LEU A 10 6.246 9.560 0.180 1.00 0.00 O ATOM 146 CB LEU A 10 3.731 10.968 -1.447 1.00 0.00 C ATOM 147 CG LEU A 10 2.836 10.587 -2.628 1.00 0.00 C ATOM 148 CD1 LEU A 10 2.036 11.809 -3.085 1.00 0.00 C ATOM 149 CD2 LEU A 10 3.705 10.087 -3.784 1.00 0.00 C ATOM 150 H LEU A 10 1.998 10.208 0.149 1.00 0.00 H ATOM 151 HA LEU A 10 4.184 8.878 -1.193 1.00 0.00 H ATOM 152 HB2 LEU A 10 3.248 11.735 -0.860 1.00 0.00 H ATOM 153 HB3 LEU A 10 4.674 11.340 -1.819 1.00 0.00 H ATOM 154 HG LEU A 10 2.154 9.805 -2.324 1.00 0.00 H ATOM 155 HD11 LEU A 10 2.531 12.268 -3.928 1.00 0.00 H ATOM 156 HD12 LEU A 10 1.972 12.521 -2.276 1.00 0.00 H ATOM 157 HD13 LEU A 10 1.042 11.502 -3.375 1.00 0.00 H ATOM 158 HD21 LEU A 10 3.847 9.020 -3.693 1.00 0.00 H ATOM 159 HD22 LEU A 10 4.665 10.580 -3.750 1.00 0.00 H ATOM 160 HD23 LEU A 10 3.219 10.307 -4.722 1.00 0.00 H ATOM 161 N GLN A 11 4.860 10.659 1.488 1.00 0.00 N ATOM 162 CA GLN A 11 5.932 10.925 2.490 1.00 0.00 C ATOM 163 C GLN A 11 5.967 9.803 3.536 1.00 0.00 C ATOM 164 O GLN A 11 6.737 9.844 4.476 1.00 0.00 O ATOM 165 CB GLN A 11 5.550 12.254 3.141 1.00 0.00 C ATOM 166 CG GLN A 11 6.728 12.778 3.966 1.00 0.00 C ATOM 167 CD GLN A 11 6.472 14.234 4.360 1.00 0.00 C ATOM 168 OE1 GLN A 11 7.114 15.133 3.856 1.00 0.00 O ATOM 169 NE2 GLN A 11 5.554 14.506 5.246 1.00 0.00 N ATOM 170 H GLN A 11 3.949 10.982 1.649 1.00 0.00 H ATOM 171 HA GLN A 11 6.890 11.015 2.002 1.00 0.00 H ATOM 172 HB2 GLN A 11 5.299 12.973 2.372 1.00 0.00 H ATOM 173 HB3 GLN A 11 4.697 12.107 3.787 1.00 0.00 H ATOM 174 HG2 GLN A 11 6.838 12.176 4.857 1.00 0.00 H ATOM 175 HG3 GLN A 11 7.632 12.720 3.379 1.00 0.00 H ATOM 176 HE21 GLN A 11 5.035 13.780 5.654 1.00 0.00 H ATOM 177 HE22 GLN A 11 5.382 15.435 5.506 1.00 0.00 H ATOM 178 N HIS A 12 5.138 8.802 3.379 1.00 0.00 N ATOM 179 CA HIS A 12 5.121 7.677 4.358 1.00 0.00 C ATOM 180 C HIS A 12 6.054 6.554 3.891 1.00 0.00 C ATOM 181 O HIS A 12 5.948 5.425 4.329 1.00 0.00 O ATOM 182 CB HIS A 12 3.667 7.197 4.372 1.00 0.00 C ATOM 183 CG HIS A 12 3.497 6.116 5.404 1.00 0.00 C ATOM 184 ND1 HIS A 12 3.308 6.399 6.748 1.00 0.00 N ATOM 185 CD2 HIS A 12 3.480 4.747 5.302 1.00 0.00 C ATOM 186 CE1 HIS A 12 3.189 5.225 7.395 1.00 0.00 C ATOM 187 NE2 HIS A 12 3.285 4.186 6.561 1.00 0.00 N ATOM 188 H HIS A 12 4.527 8.789 2.614 1.00 0.00 H ATOM 189 HA HIS A 12 5.405 8.023 5.339 1.00 0.00 H ATOM 190 HB2 HIS A 12 3.017 8.026 4.612 1.00 0.00 H ATOM 191 HB3 HIS A 12 3.408 6.808 3.399 1.00 0.00 H ATOM 192 HD1 HIS A 12 3.265 7.289 7.151 1.00 0.00 H ATOM 193 HD2 HIS A 12 3.594 4.190 4.384 1.00 0.00 H ATOM 194 HE1 HIS A 12 3.035 5.134 8.460 1.00 0.00 H ATOM 195 N ARG A 13 6.968 6.856 3.005 1.00 0.00 N ATOM 196 CA ARG A 13 7.908 5.807 2.509 1.00 0.00 C ATOM 197 C ARG A 13 8.873 5.394 3.624 1.00 0.00 C ATOM 198 O ARG A 13 9.134 4.225 3.830 1.00 0.00 O ATOM 199 CB ARG A 13 8.671 6.468 1.362 1.00 0.00 C ATOM 200 CG ARG A 13 9.614 5.447 0.720 1.00 0.00 C ATOM 201 CD ARG A 13 10.389 6.112 -0.423 1.00 0.00 C ATOM 202 NE ARG A 13 11.781 6.270 0.093 1.00 0.00 N ATOM 203 CZ ARG A 13 12.636 7.054 -0.518 1.00 0.00 C ATOM 204 NH1 ARG A 13 12.288 7.713 -1.595 1.00 0.00 N ATOM 205 NH2 ARG A 13 13.847 7.177 -0.049 1.00 0.00 N ATOM 206 H ARG A 13 7.037 7.772 2.665 1.00 0.00 H ATOM 207 HA ARG A 13 7.361 4.951 2.146 1.00 0.00 H ATOM 208 HB2 ARG A 13 7.969 6.825 0.621 1.00 0.00 H ATOM 209 HB3 ARG A 13 9.247 7.298 1.742 1.00 0.00 H ATOM 210 HG2 ARG A 13 10.308 5.083 1.464 1.00 0.00 H ATOM 211 HG3 ARG A 13 9.039 4.622 0.330 1.00 0.00 H ATOM 212 HD2 ARG A 13 10.381 5.478 -1.299 1.00 0.00 H ATOM 213 HD3 ARG A 13 9.968 7.078 -0.652 1.00 0.00 H ATOM 214 HE ARG A 13 12.060 5.785 0.897 1.00 0.00 H ATOM 215 HH11 ARG A 13 11.363 7.625 -1.962 1.00 0.00 H ATOM 216 HH12 ARG A 13 12.951 8.307 -2.051 1.00 0.00 H ATOM 217 HH21 ARG A 13 14.119 6.676 0.773 1.00 0.00 H ATOM 218 HH22 ARG A 13 14.505 7.772 -0.511 1.00 0.00 H ATOM 219 N GLU A 14 9.405 6.346 4.341 1.00 0.00 N ATOM 220 CA GLU A 14 10.357 6.013 5.441 1.00 0.00 C ATOM 221 C GLU A 14 9.635 5.239 6.548 1.00 0.00 C ATOM 222 O GLU A 14 10.211 4.392 7.202 1.00 0.00 O ATOM 223 CB GLU A 14 10.850 7.364 5.962 1.00 0.00 C ATOM 224 CG GLU A 14 12.059 7.148 6.876 1.00 0.00 C ATOM 225 CD GLU A 14 12.710 8.497 7.187 1.00 0.00 C ATOM 226 OE1 GLU A 14 13.366 9.033 6.309 1.00 0.00 O ATOM 227 OE2 GLU A 14 12.542 8.970 8.300 1.00 0.00 O ATOM 228 H GLU A 14 9.180 7.282 4.154 1.00 0.00 H ATOM 229 HA GLU A 14 11.187 5.439 5.060 1.00 0.00 H ATOM 230 HB2 GLU A 14 11.136 7.988 5.128 1.00 0.00 H ATOM 231 HB3 GLU A 14 10.061 7.845 6.520 1.00 0.00 H ATOM 232 HG2 GLU A 14 11.735 6.682 7.796 1.00 0.00 H ATOM 233 HG3 GLU A 14 12.775 6.510 6.381 1.00 0.00 H ATOM 234 N ALA A 15 8.378 5.523 6.761 1.00 0.00 N ATOM 235 CA ALA A 15 7.617 4.803 7.826 1.00 0.00 C ATOM 236 C ALA A 15 7.271 3.385 7.361 1.00 0.00 C ATOM 237 O ALA A 15 7.377 2.434 8.111 1.00 0.00 O ATOM 238 CB ALA A 15 6.345 5.624 8.031 1.00 0.00 C ATOM 239 H ALA A 15 7.932 6.209 6.221 1.00 0.00 H ATOM 240 HA ALA A 15 8.187 4.772 8.740 1.00 0.00 H ATOM 241 HB1 ALA A 15 6.566 6.485 8.644 1.00 0.00 H ATOM 242 HB2 ALA A 15 5.599 5.016 8.522 1.00 0.00 H ATOM 243 HB3 ALA A 15 5.968 5.952 7.073 1.00 0.00 H ATOM 244 N LEU A 16 6.859 3.239 6.130 1.00 0.00 N ATOM 245 CA LEU A 16 6.504 1.884 5.615 1.00 0.00 C ATOM 246 C LEU A 16 7.774 1.078 5.324 1.00 0.00 C ATOM 247 O LEU A 16 7.828 -0.115 5.546 1.00 0.00 O ATOM 248 CB LEU A 16 5.724 2.144 4.324 1.00 0.00 C ATOM 249 CG LEU A 16 5.368 0.812 3.656 1.00 0.00 C ATOM 250 CD1 LEU A 16 3.929 0.867 3.138 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.321 0.557 2.487 1.00 0.00 C ATOM 252 H LEU A 16 6.782 4.021 5.545 1.00 0.00 H ATOM 253 HA LEU A 16 5.881 1.362 6.323 1.00 0.00 H ATOM 254 HB2 LEU A 16 4.818 2.684 4.557 1.00 0.00 H ATOM 255 HB3 LEU A 16 6.329 2.732 3.651 1.00 0.00 H ATOM 256 HG LEU A 16 5.459 0.014 4.377 1.00 0.00 H ATOM 257 HD11 LEU A 16 3.252 0.571 3.925 1.00 0.00 H ATOM 258 HD12 LEU A 16 3.823 0.195 2.299 1.00 0.00 H ATOM 259 HD13 LEU A 16 3.698 1.874 2.823 1.00 0.00 H ATOM 260 HD21 LEU A 16 7.318 0.388 2.865 1.00 0.00 H ATOM 261 HD22 LEU A 16 6.326 1.415 1.832 1.00 0.00 H ATOM 262 HD23 LEU A 16 5.992 -0.314 1.937 1.00 0.00 H ATOM 263 N GLU A 17 8.793 1.724 4.825 1.00 0.00 N ATOM 264 CA GLU A 17 10.063 0.999 4.514 1.00 0.00 C ATOM 265 C GLU A 17 10.554 0.227 5.743 1.00 0.00 C ATOM 266 O GLU A 17 11.008 -0.894 5.639 1.00 0.00 O ATOM 267 CB GLU A 17 11.062 2.094 4.136 1.00 0.00 C ATOM 268 CG GLU A 17 12.385 1.454 3.710 1.00 0.00 C ATOM 269 CD GLU A 17 13.498 2.502 3.757 1.00 0.00 C ATOM 270 OE1 GLU A 17 13.439 3.362 4.620 1.00 0.00 O ATOM 271 OE2 GLU A 17 14.390 2.426 2.929 1.00 0.00 O ATOM 272 H GLU A 17 8.725 2.686 4.653 1.00 0.00 H ATOM 273 HA GLU A 17 9.919 0.329 3.681 1.00 0.00 H ATOM 274 HB2 GLU A 17 10.663 2.678 3.319 1.00 0.00 H ATOM 275 HB3 GLU A 17 11.232 2.735 4.987 1.00 0.00 H ATOM 276 HG2 GLU A 17 12.624 0.642 4.383 1.00 0.00 H ATOM 277 HG3 GLU A 17 12.293 1.073 2.704 1.00 0.00 H ATOM 278 N LYS A 18 10.468 0.821 6.902 1.00 0.00 N ATOM 279 CA LYS A 18 10.932 0.121 8.135 1.00 0.00 C ATOM 280 C LYS A 18 9.819 -0.767 8.699 1.00 0.00 C ATOM 281 O LYS A 18 10.075 -1.819 9.251 1.00 0.00 O ATOM 282 CB LYS A 18 11.278 1.240 9.117 1.00 0.00 C ATOM 283 CG LYS A 18 12.001 0.648 10.329 1.00 0.00 C ATOM 284 CD LYS A 18 12.304 1.758 11.337 1.00 0.00 C ATOM 285 CE LYS A 18 13.605 1.437 12.075 1.00 0.00 C ATOM 286 NZ LYS A 18 14.325 2.737 12.168 1.00 0.00 N ATOM 287 H LYS A 18 10.099 1.727 6.962 1.00 0.00 H ATOM 288 HA LYS A 18 11.812 -0.466 7.924 1.00 0.00 H ATOM 289 HB2 LYS A 18 11.919 1.961 8.631 1.00 0.00 H ATOM 290 HB3 LYS A 18 10.371 1.726 9.445 1.00 0.00 H ATOM 291 HG2 LYS A 18 11.374 -0.101 10.791 1.00 0.00 H ATOM 292 HG3 LYS A 18 12.927 0.194 10.008 1.00 0.00 H ATOM 293 HD2 LYS A 18 12.407 2.699 10.817 1.00 0.00 H ATOM 294 HD3 LYS A 18 11.495 1.826 12.050 1.00 0.00 H ATOM 295 HE2 LYS A 18 13.391 1.051 13.062 1.00 0.00 H ATOM 296 HE3 LYS A 18 14.193 0.729 11.513 1.00 0.00 H ATOM 297 HZ1 LYS A 18 14.414 3.154 11.221 1.00 0.00 H ATOM 298 HZ2 LYS A 18 15.273 2.580 12.570 1.00 0.00 H ATOM 299 HZ3 LYS A 18 13.791 3.386 12.781 1.00 0.00 H ATOM 300 N ASP A 19 8.587 -0.349 8.574 1.00 0.00 N ATOM 301 CA ASP A 19 7.460 -1.167 9.114 1.00 0.00 C ATOM 302 C ASP A 19 7.023 -2.229 8.098 1.00 0.00 C ATOM 303 O ASP A 19 7.158 -3.415 8.333 1.00 0.00 O ATOM 304 CB ASP A 19 6.330 -0.167 9.362 1.00 0.00 C ATOM 305 CG ASP A 19 6.640 0.654 10.615 1.00 0.00 C ATOM 306 OD1 ASP A 19 6.557 0.099 11.699 1.00 0.00 O ATOM 307 OD2 ASP A 19 6.954 1.823 10.470 1.00 0.00 O ATOM 308 H ASP A 19 8.402 0.507 8.131 1.00 0.00 H ATOM 309 HA ASP A 19 7.748 -1.632 10.043 1.00 0.00 H ATOM 310 HB2 ASP A 19 6.240 0.491 8.511 1.00 0.00 H ATOM 311 HB3 ASP A 19 5.402 -0.701 9.505 1.00 0.00 H ATOM 312 N ILE A 20 6.494 -1.815 6.977 1.00 0.00 N ATOM 313 CA ILE A 20 6.041 -2.805 5.953 1.00 0.00 C ATOM 314 C ILE A 20 6.980 -2.796 4.739 1.00 0.00 C ATOM 315 O ILE A 20 7.018 -1.853 3.974 1.00 0.00 O ATOM 316 CB ILE A 20 4.628 -2.350 5.562 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.641 -2.737 6.673 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.207 -3.005 4.240 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.436 -4.257 6.695 1.00 0.00 C ATOM 320 H ILE A 20 6.389 -0.855 6.810 1.00 0.00 H ATOM 321 HA ILE A 20 6.000 -3.792 6.383 1.00 0.00 H ATOM 322 HB ILE A 20 4.624 -1.278 5.441 1.00 0.00 H ATOM 323 HG12 ILE A 20 4.034 -2.415 7.627 1.00 0.00 H ATOM 324 HG13 ILE A 20 2.693 -2.252 6.495 1.00 0.00 H ATOM 325 HG21 ILE A 20 4.376 -2.315 3.426 1.00 0.00 H ATOM 326 HG22 ILE A 20 3.158 -3.260 4.282 1.00 0.00 H ATOM 327 HG23 ILE A 20 4.789 -3.900 4.079 1.00 0.00 H ATOM 328 HD11 ILE A 20 3.091 -4.588 5.726 1.00 0.00 H ATOM 329 HD12 ILE A 20 2.699 -4.510 7.443 1.00 0.00 H ATOM 330 HD13 ILE A 20 4.369 -4.746 6.930 1.00 0.00 H ATOM 331 N LYS A 21 7.722 -3.855 4.557 1.00 0.00 N ATOM 332 CA LYS A 21 8.651 -3.940 3.393 1.00 0.00 C ATOM 333 C LYS A 21 7.978 -4.724 2.263 1.00 0.00 C ATOM 334 O LYS A 21 7.273 -5.680 2.513 1.00 0.00 O ATOM 335 CB LYS A 21 9.877 -4.692 3.913 1.00 0.00 C ATOM 336 CG LYS A 21 10.545 -3.876 5.021 1.00 0.00 C ATOM 337 CD LYS A 21 12.066 -4.037 4.931 1.00 0.00 C ATOM 338 CE LYS A 21 12.674 -2.799 4.266 1.00 0.00 C ATOM 339 NZ LYS A 21 13.985 -3.256 3.729 1.00 0.00 N ATOM 340 H LYS A 21 7.659 -4.605 5.184 1.00 0.00 H ATOM 341 HA LYS A 21 8.933 -2.954 3.057 1.00 0.00 H ATOM 342 HB2 LYS A 21 9.570 -5.651 4.305 1.00 0.00 H ATOM 343 HB3 LYS A 21 10.578 -4.840 3.105 1.00 0.00 H ATOM 344 HG2 LYS A 21 10.284 -2.835 4.908 1.00 0.00 H ATOM 345 HG3 LYS A 21 10.205 -4.230 5.983 1.00 0.00 H ATOM 346 HD2 LYS A 21 12.475 -4.149 5.925 1.00 0.00 H ATOM 347 HD3 LYS A 21 12.303 -4.911 4.344 1.00 0.00 H ATOM 348 HE2 LYS A 21 12.035 -2.452 3.464 1.00 0.00 H ATOM 349 HE3 LYS A 21 12.824 -2.016 4.993 1.00 0.00 H ATOM 350 HZ1 LYS A 21 14.525 -3.725 4.483 1.00 0.00 H ATOM 351 HZ2 LYS A 21 14.520 -2.435 3.377 1.00 0.00 H ATOM 352 HZ3 LYS A 21 13.827 -3.927 2.950 1.00 0.00 H ATOM 353 N THR A 22 8.179 -4.317 1.029 1.00 0.00 N ATOM 354 CA THR A 22 7.544 -5.027 -0.136 1.00 0.00 C ATOM 355 C THR A 22 7.218 -6.485 0.214 1.00 0.00 C ATOM 356 O THR A 22 8.068 -7.353 0.171 1.00 0.00 O ATOM 357 CB THR A 22 8.592 -4.969 -1.250 1.00 0.00 C ATOM 358 OG1 THR A 22 9.795 -5.573 -0.796 1.00 0.00 O ATOM 359 CG2 THR A 22 8.860 -3.510 -1.625 1.00 0.00 C ATOM 360 H THR A 22 8.746 -3.535 0.866 1.00 0.00 H ATOM 361 HA THR A 22 6.652 -4.509 -0.448 1.00 0.00 H ATOM 362 HB THR A 22 8.226 -5.498 -2.116 1.00 0.00 H ATOM 363 HG1 THR A 22 10.098 -6.177 -1.479 1.00 0.00 H ATOM 364 HG21 THR A 22 9.123 -3.450 -2.671 1.00 0.00 H ATOM 365 HG22 THR A 22 9.674 -3.128 -1.026 1.00 0.00 H ATOM 366 HG23 THR A 22 7.973 -2.923 -1.442 1.00 0.00 H ATOM 367 N SER A 23 5.992 -6.746 0.584 1.00 0.00 N ATOM 368 CA SER A 23 5.596 -8.131 0.967 1.00 0.00 C ATOM 369 C SER A 23 4.084 -8.309 0.812 1.00 0.00 C ATOM 370 O SER A 23 3.390 -7.419 0.362 1.00 0.00 O ATOM 371 CB SER A 23 6.005 -8.266 2.433 1.00 0.00 C ATOM 372 OG SER A 23 5.782 -9.603 2.860 1.00 0.00 O ATOM 373 H SER A 23 5.333 -6.022 0.626 1.00 0.00 H ATOM 374 HA SER A 23 6.125 -8.854 0.368 1.00 0.00 H ATOM 375 HB2 SER A 23 7.050 -8.029 2.541 1.00 0.00 H ATOM 376 HB3 SER A 23 5.418 -7.583 3.032 1.00 0.00 H ATOM 377 HG SER A 23 5.694 -9.598 3.816 1.00 0.00 H ATOM 378 N TYR A 24 3.578 -9.462 1.175 1.00 0.00 N ATOM 379 CA TYR A 24 2.109 -9.741 1.058 1.00 0.00 C ATOM 380 C TYR A 24 1.266 -8.476 1.301 1.00 0.00 C ATOM 381 O TYR A 24 0.300 -8.230 0.608 1.00 0.00 O ATOM 382 CB TYR A 24 1.840 -10.792 2.143 1.00 0.00 C ATOM 383 CG TYR A 24 0.373 -10.802 2.508 1.00 0.00 C ATOM 384 CD1 TYR A 24 -0.553 -11.456 1.689 1.00 0.00 C ATOM 385 CD2 TYR A 24 -0.058 -10.149 3.670 1.00 0.00 C ATOM 386 CE1 TYR A 24 -1.910 -11.458 2.032 1.00 0.00 C ATOM 387 CE2 TYR A 24 -1.414 -10.151 4.012 1.00 0.00 C ATOM 388 CZ TYR A 24 -2.341 -10.806 3.193 1.00 0.00 C ATOM 389 OH TYR A 24 -3.679 -10.808 3.530 1.00 0.00 O ATOM 390 H TYR A 24 4.173 -10.157 1.527 1.00 0.00 H ATOM 391 HA TYR A 24 1.885 -10.156 0.089 1.00 0.00 H ATOM 392 HB2 TYR A 24 2.123 -11.766 1.774 1.00 0.00 H ATOM 393 HB3 TYR A 24 2.425 -10.557 3.021 1.00 0.00 H ATOM 394 HD1 TYR A 24 -0.221 -11.959 0.792 1.00 0.00 H ATOM 395 HD2 TYR A 24 0.658 -9.645 4.302 1.00 0.00 H ATOM 396 HE1 TYR A 24 -2.625 -11.962 1.399 1.00 0.00 H ATOM 397 HE2 TYR A 24 -1.744 -9.646 4.908 1.00 0.00 H ATOM 398 HH TYR A 24 -4.176 -10.485 2.775 1.00 0.00 H ATOM 399 N ILE A 25 1.620 -7.677 2.271 1.00 0.00 N ATOM 400 CA ILE A 25 0.825 -6.438 2.534 1.00 0.00 C ATOM 401 C ILE A 25 0.820 -5.544 1.289 1.00 0.00 C ATOM 402 O ILE A 25 -0.217 -5.098 0.840 1.00 0.00 O ATOM 403 CB ILE A 25 1.533 -5.743 3.702 1.00 0.00 C ATOM 404 CG1 ILE A 25 1.477 -6.644 4.944 1.00 0.00 C ATOM 405 CG2 ILE A 25 0.840 -4.409 4.006 1.00 0.00 C ATOM 406 CD1 ILE A 25 0.020 -6.923 5.323 1.00 0.00 C ATOM 407 H ILE A 25 2.403 -7.887 2.822 1.00 0.00 H ATOM 408 HA ILE A 25 -0.185 -6.694 2.815 1.00 0.00 H ATOM 409 HB ILE A 25 2.563 -5.559 3.435 1.00 0.00 H ATOM 410 HG12 ILE A 25 1.978 -7.578 4.730 1.00 0.00 H ATOM 411 HG13 ILE A 25 1.971 -6.152 5.767 1.00 0.00 H ATOM 412 HG21 ILE A 25 -0.232 -4.537 3.950 1.00 0.00 H ATOM 413 HG22 ILE A 25 1.151 -3.668 3.282 1.00 0.00 H ATOM 414 HG23 ILE A 25 1.111 -4.079 4.997 1.00 0.00 H ATOM 415 HD11 ILE A 25 -0.425 -7.575 4.586 1.00 0.00 H ATOM 416 HD12 ILE A 25 -0.528 -5.993 5.357 1.00 0.00 H ATOM 417 HD13 ILE A 25 -0.016 -7.397 6.292 1.00 0.00 H ATOM 418 N MET A 26 1.970 -5.282 0.730 1.00 0.00 N ATOM 419 CA MET A 26 2.031 -4.417 -0.486 1.00 0.00 C ATOM 420 C MET A 26 1.563 -5.195 -1.720 1.00 0.00 C ATOM 421 O MET A 26 0.912 -4.655 -2.594 1.00 0.00 O ATOM 422 CB MET A 26 3.504 -4.029 -0.623 1.00 0.00 C ATOM 423 CG MET A 26 3.943 -3.233 0.609 1.00 0.00 C ATOM 424 SD MET A 26 4.042 -1.472 0.197 1.00 0.00 S ATOM 425 CE MET A 26 2.283 -1.216 -0.142 1.00 0.00 C ATOM 426 H MET A 26 2.794 -5.653 1.109 1.00 0.00 H ATOM 427 HA MET A 26 1.429 -3.533 -0.349 1.00 0.00 H ATOM 428 HB2 MET A 26 4.104 -4.923 -0.708 1.00 0.00 H ATOM 429 HB3 MET A 26 3.635 -3.424 -1.508 1.00 0.00 H ATOM 430 HG2 MET A 26 3.226 -3.375 1.404 1.00 0.00 H ATOM 431 HG3 MET A 26 4.913 -3.580 0.934 1.00 0.00 H ATOM 432 HE1 MET A 26 2.051 -0.163 -0.058 1.00 0.00 H ATOM 433 HE2 MET A 26 1.693 -1.770 0.571 1.00 0.00 H ATOM 434 HE3 MET A 26 2.056 -1.562 -1.141 1.00 0.00 H ATOM 435 N ASP A 27 1.895 -6.456 -1.803 1.00 0.00 N ATOM 436 CA ASP A 27 1.474 -7.266 -2.985 1.00 0.00 C ATOM 437 C ASP A 27 -0.029 -7.556 -2.932 1.00 0.00 C ATOM 438 O ASP A 27 -0.765 -7.223 -3.839 1.00 0.00 O ATOM 439 CB ASP A 27 2.275 -8.565 -2.880 1.00 0.00 C ATOM 440 CG ASP A 27 1.995 -9.437 -4.106 1.00 0.00 C ATOM 441 OD1 ASP A 27 1.858 -8.882 -5.184 1.00 0.00 O ATOM 442 OD2 ASP A 27 1.923 -10.644 -3.946 1.00 0.00 O ATOM 443 H ASP A 27 2.423 -6.869 -1.089 1.00 0.00 H ATOM 444 HA ASP A 27 1.726 -6.754 -3.899 1.00 0.00 H ATOM 445 HB2 ASP A 27 3.329 -8.335 -2.835 1.00 0.00 H ATOM 446 HB3 ASP A 27 1.982 -9.098 -1.988 1.00 0.00 H ATOM 447 N HIS A 28 -0.489 -8.177 -1.876 1.00 0.00 N ATOM 448 CA HIS A 28 -1.947 -8.494 -1.761 1.00 0.00 C ATOM 449 C HIS A 28 -2.792 -7.239 -2.005 1.00 0.00 C ATOM 450 O HIS A 28 -3.936 -7.321 -2.407 1.00 0.00 O ATOM 451 CB HIS A 28 -2.133 -8.992 -0.327 1.00 0.00 C ATOM 452 CG HIS A 28 -3.518 -9.559 -0.168 1.00 0.00 C ATOM 453 ND1 HIS A 28 -3.960 -10.648 -0.902 1.00 0.00 N ATOM 454 CD2 HIS A 28 -4.568 -9.198 0.639 1.00 0.00 C ATOM 455 CE1 HIS A 28 -5.227 -10.903 -0.526 1.00 0.00 C ATOM 456 NE2 HIS A 28 -5.647 -10.049 0.411 1.00 0.00 N ATOM 457 H HIS A 28 0.126 -8.438 -1.158 1.00 0.00 H ATOM 458 HA HIS A 28 -2.217 -9.271 -2.458 1.00 0.00 H ATOM 459 HB2 HIS A 28 -1.404 -9.759 -0.116 1.00 0.00 H ATOM 460 HB3 HIS A 28 -2.001 -8.169 0.359 1.00 0.00 H ATOM 461 HD1 HIS A 28 -3.445 -11.142 -1.573 1.00 0.00 H ATOM 462 HD2 HIS A 28 -4.560 -8.381 1.343 1.00 0.00 H ATOM 463 HE1 HIS A 28 -5.830 -11.702 -0.931 1.00 0.00 H ATOM 464 N MET A 29 -2.237 -6.080 -1.768 1.00 0.00 N ATOM 465 CA MET A 29 -3.009 -4.823 -1.987 1.00 0.00 C ATOM 466 C MET A 29 -3.046 -4.479 -3.479 1.00 0.00 C ATOM 467 O MET A 29 -4.101 -4.347 -4.068 1.00 0.00 O ATOM 468 CB MET A 29 -2.252 -3.744 -1.206 1.00 0.00 C ATOM 469 CG MET A 29 -3.090 -3.299 -0.004 1.00 0.00 C ATOM 470 SD MET A 29 -3.050 -4.583 1.270 1.00 0.00 S ATOM 471 CE MET A 29 -4.550 -5.458 0.762 1.00 0.00 C ATOM 472 H MET A 29 -1.313 -6.037 -1.444 1.00 0.00 H ATOM 473 HA MET A 29 -4.011 -4.923 -1.601 1.00 0.00 H ATOM 474 HB2 MET A 29 -1.310 -4.143 -0.860 1.00 0.00 H ATOM 475 HB3 MET A 29 -2.069 -2.895 -1.848 1.00 0.00 H ATOM 476 HG2 MET A 29 -2.685 -2.382 0.396 1.00 0.00 H ATOM 477 HG3 MET A 29 -4.110 -3.135 -0.318 1.00 0.00 H ATOM 478 HE1 MET A 29 -5.048 -5.854 1.636 1.00 0.00 H ATOM 479 HE2 MET A 29 -4.289 -6.269 0.102 1.00 0.00 H ATOM 480 HE3 MET A 29 -5.207 -4.773 0.245 1.00 0.00 H ATOM 481 N ILE A 30 -1.902 -4.338 -4.096 1.00 0.00 N ATOM 482 CA ILE A 30 -1.872 -4.004 -5.553 1.00 0.00 C ATOM 483 C ILE A 30 -2.644 -5.063 -6.348 1.00 0.00 C ATOM 484 O ILE A 30 -3.462 -4.746 -7.189 1.00 0.00 O ATOM 485 CB ILE A 30 -0.390 -4.010 -5.939 1.00 0.00 C ATOM 486 CG1 ILE A 30 0.355 -2.946 -5.127 1.00 0.00 C ATOM 487 CG2 ILE A 30 -0.243 -3.698 -7.431 1.00 0.00 C ATOM 488 CD1 ILE A 30 1.863 -3.166 -5.257 1.00 0.00 C ATOM 489 H ILE A 30 -1.063 -4.453 -3.602 1.00 0.00 H ATOM 490 HA ILE A 30 -2.293 -3.026 -5.722 1.00 0.00 H ATOM 491 HB ILE A 30 0.032 -4.983 -5.732 1.00 0.00 H ATOM 492 HG12 ILE A 30 0.100 -1.965 -5.502 1.00 0.00 H ATOM 493 HG13 ILE A 30 0.071 -3.017 -4.088 1.00 0.00 H ATOM 494 HG21 ILE A 30 0.566 -4.283 -7.843 1.00 0.00 H ATOM 495 HG22 ILE A 30 -0.028 -2.648 -7.560 1.00 0.00 H ATOM 496 HG23 ILE A 30 -1.161 -3.942 -7.944 1.00 0.00 H ATOM 497 HD11 ILE A 30 2.070 -4.225 -5.296 1.00 0.00 H ATOM 498 HD12 ILE A 30 2.365 -2.731 -4.405 1.00 0.00 H ATOM 499 HD13 ILE A 30 2.218 -2.695 -6.163 1.00 0.00 H ATOM 500 N SER A 31 -2.392 -6.317 -6.083 1.00 0.00 N ATOM 501 CA SER A 31 -3.113 -7.396 -6.819 1.00 0.00 C ATOM 502 C SER A 31 -4.606 -7.378 -6.465 1.00 0.00 C ATOM 503 O SER A 31 -5.418 -7.980 -7.140 1.00 0.00 O ATOM 504 CB SER A 31 -2.467 -8.699 -6.347 1.00 0.00 C ATOM 505 OG SER A 31 -1.115 -8.736 -6.783 1.00 0.00 O ATOM 506 H SER A 31 -1.731 -6.548 -5.398 1.00 0.00 H ATOM 507 HA SER A 31 -2.978 -7.282 -7.883 1.00 0.00 H ATOM 508 HB2 SER A 31 -2.495 -8.747 -5.272 1.00 0.00 H ATOM 509 HB3 SER A 31 -3.013 -9.539 -6.758 1.00 0.00 H ATOM 510 HG SER A 31 -0.644 -9.368 -6.235 1.00 0.00 H ATOM 511 N ASP A 32 -4.972 -6.694 -5.411 1.00 0.00 N ATOM 512 CA ASP A 32 -6.411 -6.640 -5.016 1.00 0.00 C ATOM 513 C ASP A 32 -7.252 -6.038 -6.145 1.00 0.00 C ATOM 514 O ASP A 32 -8.418 -6.349 -6.293 1.00 0.00 O ATOM 515 CB ASP A 32 -6.452 -5.741 -3.779 1.00 0.00 C ATOM 516 CG ASP A 32 -7.626 -6.152 -2.889 1.00 0.00 C ATOM 517 OD1 ASP A 32 -8.750 -6.098 -3.361 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.382 -6.513 -1.749 1.00 0.00 O ATOM 519 H ASP A 32 -4.302 -6.216 -4.880 1.00 0.00 H ATOM 520 HA ASP A 32 -6.768 -7.626 -4.765 1.00 0.00 H ATOM 521 HB2 ASP A 32 -5.529 -5.843 -3.228 1.00 0.00 H ATOM 522 HB3 ASP A 32 -6.578 -4.713 -4.085 1.00 0.00 H ATOM 523 N GLY A 33 -6.672 -5.179 -6.942 1.00 0.00 N ATOM 524 CA GLY A 33 -7.444 -4.562 -8.059 1.00 0.00 C ATOM 525 C GLY A 33 -6.936 -3.143 -8.332 1.00 0.00 C ATOM 526 O GLY A 33 -7.184 -2.581 -9.381 1.00 0.00 O ATOM 527 H GLY A 33 -5.732 -4.943 -6.806 1.00 0.00 H ATOM 528 HA2 GLY A 33 -7.327 -5.164 -8.950 1.00 0.00 H ATOM 529 HA3 GLY A 33 -8.490 -4.519 -7.792 1.00 0.00 H ATOM 530 N PHE A 34 -6.230 -2.555 -7.400 1.00 0.00 N ATOM 531 CA PHE A 34 -5.713 -1.167 -7.617 1.00 0.00 C ATOM 532 C PHE A 34 -4.903 -1.098 -8.916 1.00 0.00 C ATOM 533 O PHE A 34 -5.236 -0.368 -9.828 1.00 0.00 O ATOM 534 CB PHE A 34 -4.810 -0.873 -6.414 1.00 0.00 C ATOM 535 CG PHE A 34 -5.583 -1.058 -5.126 1.00 0.00 C ATOM 536 CD1 PHE A 34 -6.875 -0.536 -4.997 1.00 0.00 C ATOM 537 CD2 PHE A 34 -5.001 -1.756 -4.063 1.00 0.00 C ATOM 538 CE1 PHE A 34 -7.585 -0.713 -3.802 1.00 0.00 C ATOM 539 CE2 PHE A 34 -5.710 -1.934 -2.869 1.00 0.00 C ATOM 540 CZ PHE A 34 -7.001 -1.412 -2.739 1.00 0.00 C ATOM 541 H PHE A 34 -6.042 -3.021 -6.560 1.00 0.00 H ATOM 542 HA PHE A 34 -6.528 -0.463 -7.645 1.00 0.00 H ATOM 543 HB2 PHE A 34 -3.966 -1.548 -6.426 1.00 0.00 H ATOM 544 HB3 PHE A 34 -4.454 0.145 -6.474 1.00 0.00 H ATOM 545 HD1 PHE A 34 -7.326 0.004 -5.817 1.00 0.00 H ATOM 546 HD2 PHE A 34 -4.003 -2.158 -4.162 1.00 0.00 H ATOM 547 HE1 PHE A 34 -8.583 -0.310 -3.701 1.00 0.00 H ATOM 548 HE2 PHE A 34 -5.260 -2.472 -2.049 1.00 0.00 H ATOM 549 HZ PHE A 34 -7.549 -1.549 -1.819 1.00 0.00 H ATOM 550 N LEU A 35 -3.843 -1.856 -9.003 1.00 0.00 N ATOM 551 CA LEU A 35 -3.010 -1.837 -10.240 1.00 0.00 C ATOM 552 C LEU A 35 -2.932 -3.239 -10.848 1.00 0.00 C ATOM 553 O LEU A 35 -3.228 -4.223 -10.198 1.00 0.00 O ATOM 554 CB LEU A 35 -1.628 -1.370 -9.779 1.00 0.00 C ATOM 555 CG LEU A 35 -1.729 0.047 -9.205 1.00 0.00 C ATOM 556 CD1 LEU A 35 -1.257 0.050 -7.750 1.00 0.00 C ATOM 557 CD2 LEU A 35 -0.850 0.997 -10.023 1.00 0.00 C ATOM 558 H LEU A 35 -3.594 -2.437 -8.255 1.00 0.00 H ATOM 559 HA LEU A 35 -3.414 -1.138 -10.956 1.00 0.00 H ATOM 560 HB2 LEU A 35 -1.258 -2.044 -9.019 1.00 0.00 H ATOM 561 HB3 LEU A 35 -0.950 -1.371 -10.619 1.00 0.00 H ATOM 562 HG LEU A 35 -2.756 0.382 -9.247 1.00 0.00 H ATOM 563 HD11 LEU A 35 -1.673 -0.804 -7.235 1.00 0.00 H ATOM 564 HD12 LEU A 35 -1.585 0.958 -7.265 1.00 0.00 H ATOM 565 HD13 LEU A 35 -0.178 -0.004 -7.720 1.00 0.00 H ATOM 566 HD21 LEU A 35 0.120 0.546 -10.178 1.00 0.00 H ATOM 567 HD22 LEU A 35 -0.732 1.928 -9.490 1.00 0.00 H ATOM 568 HD23 LEU A 35 -1.315 1.185 -10.979 1.00 0.00 H ATOM 569 N THR A 36 -2.539 -3.338 -12.091 1.00 0.00 N ATOM 570 CA THR A 36 -2.444 -4.677 -12.743 1.00 0.00 C ATOM 571 C THR A 36 -1.441 -5.563 -11.999 1.00 0.00 C ATOM 572 O THR A 36 -0.465 -5.087 -11.453 1.00 0.00 O ATOM 573 CB THR A 36 -1.957 -4.395 -14.166 1.00 0.00 C ATOM 574 OG1 THR A 36 -0.945 -3.398 -14.129 1.00 0.00 O ATOM 575 CG2 THR A 36 -3.128 -3.906 -15.021 1.00 0.00 C ATOM 576 H THR A 36 -2.308 -2.531 -12.594 1.00 0.00 H ATOM 577 HA THR A 36 -3.413 -5.150 -12.774 1.00 0.00 H ATOM 578 HB THR A 36 -1.556 -5.300 -14.596 1.00 0.00 H ATOM 579 HG1 THR A 36 -0.179 -3.769 -13.685 1.00 0.00 H ATOM 580 HG21 THR A 36 -3.773 -4.739 -15.257 1.00 0.00 H ATOM 581 HG22 THR A 36 -2.748 -3.474 -15.936 1.00 0.00 H ATOM 582 HG23 THR A 36 -3.686 -3.161 -14.474 1.00 0.00 H ATOM 583 N ILE A 37 -1.674 -6.848 -11.977 1.00 0.00 N ATOM 584 CA ILE A 37 -0.733 -7.768 -11.271 1.00 0.00 C ATOM 585 C ILE A 37 0.580 -7.886 -12.053 1.00 0.00 C ATOM 586 O ILE A 37 1.589 -8.309 -11.522 1.00 0.00 O ATOM 587 CB ILE A 37 -1.456 -9.116 -11.223 1.00 0.00 C ATOM 588 CG1 ILE A 37 -2.770 -8.963 -10.455 1.00 0.00 C ATOM 589 CG2 ILE A 37 -0.572 -10.147 -10.515 1.00 0.00 C ATOM 590 CD1 ILE A 37 -3.578 -10.258 -10.559 1.00 0.00 C ATOM 591 H ILE A 37 -2.467 -7.208 -12.427 1.00 0.00 H ATOM 592 HA ILE A 37 -0.545 -7.415 -10.269 1.00 0.00 H ATOM 593 HB ILE A 37 -1.661 -9.451 -12.230 1.00 0.00 H ATOM 594 HG12 ILE A 37 -2.558 -8.753 -9.416 1.00 0.00 H ATOM 595 HG13 ILE A 37 -3.342 -8.150 -10.876 1.00 0.00 H ATOM 596 HG21 ILE A 37 -1.167 -11.009 -10.249 1.00 0.00 H ATOM 597 HG22 ILE A 37 -0.153 -9.708 -9.621 1.00 0.00 H ATOM 598 HG23 ILE A 37 0.227 -10.450 -11.175 1.00 0.00 H ATOM 599 HD11 ILE A 37 -3.695 -10.526 -11.598 1.00 0.00 H ATOM 600 HD12 ILE A 37 -4.551 -10.113 -10.112 1.00 0.00 H ATOM 601 HD13 ILE A 37 -3.058 -11.049 -10.039 1.00 0.00 H ATOM 602 N SER A 38 0.576 -7.515 -13.307 1.00 0.00 N ATOM 603 CA SER A 38 1.826 -7.608 -14.118 1.00 0.00 C ATOM 604 C SER A 38 2.936 -6.769 -13.478 1.00 0.00 C ATOM 605 O SER A 38 4.108 -7.059 -13.624 1.00 0.00 O ATOM 606 CB SER A 38 1.453 -7.043 -15.489 1.00 0.00 C ATOM 607 OG SER A 38 0.628 -7.978 -16.173 1.00 0.00 O ATOM 608 H SER A 38 -0.249 -7.178 -13.715 1.00 0.00 H ATOM 609 HA SER A 38 2.137 -8.635 -14.215 1.00 0.00 H ATOM 610 HB2 SER A 38 0.913 -6.119 -15.365 1.00 0.00 H ATOM 611 HB3 SER A 38 2.354 -6.858 -16.059 1.00 0.00 H ATOM 612 HG SER A 38 -0.246 -7.592 -16.264 1.00 0.00 H ATOM 613 N GLU A 39 2.574 -5.734 -12.766 1.00 0.00 N ATOM 614 CA GLU A 39 3.607 -4.877 -12.113 1.00 0.00 C ATOM 615 C GLU A 39 4.301 -5.651 -10.989 1.00 0.00 C ATOM 616 O GLU A 39 5.436 -5.381 -10.647 1.00 0.00 O ATOM 617 CB GLU A 39 2.833 -3.686 -11.545 1.00 0.00 C ATOM 618 CG GLU A 39 3.817 -2.635 -11.028 1.00 0.00 C ATOM 619 CD GLU A 39 3.110 -1.283 -10.917 1.00 0.00 C ATOM 620 OE1 GLU A 39 3.055 -0.582 -11.913 1.00 0.00 O ATOM 621 OE2 GLU A 39 2.635 -0.973 -9.836 1.00 0.00 O ATOM 622 H GLU A 39 1.624 -5.522 -12.662 1.00 0.00 H ATOM 623 HA GLU A 39 4.328 -4.535 -12.838 1.00 0.00 H ATOM 624 HB2 GLU A 39 2.218 -3.253 -12.321 1.00 0.00 H ATOM 625 HB3 GLU A 39 2.205 -4.019 -10.731 1.00 0.00 H ATOM 626 HG2 GLU A 39 4.183 -2.933 -10.056 1.00 0.00 H ATOM 627 HG3 GLU A 39 4.646 -2.550 -11.714 1.00 0.00 H ATOM 628 N GLU A 40 3.628 -6.612 -10.414 1.00 0.00 N ATOM 629 CA GLU A 40 4.249 -7.405 -9.313 1.00 0.00 C ATOM 630 C GLU A 40 5.467 -8.172 -9.836 1.00 0.00 C ATOM 631 O GLU A 40 6.532 -8.135 -9.252 1.00 0.00 O ATOM 632 CB GLU A 40 3.159 -8.376 -8.857 1.00 0.00 C ATOM 633 CG GLU A 40 3.658 -9.179 -7.654 1.00 0.00 C ATOM 634 CD GLU A 40 2.943 -10.531 -7.611 1.00 0.00 C ATOM 635 OE1 GLU A 40 1.746 -10.539 -7.375 1.00 0.00 O ATOM 636 OE2 GLU A 40 3.605 -11.536 -7.815 1.00 0.00 O ATOM 637 H GLU A 40 2.715 -6.812 -10.707 1.00 0.00 H ATOM 638 HA GLU A 40 4.532 -6.760 -8.496 1.00 0.00 H ATOM 639 HB2 GLU A 40 2.276 -7.820 -8.578 1.00 0.00 H ATOM 640 HB3 GLU A 40 2.918 -9.052 -9.664 1.00 0.00 H ATOM 641 HG2 GLU A 40 4.724 -9.337 -7.744 1.00 0.00 H ATOM 642 HG3 GLU A 40 3.449 -8.635 -6.745 1.00 0.00 H ATOM 643 N GLU A 41 5.316 -8.865 -10.934 1.00 0.00 N ATOM 644 CA GLU A 41 6.466 -9.634 -11.497 1.00 0.00 C ATOM 645 C GLU A 41 7.615 -8.686 -11.845 1.00 0.00 C ATOM 646 O GLU A 41 8.771 -9.064 -11.831 1.00 0.00 O ATOM 647 CB GLU A 41 5.920 -10.301 -12.761 1.00 0.00 C ATOM 648 CG GLU A 41 6.821 -11.475 -13.147 1.00 0.00 C ATOM 649 CD GLU A 41 6.570 -11.854 -14.609 1.00 0.00 C ATOM 650 OE1 GLU A 41 5.416 -12.028 -14.964 1.00 0.00 O ATOM 651 OE2 GLU A 41 7.536 -11.963 -15.346 1.00 0.00 O ATOM 652 H GLU A 41 4.447 -8.880 -11.387 1.00 0.00 H ATOM 653 HA GLU A 41 6.795 -10.386 -10.798 1.00 0.00 H ATOM 654 HB2 GLU A 41 4.918 -10.659 -12.575 1.00 0.00 H ATOM 655 HB3 GLU A 41 5.902 -9.584 -13.567 1.00 0.00 H ATOM 656 HG2 GLU A 41 7.856 -11.192 -13.021 1.00 0.00 H ATOM 657 HG3 GLU A 41 6.600 -12.322 -12.515 1.00 0.00 H ATOM 658 N LYS A 42 7.307 -7.455 -12.157 1.00 0.00 N ATOM 659 CA LYS A 42 8.380 -6.479 -12.506 1.00 0.00 C ATOM 660 C LYS A 42 9.070 -5.980 -11.234 1.00 0.00 C ATOM 661 O LYS A 42 10.262 -6.129 -11.064 1.00 0.00 O ATOM 662 CB LYS A 42 7.658 -5.331 -13.212 1.00 0.00 C ATOM 663 CG LYS A 42 8.684 -4.326 -13.733 1.00 0.00 C ATOM 664 CD LYS A 42 8.028 -3.421 -14.778 1.00 0.00 C ATOM 665 CE LYS A 42 9.059 -3.038 -15.843 1.00 0.00 C ATOM 666 NZ LYS A 42 8.794 -1.602 -16.138 1.00 0.00 N ATOM 667 H LYS A 42 6.368 -7.173 -12.162 1.00 0.00 H ATOM 668 HA LYS A 42 9.097 -6.930 -13.173 1.00 0.00 H ATOM 669 HB2 LYS A 42 7.083 -5.723 -14.039 1.00 0.00 H ATOM 670 HB3 LYS A 42 6.996 -4.839 -12.515 1.00 0.00 H ATOM 671 HG2 LYS A 42 9.049 -3.725 -12.912 1.00 0.00 H ATOM 672 HG3 LYS A 42 9.509 -4.856 -14.186 1.00 0.00 H ATOM 673 HD2 LYS A 42 7.206 -3.946 -15.242 1.00 0.00 H ATOM 674 HD3 LYS A 42 7.660 -2.527 -14.298 1.00 0.00 H ATOM 675 HE2 LYS A 42 10.060 -3.167 -15.458 1.00 0.00 H ATOM 676 HE3 LYS A 42 8.917 -3.631 -16.734 1.00 0.00 H ATOM 677 HZ1 LYS A 42 9.582 -1.211 -16.691 1.00 0.00 H ATOM 678 HZ2 LYS A 42 8.701 -1.077 -15.244 1.00 0.00 H ATOM 679 HZ3 LYS A 42 7.914 -1.517 -16.684 1.00 0.00 H ATOM 680 N VAL A 43 8.322 -5.392 -10.337 1.00 0.00 N ATOM 681 CA VAL A 43 8.922 -4.880 -9.065 1.00 0.00 C ATOM 682 C VAL A 43 9.762 -5.969 -8.388 1.00 0.00 C ATOM 683 O VAL A 43 10.754 -5.693 -7.744 1.00 0.00 O ATOM 684 CB VAL A 43 7.727 -4.499 -8.186 1.00 0.00 C ATOM 685 CG1 VAL A 43 8.229 -3.964 -6.842 1.00 0.00 C ATOM 686 CG2 VAL A 43 6.899 -3.418 -8.887 1.00 0.00 C ATOM 687 H VAL A 43 7.361 -5.288 -10.498 1.00 0.00 H ATOM 688 HA VAL A 43 9.526 -4.007 -9.260 1.00 0.00 H ATOM 689 HB VAL A 43 7.114 -5.373 -8.017 1.00 0.00 H ATOM 690 HG11 VAL A 43 8.733 -3.020 -6.996 1.00 0.00 H ATOM 691 HG12 VAL A 43 8.915 -4.673 -6.405 1.00 0.00 H ATOM 692 HG13 VAL A 43 7.389 -3.818 -6.177 1.00 0.00 H ATOM 693 HG21 VAL A 43 7.133 -2.452 -8.463 1.00 0.00 H ATOM 694 HG22 VAL A 43 5.848 -3.625 -8.750 1.00 0.00 H ATOM 695 HG23 VAL A 43 7.130 -3.413 -9.942 1.00 0.00 H ATOM 696 N ARG A 44 9.361 -7.206 -8.519 1.00 0.00 N ATOM 697 CA ARG A 44 10.121 -8.321 -7.876 1.00 0.00 C ATOM 698 C ARG A 44 11.617 -8.246 -8.215 1.00 0.00 C ATOM 699 O ARG A 44 12.460 -8.449 -7.363 1.00 0.00 O ATOM 700 CB ARG A 44 9.511 -9.599 -8.452 1.00 0.00 C ATOM 701 CG ARG A 44 10.064 -10.811 -7.701 1.00 0.00 C ATOM 702 CD ARG A 44 9.520 -12.095 -8.331 1.00 0.00 C ATOM 703 NE ARG A 44 10.468 -12.413 -9.438 1.00 0.00 N ATOM 704 CZ ARG A 44 11.676 -12.853 -9.178 1.00 0.00 C ATOM 705 NH1 ARG A 44 12.075 -13.022 -7.943 1.00 0.00 N ATOM 706 NH2 ARG A 44 12.489 -13.125 -10.162 1.00 0.00 N ATOM 707 H ARG A 44 8.550 -7.401 -9.035 1.00 0.00 H ATOM 708 HA ARG A 44 9.979 -8.301 -6.807 1.00 0.00 H ATOM 709 HB2 ARG A 44 8.436 -9.565 -8.343 1.00 0.00 H ATOM 710 HB3 ARG A 44 9.764 -9.679 -9.498 1.00 0.00 H ATOM 711 HG2 ARG A 44 11.142 -10.809 -7.760 1.00 0.00 H ATOM 712 HG3 ARG A 44 9.759 -10.763 -6.667 1.00 0.00 H ATOM 713 HD2 ARG A 44 9.506 -12.894 -7.602 1.00 0.00 H ATOM 714 HD3 ARG A 44 8.531 -11.930 -8.730 1.00 0.00 H ATOM 715 HE ARG A 44 10.186 -12.293 -10.368 1.00 0.00 H ATOM 716 HH11 ARG A 44 11.460 -12.816 -7.182 1.00 0.00 H ATOM 717 HH12 ARG A 44 13.000 -13.358 -7.759 1.00 0.00 H ATOM 718 HH21 ARG A 44 12.190 -12.997 -11.107 1.00 0.00 H ATOM 719 HH22 ARG A 44 13.411 -13.460 -9.970 1.00 0.00 H ATOM 720 N ASN A 45 11.957 -7.970 -9.448 1.00 0.00 N ATOM 721 CA ASN A 45 13.404 -7.903 -9.819 1.00 0.00 C ATOM 722 C ASN A 45 13.708 -6.664 -10.672 1.00 0.00 C ATOM 723 O ASN A 45 14.793 -6.523 -11.201 1.00 0.00 O ATOM 724 CB ASN A 45 13.661 -9.179 -10.626 1.00 0.00 C ATOM 725 CG ASN A 45 15.144 -9.263 -10.991 1.00 0.00 C ATOM 726 OD1 ASN A 45 15.993 -8.820 -10.244 1.00 0.00 O ATOM 727 ND2 ASN A 45 15.494 -9.816 -12.120 1.00 0.00 N ATOM 728 H ASN A 45 11.267 -7.818 -10.127 1.00 0.00 H ATOM 729 HA ASN A 45 14.018 -7.906 -8.933 1.00 0.00 H ATOM 730 HB2 ASN A 45 13.386 -10.039 -10.034 1.00 0.00 H ATOM 731 HB3 ASN A 45 13.070 -9.157 -11.529 1.00 0.00 H ATOM 732 HD21 ASN A 45 14.810 -10.173 -12.725 1.00 0.00 H ATOM 733 HD22 ASN A 45 16.442 -9.875 -12.363 1.00 0.00 H ATOM 734 N GLU A 46 12.769 -5.766 -10.811 1.00 0.00 N ATOM 735 CA GLU A 46 13.028 -4.545 -11.630 1.00 0.00 C ATOM 736 C GLU A 46 13.954 -3.580 -10.867 1.00 0.00 C ATOM 737 O GLU A 46 14.975 -3.177 -11.388 1.00 0.00 O ATOM 738 CB GLU A 46 11.643 -3.929 -11.885 1.00 0.00 C ATOM 739 CG GLU A 46 11.780 -2.461 -12.307 1.00 0.00 C ATOM 740 CD GLU A 46 12.603 -2.370 -13.594 1.00 0.00 C ATOM 741 OE1 GLU A 46 12.115 -2.818 -14.619 1.00 0.00 O ATOM 742 OE2 GLU A 46 13.707 -1.855 -13.533 1.00 0.00 O ATOM 743 H GLU A 46 11.899 -5.891 -10.379 1.00 0.00 H ATOM 744 HA GLU A 46 13.480 -4.823 -12.570 1.00 0.00 H ATOM 745 HB2 GLU A 46 11.151 -4.480 -12.673 1.00 0.00 H ATOM 746 HB3 GLU A 46 11.050 -3.990 -10.987 1.00 0.00 H ATOM 747 HG2 GLU A 46 10.798 -2.044 -12.478 1.00 0.00 H ATOM 748 HG3 GLU A 46 12.274 -1.905 -11.525 1.00 0.00 H ATOM 749 N PRO A 47 13.578 -3.240 -9.656 1.00 0.00 N ATOM 750 CA PRO A 47 14.409 -2.318 -8.843 1.00 0.00 C ATOM 751 C PRO A 47 15.653 -3.044 -8.323 1.00 0.00 C ATOM 752 O PRO A 47 15.769 -4.249 -8.434 1.00 0.00 O ATOM 753 CB PRO A 47 13.492 -1.925 -7.690 1.00 0.00 C ATOM 754 CG PRO A 47 12.517 -3.050 -7.568 1.00 0.00 C ATOM 755 CD PRO A 47 12.370 -3.665 -8.936 1.00 0.00 C ATOM 756 HA PRO A 47 14.684 -1.446 -9.413 1.00 0.00 H ATOM 757 HB2 PRO A 47 14.064 -1.819 -6.777 1.00 0.00 H ATOM 758 HB3 PRO A 47 12.972 -1.007 -7.918 1.00 0.00 H ATOM 759 HG2 PRO A 47 12.890 -3.785 -6.868 1.00 0.00 H ATOM 760 HG3 PRO A 47 11.562 -2.675 -7.234 1.00 0.00 H ATOM 761 HD2 PRO A 47 12.329 -4.741 -8.860 1.00 0.00 H ATOM 762 HD3 PRO A 47 11.489 -3.282 -9.427 1.00 0.00 H ATOM 763 N THR A 48 16.580 -2.321 -7.755 1.00 0.00 N ATOM 764 CA THR A 48 17.816 -2.971 -7.226 1.00 0.00 C ATOM 765 C THR A 48 18.165 -2.411 -5.843 1.00 0.00 C ATOM 766 O THR A 48 18.605 -3.131 -4.967 1.00 0.00 O ATOM 767 CB THR A 48 18.910 -2.626 -8.236 1.00 0.00 C ATOM 768 OG1 THR A 48 18.432 -2.869 -9.552 1.00 0.00 O ATOM 769 CG2 THR A 48 20.143 -3.493 -7.972 1.00 0.00 C ATOM 770 H THR A 48 16.464 -1.352 -7.677 1.00 0.00 H ATOM 771 HA THR A 48 17.685 -4.041 -7.177 1.00 0.00 H ATOM 772 HB THR A 48 19.179 -1.586 -8.136 1.00 0.00 H ATOM 773 HG1 THR A 48 19.143 -2.672 -10.167 1.00 0.00 H ATOM 774 HG21 THR A 48 20.624 -3.731 -8.909 1.00 0.00 H ATOM 775 HG22 THR A 48 19.842 -4.406 -7.480 1.00 0.00 H ATOM 776 HG23 THR A 48 20.833 -2.954 -7.339 1.00 0.00 H ATOM 777 N GLN A 49 17.976 -1.134 -5.642 1.00 0.00 N ATOM 778 CA GLN A 49 18.301 -0.528 -4.317 1.00 0.00 C ATOM 779 C GLN A 49 17.016 -0.257 -3.528 1.00 0.00 C ATOM 780 O GLN A 49 15.990 -0.864 -3.769 1.00 0.00 O ATOM 781 CB GLN A 49 19.019 0.782 -4.648 1.00 0.00 C ATOM 782 CG GLN A 49 20.282 0.487 -5.462 1.00 0.00 C ATOM 783 CD GLN A 49 21.408 0.058 -4.521 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.580 -1.116 -4.256 1.00 0.00 O ATOM 785 NE2 GLN A 49 22.188 0.966 -4.001 1.00 0.00 N ATOM 786 H GLN A 49 17.624 -0.572 -6.362 1.00 0.00 H ATOM 787 HA GLN A 49 18.958 -1.176 -3.758 1.00 0.00 H ATOM 788 HB2 GLN A 49 18.360 1.418 -5.223 1.00 0.00 H ATOM 789 HB3 GLN A 49 19.294 1.284 -3.733 1.00 0.00 H ATOM 790 HG2 GLN A 49 20.078 -0.305 -6.167 1.00 0.00 H ATOM 791 HG3 GLN A 49 20.581 1.376 -5.996 1.00 0.00 H ATOM 792 HE21 GLN A 49 22.050 1.912 -4.215 1.00 0.00 H ATOM 793 HE22 GLN A 49 22.914 0.700 -3.397 1.00 0.00 H ATOM 794 N GLN A 50 17.065 0.649 -2.587 1.00 0.00 N ATOM 795 CA GLN A 50 15.848 0.962 -1.777 1.00 0.00 C ATOM 796 C GLN A 50 14.699 1.414 -2.685 1.00 0.00 C ATOM 797 O GLN A 50 13.545 1.375 -2.303 1.00 0.00 O ATOM 798 CB GLN A 50 16.272 2.100 -0.847 1.00 0.00 C ATOM 799 CG GLN A 50 15.619 1.911 0.523 1.00 0.00 C ATOM 800 CD GLN A 50 16.484 0.984 1.377 1.00 0.00 C ATOM 801 OE1 GLN A 50 17.686 0.925 1.206 1.00 0.00 O ATOM 802 NE2 GLN A 50 15.921 0.252 2.299 1.00 0.00 N ATOM 803 H GLN A 50 17.904 1.124 -2.409 1.00 0.00 H ATOM 804 HA GLN A 50 15.553 0.103 -1.196 1.00 0.00 H ATOM 805 HB2 GLN A 50 17.347 2.094 -0.740 1.00 0.00 H ATOM 806 HB3 GLN A 50 15.957 3.044 -1.267 1.00 0.00 H ATOM 807 HG2 GLN A 50 15.524 2.870 1.012 1.00 0.00 H ATOM 808 HG3 GLN A 50 14.640 1.473 0.398 1.00 0.00 H ATOM 809 HE21 GLN A 50 14.952 0.298 2.439 1.00 0.00 H ATOM 810 HE22 GLN A 50 16.467 -0.344 2.853 1.00 0.00 H ATOM 811 N GLN A 51 15.003 1.843 -3.883 1.00 0.00 N ATOM 812 CA GLN A 51 13.925 2.299 -4.814 1.00 0.00 C ATOM 813 C GLN A 51 12.841 1.223 -4.951 1.00 0.00 C ATOM 814 O GLN A 51 11.708 1.514 -5.283 1.00 0.00 O ATOM 815 CB GLN A 51 14.628 2.523 -6.154 1.00 0.00 C ATOM 816 CG GLN A 51 13.638 3.120 -7.156 1.00 0.00 C ATOM 817 CD GLN A 51 14.161 2.907 -8.579 1.00 0.00 C ATOM 818 OE1 GLN A 51 13.408 2.567 -9.470 1.00 0.00 O ATOM 819 NE2 GLN A 51 15.427 3.093 -8.829 1.00 0.00 N ATOM 820 H GLN A 51 15.938 1.868 -4.171 1.00 0.00 H ATOM 821 HA GLN A 51 13.495 3.224 -4.467 1.00 0.00 H ATOM 822 HB2 GLN A 51 15.457 3.203 -6.016 1.00 0.00 H ATOM 823 HB3 GLN A 51 14.995 1.581 -6.531 1.00 0.00 H ATOM 824 HG2 GLN A 51 12.679 2.634 -7.047 1.00 0.00 H ATOM 825 HG3 GLN A 51 13.529 4.177 -6.969 1.00 0.00 H ATOM 826 HE21 GLN A 51 16.034 3.367 -8.110 1.00 0.00 H ATOM 827 HE22 GLN A 51 15.772 2.958 -9.737 1.00 0.00 H ATOM 828 N ARG A 52 13.177 -0.015 -4.697 1.00 0.00 N ATOM 829 CA ARG A 52 12.164 -1.108 -4.811 1.00 0.00 C ATOM 830 C ARG A 52 10.920 -0.769 -3.983 1.00 0.00 C ATOM 831 O ARG A 52 9.811 -0.783 -4.480 1.00 0.00 O ATOM 832 CB ARG A 52 12.857 -2.353 -4.254 1.00 0.00 C ATOM 833 CG ARG A 52 11.912 -3.552 -4.347 1.00 0.00 C ATOM 834 CD ARG A 52 12.667 -4.830 -3.973 1.00 0.00 C ATOM 835 NE ARG A 52 12.343 -5.064 -2.535 1.00 0.00 N ATOM 836 CZ ARG A 52 12.992 -5.970 -1.843 1.00 0.00 C ATOM 837 NH1 ARG A 52 13.935 -6.687 -2.399 1.00 0.00 N ATOM 838 NH2 ARG A 52 12.693 -6.159 -0.587 1.00 0.00 N ATOM 839 H ARG A 52 14.097 -0.226 -4.431 1.00 0.00 H ATOM 840 HA ARG A 52 11.897 -1.267 -5.844 1.00 0.00 H ATOM 841 HB2 ARG A 52 13.752 -2.552 -4.827 1.00 0.00 H ATOM 842 HB3 ARG A 52 13.122 -2.184 -3.220 1.00 0.00 H ATOM 843 HG2 ARG A 52 11.084 -3.410 -3.668 1.00 0.00 H ATOM 844 HG3 ARG A 52 11.539 -3.640 -5.356 1.00 0.00 H ATOM 845 HD2 ARG A 52 12.324 -5.658 -4.578 1.00 0.00 H ATOM 846 HD3 ARG A 52 13.730 -4.689 -4.094 1.00 0.00 H ATOM 847 HE ARG A 52 11.640 -4.535 -2.103 1.00 0.00 H ATOM 848 HH11 ARG A 52 14.171 -6.550 -3.360 1.00 0.00 H ATOM 849 HH12 ARG A 52 14.421 -7.375 -1.860 1.00 0.00 H ATOM 850 HH21 ARG A 52 11.973 -5.614 -0.158 1.00 0.00 H ATOM 851 HH22 ARG A 52 13.183 -6.848 -0.055 1.00 0.00 H ATOM 852 N ALA A 53 11.097 -0.460 -2.727 1.00 0.00 N ATOM 853 CA ALA A 53 9.925 -0.118 -1.867 1.00 0.00 C ATOM 854 C ALA A 53 9.500 1.339 -2.096 1.00 0.00 C ATOM 855 O ALA A 53 8.472 1.774 -1.616 1.00 0.00 O ATOM 856 CB ALA A 53 10.413 -0.314 -0.431 1.00 0.00 C ATOM 857 H ALA A 53 12.001 -0.453 -2.347 1.00 0.00 H ATOM 858 HA ALA A 53 9.104 -0.785 -2.070 1.00 0.00 H ATOM 859 HB1 ALA A 53 11.480 -0.150 -0.387 1.00 0.00 H ATOM 860 HB2 ALA A 53 10.189 -1.320 -0.110 1.00 0.00 H ATOM 861 HB3 ALA A 53 9.914 0.391 0.217 1.00 0.00 H ATOM 862 N ALA A 54 10.277 2.095 -2.826 1.00 0.00 N ATOM 863 CA ALA A 54 9.906 3.518 -3.079 1.00 0.00 C ATOM 864 C ALA A 54 8.931 3.605 -4.256 1.00 0.00 C ATOM 865 O ALA A 54 8.032 4.423 -4.269 1.00 0.00 O ATOM 866 CB ALA A 54 11.222 4.217 -3.419 1.00 0.00 C ATOM 867 H ALA A 54 11.102 1.730 -3.207 1.00 0.00 H ATOM 868 HA ALA A 54 9.471 3.958 -2.196 1.00 0.00 H ATOM 869 HB1 ALA A 54 11.979 3.926 -2.706 1.00 0.00 H ATOM 870 HB2 ALA A 54 11.083 5.287 -3.379 1.00 0.00 H ATOM 871 HB3 ALA A 54 11.536 3.931 -4.412 1.00 0.00 H ATOM 872 N MET A 55 9.102 2.768 -5.243 1.00 0.00 N ATOM 873 CA MET A 55 8.184 2.799 -6.419 1.00 0.00 C ATOM 874 C MET A 55 6.892 2.042 -6.100 1.00 0.00 C ATOM 875 O MET A 55 5.845 2.325 -6.651 1.00 0.00 O ATOM 876 CB MET A 55 8.953 2.101 -7.541 1.00 0.00 C ATOM 877 CG MET A 55 8.141 2.171 -8.835 1.00 0.00 C ATOM 878 SD MET A 55 8.138 3.871 -9.456 1.00 0.00 S ATOM 879 CE MET A 55 9.322 3.622 -10.802 1.00 0.00 C ATOM 880 H MET A 55 9.833 2.115 -5.210 1.00 0.00 H ATOM 881 HA MET A 55 7.966 3.817 -6.698 1.00 0.00 H ATOM 882 HB2 MET A 55 9.905 2.594 -7.685 1.00 0.00 H ATOM 883 HB3 MET A 55 9.119 1.068 -7.277 1.00 0.00 H ATOM 884 HG2 MET A 55 8.585 1.518 -9.574 1.00 0.00 H ATOM 885 HG3 MET A 55 7.126 1.857 -8.641 1.00 0.00 H ATOM 886 HE1 MET A 55 9.158 2.651 -11.250 1.00 0.00 H ATOM 887 HE2 MET A 55 10.326 3.671 -10.414 1.00 0.00 H ATOM 888 HE3 MET A 55 9.187 4.395 -11.546 1.00 0.00 H ATOM 889 N LEU A 56 6.957 1.084 -5.215 1.00 0.00 N ATOM 890 CA LEU A 56 5.732 0.309 -4.860 1.00 0.00 C ATOM 891 C LEU A 56 4.749 1.200 -4.096 1.00 0.00 C ATOM 892 O LEU A 56 3.550 1.123 -4.283 1.00 0.00 O ATOM 893 CB LEU A 56 6.227 -0.834 -3.972 1.00 0.00 C ATOM 894 CG LEU A 56 5.189 -1.957 -3.957 1.00 0.00 C ATOM 895 CD1 LEU A 56 5.077 -2.569 -5.356 1.00 0.00 C ATOM 896 CD2 LEU A 56 5.624 -3.038 -2.964 1.00 0.00 C ATOM 897 H LEU A 56 7.812 0.874 -4.783 1.00 0.00 H ATOM 898 HA LEU A 56 5.267 -0.089 -5.748 1.00 0.00 H ATOM 899 HB2 LEU A 56 7.162 -1.212 -4.359 1.00 0.00 H ATOM 900 HB3 LEU A 56 6.374 -0.470 -2.966 1.00 0.00 H ATOM 901 HG LEU A 56 4.230 -1.558 -3.661 1.00 0.00 H ATOM 902 HD11 LEU A 56 5.989 -2.383 -5.905 1.00 0.00 H ATOM 903 HD12 LEU A 56 4.245 -2.121 -5.879 1.00 0.00 H ATOM 904 HD13 LEU A 56 4.917 -3.633 -5.272 1.00 0.00 H ATOM 905 HD21 LEU A 56 5.590 -2.639 -1.961 1.00 0.00 H ATOM 906 HD22 LEU A 56 6.632 -3.353 -3.192 1.00 0.00 H ATOM 907 HD23 LEU A 56 4.957 -3.884 -3.037 1.00 0.00 H ATOM 908 N ILE A 57 5.250 2.052 -3.240 1.00 0.00 N ATOM 909 CA ILE A 57 4.349 2.958 -2.467 1.00 0.00 C ATOM 910 C ILE A 57 3.819 4.067 -3.381 1.00 0.00 C ATOM 911 O ILE A 57 2.642 4.368 -3.386 1.00 0.00 O ATOM 912 CB ILE A 57 5.222 3.531 -1.335 1.00 0.00 C ATOM 913 CG1 ILE A 57 5.401 2.496 -0.208 1.00 0.00 C ATOM 914 CG2 ILE A 57 4.561 4.784 -0.752 1.00 0.00 C ATOM 915 CD1 ILE A 57 5.649 1.094 -0.775 1.00 0.00 C ATOM 916 H ILE A 57 6.221 2.100 -3.111 1.00 0.00 H ATOM 917 HA ILE A 57 3.527 2.398 -2.048 1.00 0.00 H ATOM 918 HB ILE A 57 6.191 3.795 -1.735 1.00 0.00 H ATOM 919 HG12 ILE A 57 6.242 2.784 0.405 1.00 0.00 H ATOM 920 HG13 ILE A 57 4.510 2.479 0.402 1.00 0.00 H ATOM 921 HG21 ILE A 57 4.831 5.644 -1.348 1.00 0.00 H ATOM 922 HG22 ILE A 57 4.899 4.930 0.263 1.00 0.00 H ATOM 923 HG23 ILE A 57 3.488 4.663 -0.761 1.00 0.00 H ATOM 924 HD11 ILE A 57 4.754 0.740 -1.263 1.00 0.00 H ATOM 925 HD12 ILE A 57 5.909 0.422 0.030 1.00 0.00 H ATOM 926 HD13 ILE A 57 6.458 1.129 -1.486 1.00 0.00 H ATOM 927 N LYS A 58 4.677 4.671 -4.161 1.00 0.00 N ATOM 928 CA LYS A 58 4.210 5.751 -5.078 1.00 0.00 C ATOM 929 C LYS A 58 3.175 5.187 -6.053 1.00 0.00 C ATOM 930 O LYS A 58 2.199 5.831 -6.380 1.00 0.00 O ATOM 931 CB LYS A 58 5.460 6.221 -5.825 1.00 0.00 C ATOM 932 CG LYS A 58 5.554 7.747 -5.754 1.00 0.00 C ATOM 933 CD LYS A 58 6.925 8.203 -6.255 1.00 0.00 C ATOM 934 CE LYS A 58 7.231 9.597 -5.704 1.00 0.00 C ATOM 935 NZ LYS A 58 8.137 10.218 -6.710 1.00 0.00 N ATOM 936 H LYS A 58 5.621 4.410 -4.147 1.00 0.00 H ATOM 937 HA LYS A 58 3.787 6.567 -4.512 1.00 0.00 H ATOM 938 HB2 LYS A 58 6.338 5.785 -5.370 1.00 0.00 H ATOM 939 HB3 LYS A 58 5.401 5.914 -6.859 1.00 0.00 H ATOM 940 HG2 LYS A 58 4.780 8.184 -6.370 1.00 0.00 H ATOM 941 HG3 LYS A 58 5.421 8.068 -4.731 1.00 0.00 H ATOM 942 HD2 LYS A 58 7.680 7.507 -5.917 1.00 0.00 H ATOM 943 HD3 LYS A 58 6.922 8.236 -7.333 1.00 0.00 H ATOM 944 HE2 LYS A 58 6.320 10.171 -5.610 1.00 0.00 H ATOM 945 HE3 LYS A 58 7.732 9.524 -4.751 1.00 0.00 H ATOM 946 HZ1 LYS A 58 8.395 11.176 -6.401 1.00 0.00 H ATOM 947 HZ2 LYS A 58 7.652 10.269 -7.629 1.00 0.00 H ATOM 948 HZ3 LYS A 58 8.999 9.643 -6.804 1.00 0.00 H ATOM 949 N MET A 59 3.380 3.979 -6.513 1.00 0.00 N ATOM 950 CA MET A 59 2.406 3.362 -7.462 1.00 0.00 C ATOM 951 C MET A 59 1.006 3.344 -6.842 1.00 0.00 C ATOM 952 O MET A 59 0.014 3.526 -7.521 1.00 0.00 O ATOM 953 CB MET A 59 2.912 1.935 -7.684 1.00 0.00 C ATOM 954 CG MET A 59 4.054 1.949 -8.701 1.00 0.00 C ATOM 955 SD MET A 59 3.373 2.071 -10.373 1.00 0.00 S ATOM 956 CE MET A 59 4.945 2.266 -11.247 1.00 0.00 C ATOM 957 H MET A 59 4.171 3.476 -6.228 1.00 0.00 H ATOM 958 HA MET A 59 2.398 3.899 -8.397 1.00 0.00 H ATOM 959 HB2 MET A 59 3.267 1.529 -6.747 1.00 0.00 H ATOM 960 HB3 MET A 59 2.107 1.321 -8.059 1.00 0.00 H ATOM 961 HG2 MET A 59 4.695 2.798 -8.511 1.00 0.00 H ATOM 962 HG3 MET A 59 4.628 1.038 -8.612 1.00 0.00 H ATOM 963 HE1 MET A 59 5.083 1.437 -11.927 1.00 0.00 H ATOM 964 HE2 MET A 59 5.754 2.282 -10.535 1.00 0.00 H ATOM 965 HE3 MET A 59 4.936 3.195 -11.800 1.00 0.00 H ATOM 966 N ILE A 60 0.919 3.131 -5.555 1.00 0.00 N ATOM 967 CA ILE A 60 -0.418 3.107 -4.889 1.00 0.00 C ATOM 968 C ILE A 60 -1.142 4.438 -5.123 1.00 0.00 C ATOM 969 O ILE A 60 -2.273 4.471 -5.568 1.00 0.00 O ATOM 970 CB ILE A 60 -0.123 2.908 -3.399 1.00 0.00 C ATOM 971 CG1 ILE A 60 0.503 1.527 -3.182 1.00 0.00 C ATOM 972 CG2 ILE A 60 -1.425 3.005 -2.597 1.00 0.00 C ATOM 973 CD1 ILE A 60 0.883 1.358 -1.707 1.00 0.00 C ATOM 974 H ILE A 60 1.732 2.988 -5.026 1.00 0.00 H ATOM 975 HA ILE A 60 -1.011 2.286 -5.261 1.00 0.00 H ATOM 976 HB ILE A 60 0.563 3.672 -3.062 1.00 0.00 H ATOM 977 HG12 ILE A 60 -0.209 0.763 -3.461 1.00 0.00 H ATOM 978 HG13 ILE A 60 1.389 1.434 -3.792 1.00 0.00 H ATOM 979 HG21 ILE A 60 -1.216 2.844 -1.550 1.00 0.00 H ATOM 980 HG22 ILE A 60 -2.119 2.254 -2.945 1.00 0.00 H ATOM 981 HG23 ILE A 60 -1.858 3.986 -2.731 1.00 0.00 H ATOM 982 HD11 ILE A 60 1.955 1.274 -1.619 1.00 0.00 H ATOM 983 HD12 ILE A 60 0.419 0.465 -1.316 1.00 0.00 H ATOM 984 HD13 ILE A 60 0.541 2.215 -1.145 1.00 0.00 H ATOM 985 N LEU A 61 -0.497 5.533 -4.821 1.00 0.00 N ATOM 986 CA LEU A 61 -1.142 6.860 -5.019 1.00 0.00 C ATOM 987 C LEU A 61 -1.121 7.257 -6.498 1.00 0.00 C ATOM 988 O LEU A 61 -1.986 7.967 -6.972 1.00 0.00 O ATOM 989 CB LEU A 61 -0.297 7.828 -4.190 1.00 0.00 C ATOM 990 CG LEU A 61 -1.005 8.137 -2.869 1.00 0.00 C ATOM 991 CD1 LEU A 61 -2.331 8.849 -3.148 1.00 0.00 C ATOM 992 CD2 LEU A 61 -1.280 6.832 -2.115 1.00 0.00 C ATOM 993 H LEU A 61 0.413 5.484 -4.458 1.00 0.00 H ATOM 994 HA LEU A 61 -2.154 6.845 -4.646 1.00 0.00 H ATOM 995 HB2 LEU A 61 0.665 7.379 -3.985 1.00 0.00 H ATOM 996 HB3 LEU A 61 -0.154 8.742 -4.742 1.00 0.00 H ATOM 997 HG LEU A 61 -0.375 8.773 -2.268 1.00 0.00 H ATOM 998 HD11 LEU A 61 -2.212 9.513 -3.991 1.00 0.00 H ATOM 999 HD12 LEU A 61 -2.623 9.419 -2.280 1.00 0.00 H ATOM 1000 HD13 LEU A 61 -3.092 8.117 -3.372 1.00 0.00 H ATOM 1001 HD21 LEU A 61 -0.345 6.337 -1.902 1.00 0.00 H ATOM 1002 HD22 LEU A 61 -1.899 6.189 -2.724 1.00 0.00 H ATOM 1003 HD23 LEU A 61 -1.790 7.052 -1.189 1.00 0.00 H ATOM 1004 N LYS A 62 -0.137 6.807 -7.232 1.00 0.00 N ATOM 1005 CA LYS A 62 -0.059 7.164 -8.681 1.00 0.00 C ATOM 1006 C LYS A 62 -1.320 6.703 -9.418 1.00 0.00 C ATOM 1007 O LYS A 62 -1.692 7.259 -10.433 1.00 0.00 O ATOM 1008 CB LYS A 62 1.170 6.423 -9.212 1.00 0.00 C ATOM 1009 CG LYS A 62 2.442 7.133 -8.742 1.00 0.00 C ATOM 1010 CD LYS A 62 2.987 8.010 -9.872 1.00 0.00 C ATOM 1011 CE LYS A 62 2.142 9.282 -9.985 1.00 0.00 C ATOM 1012 NZ LYS A 62 3.019 10.263 -10.680 1.00 0.00 N ATOM 1013 H LYS A 62 0.553 6.238 -6.829 1.00 0.00 H ATOM 1014 HA LYS A 62 0.077 8.227 -8.799 1.00 0.00 H ATOM 1015 HB2 LYS A 62 1.165 5.407 -8.839 1.00 0.00 H ATOM 1016 HB3 LYS A 62 1.144 6.410 -10.291 1.00 0.00 H ATOM 1017 HG2 LYS A 62 2.214 7.749 -7.884 1.00 0.00 H ATOM 1018 HG3 LYS A 62 3.184 6.399 -8.470 1.00 0.00 H ATOM 1019 HD2 LYS A 62 4.012 8.276 -9.657 1.00 0.00 H ATOM 1020 HD3 LYS A 62 2.943 7.467 -10.803 1.00 0.00 H ATOM 1021 HE2 LYS A 62 1.251 9.088 -10.568 1.00 0.00 H ATOM 1022 HE3 LYS A 62 1.880 9.648 -9.006 1.00 0.00 H ATOM 1023 HZ1 LYS A 62 2.544 11.187 -10.721 1.00 0.00 H ATOM 1024 HZ2 LYS A 62 3.214 9.930 -11.647 1.00 0.00 H ATOM 1025 HZ3 LYS A 62 3.914 10.360 -10.159 1.00 0.00 H ATOM 1026 N LYS A 63 -1.980 5.693 -8.918 1.00 0.00 N ATOM 1027 CA LYS A 63 -3.214 5.200 -9.596 1.00 0.00 C ATOM 1028 C LYS A 63 -4.425 6.037 -9.169 1.00 0.00 C ATOM 1029 O LYS A 63 -5.017 6.737 -9.966 1.00 0.00 O ATOM 1030 CB LYS A 63 -3.372 3.751 -9.130 1.00 0.00 C ATOM 1031 CG LYS A 63 -4.599 3.127 -9.799 1.00 0.00 C ATOM 1032 CD LYS A 63 -4.159 2.297 -11.006 1.00 0.00 C ATOM 1033 CE LYS A 63 -5.281 2.274 -12.046 1.00 0.00 C ATOM 1034 NZ LYS A 63 -6.300 1.342 -11.489 1.00 0.00 N ATOM 1035 H LYS A 63 -1.664 5.256 -8.100 1.00 0.00 H ATOM 1036 HA LYS A 63 -3.094 5.231 -10.668 1.00 0.00 H ATOM 1037 HB2 LYS A 63 -2.489 3.190 -9.398 1.00 0.00 H ATOM 1038 HB3 LYS A 63 -3.500 3.731 -8.058 1.00 0.00 H ATOM 1039 HG2 LYS A 63 -5.109 2.489 -9.090 1.00 0.00 H ATOM 1040 HG3 LYS A 63 -5.269 3.908 -10.127 1.00 0.00 H ATOM 1041 HD2 LYS A 63 -3.273 2.737 -11.442 1.00 0.00 H ATOM 1042 HD3 LYS A 63 -3.941 1.288 -10.691 1.00 0.00 H ATOM 1043 HE2 LYS A 63 -5.700 3.264 -12.169 1.00 0.00 H ATOM 1044 HE3 LYS A 63 -4.915 1.899 -12.989 1.00 0.00 H ATOM 1045 HZ1 LYS A 63 -5.846 0.444 -11.229 1.00 0.00 H ATOM 1046 HZ2 LYS A 63 -7.036 1.166 -12.203 1.00 0.00 H ATOM 1047 HZ3 LYS A 63 -6.733 1.765 -10.642 1.00 0.00 H ATOM 1048 N ASP A 64 -4.794 5.969 -7.919 1.00 0.00 N ATOM 1049 CA ASP A 64 -5.967 6.761 -7.442 1.00 0.00 C ATOM 1050 C ASP A 64 -5.922 6.912 -5.919 1.00 0.00 C ATOM 1051 O ASP A 64 -5.130 6.282 -5.247 1.00 0.00 O ATOM 1052 CB ASP A 64 -7.192 5.951 -7.865 1.00 0.00 C ATOM 1053 CG ASP A 64 -8.291 6.900 -8.346 1.00 0.00 C ATOM 1054 OD1 ASP A 64 -8.614 7.821 -7.612 1.00 0.00 O ATOM 1055 OD2 ASP A 64 -8.791 6.692 -9.439 1.00 0.00 O ATOM 1056 H ASP A 64 -4.303 5.398 -7.293 1.00 0.00 H ATOM 1057 HA ASP A 64 -5.984 7.730 -7.917 1.00 0.00 H ATOM 1058 HB2 ASP A 64 -6.920 5.278 -8.666 1.00 0.00 H ATOM 1059 HB3 ASP A 64 -7.555 5.380 -7.024 1.00 0.00 H ATOM 1060 N ASN A 65 -6.769 7.742 -5.373 1.00 0.00 N ATOM 1061 CA ASN A 65 -6.781 7.936 -3.893 1.00 0.00 C ATOM 1062 C ASN A 65 -7.629 6.850 -3.222 1.00 0.00 C ATOM 1063 O ASN A 65 -7.495 6.589 -2.042 1.00 0.00 O ATOM 1064 CB ASN A 65 -7.407 9.313 -3.680 1.00 0.00 C ATOM 1065 CG ASN A 65 -6.391 10.398 -4.042 1.00 0.00 C ATOM 1066 OD1 ASN A 65 -5.973 10.500 -5.178 1.00 0.00 O ATOM 1067 ND2 ASN A 65 -5.974 11.218 -3.116 1.00 0.00 N ATOM 1068 H ASN A 65 -7.399 8.239 -5.936 1.00 0.00 H ATOM 1069 HA ASN A 65 -5.776 7.924 -3.504 1.00 0.00 H ATOM 1070 HB2 ASN A 65 -8.281 9.413 -4.309 1.00 0.00 H ATOM 1071 HB3 ASN A 65 -7.694 9.423 -2.645 1.00 0.00 H ATOM 1072 HD21 ASN A 65 -6.311 11.135 -2.200 1.00 0.00 H ATOM 1073 HD22 ASN A 65 -5.322 11.915 -3.338 1.00 0.00 H ATOM 1074 N ASP A 66 -8.500 6.216 -3.962 1.00 0.00 N ATOM 1075 CA ASP A 66 -9.357 5.149 -3.363 1.00 0.00 C ATOM 1076 C ASP A 66 -8.486 4.018 -2.806 1.00 0.00 C ATOM 1077 O ASP A 66 -8.728 3.514 -1.726 1.00 0.00 O ATOM 1078 CB ASP A 66 -10.222 4.640 -4.518 1.00 0.00 C ATOM 1079 CG ASP A 66 -11.112 5.776 -5.028 1.00 0.00 C ATOM 1080 OD1 ASP A 66 -12.039 6.137 -4.322 1.00 0.00 O ATOM 1081 OD2 ASP A 66 -10.851 6.264 -6.115 1.00 0.00 O ATOM 1082 H ASP A 66 -8.593 6.442 -4.911 1.00 0.00 H ATOM 1083 HA ASP A 66 -9.983 5.560 -2.588 1.00 0.00 H ATOM 1084 HB2 ASP A 66 -9.585 4.293 -5.319 1.00 0.00 H ATOM 1085 HB3 ASP A 66 -10.842 3.827 -4.172 1.00 0.00 H ATOM 1086 N SER A 67 -7.478 3.618 -3.533 1.00 0.00 N ATOM 1087 CA SER A 67 -6.592 2.519 -3.044 1.00 0.00 C ATOM 1088 C SER A 67 -5.913 2.927 -1.734 1.00 0.00 C ATOM 1089 O SER A 67 -5.652 2.104 -0.877 1.00 0.00 O ATOM 1090 CB SER A 67 -5.552 2.327 -4.148 1.00 0.00 C ATOM 1091 OG SER A 67 -4.730 1.211 -3.829 1.00 0.00 O ATOM 1092 H SER A 67 -7.303 4.040 -4.401 1.00 0.00 H ATOM 1093 HA SER A 67 -7.158 1.612 -2.910 1.00 0.00 H ATOM 1094 HB2 SER A 67 -6.049 2.144 -5.086 1.00 0.00 H ATOM 1095 HB3 SER A 67 -4.948 3.221 -4.231 1.00 0.00 H ATOM 1096 HG SER A 67 -4.067 1.502 -3.198 1.00 0.00 H ATOM 1097 N TYR A 68 -5.628 4.192 -1.572 1.00 0.00 N ATOM 1098 CA TYR A 68 -4.966 4.657 -0.316 1.00 0.00 C ATOM 1099 C TYR A 68 -5.890 4.423 0.883 1.00 0.00 C ATOM 1100 O TYR A 68 -5.446 4.077 1.962 1.00 0.00 O ATOM 1101 CB TYR A 68 -4.722 6.156 -0.532 1.00 0.00 C ATOM 1102 CG TYR A 68 -4.129 6.781 0.716 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -3.277 6.039 1.547 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -4.435 8.108 1.039 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -2.734 6.626 2.697 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -3.892 8.694 2.189 1.00 0.00 C ATOM 1107 CZ TYR A 68 -3.042 7.952 3.018 1.00 0.00 C ATOM 1108 OH TYR A 68 -2.505 8.531 4.150 1.00 0.00 O ATOM 1109 H TYR A 68 -5.850 4.835 -2.277 1.00 0.00 H ATOM 1110 HA TYR A 68 -4.027 4.146 -0.175 1.00 0.00 H ATOM 1111 HB2 TYR A 68 -4.039 6.291 -1.357 1.00 0.00 H ATOM 1112 HB3 TYR A 68 -5.659 6.640 -0.763 1.00 0.00 H ATOM 1113 HD1 TYR A 68 -3.039 5.015 1.300 1.00 0.00 H ATOM 1114 HD2 TYR A 68 -5.091 8.682 0.401 1.00 0.00 H ATOM 1115 HE1 TYR A 68 -2.078 6.054 3.337 1.00 0.00 H ATOM 1116 HE2 TYR A 68 -4.128 9.719 2.436 1.00 0.00 H ATOM 1117 HH TYR A 68 -1.712 9.007 3.894 1.00 0.00 H ATOM 1118 N VAL A 69 -7.169 4.610 0.703 1.00 0.00 N ATOM 1119 CA VAL A 69 -8.122 4.399 1.833 1.00 0.00 C ATOM 1120 C VAL A 69 -8.263 2.904 2.135 1.00 0.00 C ATOM 1121 O VAL A 69 -8.475 2.508 3.264 1.00 0.00 O ATOM 1122 CB VAL A 69 -9.453 4.977 1.349 1.00 0.00 C ATOM 1123 CG1 VAL A 69 -10.499 4.850 2.457 1.00 0.00 C ATOM 1124 CG2 VAL A 69 -9.267 6.455 0.993 1.00 0.00 C ATOM 1125 H VAL A 69 -7.504 4.888 -0.175 1.00 0.00 H ATOM 1126 HA VAL A 69 -7.787 4.929 2.710 1.00 0.00 H ATOM 1127 HB VAL A 69 -9.785 4.434 0.476 1.00 0.00 H ATOM 1128 HG11 VAL A 69 -11.023 3.911 2.352 1.00 0.00 H ATOM 1129 HG12 VAL A 69 -11.203 5.665 2.384 1.00 0.00 H ATOM 1130 HG13 VAL A 69 -10.009 4.882 3.420 1.00 0.00 H ATOM 1131 HG21 VAL A 69 -10.218 6.880 0.711 1.00 0.00 H ATOM 1132 HG22 VAL A 69 -8.576 6.542 0.168 1.00 0.00 H ATOM 1133 HG23 VAL A 69 -8.875 6.985 1.848 1.00 0.00 H ATOM 1134 N SER A 70 -8.145 2.071 1.134 1.00 0.00 N ATOM 1135 CA SER A 70 -8.271 0.602 1.369 1.00 0.00 C ATOM 1136 C SER A 70 -7.060 0.091 2.156 1.00 0.00 C ATOM 1137 O SER A 70 -7.195 -0.682 3.083 1.00 0.00 O ATOM 1138 CB SER A 70 -8.313 -0.024 -0.023 1.00 0.00 C ATOM 1139 OG SER A 70 -8.665 -1.396 0.093 1.00 0.00 O ATOM 1140 H SER A 70 -7.972 2.411 0.232 1.00 0.00 H ATOM 1141 HA SER A 70 -9.184 0.384 1.900 1.00 0.00 H ATOM 1142 HB2 SER A 70 -9.050 0.481 -0.626 1.00 0.00 H ATOM 1143 HB3 SER A 70 -7.342 0.071 -0.491 1.00 0.00 H ATOM 1144 HG SER A 70 -9.300 -1.599 -0.598 1.00 0.00 H ATOM 1145 N PHE A 71 -5.879 0.524 1.798 1.00 0.00 N ATOM 1146 CA PHE A 71 -4.658 0.070 2.531 1.00 0.00 C ATOM 1147 C PHE A 71 -4.829 0.338 4.032 1.00 0.00 C ATOM 1148 O PHE A 71 -4.387 -0.429 4.863 1.00 0.00 O ATOM 1149 CB PHE A 71 -3.511 0.902 1.935 1.00 0.00 C ATOM 1150 CG PHE A 71 -2.413 1.108 2.958 1.00 0.00 C ATOM 1151 CD1 PHE A 71 -1.359 0.190 3.055 1.00 0.00 C ATOM 1152 CD2 PHE A 71 -2.449 2.223 3.802 1.00 0.00 C ATOM 1153 CE1 PHE A 71 -0.343 0.391 3.999 1.00 0.00 C ATOM 1154 CE2 PHE A 71 -1.435 2.423 4.744 1.00 0.00 C ATOM 1155 CZ PHE A 71 -0.381 1.508 4.842 1.00 0.00 C ATOM 1156 H PHE A 71 -5.795 1.153 1.050 1.00 0.00 H ATOM 1157 HA PHE A 71 -4.483 -0.979 2.354 1.00 0.00 H ATOM 1158 HB2 PHE A 71 -3.106 0.386 1.078 1.00 0.00 H ATOM 1159 HB3 PHE A 71 -3.893 1.862 1.624 1.00 0.00 H ATOM 1160 HD1 PHE A 71 -1.329 -0.672 2.405 1.00 0.00 H ATOM 1161 HD2 PHE A 71 -3.262 2.930 3.728 1.00 0.00 H ATOM 1162 HE1 PHE A 71 0.471 -0.316 4.075 1.00 0.00 H ATOM 1163 HE2 PHE A 71 -1.465 3.283 5.396 1.00 0.00 H ATOM 1164 HZ PHE A 71 0.403 1.664 5.569 1.00 0.00 H ATOM 1165 N TYR A 72 -5.476 1.420 4.377 1.00 0.00 N ATOM 1166 CA TYR A 72 -5.686 1.736 5.820 1.00 0.00 C ATOM 1167 C TYR A 72 -6.557 0.657 6.467 1.00 0.00 C ATOM 1168 O TYR A 72 -6.337 0.262 7.596 1.00 0.00 O ATOM 1169 CB TYR A 72 -6.402 3.090 5.829 1.00 0.00 C ATOM 1170 CG TYR A 72 -6.717 3.494 7.253 1.00 0.00 C ATOM 1171 CD1 TYR A 72 -5.716 3.456 8.232 1.00 0.00 C ATOM 1172 CD2 TYR A 72 -8.011 3.907 7.592 1.00 0.00 C ATOM 1173 CE1 TYR A 72 -6.010 3.833 9.548 1.00 0.00 C ATOM 1174 CE2 TYR A 72 -8.305 4.284 8.907 1.00 0.00 C ATOM 1175 CZ TYR A 72 -7.304 4.246 9.885 1.00 0.00 C ATOM 1176 OH TYR A 72 -7.593 4.617 11.183 1.00 0.00 O ATOM 1177 H TYR A 72 -5.828 2.020 3.686 1.00 0.00 H ATOM 1178 HA TYR A 72 -4.738 1.815 6.330 1.00 0.00 H ATOM 1179 HB2 TYR A 72 -5.766 3.835 5.377 1.00 0.00 H ATOM 1180 HB3 TYR A 72 -7.321 3.013 5.267 1.00 0.00 H ATOM 1181 HD1 TYR A 72 -4.718 3.137 7.972 1.00 0.00 H ATOM 1182 HD2 TYR A 72 -8.784 3.936 6.836 1.00 0.00 H ATOM 1183 HE1 TYR A 72 -5.239 3.804 10.303 1.00 0.00 H ATOM 1184 HE2 TYR A 72 -9.303 4.603 9.168 1.00 0.00 H ATOM 1185 HH TYR A 72 -7.017 5.348 11.419 1.00 0.00 H ATOM 1186 N ASN A 73 -7.542 0.175 5.757 1.00 0.00 N ATOM 1187 CA ASN A 73 -8.431 -0.880 6.326 1.00 0.00 C ATOM 1188 C ASN A 73 -7.786 -2.260 6.160 1.00 0.00 C ATOM 1189 O ASN A 73 -8.063 -3.178 6.908 1.00 0.00 O ATOM 1190 CB ASN A 73 -9.722 -0.791 5.514 1.00 0.00 C ATOM 1191 CG ASN A 73 -10.835 -1.548 6.239 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -10.608 -2.609 6.787 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -12.040 -1.046 6.266 1.00 0.00 N ATOM 1194 H ASN A 73 -7.698 0.508 4.849 1.00 0.00 H ATOM 1195 HA ASN A 73 -8.634 -0.682 7.366 1.00 0.00 H ATOM 1196 HB2 ASN A 73 -10.006 0.246 5.402 1.00 0.00 H ATOM 1197 HB3 ASN A 73 -9.567 -1.229 4.539 1.00 0.00 H ATOM 1198 HD21 ASN A 73 -12.223 -0.190 5.825 1.00 0.00 H ATOM 1199 HD22 ASN A 73 -12.760 -1.523 6.728 1.00 0.00 H ATOM 1200 N ALA A 74 -6.930 -2.414 5.185 1.00 0.00 N ATOM 1201 CA ALA A 74 -6.268 -3.735 4.971 1.00 0.00 C ATOM 1202 C ALA A 74 -5.341 -4.056 6.147 1.00 0.00 C ATOM 1203 O ALA A 74 -5.204 -5.196 6.546 1.00 0.00 O ATOM 1204 CB ALA A 74 -5.463 -3.576 3.680 1.00 0.00 C ATOM 1205 H ALA A 74 -6.722 -1.661 4.592 1.00 0.00 H ATOM 1206 HA ALA A 74 -7.007 -4.511 4.851 1.00 0.00 H ATOM 1207 HB1 ALA A 74 -5.277 -4.548 3.249 1.00 0.00 H ATOM 1208 HB2 ALA A 74 -4.521 -3.093 3.900 1.00 0.00 H ATOM 1209 HB3 ALA A 74 -6.021 -2.972 2.979 1.00 0.00 H ATOM 1210 N LEU A 75 -4.706 -3.060 6.702 1.00 0.00 N ATOM 1211 CA LEU A 75 -3.789 -3.305 7.852 1.00 0.00 C ATOM 1212 C LEU A 75 -4.596 -3.490 9.140 1.00 0.00 C ATOM 1213 O LEU A 75 -4.286 -4.330 9.963 1.00 0.00 O ATOM 1214 CB LEU A 75 -2.918 -2.052 7.940 1.00 0.00 C ATOM 1215 CG LEU A 75 -1.853 -2.091 6.842 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -1.194 -0.716 6.722 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -0.790 -3.134 7.197 1.00 0.00 C ATOM 1218 H LEU A 75 -4.834 -2.149 6.364 1.00 0.00 H ATOM 1219 HA LEU A 75 -3.174 -4.171 7.666 1.00 0.00 H ATOM 1220 HB2 LEU A 75 -3.535 -1.175 7.812 1.00 0.00 H ATOM 1221 HB3 LEU A 75 -2.435 -2.014 8.905 1.00 0.00 H ATOM 1222 HG LEU A 75 -2.317 -2.351 5.901 1.00 0.00 H ATOM 1223 HD11 LEU A 75 -1.021 -0.313 7.709 1.00 0.00 H ATOM 1224 HD12 LEU A 75 -1.843 -0.052 6.171 1.00 0.00 H ATOM 1225 HD13 LEU A 75 -0.252 -0.813 6.202 1.00 0.00 H ATOM 1226 HD21 LEU A 75 -0.383 -3.556 6.289 1.00 0.00 H ATOM 1227 HD22 LEU A 75 -1.238 -3.919 7.788 1.00 0.00 H ATOM 1228 HD23 LEU A 75 0.001 -2.665 7.761 1.00 0.00 H ATOM 1229 N LEU A 76 -5.630 -2.712 9.319 1.00 0.00 N ATOM 1230 CA LEU A 76 -6.461 -2.843 10.554 1.00 0.00 C ATOM 1231 C LEU A 76 -7.170 -4.201 10.579 1.00 0.00 C ATOM 1232 O LEU A 76 -7.672 -4.631 11.599 1.00 0.00 O ATOM 1233 CB LEU A 76 -7.486 -1.709 10.467 1.00 0.00 C ATOM 1234 CG LEU A 76 -6.763 -0.361 10.443 1.00 0.00 C ATOM 1235 CD1 LEU A 76 -7.710 0.718 9.915 1.00 0.00 C ATOM 1236 CD2 LEU A 76 -6.320 0.003 11.862 1.00 0.00 C ATOM 1237 H LEU A 76 -5.862 -2.043 8.642 1.00 0.00 H ATOM 1238 HA LEU A 76 -5.851 -2.719 11.435 1.00 0.00 H ATOM 1239 HB2 LEU A 76 -8.069 -1.821 9.564 1.00 0.00 H ATOM 1240 HB3 LEU A 76 -8.141 -1.749 11.324 1.00 0.00 H ATOM 1241 HG LEU A 76 -5.899 -0.428 9.798 1.00 0.00 H ATOM 1242 HD11 LEU A 76 -7.167 1.641 9.784 1.00 0.00 H ATOM 1243 HD12 LEU A 76 -8.513 0.869 10.621 1.00 0.00 H ATOM 1244 HD13 LEU A 76 -8.121 0.403 8.967 1.00 0.00 H ATOM 1245 HD21 LEU A 76 -5.840 0.971 11.851 1.00 0.00 H ATOM 1246 HD22 LEU A 76 -5.623 -0.739 12.223 1.00 0.00 H ATOM 1247 HD23 LEU A 76 -7.182 0.034 12.511 1.00 0.00 H ATOM 1248 N HIS A 77 -7.221 -4.878 9.460 1.00 0.00 N ATOM 1249 CA HIS A 77 -7.902 -6.205 9.415 1.00 0.00 C ATOM 1250 C HIS A 77 -7.156 -7.223 10.284 1.00 0.00 C ATOM 1251 O HIS A 77 -7.735 -8.176 10.770 1.00 0.00 O ATOM 1252 CB HIS A 77 -7.859 -6.623 7.945 1.00 0.00 C ATOM 1253 CG HIS A 77 -8.717 -7.841 7.742 1.00 0.00 C ATOM 1254 ND1 HIS A 77 -8.266 -9.119 8.028 1.00 0.00 N ATOM 1255 CD2 HIS A 77 -10.001 -7.991 7.278 1.00 0.00 C ATOM 1256 CE1 HIS A 77 -9.262 -9.976 7.738 1.00 0.00 C ATOM 1257 NE2 HIS A 77 -10.343 -9.340 7.277 1.00 0.00 N ATOM 1258 H HIS A 77 -6.815 -4.511 8.647 1.00 0.00 H ATOM 1259 HA HIS A 77 -8.927 -6.113 9.740 1.00 0.00 H ATOM 1260 HB2 HIS A 77 -8.228 -5.815 7.331 1.00 0.00 H ATOM 1261 HB3 HIS A 77 -6.840 -6.850 7.666 1.00 0.00 H ATOM 1262 HD1 HIS A 77 -7.381 -9.357 8.379 1.00 0.00 H ATOM 1263 HD2 HIS A 77 -10.646 -7.186 6.962 1.00 0.00 H ATOM 1264 HE1 HIS A 77 -9.196 -11.046 7.861 1.00 0.00 H ATOM 1265 N GLU A 78 -5.878 -7.035 10.480 1.00 0.00 N ATOM 1266 CA GLU A 78 -5.101 -8.000 11.314 1.00 0.00 C ATOM 1267 C GLU A 78 -4.732 -7.372 12.662 1.00 0.00 C ATOM 1268 O GLU A 78 -5.314 -7.688 13.681 1.00 0.00 O ATOM 1269 CB GLU A 78 -3.843 -8.302 10.499 1.00 0.00 C ATOM 1270 CG GLU A 78 -4.175 -9.316 9.403 1.00 0.00 C ATOM 1271 CD GLU A 78 -2.883 -9.780 8.727 1.00 0.00 C ATOM 1272 OE1 GLU A 78 -2.024 -10.292 9.425 1.00 0.00 O ATOM 1273 OE2 GLU A 78 -2.777 -9.616 7.522 1.00 0.00 O ATOM 1274 H GLU A 78 -5.429 -6.263 10.077 1.00 0.00 H ATOM 1275 HA GLU A 78 -5.666 -8.906 11.463 1.00 0.00 H ATOM 1276 HB2 GLU A 78 -3.478 -7.390 10.049 1.00 0.00 H ATOM 1277 HB3 GLU A 78 -3.084 -8.712 11.148 1.00 0.00 H ATOM 1278 HG2 GLU A 78 -4.680 -10.166 9.840 1.00 0.00 H ATOM 1279 HG3 GLU A 78 -4.817 -8.854 8.668 1.00 0.00 H ATOM 1280 N GLY A 79 -3.771 -6.487 12.675 1.00 0.00 N ATOM 1281 CA GLY A 79 -3.366 -5.844 13.958 1.00 0.00 C ATOM 1282 C GLY A 79 -2.316 -4.766 13.680 1.00 0.00 C ATOM 1283 O GLY A 79 -1.189 -4.855 14.129 1.00 0.00 O ATOM 1284 H GLY A 79 -3.315 -6.248 11.842 1.00 0.00 H ATOM 1285 HA2 GLY A 79 -4.231 -5.393 14.424 1.00 0.00 H ATOM 1286 HA3 GLY A 79 -2.947 -6.588 14.618 1.00 0.00 H ATOM 1287 N TYR A 80 -2.676 -3.753 12.942 1.00 0.00 N ATOM 1288 CA TYR A 80 -1.704 -2.665 12.630 1.00 0.00 C ATOM 1289 C TYR A 80 -2.272 -1.304 13.044 1.00 0.00 C ATOM 1290 O TYR A 80 -1.795 -0.270 12.620 1.00 0.00 O ATOM 1291 CB TYR A 80 -1.513 -2.731 11.114 1.00 0.00 C ATOM 1292 CG TYR A 80 -0.508 -3.806 10.780 1.00 0.00 C ATOM 1293 CD1 TYR A 80 0.818 -3.686 11.216 1.00 0.00 C ATOM 1294 CD2 TYR A 80 -0.901 -4.926 10.036 1.00 0.00 C ATOM 1295 CE1 TYR A 80 1.749 -4.684 10.907 1.00 0.00 C ATOM 1296 CE2 TYR A 80 0.031 -5.924 9.729 1.00 0.00 C ATOM 1297 CZ TYR A 80 1.356 -5.802 10.164 1.00 0.00 C ATOM 1298 OH TYR A 80 2.275 -6.786 9.860 1.00 0.00 O ATOM 1299 H TYR A 80 -3.591 -3.705 12.592 1.00 0.00 H ATOM 1300 HA TYR A 80 -0.763 -2.849 13.127 1.00 0.00 H ATOM 1301 HB2 TYR A 80 -2.457 -2.961 10.643 1.00 0.00 H ATOM 1302 HB3 TYR A 80 -1.153 -1.778 10.754 1.00 0.00 H ATOM 1303 HD1 TYR A 80 1.121 -2.822 11.789 1.00 0.00 H ATOM 1304 HD2 TYR A 80 -1.923 -5.019 9.701 1.00 0.00 H ATOM 1305 HE1 TYR A 80 2.771 -4.590 11.243 1.00 0.00 H ATOM 1306 HE2 TYR A 80 -0.272 -6.787 9.154 1.00 0.00 H ATOM 1307 HH TYR A 80 1.840 -7.637 9.949 1.00 0.00 H ATOM 1308 N LYS A 81 -3.294 -1.298 13.864 1.00 0.00 N ATOM 1309 CA LYS A 81 -3.910 -0.008 14.308 1.00 0.00 C ATOM 1310 C LYS A 81 -2.833 0.999 14.733 1.00 0.00 C ATOM 1311 O LYS A 81 -3.014 2.196 14.620 1.00 0.00 O ATOM 1312 CB LYS A 81 -4.788 -0.384 15.502 1.00 0.00 C ATOM 1313 CG LYS A 81 -5.621 0.827 15.928 1.00 0.00 C ATOM 1314 CD LYS A 81 -6.362 0.506 17.228 1.00 0.00 C ATOM 1315 CE LYS A 81 -5.363 0.452 18.385 1.00 0.00 C ATOM 1316 NZ LYS A 81 -6.179 0.692 19.608 1.00 0.00 N ATOM 1317 H LYS A 81 -3.664 -2.147 14.186 1.00 0.00 H ATOM 1318 HA LYS A 81 -4.521 0.406 13.522 1.00 0.00 H ATOM 1319 HB2 LYS A 81 -5.446 -1.194 15.223 1.00 0.00 H ATOM 1320 HB3 LYS A 81 -4.163 -0.694 16.325 1.00 0.00 H ATOM 1321 HG2 LYS A 81 -4.969 1.675 16.083 1.00 0.00 H ATOM 1322 HG3 LYS A 81 -6.338 1.060 15.155 1.00 0.00 H ATOM 1323 HD2 LYS A 81 -7.098 1.274 17.421 1.00 0.00 H ATOM 1324 HD3 LYS A 81 -6.855 -0.451 17.135 1.00 0.00 H ATOM 1325 HE2 LYS A 81 -4.892 -0.521 18.429 1.00 0.00 H ATOM 1326 HE3 LYS A 81 -4.620 1.227 18.279 1.00 0.00 H ATOM 1327 HZ1 LYS A 81 -6.591 1.646 19.569 1.00 0.00 H ATOM 1328 HZ2 LYS A 81 -5.574 0.609 20.450 1.00 0.00 H ATOM 1329 HZ3 LYS A 81 -6.943 -0.011 19.658 1.00 0.00 H ATOM 1330 N ASP A 82 -1.716 0.524 15.217 1.00 0.00 N ATOM 1331 CA ASP A 82 -0.632 1.460 15.644 1.00 0.00 C ATOM 1332 C ASP A 82 -0.141 2.277 14.446 1.00 0.00 C ATOM 1333 O ASP A 82 -0.300 3.483 14.396 1.00 0.00 O ATOM 1334 CB ASP A 82 0.486 0.561 16.175 1.00 0.00 C ATOM 1335 CG ASP A 82 0.057 -0.055 17.508 1.00 0.00 C ATOM 1336 OD1 ASP A 82 -0.651 -1.048 17.478 1.00 0.00 O ATOM 1337 OD2 ASP A 82 0.446 0.476 18.535 1.00 0.00 O ATOM 1338 H ASP A 82 -1.590 -0.444 15.298 1.00 0.00 H ATOM 1339 HA ASP A 82 -0.985 2.112 16.427 1.00 0.00 H ATOM 1340 HB2 ASP A 82 0.686 -0.225 15.461 1.00 0.00 H ATOM 1341 HB3 ASP A 82 1.380 1.148 16.323 1.00 0.00 H ATOM 1342 N LEU A 83 0.451 1.629 13.478 1.00 0.00 N ATOM 1343 CA LEU A 83 0.949 2.367 12.281 1.00 0.00 C ATOM 1344 C LEU A 83 -0.230 2.936 11.488 1.00 0.00 C ATOM 1345 O LEU A 83 -0.178 4.043 10.991 1.00 0.00 O ATOM 1346 CB LEU A 83 1.701 1.325 11.450 1.00 0.00 C ATOM 1347 CG LEU A 83 2.285 1.989 10.200 1.00 0.00 C ATOM 1348 CD1 LEU A 83 3.638 1.359 9.872 1.00 0.00 C ATOM 1349 CD2 LEU A 83 1.330 1.785 9.021 1.00 0.00 C ATOM 1350 H LEU A 83 0.564 0.658 13.538 1.00 0.00 H ATOM 1351 HA LEU A 83 1.620 3.157 12.578 1.00 0.00 H ATOM 1352 HB2 LEU A 83 2.500 0.903 12.042 1.00 0.00 H ATOM 1353 HB3 LEU A 83 1.019 0.541 11.154 1.00 0.00 H ATOM 1354 HG LEU A 83 2.415 3.047 10.382 1.00 0.00 H ATOM 1355 HD11 LEU A 83 4.375 1.698 10.583 1.00 0.00 H ATOM 1356 HD12 LEU A 83 3.939 1.650 8.876 1.00 0.00 H ATOM 1357 HD13 LEU A 83 3.556 0.284 9.922 1.00 0.00 H ATOM 1358 HD21 LEU A 83 1.821 2.083 8.105 1.00 0.00 H ATOM 1359 HD22 LEU A 83 0.445 2.386 9.165 1.00 0.00 H ATOM 1360 HD23 LEU A 83 1.053 0.744 8.958 1.00 0.00 H ATOM 1361 N ALA A 84 -1.294 2.185 11.370 1.00 0.00 N ATOM 1362 CA ALA A 84 -2.482 2.677 10.610 1.00 0.00 C ATOM 1363 C ALA A 84 -2.910 4.053 11.127 1.00 0.00 C ATOM 1364 O ALA A 84 -3.283 4.924 10.365 1.00 0.00 O ATOM 1365 CB ALA A 84 -3.577 1.642 10.869 1.00 0.00 C ATOM 1366 H ALA A 84 -1.311 1.295 11.781 1.00 0.00 H ATOM 1367 HA ALA A 84 -2.261 2.723 9.555 1.00 0.00 H ATOM 1368 HB1 ALA A 84 -3.960 1.768 11.871 1.00 0.00 H ATOM 1369 HB2 ALA A 84 -3.167 0.649 10.763 1.00 0.00 H ATOM 1370 HB3 ALA A 84 -4.378 1.780 10.157 1.00 0.00 H ATOM 1371 N ALA A 85 -2.854 4.254 12.416 1.00 0.00 N ATOM 1372 CA ALA A 85 -3.252 5.576 12.982 1.00 0.00 C ATOM 1373 C ALA A 85 -2.315 6.668 12.463 1.00 0.00 C ATOM 1374 O ALA A 85 -2.732 7.772 12.176 1.00 0.00 O ATOM 1375 CB ALA A 85 -3.107 5.419 14.497 1.00 0.00 C ATOM 1376 H ALA A 85 -2.547 3.538 13.010 1.00 0.00 H ATOM 1377 HA ALA A 85 -4.275 5.803 12.730 1.00 0.00 H ATOM 1378 HB1 ALA A 85 -2.083 5.609 14.783 1.00 0.00 H ATOM 1379 HB2 ALA A 85 -3.380 4.414 14.783 1.00 0.00 H ATOM 1380 HB3 ALA A 85 -3.757 6.124 14.995 1.00 0.00 H ATOM 1381 N LEU A 86 -1.049 6.364 12.338 1.00 0.00 N ATOM 1382 CA LEU A 86 -0.076 7.381 11.833 1.00 0.00 C ATOM 1383 C LEU A 86 -0.562 7.980 10.508 1.00 0.00 C ATOM 1384 O LEU A 86 -0.544 9.181 10.316 1.00 0.00 O ATOM 1385 CB LEU A 86 1.230 6.612 11.624 1.00 0.00 C ATOM 1386 CG LEU A 86 2.355 7.595 11.292 1.00 0.00 C ATOM 1387 CD1 LEU A 86 3.665 7.101 11.910 1.00 0.00 C ATOM 1388 CD2 LEU A 86 2.516 7.692 9.774 1.00 0.00 C ATOM 1389 H LEU A 86 -0.738 5.465 12.575 1.00 0.00 H ATOM 1390 HA LEU A 86 0.069 8.158 12.566 1.00 0.00 H ATOM 1391 HB2 LEU A 86 1.477 6.071 12.526 1.00 0.00 H ATOM 1392 HB3 LEU A 86 1.110 5.916 10.808 1.00 0.00 H ATOM 1393 HG LEU A 86 2.113 8.568 11.694 1.00 0.00 H ATOM 1394 HD11 LEU A 86 4.495 7.423 11.299 1.00 0.00 H ATOM 1395 HD12 LEU A 86 3.654 6.022 11.961 1.00 0.00 H ATOM 1396 HD13 LEU A 86 3.771 7.508 12.905 1.00 0.00 H ATOM 1397 HD21 LEU A 86 2.869 8.679 9.511 1.00 0.00 H ATOM 1398 HD22 LEU A 86 1.563 7.512 9.298 1.00 0.00 H ATOM 1399 HD23 LEU A 86 3.230 6.955 9.439 1.00 0.00 H ATOM 1400 N LEU A 87 -0.995 7.152 9.595 1.00 0.00 N ATOM 1401 CA LEU A 87 -1.480 7.674 8.282 1.00 0.00 C ATOM 1402 C LEU A 87 -2.843 8.353 8.451 1.00 0.00 C ATOM 1403 O LEU A 87 -3.061 9.453 7.982 1.00 0.00 O ATOM 1404 CB LEU A 87 -1.608 6.441 7.382 1.00 0.00 C ATOM 1405 CG LEU A 87 -0.238 5.768 7.222 1.00 0.00 C ATOM 1406 CD1 LEU A 87 -0.269 4.379 7.864 1.00 0.00 C ATOM 1407 CD2 LEU A 87 0.093 5.626 5.732 1.00 0.00 C ATOM 1408 H LEU A 87 -1.000 6.188 9.771 1.00 0.00 H ATOM 1409 HA LEU A 87 -0.764 8.363 7.863 1.00 0.00 H ATOM 1410 HB2 LEU A 87 -2.304 5.744 7.827 1.00 0.00 H ATOM 1411 HB3 LEU A 87 -1.975 6.743 6.412 1.00 0.00 H ATOM 1412 HG LEU A 87 0.518 6.370 7.704 1.00 0.00 H ATOM 1413 HD11 LEU A 87 0.282 3.683 7.247 1.00 0.00 H ATOM 1414 HD12 LEU A 87 -1.293 4.045 7.956 1.00 0.00 H ATOM 1415 HD13 LEU A 87 0.183 4.426 8.843 1.00 0.00 H ATOM 1416 HD21 LEU A 87 0.945 4.972 5.614 1.00 0.00 H ATOM 1417 HD22 LEU A 87 0.327 6.597 5.321 1.00 0.00 H ATOM 1418 HD23 LEU A 87 -0.756 5.209 5.212 1.00 0.00 H ATOM 1419 N HIS A 88 -3.761 7.702 9.114 1.00 0.00 N ATOM 1420 CA HIS A 88 -5.116 8.301 9.310 1.00 0.00 C ATOM 1421 C HIS A 88 -5.037 9.560 10.183 1.00 0.00 C ATOM 1422 O HIS A 88 -5.960 10.349 10.228 1.00 0.00 O ATOM 1423 CB HIS A 88 -5.930 7.215 10.014 1.00 0.00 C ATOM 1424 CG HIS A 88 -7.371 7.637 10.091 1.00 0.00 C ATOM 1425 ND1 HIS A 88 -8.198 7.649 8.979 1.00 0.00 N ATOM 1426 CD2 HIS A 88 -8.149 8.059 11.141 1.00 0.00 C ATOM 1427 CE1 HIS A 88 -9.412 8.068 9.381 1.00 0.00 C ATOM 1428 NE2 HIS A 88 -9.437 8.330 10.690 1.00 0.00 N ATOM 1429 H HIS A 88 -3.562 6.815 9.479 1.00 0.00 H ATOM 1430 HA HIS A 88 -5.565 8.534 8.357 1.00 0.00 H ATOM 1431 HB2 HIS A 88 -5.853 6.293 9.458 1.00 0.00 H ATOM 1432 HB3 HIS A 88 -5.544 7.067 11.012 1.00 0.00 H ATOM 1433 HD1 HIS A 88 -7.943 7.400 8.066 1.00 0.00 H ATOM 1434 HD2 HIS A 88 -7.812 8.165 12.162 1.00 0.00 H ATOM 1435 HE1 HIS A 88 -10.263 8.176 8.725 1.00 0.00 H ATOM 1436 N ASP A 89 -3.947 9.753 10.878 1.00 0.00 N ATOM 1437 CA ASP A 89 -3.823 10.961 11.748 1.00 0.00 C ATOM 1438 C ASP A 89 -3.325 12.164 10.939 1.00 0.00 C ATOM 1439 O ASP A 89 -3.403 13.292 11.384 1.00 0.00 O ATOM 1440 CB ASP A 89 -2.799 10.576 12.818 1.00 0.00 C ATOM 1441 CG ASP A 89 -3.485 9.744 13.903 1.00 0.00 C ATOM 1442 OD1 ASP A 89 -4.636 10.020 14.196 1.00 0.00 O ATOM 1443 OD2 ASP A 89 -2.846 8.844 14.423 1.00 0.00 O ATOM 1444 H ASP A 89 -3.214 9.105 10.833 1.00 0.00 H ATOM 1445 HA ASP A 89 -4.769 11.187 12.212 1.00 0.00 H ATOM 1446 HB2 ASP A 89 -2.007 9.997 12.365 1.00 0.00 H ATOM 1447 HB3 ASP A 89 -2.387 11.470 13.260 1.00 0.00 H ATOM 1448 N GLY A 90 -2.809 11.936 9.758 1.00 0.00 N ATOM 1449 CA GLY A 90 -2.304 13.074 8.936 1.00 0.00 C ATOM 1450 C GLY A 90 -3.200 13.279 7.711 1.00 0.00 C ATOM 1451 O GLY A 90 -3.241 14.351 7.138 1.00 0.00 O ATOM 1452 H GLY A 90 -2.749 11.020 9.416 1.00 0.00 H ATOM 1453 HA2 GLY A 90 -2.303 13.973 9.536 1.00 0.00 H ATOM 1454 HA3 GLY A 90 -1.299 12.860 8.608 1.00 0.00 H ATOM 1455 N ILE A 91 -3.914 12.264 7.299 1.00 0.00 N ATOM 1456 CA ILE A 91 -4.799 12.412 6.105 1.00 0.00 C ATOM 1457 C ILE A 91 -5.862 13.501 6.343 1.00 0.00 C ATOM 1458 O ILE A 91 -6.007 14.396 5.532 1.00 0.00 O ATOM 1459 CB ILE A 91 -5.443 11.034 5.903 1.00 0.00 C ATOM 1460 CG1 ILE A 91 -4.377 10.048 5.418 1.00 0.00 C ATOM 1461 CG2 ILE A 91 -6.556 11.126 4.856 1.00 0.00 C ATOM 1462 CD1 ILE A 91 -4.840 8.615 5.694 1.00 0.00 C ATOM 1463 H ILE A 91 -3.866 11.406 7.770 1.00 0.00 H ATOM 1464 HA ILE A 91 -4.206 12.663 5.239 1.00 0.00 H ATOM 1465 HB ILE A 91 -5.853 10.685 6.837 1.00 0.00 H ATOM 1466 HG12 ILE A 91 -4.224 10.179 4.356 1.00 0.00 H ATOM 1467 HG13 ILE A 91 -3.452 10.233 5.940 1.00 0.00 H ATOM 1468 HG21 ILE A 91 -7.311 11.820 5.193 1.00 0.00 H ATOM 1469 HG22 ILE A 91 -7.000 10.151 4.717 1.00 0.00 H ATOM 1470 HG23 ILE A 91 -6.142 11.470 3.920 1.00 0.00 H ATOM 1471 HD11 ILE A 91 -4.045 8.068 6.179 1.00 0.00 H ATOM 1472 HD12 ILE A 91 -5.091 8.132 4.761 1.00 0.00 H ATOM 1473 HD13 ILE A 91 -5.709 8.632 6.335 1.00 0.00 H ATOM 1474 N PRO A 92 -6.578 13.401 7.441 1.00 0.00 N ATOM 1475 CA PRO A 92 -7.624 14.410 7.744 1.00 0.00 C ATOM 1476 C PRO A 92 -6.984 15.746 8.150 1.00 0.00 C ATOM 1477 O PRO A 92 -6.746 16.601 7.320 1.00 0.00 O ATOM 1478 CB PRO A 92 -8.402 13.786 8.901 1.00 0.00 C ATOM 1479 CG PRO A 92 -7.441 12.843 9.552 1.00 0.00 C ATOM 1480 CD PRO A 92 -6.490 12.370 8.485 1.00 0.00 C ATOM 1481 HA PRO A 92 -8.275 14.546 6.896 1.00 0.00 H ATOM 1482 HB2 PRO A 92 -8.713 14.551 9.599 1.00 0.00 H ATOM 1483 HB3 PRO A 92 -9.257 13.243 8.530 1.00 0.00 H ATOM 1484 HG2 PRO A 92 -6.895 13.352 10.334 1.00 0.00 H ATOM 1485 HG3 PRO A 92 -7.972 11.999 9.962 1.00 0.00 H ATOM 1486 HD2 PRO A 92 -5.486 12.305 8.879 1.00 0.00 H ATOM 1487 HD3 PRO A 92 -6.810 11.418 8.095 1.00 0.00 H ATOM 1488 N VAL A 93 -6.701 15.935 9.415 1.00 0.00 N ATOM 1489 CA VAL A 93 -6.078 17.217 9.857 1.00 0.00 C ATOM 1490 C VAL A 93 -4.598 16.994 10.183 1.00 0.00 C ATOM 1491 O VAL A 93 -4.145 15.875 10.318 1.00 0.00 O ATOM 1492 CB VAL A 93 -6.850 17.624 11.114 1.00 0.00 C ATOM 1493 CG1 VAL A 93 -6.300 18.947 11.648 1.00 0.00 C ATOM 1494 CG2 VAL A 93 -8.333 17.792 10.770 1.00 0.00 C ATOM 1495 H VAL A 93 -6.898 15.238 10.072 1.00 0.00 H ATOM 1496 HA VAL A 93 -6.187 17.974 9.096 1.00 0.00 H ATOM 1497 HB VAL A 93 -6.740 16.858 11.868 1.00 0.00 H ATOM 1498 HG11 VAL A 93 -5.389 18.764 12.196 1.00 0.00 H ATOM 1499 HG12 VAL A 93 -7.029 19.402 12.303 1.00 0.00 H ATOM 1500 HG13 VAL A 93 -6.096 19.613 10.822 1.00 0.00 H ATOM 1501 HG21 VAL A 93 -8.781 18.505 11.447 1.00 0.00 H ATOM 1502 HG22 VAL A 93 -8.835 16.841 10.864 1.00 0.00 H ATOM 1503 HG23 VAL A 93 -8.429 18.151 9.755 1.00 0.00 H ATOM 1504 N VAL A 94 -3.842 18.052 10.310 1.00 0.00 N ATOM 1505 CA VAL A 94 -2.391 17.900 10.625 1.00 0.00 C ATOM 1506 C VAL A 94 -2.195 17.749 12.137 1.00 0.00 C ATOM 1507 O VAL A 94 -1.823 16.698 12.621 1.00 0.00 O ATOM 1508 CB VAL A 94 -1.735 19.187 10.121 1.00 0.00 C ATOM 1509 CG1 VAL A 94 -0.224 19.114 10.349 1.00 0.00 C ATOM 1510 CG2 VAL A 94 -2.012 19.349 8.623 1.00 0.00 C ATOM 1511 H VAL A 94 -4.228 18.946 10.197 1.00 0.00 H ATOM 1512 HA VAL A 94 -1.981 17.048 10.106 1.00 0.00 H ATOM 1513 HB VAL A 94 -2.139 20.033 10.657 1.00 0.00 H ATOM 1514 HG11 VAL A 94 -0.028 18.734 11.341 1.00 0.00 H ATOM 1515 HG12 VAL A 94 0.203 20.101 10.251 1.00 0.00 H ATOM 1516 HG13 VAL A 94 0.219 18.456 9.617 1.00 0.00 H ATOM 1517 HG21 VAL A 94 -1.471 18.594 8.073 1.00 0.00 H ATOM 1518 HG22 VAL A 94 -1.689 20.329 8.302 1.00 0.00 H ATOM 1519 HG23 VAL A 94 -3.071 19.241 8.439 1.00 0.00 H ATOM 1520 N SER A 95 -2.444 18.792 12.884 1.00 0.00 N ATOM 1521 CA SER A 95 -2.274 18.710 14.364 1.00 0.00 C ATOM 1522 C SER A 95 -2.967 19.895 15.039 1.00 0.00 C ATOM 1523 O SER A 95 -3.770 19.729 15.936 1.00 0.00 O ATOM 1524 CB SER A 95 -0.765 18.768 14.594 1.00 0.00 C ATOM 1525 OG SER A 95 -0.511 19.005 15.973 1.00 0.00 O ATOM 1526 H SER A 95 -2.745 19.628 12.472 1.00 0.00 H ATOM 1527 HA SER A 95 -2.669 17.778 14.737 1.00 0.00 H ATOM 1528 HB2 SER A 95 -0.319 17.831 14.307 1.00 0.00 H ATOM 1529 HB3 SER A 95 -0.343 19.565 13.997 1.00 0.00 H ATOM 1530 HG SER A 95 0.061 18.303 16.294 1.00 0.00 H ATOM 1531 N SER A 96 -2.659 21.092 14.615 1.00 0.00 N ATOM 1532 CA SER A 96 -3.296 22.293 15.229 1.00 0.00 C ATOM 1533 C SER A 96 -4.533 22.704 14.425 1.00 0.00 C ATOM 1534 O SER A 96 -5.637 22.724 14.933 1.00 0.00 O ATOM 1535 CB SER A 96 -2.229 23.384 15.166 1.00 0.00 C ATOM 1536 OG SER A 96 -1.757 23.502 13.829 1.00 0.00 O ATOM 1537 H SER A 96 -2.008 21.202 13.890 1.00 0.00 H ATOM 1538 HA SER A 96 -3.562 22.096 16.255 1.00 0.00 H ATOM 1539 HB2 SER A 96 -2.652 24.323 15.477 1.00 0.00 H ATOM 1540 HB3 SER A 96 -1.412 23.124 15.825 1.00 0.00 H ATOM 1541 HG SER A 96 -1.797 24.430 13.582 1.00 0.00 H ATOM 1542 N SER A 97 -4.356 23.032 13.173 1.00 0.00 N ATOM 1543 CA SER A 97 -5.519 23.443 12.334 1.00 0.00 C ATOM 1544 C SER A 97 -5.773 22.405 11.238 1.00 0.00 C ATOM 1545 O SER A 97 -6.762 21.697 11.336 1.00 0.00 O ATOM 1546 CB SER A 97 -5.112 24.782 11.723 1.00 0.00 C ATOM 1547 OG SER A 97 -4.796 25.696 12.765 1.00 0.00 O ATOM 1548 OXT SER A 97 -4.972 22.334 10.319 1.00 0.00 O ATOM 1549 H SER A 97 -3.456 23.009 12.784 1.00 0.00 H ATOM 1550 HA SER A 97 -6.398 23.567 12.945 1.00 0.00 H ATOM 1551 HB2 SER A 97 -4.247 24.647 11.095 1.00 0.00 H ATOM 1552 HB3 SER A 97 -5.930 25.167 11.128 1.00 0.00 H ATOM 1553 HG SER A 97 -4.939 26.586 12.433 1.00 0.00 H TER 1554 SER A 97