HEADER HYDROLASE INHIBITOR 24-NOV-99 1DGN TITLE SOLUTION STRUCTURE OF ICEBERG, AN INHIBITOR OF INTERLEUKIN- TITLE 2 1BETA GENERATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: ICEBERG (PROTEASE INHIBITOR); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 2-90; COMPND 5 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: PET21A KEYWDS ANTIPARALLEL SIX-HELIX BUNDLE, GREEK-KEY EXPDTA NMR, 20 STRUCTURES AUTHOR E.W.HUMKE,S.K.SHRIVER,M.A.STAROVASNIK,W.J.FAIRBROTHER, AUTHOR 2 V.M.DIXIT REVDAT 1 09-OCT-00 1DGN 0 JRNL AUTH E.W.HUMKE,S.K.SHRIVER,M.A.STAROVASNIK, JRNL AUTH 2 W.J.FAIRBROTHER,V.M.DIXIT JRNL TITL ICEBERG: A NOVEL INHIBITOR OF INTERLEUKIN-1BETA JRNL TITL 2 GENERATION. JRNL REF CELL V. 103 99 2000 JRNL REFN ASTM CELLB5 US ISSN 0092-8674 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 98.1 REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1050 NON-REDUNDANT NOE-DERIVED REMARK 3 DISTANCE RESTRAINTS 88 HYDROGEN-BOND RESTRAINTS 100 DIHEDRAL REMARK 3 ANGLE RESTRAINTS REMARK 4 REMARK 4 1DGN 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 RCSB010070. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 303; 303 REMARK 210 PH : 3.8; 3.8; 3.8 REMARK 210 IONIC STRENGTH : 50 MM SODIUM ACETATE; 50 MM REMARK 210 SODIUM ACETATE; 50 MM SODIUM REMARK 210 ACETATE REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM ICEBERG U-15N; 50MM REMARK 210 SODIUM ACETATE-D3; 20 MM DTT- REMARK 210 D10; 1MM SODIUM AZIDE 2MM REMARK 210 ICEBERG U-15N,13C; 50MM SODIUM REMARK 210 ACETATE-D3; 20MM DTT-D10; 1MM REMARK 210 SODIUM AZIDE 2MM ICEBERG 15%- REMARK 210 13C; 50MM SODIUM ACETATE-D3; REMARK 210 20MM DTT-D10; 1MM SODIUM AZIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA, REMARK 210 HNHB, 3D_15N-SEPARATED_ROESY, REMARK 210 3D_15N-SEPARATED_TOCSY, 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.1, FELIX 97.0 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 2 REMARK 210 REMARK 210 REMARK: NULL 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 1 LEU A 26 CB LEU A 26 CG 0.031 REMARK 500 2 LEU A 5 CB LEU A 5 CG 0.033 REMARK 500 2 LEU A 26 CB LEU A 26 CG 0.030 REMARK 500 3 ARG A 10 CB ARG A 10 CG 0.030 REMARK 500 3 LEU A 26 CB LEU A 26 CG 0.034 REMARK 500 3 LYS A 67 CB LYS A 67 CG 0.030 REMARK 500 4 ARG A 10 CB ARG A 10 CG 0.033 REMARK 500 4 LEU A 26 CB LEU A 26 CG 0.029 REMARK 500 4 LEU A 89 CG LEU A 89 CD2 0.028 REMARK 500 5 LEU A 5 CB LEU A 5 CG 0.029 REMARK 500 5 LEU A 26 CB LEU A 26 CG 0.028 REMARK 500 5 LEU A 89 CG LEU A 89 CD2 0.028 REMARK 500 6 LEU A 5 CB LEU A 5 CG 0.027 REMARK 500 6 ARG A 10 CB ARG A 10 CG 0.033 REMARK 500 6 LYS A 64 CG LYS A 64 CD 0.036 REMARK 500 7 LEU A 5 CB LEU A 5 CG 0.030 REMARK 500 7 LEU A 26 CB LEU A 26 CG 0.028 REMARK 500 7 LYS A 42 CG LYS A 42 CD 0.043 REMARK 500 7 LYS A 64 CG LYS A 64 CD 0.036 REMARK 500 7 LEU A 89 CG LEU A 89 CD2 0.043 REMARK 500 8 LEU A 5 CB LEU A 5 CG 0.034 REMARK 500 8 ARG A 10 CB ARG A 10 CG 0.033 REMARK 500 8 LEU A 26 CB LEU A 26 CG 0.028 REMARK 500 8 LYS A 42 CG LYS A 42 CD 0.039 REMARK 500 8 LYS A 42 CD LYS A 42 CE 0.033 REMARK 500 10 LEU A 5 CB LEU A 5 CG 0.029 REMARK 500 10 ARG A 10 CB ARG A 10 CG 0.032 REMARK 500 10 LEU A 26 CB LEU A 26 CG 0.031 REMARK 500 10 LEU A 89 CG LEU A 89 CD2 0.044 REMARK 500 11 LEU A 5 CB LEU A 5 CG 0.033 REMARK 500 11 LEU A 26 CB LEU A 26 CG 0.031 REMARK 500 11 LEU A 89 CG LEU A 89 CD2 0.040 REMARK 500 12 LEU A 5 CB LEU A 5 CG 0.036 REMARK 500 12 LEU A 26 CB LEU A 26 CG 0.029 REMARK 500 13 LEU A 5 CB LEU A 5 CG 0.032 REMARK 500 14 LEU A 5 CB LEU A 5 CG 0.031 REMARK 500 14 LYS A 42 CG LYS A 42 CD 0.043 REMARK 500 15 LEU A 5 CB LEU A 5 CG 0.033 REMARK 500 15 LYS A 8 CB LYS A 8 CG 0.034 REMARK 500 15 LEU A 26 CB LEU A 26 CG 0.029 REMARK 500 15 LEU A 60 CB LEU A 60 CG 0.028 REMARK 500 15 LYS A 64 CB LYS A 64 CG 0.028 REMARK 500 16 LEU A 5 CB LEU A 5 CG 0.036 REMARK 500 16 LEU A 26 CB LEU A 26 CG 0.030 REMARK 500 16 GLU A 79 N GLU A 79 CA 0.031 REMARK 500 17 LEU A 5 CB LEU A 5 CG 0.028 REMARK 500 17 LYS A 42 CB LYS A 42 CG 0.032 REMARK 500 18 LEU A 5 CB LEU A 5 CG 0.031 REMARK 500 18 LEU A 26 CB LEU A 26 CG 0.028 REMARK 500 19 LEU A 5 CB LEU A 5 CG 0.035 REMARK 500 19 ARG A 10 CB ARG A 10 CG 0.030 REMARK 500 19 LEU A 26 CB LEU A 26 CG 0.030 REMARK 500 20 LEU A 5 CB LEU A 5 CG 0.030 REMARK 500 20 LEU A 26 CB LEU A 26 CG 0.027 REMARK 500 20 LYS A 42 CB LYS A 42 CG 0.035 REMARK 500 20 LEU A 89 CG LEU A 89 CD2 0.029 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 1 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 1 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 1 ASP A 80 CA - C - N ANGL. DEV. = 3.3 DEGREES REMARK 500 1 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 2 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 2 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 2 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 3 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 3 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 3 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 4 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 4 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 4 ASP A 80 CA - C - N ANGL. DEV. = 3.0 DEGREES REMARK 500 4 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 5 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 5 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 5 ASP A 80 CA - C - N ANGL. DEV. = 3.3 DEGREES REMARK 500 5 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 6 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 6 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 6 ASP A 80 CA - C - N ANGL. DEV. = 3.4 DEGREES REMARK 500 6 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 7 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 7 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 7 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 8 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 8 LYS A 42 CG - CD - CE ANGL. DEV. = 3.4 DEGREES REMARK 500 8 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 8 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 9 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 9 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 9 ASP A 80 CA - C - N ANGL. DEV. = 3.1 DEGREES REMARK 500 9 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 10 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 10 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 10 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 11 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 11 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 11 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 12 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 12 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 12 ASP A 80 CA - C - N ANGL. DEV. = 3.3 DEGREES REMARK 500 12 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 13 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 13 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 13 ASP A 80 CA - C - N ANGL. DEV. = 3.0 DEGREES REMARK 500 13 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.3 DEGREES REMARK 500 14 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 14 GLY A 65 CA - C - N ANGL. DEV. = 3.7 DEGREES REMARK 500 14 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 14 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 15 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 15 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 15 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 16 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 16 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 16 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 17 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 17 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 17 ASP A 80 CA - C - N ANGL. DEV. = 3.0 DEGREES REMARK 500 17 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 18 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 18 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 18 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 19 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 19 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 19 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 20 HIS A 15 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 20 HIS A 75 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES REMARK 500 20 HIS A 90 CE1 - NE2 - CD2 ANGL. DEV. = -3.2 DEGREES DBREF 1DGN A 2 90 UNP P57730 ICBR_HUMAN 2 90 SEQRES 1 A 89 ALA ASP GLN LEU LEU ARG LYS LYS ARG ARG ILE PHE ILE SEQRES 2 A 89 HIS SER VAL GLY ALA GLY THR ILE ASN ALA LEU LEU ASP SEQRES 3 A 89 CYS LEU LEU GLU ASP GLU VAL ILE SER GLN GLU ASP MET SEQRES 4 A 89 ASN LYS VAL ARG ASP GLU ASN ASP THR VAL MET ASP LYS SEQRES 5 A 89 ALA ARG VAL LEU ILE ASP LEU VAL THR GLY LYS GLY PRO SEQRES 6 A 89 LYS SER CYS CYS LYS PHE ILE LYS HIS LEU CYS GLU GLU SEQRES 7 A 89 ASP PRO GLN LEU ALA SER LYS MET GLY LEU HIS HELIX 1 1 GLN A 4 LYS A 9 1 6 HELIX 2 2 LYS A 9 HIS A 15 1 7 HELIX 3 3 GLY A 18 GLU A 33 1 16 HELIX 4 4 SER A 36 ASP A 45 1 10 HELIX 5 5 THR A 49 LYS A 64 1 16 HELIX 6 6 GLY A 65 ASP A 80 1 16 HELIX 7 7 GLN A 82 GLY A 88 5 7 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 ALA A 2 12.670 10.529 1.049 1.00 0.00 N ATOM 2 CA ALA A 2 12.422 10.591 -0.386 1.00 0.00 C ATOM 3 C ALA A 2 11.736 9.324 -0.884 1.00 0.00 C ATOM 4 O ALA A 2 12.040 8.828 -1.968 1.00 0.00 O ATOM 5 CB ALA A 2 13.727 10.816 -1.135 1.00 0.00 C ATOM 6 HA ALA A 2 11.781 11.435 -0.640 1.00 0.00 H ATOM 7 HB1 ALA A 2 14.412 9.994 -0.927 1.00 0.00 H ATOM 8 HB2 ALA A 2 13.528 10.860 -2.206 1.00 0.00 H ATOM 9 HB3 ALA A 2 14.176 11.754 -0.810 1.00 0.00 H ATOM 10 H1 ALA A 2 13.133 11.396 1.356 1.00 0.00 H ATOM 11 H2 ALA A 2 11.775 10.423 1.548 1.00 0.00 H ATOM 12 H3 ALA A 2 13.277 9.723 1.258 1.00 0.00 H ATOM 13 N ASP A 3 10.805 8.806 -0.089 1.00 0.00 N ATOM 14 CA ASP A 3 10.073 7.598 -0.454 1.00 0.00 C ATOM 15 C ASP A 3 8.806 7.455 0.382 1.00 0.00 C ATOM 16 O ASP A 3 8.794 6.761 1.399 1.00 0.00 O ATOM 17 CB ASP A 3 10.957 6.363 -0.276 1.00 0.00 C ATOM 18 CG ASP A 3 11.658 6.342 1.067 1.00 0.00 C ATOM 19 OD1 ASP A 3 11.612 7.368 1.778 1.00 0.00 O ATOM 20 OD2 ASP A 3 12.255 5.300 1.409 1.00 0.00 O ATOM 21 H ASP A 3 10.596 9.269 0.807 1.00 0.00 H ATOM 22 HA ASP A 3 9.782 7.621 -1.504 1.00 0.00 H ATOM 23 HB2 ASP A 3 10.391 5.434 -0.341 1.00 0.00 H ATOM 24 HB3 ASP A 3 11.739 6.299 -1.032 1.00 0.00 H ATOM 25 N GLN A 4 7.740 8.117 -0.059 0.00 0.00 N ATOM 26 CA GLN A 4 6.452 8.075 0.634 0.00 0.00 C ATOM 27 C GLN A 4 5.321 8.360 -0.344 0.00 0.00 C ATOM 28 O GLN A 4 4.412 9.137 -0.050 0.00 0.00 O ATOM 29 CB GLN A 4 6.426 9.096 1.775 0.00 0.00 C ATOM 30 CG GLN A 4 7.420 8.804 2.890 0.00 0.00 C ATOM 31 CD GLN A 4 7.281 7.400 3.447 0.00 0.00 C ATOM 32 OE1 GLN A 4 8.271 6.760 3.800 0.00 0.00 O ATOM 33 NE2 GLN A 4 6.048 6.913 3.526 0.00 0.00 N ATOM 34 H GLN A 4 7.824 8.678 -0.919 1.00 0.00 H ATOM 35 HA GLN A 4 6.296 7.090 1.074 1.00 0.00 H ATOM 36 HB2 GLN A 4 6.667 10.077 1.363 1.00 0.00 H ATOM 37 HB3 GLN A 4 5.427 9.099 2.211 1.00 0.00 H ATOM 38 HG2 GLN A 4 8.456 8.898 2.567 1.00 0.00 H ATOM 39 HG3 GLN A 4 7.309 9.477 3.741 1.00 0.00 H ATOM 40 HE21 GLN A 4 5.248 7.484 3.218 1.00 0.00 H ATOM 41 HE22 GLN A 4 5.892 5.964 3.895 1.00 0.00 H ATOM 42 N LEU A 5 5.388 7.732 -1.513 1.00 0.00 N ATOM 43 CA LEU A 5 4.374 7.923 -2.541 1.00 0.00 C ATOM 44 C LEU A 5 2.975 7.624 -1.980 1.00 0.00 C ATOM 45 O LEU A 5 2.096 8.486 -1.984 1.00 0.00 O ATOM 46 CB LEU A 5 4.697 7.043 -3.775 1.00 0.00 C ATOM 47 CG LEU A 5 4.365 7.655 -5.157 1.00 0.00 C ATOM 48 CD1 LEU A 5 4.374 6.571 -6.234 1.00 0.00 C ATOM 49 CD2 LEU A 5 3.022 8.397 -5.134 1.00 0.00 C ATOM 50 H LEU A 5 6.176 7.094 -1.696 1.00 0.00 H ATOM 51 HA LEU A 5 4.386 8.951 -2.903 1.00 0.00 H ATOM 52 HB2 LEU A 5 5.767 6.837 -3.767 1.00 0.00 H ATOM 53 HB3 LEU A 5 4.120 6.122 -3.688 1.00 0.00 H ATOM 54 HG LEU A 5 5.100 8.414 -5.421 1.00 0.00 H ATOM 55 HD11 LEU A 5 3.629 5.812 -5.994 1.00 0.00 H ATOM 56 HD12 LEU A 5 4.139 7.016 -7.201 1.00 0.00 H ATOM 57 HD13 LEU A 5 5.361 6.110 -6.278 1.00 0.00 H ATOM 58 HD21 LEU A 5 3.063 9.202 -4.401 1.00 0.00 H ATOM 59 HD22 LEU A 5 2.820 8.814 -6.121 1.00 0.00 H ATOM 60 HD23 LEU A 5 2.227 7.702 -4.865 1.00 0.00 H ATOM 61 N LEU A 6 2.783 6.393 -1.506 0.00 0.00 N ATOM 62 CA LEU A 6 1.499 5.977 -0.948 0.00 0.00 C ATOM 63 C LEU A 6 0.977 7.007 0.050 0.00 0.00 C ATOM 64 O LEU A 6 -0.135 7.515 -0.093 0.00 0.00 O ATOM 65 CB LEU A 6 1.623 4.611 -0.261 0.00 0.00 C ATOM 66 CG LEU A 6 1.881 3.414 -1.190 0.00 0.00 C ATOM 67 CD1 LEU A 6 0.837 3.341 -2.304 0.00 0.00 C ATOM 68 CD2 LEU A 6 3.286 3.474 -1.774 0.00 0.00 C ATOM 69 H LEU A 6 3.560 5.718 -1.533 1.00 0.00 H ATOM 70 HA LEU A 6 0.751 5.862 -1.733 1.00 0.00 H ATOM 71 HB2 LEU A 6 2.460 4.662 0.436 1.00 0.00 H ATOM 72 HB3 LEU A 6 0.689 4.414 0.264 1.00 0.00 H ATOM 73 HG LEU A 6 1.844 2.472 -0.643 1.00 0.00 H ATOM 74 HD11 LEU A 6 0.874 4.254 -2.898 1.00 0.00 H ATOM 75 HD12 LEU A 6 1.048 2.483 -2.943 1.00 0.00 H ATOM 76 HD13 LEU A 6 -0.155 3.232 -1.866 1.00 0.00 H ATOM 77 HD21 LEU A 6 4.017 3.454 -0.966 1.00 0.00 H ATOM 78 HD22 LEU A 6 3.445 2.616 -2.428 1.00 0.00 H ATOM 79 HD23 LEU A 6 3.404 4.394 -2.347 1.00 0.00 H ATOM 80 N ARG A 7 1.785 7.305 1.065 0.00 0.00 N ATOM 81 CA ARG A 7 1.409 8.270 2.100 0.00 0.00 C ATOM 82 C ARG A 7 0.638 9.453 1.512 0.00 0.00 C ATOM 83 O ARG A 7 -0.561 9.606 1.751 0.00 0.00 O ATOM 84 CB ARG A 7 2.659 8.766 2.838 0.00 0.00 C ATOM 85 CG ARG A 7 2.370 9.319 4.225 0.00 0.00 C ATOM 86 CD ARG A 7 1.365 10.461 4.179 0.00 0.00 C ATOM 87 NE ARG A 7 1.383 11.253 5.406 0.00 0.00 N ATOM 88 CZ ARG A 7 0.415 12.094 5.753 0.00 0.00 C ATOM 89 NH1 ARG A 7 -0.642 12.253 4.969 0.00 0.00 N ATOM 90 NH2 ARG A 7 0.503 12.777 6.887 0.00 0.00 N ATOM 91 H ARG A 7 2.704 6.843 1.124 1.00 0.00 H ATOM 92 HA ARG A 7 0.774 7.814 2.860 1.00 0.00 H ATOM 93 HB2 ARG A 7 3.411 7.993 2.994 1.00 0.00 H ATOM 94 HB3 ARG A 7 3.184 9.568 2.319 1.00 0.00 H ATOM 95 HG2 ARG A 7 1.958 8.556 4.886 1.00 0.00 H ATOM 96 HG3 ARG A 7 3.271 9.705 4.702 1.00 0.00 H ATOM 97 HD2 ARG A 7 1.565 11.147 3.356 1.00 0.00 H ATOM 98 HD3 ARG A 7 0.344 10.100 4.050 1.00 0.00 H ATOM 99 HE ARG A 7 2.191 11.153 6.036 1.00 0.00 H ATOM 100 HH11 ARG A 7 -0.715 11.724 4.088 1.00 0.00 H ATOM 101 HH12 ARG A 7 -1.391 12.906 5.241 1.00 0.00 H ATOM 102 HH21 ARG A 7 1.322 12.655 7.499 1.00 0.00 H ATOM 103 HH22 ARG A 7 -0.248 13.429 7.155 1.00 0.00 H ATOM 104 N LYS A 8 1.333 10.281 0.741 1.00 0.00 N ATOM 105 CA LYS A 8 0.709 11.444 0.119 1.00 0.00 C ATOM 106 C LYS A 8 -0.470 11.020 -0.749 1.00 0.00 C ATOM 107 O LYS A 8 -1.525 11.654 -0.736 1.00 0.00 O ATOM 108 CB LYS A 8 1.731 12.208 -0.728 1.00 0.00 C ATOM 109 CG LYS A 8 2.861 12.836 0.087 1.00 0.00 C ATOM 110 CD LYS A 8 2.429 14.135 0.756 1.00 0.00 C ATOM 111 CE LYS A 8 3.605 14.834 1.420 1.00 0.00 C ATOM 112 NZ LYS A 8 4.053 14.121 2.648 1.00 0.00 N ATOM 113 H LYS A 8 2.334 10.099 0.579 1.00 0.00 H ATOM 114 HA LYS A 8 0.344 12.135 0.879 1.00 0.00 H ATOM 115 HB2 LYS A 8 2.234 11.591 -1.473 1.00 0.00 H ATOM 116 HB3 LYS A 8 1.302 13.035 -1.294 1.00 0.00 H ATOM 117 HG2 LYS A 8 3.210 12.174 0.880 1.00 0.00 H ATOM 118 HG3 LYS A 8 3.728 13.072 -0.531 1.00 0.00 H ATOM 119 HD2 LYS A 8 2.000 14.829 0.034 1.00 0.00 H ATOM 120 HD3 LYS A 8 1.678 13.955 1.524 1.00 0.00 H ATOM 121 HE2 LYS A 8 4.468 14.897 0.757 1.00 0.00 H ATOM 122 HE3 LYS A 8 3.357 15.853 1.717 1.00 0.00 H ATOM 123 HZ1 LYS A 8 4.344 13.164 2.403 1.00 0.00 H ATOM 124 HZ2 LYS A 8 4.848 14.624 3.067 1.00 0.00 H ATOM 125 HZ3 LYS A 8 3.277 14.081 3.325 1.00 0.00 H ATOM 126 N LYS A 9 -0.280 9.938 -1.506 1.00 0.00 N ATOM 127 CA LYS A 9 -1.318 9.407 -2.395 1.00 0.00 C ATOM 128 C LYS A 9 -2.221 8.424 -1.659 1.00 0.00 C ATOM 129 O LYS A 9 -2.834 7.551 -2.273 1.00 0.00 O ATOM 130 CB LYS A 9 -0.671 8.711 -3.592 1.00 0.00 C ATOM 131 CG LYS A 9 0.192 9.626 -4.450 1.00 0.00 C ATOM 132 CD LYS A 9 -0.557 10.888 -4.878 1.00 0.00 C ATOM 133 CE LYS A 9 0.081 11.537 -6.099 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.436 12.914 -6.332 1.00 0.00 N ATOM 135 H LYS A 9 0.631 9.458 -1.465 1.00 0.00 H ATOM 136 HA LYS A 9 -1.947 10.207 -2.786 1.00 0.00 H ATOM 137 HB2 LYS A 9 -0.035 7.908 -3.220 1.00 0.00 H ATOM 138 HB3 LYS A 9 -1.463 8.311 -4.225 1.00 0.00 H ATOM 139 HG2 LYS A 9 1.088 9.956 -3.924 1.00 0.00 H ATOM 140 HG3 LYS A 9 0.527 9.135 -5.364 1.00 0.00 H ATOM 141 HD2 LYS A 9 -1.595 10.675 -5.135 1.00 0.00 H ATOM 142 HD3 LYS A 9 -0.571 11.638 -4.088 1.00 0.00 H ATOM 143 HE2 LYS A 9 1.163 11.618 -5.998 1.00 0.00 H ATOM 144 HE3 LYS A 9 -0.110 10.969 -7.009 1.00 0.00 H ATOM 145 HZ1 LYS A 9 -0.232 13.501 -5.511 1.00 0.00 H ATOM 146 HZ2 LYS A 9 0.019 13.316 -7.164 1.00 0.00 H ATOM 147 HZ3 LYS A 9 -1.454 12.877 -6.483 1.00 0.00 H ATOM 148 N ARG A 10 -2.304 8.571 -0.342 0.00 0.00 N ATOM 149 CA ARG A 10 -3.139 7.696 0.473 0.00 0.00 C ATOM 150 C ARG A 10 -4.611 8.073 0.334 0.00 0.00 C ATOM 151 O ARG A 10 -5.492 7.217 0.418 0.00 0.00 O ATOM 152 CB ARG A 10 -2.716 7.775 1.941 0.00 0.00 C ATOM 153 CG ARG A 10 -3.567 6.923 2.867 0.00 0.00 C ATOM 154 CD ARG A 10 -3.024 6.927 4.287 0.00 0.00 C ATOM 155 NE ARG A 10 -2.654 8.270 4.725 0.00 0.00 N ATOM 156 CZ ARG A 10 -2.671 8.660 5.997 0.00 0.00 C ATOM 157 NH1 ARG A 10 -3.033 7.811 6.948 0.00 0.00 N ATOM 158 NH2 ARG A 10 -2.324 9.900 6.316 0.00 0.00 N ATOM 159 H ARG A 10 -1.766 9.321 0.115 1.00 0.00 H ATOM 160 HA ARG A 10 -3.022 6.657 0.165 1.00 0.00 H ATOM 161 HB2 ARG A 10 -1.691 7.449 2.119 1.00 0.00 H ATOM 162 HB3 ARG A 10 -2.768 8.782 2.357 1.00 0.00 H ATOM 163 HG2 ARG A 10 -4.594 7.284 2.912 1.00 0.00 H ATOM 164 HG3 ARG A 10 -3.602 5.885 2.536 1.00 0.00 H ATOM 165 HD2 ARG A 10 -3.753 6.550 5.003 1.00 0.00 H ATOM 166 HD3 ARG A 10 -2.133 6.306 4.384 1.00 0.00 H ATOM 167 HE ARG A 10 -2.364 8.953 4.011 1.00 0.00 H ATOM 168 HH11 ARG A 10 -3.303 6.848 6.703 1.00 0.00 H ATOM 169 HH12 ARG A 10 -3.046 8.115 7.932 1.00 0.00 H ATOM 170 HH21 ARG A 10 -2.041 10.561 5.579 1.00 0.00 H ATOM 171 HH22 ARG A 10 -2.338 10.201 7.301 1.00 0.00 H ATOM 172 N ARG A 11 -4.867 9.361 0.124 1.00 0.00 N ATOM 173 CA ARG A 11 -6.230 9.862 -0.022 1.00 0.00 C ATOM 174 C ARG A 11 -6.796 9.542 -1.404 1.00 0.00 C ATOM 175 O ARG A 11 -8.008 9.401 -1.569 1.00 0.00 O ATOM 176 CB ARG A 11 -6.264 11.372 0.219 1.00 0.00 C ATOM 177 CG ARG A 11 -5.439 11.812 1.418 1.00 0.00 C ATOM 178 CD ARG A 11 -5.744 13.249 1.807 1.00 0.00 C ATOM 179 NE ARG A 11 -4.980 13.671 2.978 1.00 0.00 N ATOM 180 CZ ARG A 11 -5.047 14.890 3.502 1.00 0.00 C ATOM 181 NH1 ARG A 11 -5.840 15.805 2.960 1.00 0.00 N ATOM 182 NH2 ARG A 11 -4.321 15.196 4.568 1.00 0.00 N ATOM 183 H ARG A 11 -4.081 10.024 0.063 1.00 0.00 H ATOM 184 HA ARG A 11 -6.899 9.418 0.716 1.00 0.00 H ATOM 185 HB2 ARG A 11 -5.882 11.954 -0.620 1.00 0.00 H ATOM 186 HB3 ARG A 11 -7.266 11.760 0.403 1.00 0.00 H ATOM 187 HG2 ARG A 11 -5.638 11.190 2.290 1.00 0.00 H ATOM 188 HG3 ARG A 11 -4.371 11.751 1.212 1.00 0.00 H ATOM 189 HD2 ARG A 11 -5.506 13.947 1.004 1.00 0.00 H ATOM 190 HD3 ARG A 11 -6.798 13.391 2.048 1.00 0.00 H ATOM 191 HE ARG A 11 -4.354 12.984 3.423 1.00 0.00 H ATOM 192 HH11 ARG A 11 -6.405 15.570 2.132 1.00 0.00 H ATOM 193 HH12 ARG A 11 -5.890 16.749 3.367 1.00 0.00 H ATOM 194 HH21 ARG A 11 -3.705 14.488 4.992 1.00 0.00 H ATOM 195 HH22 ARG A 11 -4.374 16.142 4.973 1.00 0.00 H ATOM 196 N ILE A 12 -5.917 9.428 -2.394 1.00 0.00 N ATOM 197 CA ILE A 12 -6.336 9.124 -3.759 1.00 0.00 C ATOM 198 C ILE A 12 -6.708 7.645 -3.900 1.00 0.00 C ATOM 199 O ILE A 12 -7.880 7.304 -4.068 1.00 0.00 O ATOM 200 CB ILE A 12 -5.222 9.516 -4.778 1.00 0.00 C ATOM 201 CG1 ILE A 12 -5.171 11.048 -4.916 1.00 0.00 C ATOM 202 CG2 ILE A 12 -5.433 8.862 -6.147 1.00 0.00 C ATOM 203 CD1 ILE A 12 -4.078 11.585 -5.833 1.00 0.00 C ATOM 204 H ILE A 12 -4.915 9.556 -2.193 1.00 0.00 H ATOM 205 HA ILE A 12 -7.205 9.719 -4.040 1.00 0.00 H ATOM 206 HB ILE A 12 -4.230 9.216 -4.439 1.00 0.00 H ATOM 207 HG12 ILE A 12 -6.126 11.382 -5.321 1.00 0.00 H ATOM 208 HG13 ILE A 12 -5.000 11.471 -3.926 1.00 0.00 H ATOM 209 HG21 ILE A 12 -6.392 9.178 -6.557 1.00 0.00 H ATOM 210 HG22 ILE A 12 -4.633 9.165 -6.822 1.00 0.00 H ATOM 211 HG23 ILE A 12 -5.425 7.778 -6.038 1.00 0.00 H ATOM 212 HD11 ILE A 12 -4.219 11.189 -6.838 1.00 0.00 H ATOM 213 HD12 ILE A 12 -4.129 12.673 -5.861 1.00 0.00 H ATOM 214 HD13 ILE A 12 -3.103 11.277 -5.455 1.00 0.00 H ATOM 215 N PHE A 13 -5.707 6.776 -3.844 1.00 0.00 N ATOM 216 CA PHE A 13 -5.931 5.341 -3.981 1.00 0.00 C ATOM 217 C PHE A 13 -7.087 4.861 -3.104 1.00 0.00 C ATOM 218 O PHE A 13 -7.936 4.092 -3.555 1.00 0.00 O ATOM 219 CB PHE A 13 -4.655 4.569 -3.634 1.00 0.00 C ATOM 220 CG PHE A 13 -4.864 3.083 -3.523 1.00 0.00 C ATOM 221 CD1 PHE A 13 -4.798 2.276 -4.649 1.00 0.00 C ATOM 222 CD2 PHE A 13 -5.131 2.492 -2.296 1.00 0.00 C ATOM 223 CE1 PHE A 13 -4.993 0.912 -4.554 1.00 0.00 C ATOM 224 CE2 PHE A 13 -5.325 1.128 -2.196 1.00 0.00 C ATOM 225 CZ PHE A 13 -5.256 0.337 -3.326 1.00 0.00 C ATOM 226 H PHE A 13 -4.748 7.124 -3.701 1.00 0.00 H ATOM 227 HA PHE A 13 -6.173 5.066 -5.008 1.00 0.00 H ATOM 228 HB2 PHE A 13 -3.859 4.691 -4.368 1.00 0.00 H ATOM 229 HB3 PHE A 13 -4.213 4.865 -2.682 1.00 0.00 H ATOM 230 HD1 PHE A 13 -4.589 2.724 -5.621 1.00 0.00 H ATOM 231 HD2 PHE A 13 -5.188 3.112 -1.401 1.00 0.00 H ATOM 232 HE1 PHE A 13 -4.938 0.290 -5.447 1.00 0.00 H ATOM 233 HE2 PHE A 13 -5.532 0.677 -1.226 1.00 0.00 H ATOM 234 HZ PHE A 13 -5.410 -0.740 -3.249 1.00 0.00 H ATOM 235 N ILE A 14 -7.110 5.297 -1.847 1.00 0.00 N ATOM 236 CA ILE A 14 -8.160 4.883 -0.921 1.00 0.00 C ATOM 237 C ILE A 14 -9.544 5.334 -1.386 1.00 0.00 C ATOM 238 O ILE A 14 -10.476 4.532 -1.448 1.00 0.00 O ATOM 239 CB ILE A 14 -7.899 5.407 0.509 1.00 0.00 C ATOM 240 CG1 ILE A 14 -8.760 4.644 1.517 1.00 0.00 C ATOM 241 CG2 ILE A 14 -8.169 6.902 0.596 1.00 0.00 C ATOM 242 CD1 ILE A 14 -8.797 5.282 2.890 1.00 0.00 C ATOM 243 H ILE A 14 -6.373 5.940 -1.521 1.00 0.00 H ATOM 244 HA ILE A 14 -8.202 3.799 -0.810 1.00 0.00 H ATOM 245 HB ILE A 14 -6.864 5.234 0.804 1.00 0.00 H ATOM 246 HG12 ILE A 14 -9.805 4.554 1.220 1.00 0.00 H ATOM 247 HG13 ILE A 14 -8.427 3.621 1.690 1.00 0.00 H ATOM 248 HG21 ILE A 14 -9.208 7.100 0.335 1.00 0.00 H ATOM 249 HG22 ILE A 14 -7.978 7.248 1.612 1.00 0.00 H ATOM 250 HG23 ILE A 14 -7.513 7.431 -0.096 1.00 0.00 H ATOM 251 HD11 ILE A 14 -9.205 6.290 2.812 1.00 0.00 H ATOM 252 HD12 ILE A 14 -9.426 4.686 3.551 1.00 0.00 H ATOM 253 HD13 ILE A 14 -7.787 5.329 3.296 1.00 0.00 H ATOM 254 N HIS A 15 -9.681 6.624 -1.707 1.00 0.00 N ATOM 255 CA HIS A 15 -10.959 7.187 -2.163 1.00 0.00 C ATOM 256 C HIS A 15 -11.101 7.084 -3.678 1.00 0.00 C ATOM 257 O HIS A 15 -11.370 8.078 -4.353 1.00 0.00 O ATOM 258 CB HIS A 15 -11.066 8.654 -1.740 1.00 0.00 C ATOM 259 CG HIS A 15 -10.968 8.860 -0.261 1.00 0.00 C ATOM 260 ND1 HIS A 15 -9.941 9.542 0.354 1.00 0.00 N ATOM 261 CD2 HIS A 15 -11.799 8.459 0.735 1.00 0.00 C ATOM 262 CE1 HIS A 15 -10.174 9.535 1.673 1.00 0.00 C ATOM 263 NE2 HIS A 15 -11.290 8.890 1.957 1.00 0.00 N ATOM 264 H HIS A 15 -8.862 7.244 -1.634 1.00 0.00 H ATOM 265 HA HIS A 15 -11.804 6.663 -1.715 1.00 0.00 H ATOM 266 HB2 HIS A 15 -10.288 9.288 -2.166 1.00 0.00 H ATOM 267 HB3 HIS A 15 -12.005 9.124 -2.030 1.00 0.00 H ATOM 268 HD1 HIS A 15 -9.137 9.980 -0.118 1.00 0.00 H ATOM 269 HD2 HIS A 15 -12.719 7.890 0.600 1.00 0.00 H ATOM 270 HE1 HIS A 15 -9.526 10.001 2.416 1.00 0.00 H ATOM 271 N SER A 16 -10.920 5.880 -4.213 1.00 0.00 N ATOM 272 CA SER A 16 -11.032 5.665 -5.650 1.00 0.00 C ATOM 273 C SER A 16 -10.999 4.179 -5.993 1.00 0.00 C ATOM 274 O SER A 16 -11.880 3.673 -6.689 1.00 0.00 O ATOM 275 CB SER A 16 -9.900 6.393 -6.376 1.00 0.00 C ATOM 276 OG SER A 16 -10.099 7.795 -6.355 1.00 0.00 O ATOM 277 H SER A 16 -10.696 5.084 -3.599 1.00 0.00 H ATOM 278 HA SER A 16 -11.964 6.073 -6.040 1.00 0.00 H ATOM 279 HB2 SER A 16 -8.937 6.186 -5.908 1.00 0.00 H ATOM 280 HB3 SER A 16 -9.838 6.080 -7.418 1.00 0.00 H ATOM 281 HG SER A 16 -11.058 8.010 -6.664 1.00 0.00 H ATOM 282 N VAL A 17 -9.973 3.485 -5.512 1.00 0.00 N ATOM 283 CA VAL A 17 -9.821 2.057 -5.776 1.00 0.00 C ATOM 284 C VAL A 17 -11.156 1.323 -5.670 1.00 0.00 C ATOM 285 O VAL A 17 -11.828 1.381 -4.641 1.00 0.00 O ATOM 286 CB VAL A 17 -8.801 1.410 -4.813 1.00 0.00 C ATOM 287 CG1 VAL A 17 -9.384 1.266 -3.412 1.00 0.00 C ATOM 288 CG2 VAL A 17 -8.342 0.061 -5.354 1.00 0.00 C ATOM 289 H VAL A 17 -9.267 3.967 -4.937 1.00 0.00 H ATOM 290 HA VAL A 17 -9.428 1.875 -6.776 1.00 0.00 H ATOM 291 HB VAL A 17 -7.896 2.012 -4.737 1.00 0.00 H ATOM 292 HG11 VAL A 17 -10.274 0.638 -3.450 1.00 0.00 H ATOM 293 HG12 VAL A 17 -8.644 0.808 -2.755 1.00 0.00 H ATOM 294 HG13 VAL A 17 -9.651 2.250 -3.026 1.00 0.00 H ATOM 295 HG21 VAL A 17 -7.871 0.201 -6.327 1.00 0.00 H ATOM 296 HG22 VAL A 17 -7.624 -0.382 -4.664 1.00 0.00 H ATOM 297 HG23 VAL A 17 -9.201 -0.601 -5.458 1.00 0.00 H ATOM 298 N GLY A 18 -11.530 0.626 -6.742 1.00 0.00 N ATOM 299 CA GLY A 18 -12.780 -0.117 -6.752 1.00 0.00 C ATOM 300 C GLY A 18 -12.664 -1.450 -6.040 1.00 0.00 C ATOM 301 O GLY A 18 -11.626 -2.108 -6.105 1.00 0.00 O ATOM 302 H GLY A 18 -10.925 0.614 -7.575 1.00 0.00 H ATOM 303 HA2 GLY A 18 -13.589 0.426 -6.263 1.00 0.00 H ATOM 304 HA3 GLY A 18 -13.123 -0.336 -7.763 1.00 0.00 H ATOM 305 N ALA A 19 -13.732 -1.849 -5.358 1.00 0.00 N ATOM 306 CA ALA A 19 -13.746 -3.112 -4.629 1.00 0.00 C ATOM 307 C ALA A 19 -13.200 -4.249 -5.486 1.00 0.00 C ATOM 308 O ALA A 19 -12.737 -5.265 -4.966 1.00 0.00 O ATOM 309 CB ALA A 19 -15.158 -3.434 -4.161 1.00 0.00 C ATOM 310 H ALA A 19 -14.571 -1.251 -5.343 1.00 0.00 H ATOM 311 HA ALA A 19 -13.136 -3.055 -3.728 1.00 0.00 H ATOM 312 HB1 ALA A 19 -15.819 -3.513 -5.024 1.00 0.00 H ATOM 313 HB2 ALA A 19 -15.154 -4.380 -3.618 1.00 0.00 H ATOM 314 HB3 ALA A 19 -15.513 -2.640 -3.503 1.00 0.00 H ATOM 315 N GLY A 20 -13.254 -4.073 -6.803 1.00 0.00 N ATOM 316 CA GLY A 20 -12.760 -5.095 -7.709 1.00 0.00 C ATOM 317 C GLY A 20 -11.246 -5.142 -7.762 1.00 0.00 C ATOM 318 O GLY A 20 -10.636 -6.149 -7.400 1.00 0.00 O ATOM 319 H GLY A 20 -13.650 -3.202 -7.185 1.00 0.00 H ATOM 320 HA2 GLY A 20 -13.087 -6.096 -7.427 1.00 0.00 H ATOM 321 HA3 GLY A 20 -13.097 -4.942 -8.734 1.00 0.00 H ATOM 322 N THR A 21 -10.636 -4.051 -8.215 1.00 0.00 N ATOM 323 CA THR A 21 -9.183 -3.970 -8.316 1.00 0.00 C ATOM 324 C THR A 21 -8.517 -4.503 -7.051 1.00 0.00 C ATOM 325 O THR A 21 -7.476 -5.148 -7.120 1.00 0.00 O ATOM 326 CB THR A 21 -8.719 -2.517 -8.562 1.00 0.00 C ATOM 327 OG1 THR A 21 -9.176 -2.070 -9.845 1.00 0.00 O ATOM 328 CG2 THR A 21 -7.201 -2.397 -8.492 1.00 0.00 C ATOM 329 H THR A 21 -11.205 -3.242 -8.503 1.00 0.00 H ATOM 330 HA THR A 21 -8.817 -4.555 -9.159 1.00 0.00 H ATOM 331 HB THR A 21 -9.135 -1.834 -7.821 1.00 0.00 H ATOM 332 HG1 THR A 21 -8.890 -1.091 -9.990 1.00 0.00 H ATOM 333 HG21 THR A 21 -6.909 -1.362 -8.671 1.00 0.00 H ATOM 334 HG22 THR A 21 -6.857 -2.707 -7.506 1.00 0.00 H ATOM 335 HG23 THR A 21 -6.751 -3.037 -9.251 1.00 0.00 H ATOM 336 N ILE A 22 -9.117 -4.225 -5.902 1.00 0.00 N ATOM 337 CA ILE A 22 -8.571 -4.673 -4.626 1.00 0.00 C ATOM 338 C ILE A 22 -8.338 -6.186 -4.625 1.00 0.00 C ATOM 339 O ILE A 22 -7.254 -6.651 -4.273 1.00 0.00 O ATOM 340 CB ILE A 22 -9.504 -4.255 -3.455 1.00 0.00 C ATOM 341 CG1 ILE A 22 -9.414 -2.738 -3.253 1.00 0.00 C ATOM 342 CG2 ILE A 22 -9.157 -4.990 -2.159 1.00 0.00 C ATOM 343 CD1 ILE A 22 -10.390 -2.179 -2.239 1.00 0.00 C ATOM 344 H ILE A 22 -9.990 -3.678 -5.911 1.00 0.00 H ATOM 345 HA ILE A 22 -7.617 -4.190 -4.414 1.00 0.00 H ATOM 346 HB ILE A 22 -10.550 -4.471 -3.673 1.00 0.00 H ATOM 347 HG12 ILE A 22 -8.408 -2.499 -2.908 1.00 0.00 H ATOM 348 HG13 ILE A 22 -9.619 -2.254 -4.208 1.00 0.00 H ATOM 349 HG21 ILE A 22 -8.130 -4.761 -1.875 1.00 0.00 H ATOM 350 HG22 ILE A 22 -9.833 -4.670 -1.367 1.00 0.00 H ATOM 351 HG23 ILE A 22 -9.260 -6.065 -2.312 1.00 0.00 H ATOM 352 HD11 ILE A 22 -10.208 -2.639 -1.267 1.00 0.00 H ATOM 353 HD12 ILE A 22 -10.255 -1.101 -2.160 1.00 0.00 H ATOM 354 HD13 ILE A 22 -11.410 -2.396 -2.557 1.00 0.00 H ATOM 355 N ASN A 23 -9.353 -6.946 -5.014 1.00 0.00 N ATOM 356 CA ASN A 23 -9.240 -8.401 -5.048 1.00 0.00 C ATOM 357 C ASN A 23 -8.109 -8.842 -5.972 1.00 0.00 C ATOM 358 O ASN A 23 -7.365 -9.773 -5.661 1.00 0.00 O ATOM 359 CB ASN A 23 -10.561 -9.024 -5.503 1.00 0.00 C ATOM 360 CG ASN A 23 -10.655 -10.498 -5.157 1.00 0.00 C ATOM 361 OD1 ASN A 23 -11.713 -11.112 -5.290 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.546 -11.072 -4.708 1.00 0.00 N ATOM 363 H ASN A 23 -10.238 -6.501 -5.297 1.00 0.00 H ATOM 364 HA ASN A 23 -9.035 -8.801 -4.055 1.00 0.00 H ATOM 365 HB2 ASN A 23 -11.426 -8.545 -5.046 1.00 0.00 H ATOM 366 HB3 ASN A 23 -10.704 -8.953 -6.582 1.00 0.00 H ATOM 367 HD21 ASN A 23 -8.682 -10.519 -4.612 1.00 0.00 H ATOM 368 HD22 ASN A 23 -9.548 -12.071 -4.456 1.00 0.00 H ATOM 369 N ALA A 24 -7.990 -8.170 -7.111 1.00 0.00 N ATOM 370 CA ALA A 24 -6.959 -8.492 -8.091 1.00 0.00 C ATOM 371 C ALA A 24 -5.589 -7.983 -7.649 1.00 0.00 C ATOM 372 O ALA A 24 -4.556 -8.523 -8.048 1.00 0.00 O ATOM 373 CB ALA A 24 -7.327 -7.901 -9.444 1.00 0.00 C ATOM 374 H ALA A 24 -8.645 -7.400 -7.309 1.00 0.00 H ATOM 375 HA ALA A 24 -6.872 -9.568 -8.242 1.00 0.00 H ATOM 376 HB1 ALA A 24 -7.415 -6.818 -9.357 1.00 0.00 H ATOM 377 HB2 ALA A 24 -6.552 -8.145 -10.171 1.00 0.00 H ATOM 378 HB3 ALA A 24 -8.279 -8.317 -9.775 1.00 0.00 H ATOM 379 N LEU A 25 -5.588 -6.935 -6.835 1.00 0.00 N ATOM 380 CA LEU A 25 -4.350 -6.339 -6.349 1.00 0.00 C ATOM 381 C LEU A 25 -3.717 -7.191 -5.253 1.00 0.00 C ATOM 382 O LEU A 25 -2.572 -7.624 -5.381 1.00 0.00 O ATOM 383 CB LEU A 25 -4.620 -4.923 -5.829 1.00 0.00 C ATOM 384 CG LEU A 25 -3.389 -4.017 -5.682 1.00 0.00 C ATOM 385 CD1 LEU A 25 -2.383 -4.622 -4.709 1.00 0.00 C ATOM 386 CD2 LEU A 25 -2.735 -3.746 -7.039 1.00 0.00 C ATOM 387 H LEU A 25 -6.487 -6.531 -6.538 1.00 0.00 H ATOM 388 HA LEU A 25 -3.618 -6.237 -7.151 1.00 0.00 H ATOM 389 HB2 LEU A 25 -5.298 -4.433 -6.527 1.00 0.00 H ATOM 390 HB3 LEU A 25 -5.073 -5.010 -4.841 1.00 0.00 H ATOM 391 HG LEU A 25 -3.674 -3.034 -5.307 1.00 0.00 H ATOM 392 HD11 LEU A 25 -2.061 -5.595 -5.078 1.00 0.00 H ATOM 393 HD12 LEU A 25 -1.520 -3.963 -4.621 1.00 0.00 H ATOM 394 HD13 LEU A 25 -2.850 -4.741 -3.731 1.00 0.00 H ATOM 395 HD21 LEU A 25 -3.451 -3.254 -7.696 1.00 0.00 H ATOM 396 HD22 LEU A 25 -1.866 -3.101 -6.902 1.00 0.00 H ATOM 397 HD23 LEU A 25 -2.420 -4.688 -7.486 1.00 0.00 H ATOM 398 N LEU A 26 -4.462 -7.428 -4.177 0.00 0.00 N ATOM 399 CA LEU A 26 -3.952 -8.228 -3.069 0.00 0.00 C ATOM 400 C LEU A 26 -3.531 -9.609 -3.549 0.00 0.00 C ATOM 401 O LEU A 26 -2.593 -10.203 -3.018 0.00 0.00 O ATOM 402 CB LEU A 26 -4.997 -8.332 -1.950 0.00 0.00 C ATOM 403 CG LEU A 26 -6.334 -9.039 -2.335 0.00 0.00 C ATOM 404 CD1 LEU A 26 -6.273 -10.549 -2.091 0.00 0.00 C ATOM 405 CD2 LEU A 26 -7.527 -8.455 -1.574 0.00 0.00 C ATOM 406 H LEU A 26 -5.415 -7.041 -4.126 1.00 0.00 H ATOM 407 HA LEU A 26 -3.086 -7.748 -2.613 1.00 0.00 H ATOM 408 HB2 LEU A 26 -4.556 -8.902 -1.132 1.00 0.00 H ATOM 409 HB3 LEU A 26 -5.248 -7.321 -1.630 1.00 0.00 H ATOM 410 HG LEU A 26 -6.580 -8.897 -3.387 1.00 0.00 H ATOM 411 HD11 LEU A 26 -6.078 -10.739 -1.036 1.00 0.00 H ATOM 412 HD12 LEU A 26 -7.223 -11.001 -2.372 1.00 0.00 H ATOM 413 HD13 LEU A 26 -5.473 -10.982 -2.691 1.00 0.00 H ATOM 414 HD21 LEU A 26 -7.623 -7.394 -1.806 1.00 0.00 H ATOM 415 HD22 LEU A 26 -8.438 -8.975 -1.871 1.00 0.00 H ATOM 416 HD23 LEU A 26 -7.372 -8.579 -0.502 1.00 0.00 H ATOM 417 N ASP A 27 -4.224 -10.111 -4.564 1.00 0.00 N ATOM 418 CA ASP A 27 -3.916 -11.421 -5.122 1.00 0.00 C ATOM 419 C ASP A 27 -2.518 -11.428 -5.732 1.00 0.00 C ATOM 420 O ASP A 27 -1.749 -12.370 -5.542 1.00 0.00 O ATOM 421 CB ASP A 27 -4.951 -11.807 -6.179 1.00 0.00 C ATOM 422 CG ASP A 27 -4.583 -13.081 -6.911 1.00 0.00 C ATOM 423 OD1 ASP A 27 -3.764 -13.858 -6.376 1.00 0.00 O ATOM 424 OD2 ASP A 27 -5.112 -13.304 -8.020 1.00 0.00 O ATOM 425 H ASP A 27 -4.997 -9.562 -4.966 1.00 0.00 H ATOM 426 HA ASP A 27 -3.956 -12.186 -4.347 1.00 0.00 H ATOM 427 HB2 ASP A 27 -5.940 -11.973 -5.751 1.00 0.00 H ATOM 428 HB3 ASP A 27 -5.072 -11.038 -6.942 1.00 0.00 H ATOM 429 N CYS A 28 -2.196 -10.366 -6.464 1.00 0.00 N ATOM 430 CA CYS A 28 -0.891 -10.244 -7.102 1.00 0.00 C ATOM 431 C CYS A 28 0.221 -10.182 -6.059 1.00 0.00 C ATOM 432 O CYS A 28 1.270 -10.807 -6.218 1.00 0.00 O ATOM 433 CB CYS A 28 -0.848 -8.998 -7.991 1.00 0.00 C ATOM 434 SG CYS A 28 0.478 -9.015 -9.220 1.00 0.00 S ATOM 435 H CYS A 28 -2.886 -9.610 -6.584 1.00 0.00 H ATOM 436 HA CYS A 28 -0.694 -11.096 -7.752 1.00 0.00 H ATOM 437 HB2 CYS A 28 -1.795 -8.926 -8.526 1.00 0.00 H ATOM 438 HB3 CYS A 28 -0.700 -8.126 -7.354 1.00 0.00 H ATOM 439 HG CYS A 28 1.130 -7.844 -9.190 1.00 0.00 H ATOM 440 N LEU A 29 -0.014 -9.428 -4.988 0.00 0.00 N ATOM 441 CA LEU A 29 0.971 -9.293 -3.921 0.00 0.00 C ATOM 442 C LEU A 29 1.439 -10.664 -3.445 0.00 0.00 C ATOM 443 O LEU A 29 2.637 -10.908 -3.308 0.00 0.00 O ATOM 444 CB LEU A 29 0.385 -8.502 -2.746 0.00 0.00 C ATOM 445 CG LEU A 29 -0.114 -7.094 -3.083 0.00 0.00 C ATOM 446 CD1 LEU A 29 -0.445 -6.334 -1.805 0.00 0.00 C ATOM 447 CD2 LEU A 29 0.920 -6.340 -3.913 0.00 0.00 C ATOM 448 H LEU A 29 -0.912 -8.929 -4.912 1.00 0.00 H ATOM 449 HA LEU A 29 1.841 -8.737 -4.269 1.00 0.00 H ATOM 450 HB2 LEU A 29 -0.465 -9.061 -2.355 1.00 0.00 H ATOM 451 HB3 LEU A 29 1.163 -8.397 -1.990 1.00 0.00 H ATOM 452 HG LEU A 29 -1.012 -7.151 -3.699 1.00 0.00 H ATOM 453 HD11 LEU A 29 0.450 -6.257 -1.186 1.00 0.00 H ATOM 454 HD12 LEU A 29 -0.799 -5.335 -2.057 1.00 0.00 H ATOM 455 HD13 LEU A 29 -1.221 -6.867 -1.255 1.00 0.00 H ATOM 456 HD21 LEU A 29 1.105 -6.879 -4.842 1.00 0.00 H ATOM 457 HD22 LEU A 29 0.546 -5.342 -4.141 1.00 0.00 H ATOM 458 HD23 LEU A 29 1.850 -6.258 -3.349 1.00 0.00 H ATOM 459 N LEU A 30 0.486 -11.558 -3.198 1.00 0.00 N ATOM 460 CA LEU A 30 0.810 -12.905 -2.743 1.00 0.00 C ATOM 461 C LEU A 30 1.762 -13.583 -3.722 1.00 0.00 C ATOM 462 O LEU A 30 2.732 -14.224 -3.317 1.00 0.00 O ATOM 463 CB LEU A 30 -0.465 -13.741 -2.594 1.00 0.00 C ATOM 464 CG LEU A 30 -1.412 -13.309 -1.461 1.00 0.00 C ATOM 465 CD1 LEU A 30 -2.785 -13.943 -1.641 1.00 0.00 C ATOM 466 CD2 LEU A 30 -0.836 -13.669 -0.093 1.00 0.00 C ATOM 467 H LEU A 30 -0.500 -11.294 -3.331 1.00 0.00 H ATOM 468 HA LEU A 30 1.287 -12.871 -1.764 1.00 0.00 H ATOM 469 HB2 LEU A 30 -1.025 -13.671 -3.527 1.00 0.00 H ATOM 470 HB3 LEU A 30 -0.171 -14.771 -2.394 1.00 0.00 H ATOM 471 HG LEU A 30 -1.532 -12.226 -1.455 1.00 0.00 H ATOM 472 HD11 LEU A 30 -2.689 -15.029 -1.626 1.00 0.00 H ATOM 473 HD12 LEU A 30 -3.441 -13.626 -0.830 1.00 0.00 H ATOM 474 HD13 LEU A 30 -3.209 -13.629 -2.594 1.00 0.00 H ATOM 475 HD21 LEU A 30 0.121 -13.166 0.043 1.00 0.00 H ATOM 476 HD22 LEU A 30 -1.527 -13.352 0.687 1.00 0.00 H ATOM 477 HD23 LEU A 30 -0.691 -14.748 -0.032 1.00 0.00 H ATOM 478 N GLU A 31 1.480 -13.432 -5.012 1.00 0.00 N ATOM 479 CA GLU A 31 2.317 -14.027 -6.049 1.00 0.00 C ATOM 480 C GLU A 31 3.787 -13.700 -5.806 1.00 0.00 C ATOM 481 O GLU A 31 4.653 -14.567 -5.919 1.00 0.00 O ATOM 482 CB GLU A 31 1.886 -13.528 -7.430 1.00 0.00 C ATOM 483 CG GLU A 31 2.381 -14.398 -8.573 1.00 0.00 C ATOM 484 CD GLU A 31 3.892 -14.405 -8.687 1.00 0.00 C ATOM 485 OE1 GLU A 31 4.464 -13.366 -9.078 1.00 0.00 O ATOM 486 OE2 GLU A 31 4.506 -15.451 -8.386 1.00 0.00 O ATOM 487 H GLU A 31 0.653 -12.883 -5.286 1.00 0.00 H ATOM 488 HA GLU A 31 2.204 -15.111 -6.057 1.00 0.00 H ATOM 489 HB2 GLU A 31 0.804 -13.479 -7.558 1.00 0.00 H ATOM 490 HB3 GLU A 31 2.243 -12.524 -7.662 1.00 0.00 H ATOM 491 HG2 GLU A 31 2.079 -15.440 -8.468 1.00 0.00 H ATOM 492 HG3 GLU A 31 2.005 -14.069 -9.542 1.00 0.00 H ATOM 493 N ASP A 32 4.060 -12.443 -5.466 1.00 0.00 N ATOM 494 CA ASP A 32 5.424 -12.000 -5.200 1.00 0.00 C ATOM 495 C ASP A 32 5.881 -12.470 -3.824 1.00 0.00 C ATOM 496 O ASP A 32 7.077 -12.526 -3.540 1.00 0.00 O ATOM 497 CB ASP A 32 5.514 -10.475 -5.286 1.00 0.00 C ATOM 498 CG ASP A 32 4.786 -9.921 -6.495 1.00 0.00 C ATOM 499 OD1 ASP A 32 4.043 -10.688 -7.143 1.00 0.00 O ATOM 500 OD2 ASP A 32 4.958 -8.720 -6.792 1.00 0.00 O ATOM 501 H ASP A 32 3.289 -11.765 -5.389 1.00 0.00 H ATOM 502 HA ASP A 32 6.110 -12.403 -5.946 1.00 0.00 H ATOM 503 HB2 ASP A 32 5.082 -9.984 -4.415 1.00 0.00 H ATOM 504 HB3 ASP A 32 6.543 -10.124 -5.359 1.00 0.00 H ATOM 505 N GLU A 33 4.914 -12.806 -2.975 1.00 0.00 N ATOM 506 CA GLU A 33 5.200 -13.277 -1.623 1.00 0.00 C ATOM 507 C GLU A 33 5.796 -12.162 -0.769 1.00 0.00 C ATOM 508 O GLU A 33 6.563 -12.422 0.159 1.00 0.00 O ATOM 509 CB GLU A 33 6.150 -14.478 -1.663 1.00 0.00 C ATOM 510 CG GLU A 33 5.823 -15.475 -2.763 1.00 0.00 C ATOM 511 CD GLU A 33 6.496 -16.816 -2.553 1.00 0.00 C ATOM 512 OE1 GLU A 33 6.775 -17.165 -1.386 1.00 0.00 O ATOM 513 OE2 GLU A 33 6.744 -17.521 -3.555 1.00 0.00 O ATOM 514 H GLU A 33 3.934 -12.733 -3.281 1.00 0.00 H ATOM 515 HA GLU A 33 4.293 -13.626 -1.130 1.00 0.00 H ATOM 516 HB2 GLU A 33 7.192 -14.205 -1.828 1.00 0.00 H ATOM 517 HB3 GLU A 33 6.153 -15.062 -0.742 1.00 0.00 H ATOM 518 HG2 GLU A 33 4.755 -15.680 -2.839 1.00 0.00 H ATOM 519 HG3 GLU A 33 6.137 -15.130 -3.749 1.00 0.00 H ATOM 520 N VAL A 34 5.438 -10.922 -1.084 1.00 0.00 N ATOM 521 CA VAL A 34 5.941 -9.775 -0.337 1.00 0.00 C ATOM 522 C VAL A 34 5.348 -9.733 1.067 1.00 0.00 C ATOM 523 O VAL A 34 6.040 -9.409 2.032 1.00 0.00 O ATOM 524 CB VAL A 34 5.646 -8.444 -1.061 1.00 0.00 C ATOM 525 CG1 VAL A 34 4.171 -8.330 -1.421 1.00 0.00 C ATOM 526 CG2 VAL A 34 6.080 -7.263 -0.205 1.00 0.00 C ATOM 527 H VAL A 34 4.793 -10.768 -1.872 1.00 0.00 H ATOM 528 HA VAL A 34 7.025 -9.815 -0.241 1.00 0.00 H ATOM 529 HB VAL A 34 6.220 -8.363 -1.984 1.00 0.00 H ATOM 530 HG11 VAL A 34 3.570 -8.372 -0.512 1.00 0.00 H ATOM 531 HG12 VAL A 34 3.993 -7.383 -1.930 1.00 0.00 H ATOM 532 HG13 VAL A 34 3.892 -9.153 -2.079 1.00 0.00 H ATOM 533 HG21 VAL A 34 7.150 -7.329 -0.010 1.00 0.00 H ATOM 534 HG22 VAL A 34 5.864 -6.333 -0.732 1.00 0.00 H ATOM 535 HG23 VAL A 34 5.537 -7.278 0.740 1.00 0.00 H ATOM 536 N ILE A 35 4.061 -10.073 1.181 1.00 0.00 N ATOM 537 CA ILE A 35 3.367 -10.086 2.476 1.00 0.00 C ATOM 538 C ILE A 35 3.525 -11.457 3.140 1.00 0.00 C ATOM 539 O ILE A 35 4.319 -12.283 2.690 1.00 0.00 O ATOM 540 CB ILE A 35 1.856 -9.755 2.307 1.00 0.00 C ATOM 541 CG1 ILE A 35 1.278 -10.502 1.104 1.00 0.00 C ATOM 542 CG2 ILE A 35 1.643 -8.254 2.149 1.00 0.00 C ATOM 543 CD1 ILE A 35 -0.220 -10.344 0.958 1.00 0.00 C ATOM 544 H ILE A 35 3.538 -10.334 0.333 1.00 0.00 H ATOM 545 HA ILE A 35 3.788 -9.324 3.131 1.00 0.00 H ATOM 546 HB ILE A 35 1.286 -10.087 3.174 1.00 0.00 H ATOM 547 HG12 ILE A 35 1.694 -10.177 0.150 1.00 0.00 H ATOM 548 HG13 ILE A 35 1.449 -11.578 1.138 1.00 0.00 H ATOM 549 HG21 ILE A 35 2.180 -7.901 1.269 1.00 0.00 H ATOM 550 HG22 ILE A 35 0.579 -8.048 2.032 1.00 0.00 H ATOM 551 HG23 ILE A 35 2.017 -7.739 3.034 1.00 0.00 H ATOM 552 HD11 ILE A 35 -0.464 -9.289 0.835 1.00 0.00 H ATOM 553 HD12 ILE A 35 -0.562 -10.900 0.085 1.00 0.00 H ATOM 554 HD13 ILE A 35 -0.715 -10.729 1.850 1.00 0.00 H ATOM 555 N SER A 36 2.768 -11.696 4.218 1.00 0.00 N ATOM 556 CA SER A 36 2.817 -12.968 4.962 1.00 0.00 C ATOM 557 C SER A 36 1.416 -13.410 5.364 1.00 0.00 C ATOM 558 O SER A 36 0.499 -12.593 5.461 1.00 0.00 O ATOM 559 CB SER A 36 3.678 -12.809 6.221 1.00 0.00 C ATOM 560 OG SER A 36 3.307 -13.751 7.214 1.00 0.00 O ATOM 561 H SER A 36 2.123 -10.961 4.541 1.00 0.00 H ATOM 562 HA SER A 36 3.262 -13.753 4.351 1.00 0.00 H ATOM 563 HB2 SER A 36 4.734 -12.959 5.996 1.00 0.00 H ATOM 564 HB3 SER A 36 3.566 -11.812 6.649 1.00 0.00 H ATOM 565 HG SER A 36 3.784 -13.524 8.098 1.00 0.00 H ATOM 566 N GLN A 37 1.258 -14.708 5.600 1.00 0.00 N ATOM 567 CA GLN A 37 -0.031 -15.259 5.996 1.00 0.00 C ATOM 568 C GLN A 37 -0.666 -14.404 7.087 1.00 0.00 C ATOM 569 O GLN A 37 -1.889 -14.371 7.232 1.00 0.00 O ATOM 570 CB GLN A 37 0.133 -16.698 6.489 1.00 0.00 C ATOM 571 CG GLN A 37 -1.185 -17.427 6.692 1.00 0.00 C ATOM 572 CD GLN A 37 -1.995 -17.532 5.415 1.00 0.00 C ATOM 573 OE1 GLN A 37 -2.964 -16.799 5.218 1.00 0.00 O ATOM 574 NE2 GLN A 37 -1.601 -18.449 4.539 1.00 0.00 N ATOM 575 H GLN A 37 2.065 -15.340 5.500 1.00 0.00 H ATOM 576 HA GLN A 37 -0.712 -15.291 5.146 1.00 0.00 H ATOM 577 HB2 GLN A 37 0.704 -17.330 5.809 1.00 0.00 H ATOM 578 HB3 GLN A 37 0.649 -16.775 7.446 1.00 0.00 H ATOM 579 HG2 GLN A 37 -1.049 -18.447 7.050 1.00 0.00 H ATOM 580 HG3 GLN A 37 -1.829 -16.933 7.419 1.00 0.00 H ATOM 581 HE21 GLN A 37 -0.783 -19.040 4.746 1.00 0.00 H ATOM 582 HE22 GLN A 37 -2.113 -18.568 3.654 1.00 0.00 H ATOM 583 N GLU A 38 0.173 -13.708 7.848 1.00 0.00 N ATOM 584 CA GLU A 38 -0.309 -12.846 8.922 1.00 0.00 C ATOM 585 C GLU A 38 -1.015 -11.623 8.349 1.00 0.00 C ATOM 586 O GLU A 38 -2.152 -11.321 8.711 1.00 0.00 O ATOM 587 CB GLU A 38 0.852 -12.412 9.819 1.00 0.00 C ATOM 588 CG GLU A 38 1.405 -13.536 10.682 1.00 0.00 C ATOM 589 CD GLU A 38 2.271 -13.027 11.818 1.00 0.00 C ATOM 590 OE1 GLU A 38 3.216 -12.258 11.546 1.00 0.00 O ATOM 591 OE2 GLU A 38 2.003 -13.397 12.980 1.00 0.00 O ATOM 592 H GLU A 38 1.186 -13.778 7.675 1.00 0.00 H ATOM 593 HA GLU A 38 -1.013 -13.385 9.556 1.00 0.00 H ATOM 594 HB2 GLU A 38 1.710 -12.030 9.266 1.00 0.00 H ATOM 595 HB3 GLU A 38 0.588 -11.619 10.518 1.00 0.00 H ATOM 596 HG2 GLU A 38 0.620 -14.135 11.144 1.00 0.00 H ATOM 597 HG3 GLU A 38 2.025 -14.233 10.118 1.00 0.00 H ATOM 598 N ASP A 39 -0.334 -10.927 7.445 1.00 0.00 N ATOM 599 CA ASP A 39 -0.897 -9.741 6.811 1.00 0.00 C ATOM 600 C ASP A 39 -2.064 -10.125 5.906 1.00 0.00 C ATOM 601 O ASP A 39 -3.138 -9.527 5.974 1.00 0.00 O ATOM 602 CB ASP A 39 0.185 -9.008 6.012 1.00 0.00 C ATOM 603 CG ASP A 39 1.141 -8.240 6.905 1.00 0.00 C ATOM 604 OD1 ASP A 39 1.482 -8.754 7.990 1.00 0.00 O ATOM 605 OD2 ASP A 39 1.548 -7.124 6.517 1.00 0.00 O ATOM 606 H ASP A 39 0.615 -11.232 7.186 1.00 0.00 H ATOM 607 HA ASP A 39 -1.260 -9.043 7.565 1.00 0.00 H ATOM 608 HB2 ASP A 39 0.796 -9.689 5.420 1.00 0.00 H ATOM 609 HB3 ASP A 39 -0.235 -8.284 5.314 1.00 0.00 H ATOM 610 N MET A 40 -1.848 -11.132 5.066 1.00 0.00 N ATOM 611 CA MET A 40 -2.888 -11.599 4.159 1.00 0.00 C ATOM 612 C MET A 40 -4.199 -11.780 4.910 1.00 0.00 C ATOM 613 O MET A 40 -5.279 -11.558 4.363 1.00 0.00 O ATOM 614 CB MET A 40 -2.475 -12.922 3.511 1.00 0.00 C ATOM 615 CG MET A 40 -3.574 -13.559 2.677 1.00 0.00 C ATOM 616 SD MET A 40 -4.237 -12.438 1.430 1.00 0.00 S ATOM 617 CE MET A 40 -5.734 -13.304 0.959 1.00 0.00 C ATOM 618 H MET A 40 -0.926 -11.592 5.057 1.00 0.00 H ATOM 619 HA MET A 40 -3.041 -10.876 3.357 1.00 0.00 H ATOM 620 HB2 MET A 40 -1.625 -12.830 2.835 1.00 0.00 H ATOM 621 HB3 MET A 40 -2.185 -13.688 4.230 1.00 0.00 H ATOM 622 HG2 MET A 40 -3.234 -14.443 2.139 1.00 0.00 H ATOM 623 HG3 MET A 40 -4.425 -13.879 3.279 1.00 0.00 H ATOM 624 HE1 MET A 40 -6.378 -13.416 1.831 1.00 0.00 H ATOM 625 HE2 MET A 40 -6.257 -12.734 0.191 1.00 0.00 H ATOM 626 HE3 MET A 40 -5.477 -14.288 0.568 1.00 0.00 H ATOM 627 N ASN A 41 -4.091 -12.185 6.170 1.00 0.00 N ATOM 628 CA ASN A 41 -5.261 -12.399 7.011 1.00 0.00 C ATOM 629 C ASN A 41 -5.892 -11.071 7.415 1.00 0.00 C ATOM 630 O ASN A 41 -7.113 -10.960 7.520 1.00 0.00 O ATOM 631 CB ASN A 41 -4.877 -13.195 8.259 1.00 0.00 C ATOM 632 CG ASN A 41 -4.409 -14.598 7.928 1.00 0.00 C ATOM 633 OD1 ASN A 41 -4.179 -15.415 8.819 1.00 0.00 O ATOM 634 ND2 ASN A 41 -4.265 -14.884 6.639 1.00 0.00 N ATOM 635 H ASN A 41 -3.154 -12.353 6.563 1.00 0.00 H ATOM 636 HA ASN A 41 -6.017 -12.984 6.487 1.00 0.00 H ATOM 637 HB2 ASN A 41 -4.069 -12.725 8.819 1.00 0.00 H ATOM 638 HB3 ASN A 41 -5.710 -13.304 8.954 1.00 0.00 H ATOM 639 HD21 ASN A 41 -4.469 -14.169 5.927 1.00 0.00 H ATOM 640 HD22 ASN A 41 -3.948 -15.821 6.353 1.00 0.00 H ATOM 641 N LYS A 42 -5.052 -10.065 7.644 1.00 0.00 N ATOM 642 CA LYS A 42 -5.532 -8.747 8.039 1.00 0.00 C ATOM 643 C LYS A 42 -6.610 -8.246 7.073 1.00 0.00 C ATOM 644 O LYS A 42 -7.700 -7.856 7.493 1.00 0.00 O ATOM 645 CB LYS A 42 -4.354 -7.760 8.106 1.00 0.00 C ATOM 646 CG LYS A 42 -4.581 -6.597 9.060 1.00 0.00 C ATOM 647 CD LYS A 42 -5.938 -5.948 8.845 1.00 0.00 C ATOM 648 CE LYS A 42 -6.036 -4.611 9.563 1.00 0.00 C ATOM 649 NZ LYS A 42 -4.981 -3.660 9.115 1.00 0.00 N ATOM 650 H LYS A 42 -4.040 -10.222 7.540 1.00 0.00 H ATOM 651 HA LYS A 42 -5.961 -8.774 9.040 1.00 0.00 H ATOM 652 HB2 LYS A 42 -3.419 -8.213 8.437 1.00 0.00 H ATOM 653 HB3 LYS A 42 -4.116 -7.294 7.150 1.00 0.00 H ATOM 654 HG2 LYS A 42 -4.540 -6.914 10.102 1.00 0.00 H ATOM 655 HG3 LYS A 42 -3.830 -5.817 8.933 1.00 0.00 H ATOM 656 HD2 LYS A 42 -6.130 -5.765 7.787 1.00 0.00 H ATOM 657 HD3 LYS A 42 -6.746 -6.578 9.217 1.00 0.00 H ATOM 658 HE2 LYS A 42 -6.996 -4.125 9.389 1.00 0.00 H ATOM 659 HE3 LYS A 42 -5.928 -4.720 10.642 1.00 0.00 H ATOM 660 HZ1 LYS A 42 -5.078 -3.490 8.104 1.00 0.00 H ATOM 661 HZ2 LYS A 42 -5.082 -2.770 9.624 1.00 0.00 H ATOM 662 HZ3 LYS A 42 -4.053 -4.062 9.308 1.00 0.00 H ATOM 663 N VAL A 43 -6.295 -8.258 5.782 1.00 0.00 N ATOM 664 CA VAL A 43 -7.232 -7.802 4.760 1.00 0.00 C ATOM 665 C VAL A 43 -8.406 -8.762 4.605 1.00 0.00 C ATOM 666 O VAL A 43 -9.559 -8.338 4.527 1.00 0.00 O ATOM 667 CB VAL A 43 -6.537 -7.637 3.395 1.00 0.00 C ATOM 668 CG1 VAL A 43 -7.423 -6.855 2.437 1.00 0.00 C ATOM 669 CG2 VAL A 43 -5.190 -6.956 3.569 1.00 0.00 C ATOM 670 H VAL A 43 -5.366 -8.598 5.495 1.00 0.00 H ATOM 671 HA VAL A 43 -7.646 -6.823 5.002 1.00 0.00 H ATOM 672 HB VAL A 43 -6.327 -8.610 2.952 1.00 0.00 H ATOM 673 HG11 VAL A 43 -7.626 -5.868 2.852 1.00 0.00 H ATOM 674 HG12 VAL A 43 -6.916 -6.748 1.478 1.00 0.00 H ATOM 675 HG13 VAL A 43 -8.362 -7.388 2.292 1.00 0.00 H ATOM 676 HG21 VAL A 43 -4.558 -7.561 4.219 1.00 0.00 H ATOM 677 HG22 VAL A 43 -4.710 -6.845 2.597 1.00 0.00 H ATOM 678 HG23 VAL A 43 -5.334 -5.972 4.017 1.00 0.00 H ATOM 679 N ARG A 44 -8.109 -10.055 4.556 1.00 0.00 N ATOM 680 CA ARG A 44 -9.150 -11.066 4.404 1.00 0.00 C ATOM 681 C ARG A 44 -10.230 -10.886 5.463 1.00 0.00 C ATOM 682 O ARG A 44 -11.403 -11.172 5.226 1.00 0.00 O ATOM 683 CB ARG A 44 -8.552 -12.471 4.499 1.00 0.00 C ATOM 684 CG ARG A 44 -9.576 -13.588 4.351 1.00 0.00 C ATOM 685 CD ARG A 44 -10.475 -13.377 3.139 1.00 0.00 C ATOM 686 NE ARG A 44 -11.155 -14.607 2.742 1.00 0.00 N ATOM 687 CZ ARG A 44 -11.697 -14.794 1.544 1.00 0.00 C ATOM 688 NH1 ARG A 44 -11.638 -13.835 0.630 1.00 0.00 N ATOM 689 NH2 ARG A 44 -12.301 -15.940 1.259 1.00 0.00 N ATOM 690 H ARG A 44 -7.125 -10.350 4.626 1.00 0.00 H ATOM 691 HA ARG A 44 -9.617 -10.991 3.423 1.00 0.00 H ATOM 692 HB2 ARG A 44 -7.816 -12.586 3.703 1.00 0.00 H ATOM 693 HB3 ARG A 44 -8.079 -12.579 5.475 1.00 0.00 H ATOM 694 HG2 ARG A 44 -9.102 -14.561 4.229 1.00 0.00 H ATOM 695 HG3 ARG A 44 -10.229 -13.658 5.222 1.00 0.00 H ATOM 696 HD2 ARG A 44 -11.250 -12.635 3.330 1.00 0.00 H ATOM 697 HD3 ARG A 44 -9.914 -13.032 2.271 1.00 0.00 H ATOM 698 HE ARG A 44 -11.217 -15.372 3.429 1.00 0.00 H ATOM 699 HH11 ARG A 44 -11.170 -12.944 0.848 1.00 0.00 H ATOM 700 HH12 ARG A 44 -12.059 -13.982 -0.298 1.00 0.00 H ATOM 701 HH21 ARG A 44 -12.348 -16.687 1.966 1.00 0.00 H ATOM 702 HH22 ARG A 44 -12.721 -16.083 0.329 1.00 0.00 H ATOM 703 N ASP A 45 -9.824 -10.404 6.632 1.00 0.00 N ATOM 704 CA ASP A 45 -10.755 -10.178 7.731 1.00 0.00 C ATOM 705 C ASP A 45 -11.954 -9.360 7.262 1.00 0.00 C ATOM 706 O ASP A 45 -13.044 -9.458 7.824 1.00 0.00 O ATOM 707 CB ASP A 45 -10.050 -9.458 8.881 1.00 0.00 C ATOM 708 CG ASP A 45 -10.929 -9.328 10.109 1.00 0.00 C ATOM 709 OD1 ASP A 45 -11.968 -8.639 10.026 1.00 0.00 O ATOM 710 OD2 ASP A 45 -10.579 -9.915 11.155 1.00 0.00 O ATOM 711 H ASP A 45 -8.827 -10.183 6.766 1.00 0.00 H ATOM 712 HA ASP A 45 -11.121 -11.126 8.126 1.00 0.00 H ATOM 713 HB2 ASP A 45 -9.146 -9.974 9.204 1.00 0.00 H ATOM 714 HB3 ASP A 45 -9.745 -8.446 8.614 1.00 0.00 H ATOM 715 N GLU A 46 -11.743 -8.555 6.225 1.00 0.00 N ATOM 716 CA GLU A 46 -12.805 -7.720 5.675 1.00 0.00 C ATOM 717 C GLU A 46 -13.480 -6.905 6.772 1.00 0.00 C ATOM 718 O GLU A 46 -14.354 -7.404 7.482 1.00 0.00 O ATOM 719 CB GLU A 46 -13.838 -8.587 4.952 1.00 0.00 C ATOM 720 CG GLU A 46 -13.323 -9.183 3.650 1.00 0.00 C ATOM 721 CD GLU A 46 -14.161 -10.352 3.171 1.00 0.00 C ATOM 722 OE1 GLU A 46 -15.402 -10.283 3.292 1.00 0.00 O ATOM 723 OE2 GLU A 46 -13.577 -11.339 2.676 1.00 0.00 O ATOM 724 H GLU A 46 -10.806 -8.520 5.799 1.00 0.00 H ATOM 725 HA GLU A 46 -12.409 -7.025 4.934 1.00 0.00 H ATOM 726 HB2 GLU A 46 -14.178 -9.438 5.542 1.00 0.00 H ATOM 727 HB3 GLU A 46 -14.744 -8.046 4.681 1.00 0.00 H ATOM 728 HG2 GLU A 46 -13.315 -8.462 2.832 1.00 0.00 H ATOM 729 HG3 GLU A 46 -12.303 -9.557 3.733 1.00 0.00 H ATOM 730 N ASN A 47 -13.068 -5.649 6.906 1.00 0.00 N ATOM 731 CA ASN A 47 -13.631 -4.762 7.918 1.00 0.00 C ATOM 732 C ASN A 47 -15.014 -4.270 7.502 1.00 0.00 C ATOM 733 O ASN A 47 -16.026 -4.679 8.073 1.00 0.00 O ATOM 734 CB ASN A 47 -12.703 -3.569 8.153 1.00 0.00 C ATOM 735 CG ASN A 47 -11.426 -3.964 8.869 1.00 0.00 C ATOM 736 OD1 ASN A 47 -11.419 -4.170 10.082 1.00 0.00 O ATOM 737 ND2 ASN A 47 -10.336 -4.070 8.118 1.00 0.00 N ATOM 738 H ASN A 47 -12.333 -5.292 6.279 1.00 0.00 H ATOM 739 HA ASN A 47 -13.730 -5.276 8.874 1.00 0.00 H ATOM 740 HB2 ASN A 47 -12.399 -3.090 7.221 1.00 0.00 H ATOM 741 HB3 ASN A 47 -13.170 -2.793 8.760 1.00 0.00 H ATOM 742 HD21 ASN A 47 -10.389 -3.888 7.105 1.00 0.00 H ATOM 743 HD22 ASN A 47 -9.438 -4.334 8.548 1.00 0.00 H ATOM 744 N ASP A 48 -15.051 -3.391 6.505 1.00 0.00 N ATOM 745 CA ASP A 48 -16.309 -2.842 6.012 1.00 0.00 C ATOM 746 C ASP A 48 -16.134 -2.260 4.614 1.00 0.00 C ATOM 747 O ASP A 48 -15.423 -2.819 3.780 1.00 0.00 O ATOM 748 CB ASP A 48 -16.826 -1.766 6.971 1.00 0.00 C ATOM 749 CG ASP A 48 -18.302 -1.480 6.774 1.00 0.00 C ATOM 750 OD1 ASP A 48 -18.804 -1.690 5.650 1.00 0.00 O ATOM 751 OD2 ASP A 48 -18.957 -1.046 7.746 1.00 0.00 O ATOM 752 H ASP A 48 -14.167 -3.089 6.070 1.00 0.00 H ATOM 753 HA ASP A 48 -17.076 -3.615 5.964 1.00 0.00 H ATOM 754 HB2 ASP A 48 -16.703 -2.048 8.016 1.00 0.00 H ATOM 755 HB3 ASP A 48 -16.308 -0.815 6.845 1.00 0.00 H ATOM 756 N THR A 49 -16.792 -1.137 4.368 1.00 0.00 N ATOM 757 CA THR A 49 -16.722 -0.469 3.073 1.00 0.00 C ATOM 758 C THR A 49 -15.293 -0.447 2.538 1.00 0.00 C ATOM 759 O THR A 49 -14.333 -0.570 3.297 1.00 0.00 O ATOM 760 CB THR A 49 -17.248 0.974 3.159 1.00 0.00 C ATOM 761 OG1 THR A 49 -18.594 0.977 3.648 1.00 0.00 O ATOM 762 CG2 THR A 49 -17.197 1.651 1.798 1.00 0.00 C ATOM 763 H THR A 49 -17.371 -0.723 5.113 1.00 0.00 H ATOM 764 HA THR A 49 -17.342 -0.973 2.333 1.00 0.00 H ATOM 765 HB THR A 49 -16.649 1.565 3.852 1.00 0.00 H ATOM 766 HG1 THR A 49 -18.651 1.559 4.496 1.00 0.00 H ATOM 767 HG21 THR A 49 -17.573 2.670 1.883 1.00 0.00 H ATOM 768 HG22 THR A 49 -16.167 1.674 1.441 1.00 0.00 H ATOM 769 HG23 THR A 49 -17.813 1.095 1.091 1.00 0.00 H ATOM 770 N VAL A 50 -15.165 -0.284 1.225 1.00 0.00 N ATOM 771 CA VAL A 50 -13.856 -0.242 0.581 1.00 0.00 C ATOM 772 C VAL A 50 -12.907 0.685 1.342 1.00 0.00 C ATOM 773 O VAL A 50 -11.732 0.370 1.522 1.00 0.00 O ATOM 774 CB VAL A 50 -13.980 0.209 -0.898 1.00 0.00 C ATOM 775 CG1 VAL A 50 -12.619 0.558 -1.501 1.00 0.00 C ATOM 776 CG2 VAL A 50 -14.666 -0.879 -1.714 1.00 0.00 C ATOM 777 H VAL A 50 -16.011 -0.186 0.647 1.00 0.00 H ATOM 778 HA VAL A 50 -13.408 -1.235 0.551 1.00 0.00 H ATOM 779 HB VAL A 50 -14.611 1.092 -1.001 1.00 0.00 H ATOM 780 HG11 VAL A 50 -11.969 -0.317 -1.463 1.00 0.00 H ATOM 781 HG12 VAL A 50 -12.748 0.868 -2.538 1.00 0.00 H ATOM 782 HG13 VAL A 50 -12.166 1.370 -0.933 1.00 0.00 H ATOM 783 HG21 VAL A 50 -15.661 -1.065 -1.310 1.00 0.00 H ATOM 784 HG22 VAL A 50 -14.750 -0.558 -2.752 1.00 0.00 H ATOM 785 HG23 VAL A 50 -14.078 -1.796 -1.665 1.00 0.00 H ATOM 786 N MET A 51 -13.421 1.826 1.780 1.00 0.00 N ATOM 787 CA MET A 51 -12.613 2.792 2.515 1.00 0.00 C ATOM 788 C MET A 51 -11.773 2.101 3.586 1.00 0.00 C ATOM 789 O MET A 51 -10.654 2.522 3.879 1.00 0.00 O ATOM 790 CB MET A 51 -13.508 3.853 3.157 1.00 0.00 C ATOM 791 CG MET A 51 -14.160 4.788 2.151 1.00 0.00 C ATOM 792 SD MET A 51 -15.536 5.717 2.856 1.00 0.00 S ATOM 793 CE MET A 51 -14.893 6.096 4.484 1.00 0.00 C ATOM 794 H MET A 51 -14.413 2.035 1.596 1.00 0.00 H ATOM 795 HA MET A 51 -11.934 3.322 1.847 1.00 0.00 H ATOM 796 HB2 MET A 51 -14.333 3.436 3.733 1.00 0.00 H ATOM 797 HB3 MET A 51 -12.980 4.507 3.851 1.00 0.00 H ATOM 798 HG2 MET A 51 -13.466 5.529 1.755 1.00 0.00 H ATOM 799 HG3 MET A 51 -14.563 4.260 1.287 1.00 0.00 H ATOM 800 HE1 MET A 51 -13.978 6.680 4.387 1.00 0.00 H ATOM 801 HE2 MET A 51 -15.632 6.670 5.043 1.00 0.00 H ATOM 802 HE3 MET A 51 -14.676 5.169 5.015 1.00 0.00 H ATOM 803 N ASP A 52 -12.325 1.037 4.171 1.00 0.00 N ATOM 804 CA ASP A 52 -11.637 0.280 5.221 1.00 0.00 C ATOM 805 C ASP A 52 -10.695 -0.768 4.630 1.00 0.00 C ATOM 806 O ASP A 52 -9.527 -0.849 5.009 1.00 0.00 O ATOM 807 CB ASP A 52 -12.662 -0.406 6.127 1.00 0.00 C ATOM 808 CG ASP A 52 -13.808 0.514 6.502 1.00 0.00 C ATOM 809 OD1 ASP A 52 -14.727 0.686 5.672 1.00 0.00 O ATOM 810 OD2 ASP A 52 -13.788 1.060 7.624 1.00 0.00 O ATOM 811 H ASP A 52 -13.265 0.738 3.877 1.00 0.00 H ATOM 812 HA ASP A 52 -11.039 0.931 5.858 1.00 0.00 H ATOM 813 HB2 ASP A 52 -13.111 -1.282 5.658 1.00 0.00 H ATOM 814 HB3 ASP A 52 -12.224 -0.749 7.064 1.00 0.00 H ATOM 815 N LYS A 53 -11.214 -1.575 3.710 0.00 0.00 N ATOM 816 CA LYS A 53 -10.422 -2.627 3.078 0.00 0.00 C ATOM 817 C LYS A 53 -9.223 -2.050 2.329 0.00 0.00 C ATOM 818 O LYS A 53 -8.225 -2.739 2.114 0.00 0.00 O ATOM 819 CB LYS A 53 -11.292 -3.442 2.121 0.00 0.00 C ATOM 820 CG LYS A 53 -12.521 -4.044 2.784 0.00 0.00 C ATOM 821 CD LYS A 53 -13.141 -5.141 1.932 0.00 0.00 C ATOM 822 CE LYS A 53 -13.429 -4.656 0.520 0.00 0.00 C ATOM 823 NZ LYS A 53 -12.187 -4.557 -0.295 0.00 0.00 N ATOM 824 H LYS A 53 -12.200 -1.456 3.436 1.00 0.00 H ATOM 825 HA LYS A 53 -10.037 -3.334 3.813 1.00 0.00 H ATOM 826 HB2 LYS A 53 -11.675 -2.861 1.281 1.00 0.00 H ATOM 827 HB3 LYS A 53 -10.768 -4.285 1.670 1.00 0.00 H ATOM 828 HG2 LYS A 53 -12.283 -4.485 3.751 1.00 0.00 H ATOM 829 HG3 LYS A 53 -13.295 -3.295 2.955 1.00 0.00 H ATOM 830 HD2 LYS A 53 -12.482 -6.005 1.851 1.00 0.00 H ATOM 831 HD3 LYS A 53 -14.084 -5.490 2.354 1.00 0.00 H ATOM 832 HE2 LYS A 53 -14.105 -5.327 -0.009 1.00 0.00 H ATOM 833 HE3 LYS A 53 -13.892 -3.669 0.517 1.00 0.00 H ATOM 834 HZ1 LYS A 53 -11.742 -5.484 -0.357 1.00 0.00 H ATOM 835 HZ2 LYS A 53 -12.423 -4.226 -1.242 1.00 0.00 H ATOM 836 HZ3 LYS A 53 -11.537 -3.893 0.148 1.00 0.00 H ATOM 837 N ALA A 54 -9.325 -0.786 1.931 1.00 0.00 N ATOM 838 CA ALA A 54 -8.248 -0.117 1.203 1.00 0.00 C ATOM 839 C ALA A 54 -7.169 0.387 2.156 1.00 0.00 C ATOM 840 O ALA A 54 -5.993 0.060 2.006 1.00 0.00 O ATOM 841 CB ALA A 54 -8.805 1.038 0.385 1.00 0.00 C ATOM 842 H ALA A 54 -10.188 -0.263 2.140 1.00 0.00 H ATOM 843 HA ALA A 54 -7.773 -0.794 0.493 1.00 0.00 H ATOM 844 HB1 ALA A 54 -9.286 1.756 1.049 1.00 0.00 H ATOM 845 HB2 ALA A 54 -7.993 1.528 -0.153 1.00 0.00 H ATOM 846 HB3 ALA A 54 -9.536 0.659 -0.329 1.00 0.00 H ATOM 847 N ARG A 55 -7.579 1.189 3.133 1.00 0.00 N ATOM 848 CA ARG A 55 -6.651 1.748 4.110 1.00 0.00 C ATOM 849 C ARG A 55 -5.672 0.693 4.618 1.00 0.00 C ATOM 850 O ARG A 55 -4.489 0.974 4.808 1.00 0.00 O ATOM 851 CB ARG A 55 -7.420 2.352 5.285 1.00 0.00 C ATOM 852 CG ARG A 55 -6.544 3.150 6.239 1.00 0.00 C ATOM 853 CD ARG A 55 -7.297 3.524 7.506 1.00 0.00 C ATOM 854 NE ARG A 55 -7.503 2.370 8.381 1.00 0.00 N ATOM 855 CZ ARG A 55 -8.599 1.613 8.365 1.00 0.00 C ATOM 856 NH1 ARG A 55 -9.588 1.891 7.527 1.00 0.00 N ATOM 857 NH2 ARG A 55 -8.704 0.579 9.190 1.00 0.00 N ATOM 858 H ARG A 55 -8.580 1.422 3.202 1.00 0.00 H ATOM 859 HA ARG A 55 -6.062 2.560 3.682 1.00 0.00 H ATOM 860 HB2 ARG A 55 -8.209 3.040 4.982 1.00 0.00 H ATOM 861 HB3 ARG A 55 -7.916 1.609 5.910 1.00 0.00 H ATOM 862 HG2 ARG A 55 -5.662 2.584 6.540 1.00 0.00 H ATOM 863 HG3 ARG A 55 -6.196 4.076 5.783 1.00 0.00 H ATOM 864 HD2 ARG A 55 -6.763 4.273 8.092 1.00 0.00 H ATOM 865 HD3 ARG A 55 -8.282 3.936 7.289 1.00 0.00 H ATOM 866 HE ARG A 55 -6.757 2.128 9.049 1.00 0.00 H ATOM 867 HH11 ARG A 55 -9.509 2.694 6.886 1.00 0.00 H ATOM 868 HH12 ARG A 55 -10.434 1.305 7.516 1.00 0.00 H ATOM 869 HH21 ARG A 55 -7.938 0.362 9.843 1.00 0.00 H ATOM 870 HH22 ARG A 55 -9.552 -0.005 9.177 1.00 0.00 H ATOM 871 N VAL A 56 -6.171 -0.518 4.848 1.00 0.00 N ATOM 872 CA VAL A 56 -5.332 -1.603 5.345 1.00 0.00 C ATOM 873 C VAL A 56 -4.435 -2.166 4.246 1.00 0.00 C ATOM 874 O VAL A 56 -3.262 -2.452 4.480 1.00 0.00 O ATOM 875 CB VAL A 56 -6.180 -2.744 5.938 1.00 0.00 C ATOM 876 CG1 VAL A 56 -6.990 -2.245 7.123 1.00 0.00 C ATOM 877 CG2 VAL A 56 -7.089 -3.343 4.877 1.00 0.00 C ATOM 878 H VAL A 56 -7.170 -0.693 4.672 1.00 0.00 H ATOM 879 HA VAL A 56 -4.683 -1.269 6.155 1.00 0.00 H ATOM 880 HB VAL A 56 -5.540 -3.559 6.277 1.00 0.00 H ATOM 881 HG11 VAL A 56 -7.654 -1.444 6.798 1.00 0.00 H ATOM 882 HG12 VAL A 56 -7.583 -3.065 7.529 1.00 0.00 H ATOM 883 HG13 VAL A 56 -6.316 -1.869 7.892 1.00 0.00 H ATOM 884 HG21 VAL A 56 -6.485 -3.740 4.061 1.00 0.00 H ATOM 885 HG22 VAL A 56 -7.680 -4.148 5.316 1.00 0.00 H ATOM 886 HG23 VAL A 56 -7.756 -2.572 4.492 1.00 0.00 H ATOM 887 N LEU A 57 -4.993 -2.327 3.050 0.00 0.00 N ATOM 888 CA LEU A 57 -4.234 -2.863 1.924 0.00 0.00 C ATOM 889 C LEU A 57 -3.074 -1.942 1.554 0.00 0.00 C ATOM 890 O LEU A 57 -1.934 -2.387 1.429 0.00 0.00 O ATOM 891 CB LEU A 57 -5.151 -3.070 0.716 0.00 0.00 C ATOM 892 CG LEU A 57 -4.467 -3.618 -0.544 0.00 0.00 C ATOM 893 CD1 LEU A 57 -3.502 -4.743 -0.191 0.00 0.00 C ATOM 894 CD2 LEU A 57 -5.504 -4.103 -1.548 0.00 0.00 C ATOM 895 H LEU A 57 -5.981 -2.069 2.915 1.00 0.00 H ATOM 896 HA LEU A 57 -3.818 -3.842 2.161 1.00 0.00 H ATOM 897 HB2 LEU A 57 -5.926 -3.782 0.999 1.00 0.00 H ATOM 898 HB3 LEU A 57 -5.587 -2.105 0.455 1.00 0.00 H ATOM 899 HG LEU A 57 -3.902 -2.834 -1.050 1.00 0.00 H ATOM 900 HD11 LEU A 57 -4.049 -5.553 0.291 1.00 0.00 H ATOM 901 HD12 LEU A 57 -3.029 -5.115 -1.100 1.00 0.00 H ATOM 902 HD13 LEU A 57 -2.737 -4.367 0.488 1.00 0.00 H ATOM 903 HD21 LEU A 57 -6.154 -3.275 -1.830 1.00 0.00 H ATOM 904 HD22 LEU A 57 -5.001 -4.488 -2.434 1.00 0.00 H ATOM 905 HD23 LEU A 57 -6.103 -4.896 -1.098 1.00 0.00 H ATOM 906 N ILE A 58 -3.371 -0.660 1.378 1.00 0.00 N ATOM 907 CA ILE A 58 -2.350 0.317 1.017 1.00 0.00 C ATOM 908 C ILE A 58 -1.281 0.433 2.102 1.00 0.00 C ATOM 909 O ILE A 58 -0.102 0.632 1.805 1.00 0.00 O ATOM 910 CB ILE A 58 -2.964 1.709 0.767 1.00 0.00 C ATOM 911 CG1 ILE A 58 -1.897 2.680 0.258 1.00 0.00 C ATOM 912 CG2 ILE A 58 -3.607 2.244 2.039 1.00 0.00 C ATOM 913 CD1 ILE A 58 -2.472 3.923 -0.384 1.00 0.00 C ATOM 914 H ILE A 58 -4.345 -0.348 1.499 1.00 0.00 H ATOM 915 HA ILE A 58 -1.846 0.043 0.090 1.00 0.00 H ATOM 916 HB ILE A 58 -3.728 1.656 -0.009 1.00 0.00 H ATOM 917 HG12 ILE A 58 -1.232 3.044 1.041 1.00 0.00 H ATOM 918 HG13 ILE A 58 -1.241 2.246 -0.496 1.00 0.00 H ATOM 919 HG21 ILE A 58 -2.853 2.326 2.821 1.00 0.00 H ATOM 920 HG22 ILE A 58 -4.036 3.227 1.844 1.00 0.00 H ATOM 921 HG23 ILE A 58 -4.394 1.563 2.363 1.00 0.00 H ATOM 922 HD11 ILE A 58 -3.081 4.460 0.344 1.00 0.00 H ATOM 923 HD12 ILE A 58 -1.660 4.567 -0.722 1.00 0.00 H ATOM 924 HD13 ILE A 58 -3.090 3.640 -1.236 1.00 0.00 H ATOM 925 N ASP A 59 -1.700 0.313 3.358 0.00 0.00 N ATOM 926 CA ASP A 59 -0.778 0.411 4.483 0.00 0.00 C ATOM 927 C ASP A 59 0.129 -0.814 4.563 0.00 0.00 C ATOM 928 O ASP A 59 1.353 -0.698 4.499 0.00 0.00 O ATOM 929 CB ASP A 59 -1.554 0.568 5.792 0.00 0.00 C ATOM 930 CG ASP A 59 -0.643 0.816 6.979 0.00 0.00 C ATOM 931 OD1 ASP A 59 0.482 0.274 6.987 0.00 0.00 O ATOM 932 OD2 ASP A 59 -1.055 1.552 7.900 0.00 0.00 O ATOM 933 H ASP A 59 -2.700 0.147 3.540 1.00 0.00 H ATOM 934 HA ASP A 59 -0.138 1.289 4.396 1.00 0.00 H ATOM 935 HB2 ASP A 59 -2.254 1.403 5.763 1.00 0.00 H ATOM 936 HB3 ASP A 59 -2.142 -0.317 6.036 1.00 0.00 H ATOM 937 N LEU A 60 -0.480 -1.987 4.709 1.00 0.00 N ATOM 938 CA LEU A 60 0.269 -3.239 4.803 1.00 0.00 C ATOM 939 C LEU A 60 1.425 -3.268 3.803 1.00 0.00 C ATOM 940 O LEU A 60 2.529 -3.704 4.132 1.00 0.00 O ATOM 941 CB LEU A 60 -0.665 -4.428 4.565 1.00 0.00 C ATOM 942 CG LEU A 60 -1.723 -4.656 5.675 1.00 0.00 C ATOM 943 CD1 LEU A 60 -2.966 -5.357 5.136 1.00 0.00 C ATOM 944 CD2 LEU A 60 -1.140 -5.456 6.838 1.00 0.00 C ATOM 945 H LEU A 60 -1.509 -2.014 4.756 1.00 0.00 H ATOM 946 HA LEU A 60 0.689 -3.372 5.800 1.00 0.00 H ATOM 947 HB2 LEU A 60 -1.201 -4.258 3.632 1.00 0.00 H ATOM 948 HB3 LEU A 60 -0.057 -5.331 4.502 1.00 0.00 H ATOM 949 HG LEU A 60 -2.052 -3.717 6.119 1.00 0.00 H ATOM 950 HD11 LEU A 60 -2.687 -6.327 4.724 1.00 0.00 H ATOM 951 HD12 LEU A 60 -3.684 -5.499 5.944 1.00 0.00 H ATOM 952 HD13 LEU A 60 -3.417 -4.747 4.354 1.00 0.00 H ATOM 953 HD21 LEU A 60 -0.298 -4.914 7.267 1.00 0.00 H ATOM 954 HD22 LEU A 60 -1.905 -5.601 7.600 1.00 0.00 H ATOM 955 HD23 LEU A 60 -0.800 -6.427 6.477 1.00 0.00 H ATOM 956 N VAL A 61 1.169 -2.795 2.587 1.00 0.00 N ATOM 957 CA VAL A 61 2.194 -2.764 1.548 1.00 0.00 C ATOM 958 C VAL A 61 3.374 -1.898 1.981 1.00 0.00 C ATOM 959 O VAL A 61 4.470 -2.402 2.225 1.00 0.00 O ATOM 960 CB VAL A 61 1.626 -2.228 0.214 1.00 0.00 C ATOM 961 CG1 VAL A 61 2.734 -2.035 -0.816 1.00 0.00 C ATOM 962 CG2 VAL A 61 0.552 -3.163 -0.325 1.00 0.00 C ATOM 963 H VAL A 61 0.225 -2.443 2.373 1.00 0.00 H ATOM 964 HA VAL A 61 2.564 -3.768 1.342 1.00 0.00 H ATOM 965 HB VAL A 61 1.132 -1.267 0.356 1.00 0.00 H ATOM 966 HG11 VAL A 61 3.225 -2.990 -1.005 1.00 0.00 H ATOM 967 HG12 VAL A 61 2.306 -1.657 -1.744 1.00 0.00 H ATOM 968 HG13 VAL A 61 3.464 -1.321 -0.436 1.00 0.00 H ATOM 969 HG21 VAL A 61 -0.260 -3.240 0.398 1.00 0.00 H ATOM 970 HG22 VAL A 61 0.164 -2.769 -1.265 1.00 0.00 H ATOM 971 HG23 VAL A 61 0.981 -4.151 -0.495 1.00 0.00 H ATOM 972 N THR A 62 3.141 -0.593 2.073 1.00 0.00 N ATOM 973 CA THR A 62 4.182 0.343 2.477 1.00 0.00 C ATOM 974 C THR A 62 4.975 -0.194 3.664 1.00 0.00 C ATOM 975 O THR A 62 6.183 0.017 3.764 1.00 0.00 O ATOM 976 CB THR A 62 3.591 1.718 2.846 1.00 0.00 C ATOM 977 OG1 THR A 62 2.606 2.102 1.881 1.00 0.00 O ATOM 978 CG2 THR A 62 4.683 2.775 2.911 1.00 0.00 C ATOM 979 H THR A 62 2.200 -0.235 1.855 1.00 0.00 H ATOM 980 HA THR A 62 4.885 0.524 1.663 1.00 0.00 H ATOM 981 HB THR A 62 3.099 1.678 3.818 1.00 0.00 H ATOM 982 HG1 THR A 62 2.977 2.864 1.295 1.00 0.00 H ATOM 983 HG21 THR A 62 4.242 3.737 3.173 1.00 0.00 H ATOM 984 HG22 THR A 62 5.417 2.494 3.666 1.00 0.00 H ATOM 985 HG23 THR A 62 5.172 2.852 1.940 1.00 0.00 H ATOM 986 N GLY A 63 4.285 -0.892 4.562 1.00 0.00 N ATOM 987 CA GLY A 63 4.940 -1.450 5.730 1.00 0.00 C ATOM 988 C GLY A 63 6.128 -2.319 5.368 1.00 0.00 C ATOM 989 O GLY A 63 7.155 -2.292 6.047 1.00 0.00 O ATOM 990 H GLY A 63 3.275 -1.038 4.426 1.00 0.00 H ATOM 991 HA2 GLY A 63 5.318 -0.680 6.403 1.00 0.00 H ATOM 992 HA3 GLY A 63 4.273 -2.075 6.323 1.00 0.00 H ATOM 993 N LYS A 64 5.989 -3.092 4.296 1.00 0.00 N ATOM 994 CA LYS A 64 7.058 -3.973 3.842 1.00 0.00 C ATOM 995 C LYS A 64 8.152 -3.178 3.138 1.00 0.00 C ATOM 996 O LYS A 64 8.850 -3.700 2.268 1.00 0.00 O ATOM 997 CB LYS A 64 6.501 -5.041 2.902 1.00 0.00 C ATOM 998 CG LYS A 64 5.237 -5.710 3.422 1.00 0.00 C ATOM 999 CD LYS A 64 5.373 -6.091 4.887 1.00 0.00 C ATOM 1000 CE LYS A 64 4.218 -6.969 5.345 1.00 0.00 C ATOM 1001 NZ LYS A 64 4.121 -7.031 6.829 1.00 0.00 N ATOM 1002 H LYS A 64 5.103 -3.067 3.771 1.00 0.00 H ATOM 1003 HA LYS A 64 7.510 -4.498 4.684 1.00 0.00 H ATOM 1004 HB2 LYS A 64 6.235 -4.658 1.916 1.00 0.00 H ATOM 1005 HB3 LYS A 64 7.196 -5.859 2.710 1.00 0.00 H ATOM 1006 HG2 LYS A 64 4.373 -5.050 3.335 1.00 0.00 H ATOM 1007 HG3 LYS A 64 5.010 -6.620 2.867 1.00 0.00 H ATOM 1008 HD2 LYS A 64 6.294 -6.642 5.072 1.00 0.00 H ATOM 1009 HD3 LYS A 64 5.386 -5.210 5.529 1.00 0.00 H ATOM 1010 HE2 LYS A 64 3.259 -6.603 4.979 1.00 0.00 H ATOM 1011 HE3 LYS A 64 4.322 -7.995 4.991 1.00 0.00 H ATOM 1012 HZ1 LYS A 64 3.973 -6.083 7.204 1.00 0.00 H ATOM 1013 HZ2 LYS A 64 3.329 -7.633 7.097 1.00 0.00 H ATOM 1014 HZ3 LYS A 64 4.993 -7.419 7.215 1.00 0.00 H ATOM 1015 N GLY A 65 8.296 -1.913 3.520 0.00 0.00 N ATOM 1016 CA GLY A 65 9.306 -1.062 2.916 0.00 0.00 C ATOM 1017 C GLY A 65 8.892 -0.555 1.549 0.00 0.00 C ATOM 1018 O GLY A 65 7.868 -0.976 1.010 0.00 0.00 O ATOM 1019 H GLY A 65 7.683 -1.531 4.254 1.00 0.00 H ATOM 1020 HA2 GLY A 65 9.520 -0.180 3.520 1.00 0.00 H ATOM 1021 HA3 GLY A 65 10.256 -1.578 2.779 1.00 0.00 H ATOM 1022 N PRO A 66 9.676 0.359 0.961 0.00 0.00 N ATOM 1023 CA PRO A 66 9.383 0.927 -0.361 0.00 0.00 C ATOM 1024 C PRO A 66 9.669 -0.069 -1.485 0.00 0.00 C ATOM 1025 O PRO A 66 9.300 0.156 -2.637 0.00 0.00 O ATOM 1026 CB PRO A 66 10.331 2.138 -0.423 0.00 0.00 C ATOM 1027 CG PRO A 66 11.501 1.708 0.389 0.00 0.00 C ATOM 1028 CD PRO A 66 10.917 0.914 1.537 0.00 0.00 C ATOM 1029 HA PRO A 66 8.337 1.220 -0.455 1.00 0.00 H ATOM 1030 HB2 PRO A 66 10.614 2.360 -1.452 1.00 0.00 H ATOM 1031 HB3 PRO A 66 9.856 3.026 -0.007 1.00 0.00 H ATOM 1032 HG2 PRO A 66 12.111 1.108 -0.286 1.00 0.00 H ATOM 1033 HG3 PRO A 66 11.985 2.632 0.704 1.00 0.00 H ATOM 1034 HD2 PRO A 66 11.587 0.120 1.865 1.00 0.00 H ATOM 1035 HD3 PRO A 66 10.702 1.545 2.400 1.00 0.00 H ATOM 1036 N LYS A 67 10.325 -1.171 -1.142 0.00 0.00 N ATOM 1037 CA LYS A 67 10.654 -2.197 -2.121 0.00 0.00 C ATOM 1038 C LYS A 67 9.372 -2.775 -2.733 0.00 0.00 C ATOM 1039 O LYS A 67 9.358 -3.212 -3.883 0.00 0.00 O ATOM 1040 CB LYS A 67 11.516 -3.295 -1.461 0.00 0.00 C ATOM 1041 CG LYS A 67 12.551 -3.916 -2.390 0.00 0.00 C ATOM 1042 CD LYS A 67 11.902 -4.749 -3.490 0.00 0.00 C ATOM 1043 CE LYS A 67 12.899 -5.702 -4.132 0.00 0.00 C ATOM 1044 NZ LYS A 67 13.602 -6.537 -3.119 0.00 0.00 N ATOM 1045 H LYS A 67 10.608 -1.304 -0.161 1.00 0.00 H ATOM 1046 HA LYS A 67 11.264 -1.774 -2.920 1.00 0.00 H ATOM 1047 HB2 LYS A 67 12.048 -2.853 -0.619 1.00 0.00 H ATOM 1048 HB3 LYS A 67 10.854 -4.092 -1.120 1.00 0.00 H ATOM 1049 HG2 LYS A 67 13.161 -3.160 -2.884 1.00 0.00 H ATOM 1050 HG3 LYS A 67 13.235 -4.576 -1.856 1.00 0.00 H ATOM 1051 HD2 LYS A 67 11.080 -5.352 -3.104 1.00 0.00 H ATOM 1052 HD3 LYS A 67 11.498 -4.121 -4.283 1.00 0.00 H ATOM 1053 HE2 LYS A 67 12.417 -6.389 -4.828 1.00 0.00 H ATOM 1054 HE3 LYS A 67 13.668 -5.171 -4.693 1.00 0.00 H ATOM 1055 HZ1 LYS A 67 12.914 -7.096 -2.596 1.00 0.00 H ATOM 1056 HZ2 LYS A 67 14.266 -7.166 -3.593 1.00 0.00 H ATOM 1057 HZ3 LYS A 67 14.115 -5.927 -2.466 1.00 0.00 H ATOM 1058 N SER A 68 8.299 -2.764 -1.947 1.00 0.00 N ATOM 1059 CA SER A 68 7.008 -3.279 -2.396 1.00 0.00 C ATOM 1060 C SER A 68 6.290 -2.265 -3.283 1.00 0.00 C ATOM 1061 O SER A 68 5.687 -2.628 -4.292 1.00 0.00 O ATOM 1062 CB SER A 68 6.129 -3.619 -1.190 1.00 0.00 C ATOM 1063 OG SER A 68 5.044 -4.448 -1.567 1.00 0.00 O ATOM 1064 H SER A 68 8.381 -2.381 -0.994 1.00 0.00 H ATOM 1065 HA SER A 68 7.130 -4.197 -2.971 1.00 0.00 H ATOM 1066 HB2 SER A 68 6.699 -4.145 -0.425 1.00 0.00 H ATOM 1067 HB3 SER A 68 5.717 -2.717 -0.738 1.00 0.00 H ATOM 1068 HG SER A 68 5.269 -5.429 -1.349 1.00 0.00 H ATOM 1069 N CYS A 69 6.351 -0.994 -2.893 1.00 0.00 N ATOM 1070 CA CYS A 69 5.698 0.072 -3.648 1.00 0.00 C ATOM 1071 C CYS A 69 5.903 -0.110 -5.150 1.00 0.00 C ATOM 1072 O CYS A 69 5.019 0.199 -5.949 1.00 0.00 O ATOM 1073 CB CYS A 69 6.239 1.439 -3.216 1.00 0.00 C ATOM 1074 SG CYS A 69 7.784 1.911 -4.027 1.00 0.00 S ATOM 1075 H CYS A 69 6.871 -0.757 -2.036 1.00 0.00 H ATOM 1076 HA CYS A 69 4.625 0.089 -3.461 1.00 0.00 H ATOM 1077 HB2 CYS A 69 5.492 2.195 -3.457 1.00 0.00 H ATOM 1078 HB3 CYS A 69 6.423 1.411 -2.142 1.00 0.00 H ATOM 1079 HG CYS A 69 7.989 3.226 -3.869 1.00 0.00 H ATOM 1080 N CYS A 70 7.075 -0.608 -5.526 1.00 0.00 N ATOM 1081 CA CYS A 70 7.399 -0.826 -6.931 1.00 0.00 C ATOM 1082 C CYS A 70 6.383 -1.751 -7.594 1.00 0.00 C ATOM 1083 O CYS A 70 5.643 -1.339 -8.488 1.00 0.00 O ATOM 1084 CB CYS A 70 8.804 -1.417 -7.065 1.00 0.00 C ATOM 1085 SG CYS A 70 10.061 -0.556 -6.091 1.00 0.00 S ATOM 1086 H CYS A 70 7.773 -0.847 -4.807 1.00 0.00 H ATOM 1087 HA CYS A 70 7.402 0.114 -7.484 1.00 0.00 H ATOM 1088 HB2 CYS A 70 8.774 -2.453 -6.728 1.00 0.00 H ATOM 1089 HB3 CYS A 70 9.101 -1.363 -8.112 1.00 0.00 H ATOM 1090 HG CYS A 70 9.798 0.758 -6.081 1.00 0.00 H ATOM 1091 N LYS A 71 6.354 -3.004 -7.151 1.00 0.00 N ATOM 1092 CA LYS A 71 5.432 -3.990 -7.703 1.00 0.00 C ATOM 1093 C LYS A 71 3.986 -3.515 -7.589 1.00 0.00 C ATOM 1094 O LYS A 71 3.150 -3.832 -8.435 1.00 0.00 O ATOM 1095 CB LYS A 71 5.598 -5.330 -6.982 1.00 0.00 C ATOM 1096 CG LYS A 71 7.049 -5.730 -6.769 1.00 0.00 C ATOM 1097 CD LYS A 71 7.859 -5.592 -8.049 1.00 0.00 C ATOM 1098 CE LYS A 71 9.212 -6.276 -7.929 1.00 0.00 C ATOM 1099 NZ LYS A 71 10.153 -5.836 -8.996 1.00 0.00 N ATOM 1100 H LYS A 71 7.000 -3.285 -6.399 1.00 0.00 H ATOM 1101 HA LYS A 71 5.639 -4.175 -8.757 1.00 0.00 H ATOM 1102 HB2 LYS A 71 5.150 -5.349 -5.989 1.00 0.00 H ATOM 1103 HB3 LYS A 71 5.148 -6.169 -7.512 1.00 0.00 H ATOM 1104 HG2 LYS A 71 7.528 -5.109 -6.013 1.00 0.00 H ATOM 1105 HG3 LYS A 71 7.134 -6.766 -6.441 1.00 0.00 H ATOM 1106 HD2 LYS A 71 7.344 -6.040 -8.899 1.00 0.00 H ATOM 1107 HD3 LYS A 71 8.044 -4.547 -8.295 1.00 0.00 H ATOM 1108 HE2 LYS A 71 9.692 -6.061 -6.974 1.00 0.00 H ATOM 1109 HE3 LYS A 71 9.128 -7.360 -8.006 1.00 0.00 H ATOM 1110 HZ1 LYS A 71 10.298 -4.818 -8.928 1.00 0.00 H ATOM 1111 HZ2 LYS A 71 11.055 -6.319 -8.880 1.00 0.00 H ATOM 1112 HZ3 LYS A 71 9.757 -6.064 -9.919 1.00 0.00 H ATOM 1113 N PHE A 72 3.699 -2.759 -6.536 0.00 0.00 N ATOM 1114 CA PHE A 72 2.354 -2.243 -6.307 0.00 0.00 C ATOM 1115 C PHE A 72 1.908 -1.338 -7.452 0.00 0.00 C ATOM 1116 O PHE A 72 0.945 -1.641 -8.157 0.00 0.00 O ATOM 1117 CB PHE A 72 2.304 -1.476 -4.985 0.00 0.00 C ATOM 1118 CG PHE A 72 0.974 -0.837 -4.707 0.00 0.00 C ATOM 1119 CD1 PHE A 72 -0.014 -1.532 -4.028 0.00 0.00 C ATOM 1120 CD2 PHE A 72 0.711 0.458 -5.125 0.00 0.00 C ATOM 1121 CE1 PHE A 72 -1.238 -0.947 -3.769 0.00 0.00 C ATOM 1122 CE2 PHE A 72 -0.513 1.048 -4.869 0.00 0.00 C ATOM 1123 CZ PHE A 72 -1.488 0.344 -4.190 0.00 0.00 C ATOM 1124 H PHE A 72 4.446 -2.530 -5.865 1.00 0.00 H ATOM 1125 HA PHE A 72 1.631 -3.055 -6.224 1.00 0.00 H ATOM 1126 HB2 PHE A 72 2.506 -2.095 -4.111 1.00 0.00 H ATOM 1127 HB3 PHE A 72 3.025 -0.661 -4.924 1.00 0.00 H ATOM 1128 HD1 PHE A 72 0.177 -2.552 -3.695 1.00 0.00 H ATOM 1129 HD2 PHE A 72 1.477 1.018 -5.661 1.00 0.00 H ATOM 1130 HE1 PHE A 72 -2.007 -1.504 -3.233 1.00 0.00 H ATOM 1131 HE2 PHE A 72 -0.707 2.068 -5.202 1.00 0.00 H ATOM 1132 HZ PHE A 72 -2.454 0.807 -3.987 1.00 0.00 H ATOM 1133 N ILE A 73 2.611 -0.224 -7.630 1.00 0.00 N ATOM 1134 CA ILE A 73 2.283 0.726 -8.686 1.00 0.00 C ATOM 1135 C ILE A 73 2.231 0.047 -10.051 1.00 0.00 C ATOM 1136 O ILE A 73 1.435 0.422 -10.912 1.00 0.00 O ATOM 1137 CB ILE A 73 3.300 1.880 -8.740 1.00 0.00 C ATOM 1138 CG1 ILE A 73 3.352 2.605 -7.394 1.00 0.00 C ATOM 1139 CG2 ILE A 73 2.943 2.850 -9.856 1.00 0.00 C ATOM 1140 CD1 ILE A 73 4.507 3.571 -7.275 1.00 0.00 C ATOM 1141 H ILE A 73 3.407 -0.027 -7.007 1.00 0.00 H ATOM 1142 HA ILE A 73 1.311 1.191 -8.515 1.00 0.00 H ATOM 1143 HB ILE A 73 4.303 1.493 -8.924 1.00 0.00 H ATOM 1144 HG12 ILE A 73 2.461 3.197 -7.186 1.00 0.00 H ATOM 1145 HG13 ILE A 73 3.453 1.932 -6.543 1.00 0.00 H ATOM 1146 HG21 ILE A 73 1.949 3.261 -9.677 1.00 0.00 H ATOM 1147 HG22 ILE A 73 3.671 3.660 -9.882 1.00 0.00 H ATOM 1148 HG23 ILE A 73 2.951 2.324 -10.811 1.00 0.00 H ATOM 1149 HD11 ILE A 73 4.427 4.331 -8.053 1.00 0.00 H ATOM 1150 HD12 ILE A 73 4.482 4.049 -6.296 1.00 0.00 H ATOM 1151 HD13 ILE A 73 5.447 3.031 -7.391 1.00 0.00 H ATOM 1152 N LYS A 74 3.087 -0.951 -10.245 1.00 0.00 N ATOM 1153 CA LYS A 74 3.140 -1.678 -11.508 1.00 0.00 C ATOM 1154 C LYS A 74 1.885 -2.521 -11.713 1.00 0.00 C ATOM 1155 O LYS A 74 1.162 -2.348 -12.695 1.00 0.00 O ATOM 1156 CB LYS A 74 4.382 -2.572 -11.552 1.00 0.00 C ATOM 1157 CG LYS A 74 5.685 -1.796 -11.659 1.00 0.00 C ATOM 1158 CD LYS A 74 6.892 -2.710 -11.510 1.00 0.00 C ATOM 1159 CE LYS A 74 8.191 -1.959 -11.751 1.00 0.00 C ATOM 1160 NZ LYS A 74 9.384 -2.814 -11.494 1.00 0.00 N ATOM 1161 H LYS A 74 3.728 -1.218 -9.484 1.00 0.00 H ATOM 1162 HA LYS A 74 3.222 -0.995 -12.353 1.00 0.00 H ATOM 1163 HB2 LYS A 74 4.498 -3.200 -10.669 1.00 0.00 H ATOM 1164 HB3 LYS A 74 4.392 -3.262 -12.395 1.00 0.00 H ATOM 1165 HG2 LYS A 74 5.774 -1.295 -12.623 1.00 0.00 H ATOM 1166 HG3 LYS A 74 5.760 -1.031 -10.887 1.00 0.00 H ATOM 1167 HD2 LYS A 74 6.945 -3.140 -10.510 1.00 0.00 H ATOM 1168 HD3 LYS A 74 6.857 -3.536 -12.219 1.00 0.00 H ATOM 1169 HE2 LYS A 74 8.271 -1.603 -12.778 1.00 0.00 H ATOM 1170 HE3 LYS A 74 8.283 -1.085 -11.105 1.00 0.00 H ATOM 1171 HZ1 LYS A 74 9.363 -3.631 -12.121 1.00 0.00 H ATOM 1172 HZ2 LYS A 74 10.241 -2.270 -11.668 1.00 0.00 H ATOM 1173 HZ3 LYS A 74 9.373 -3.134 -10.515 1.00 0.00 H ATOM 1174 N HIS A 75 1.632 -3.435 -10.783 1.00 0.00 N ATOM 1175 CA HIS A 75 0.466 -4.305 -10.865 1.00 0.00 C ATOM 1176 C HIS A 75 -0.816 -3.490 -10.992 1.00 0.00 C ATOM 1177 O HIS A 75 -1.729 -3.861 -11.729 1.00 0.00 O ATOM 1178 CB HIS A 75 0.392 -5.207 -9.632 1.00 0.00 C ATOM 1179 CG HIS A 75 1.631 -6.016 -9.406 1.00 0.00 C ATOM 1180 ND1 HIS A 75 2.601 -6.218 -10.362 1.00 0.00 N ATOM 1181 CD2 HIS A 75 2.051 -6.682 -8.300 1.00 0.00 C ATOM 1182 CE1 HIS A 75 3.559 -6.984 -9.821 1.00 0.00 C ATOM 1183 NE2 HIS A 75 3.272 -7.292 -8.570 1.00 0.00 N ATOM 1184 H HIS A 75 2.276 -3.532 -9.984 1.00 0.00 H ATOM 1185 HA HIS A 75 0.530 -4.964 -11.731 1.00 0.00 H ATOM 1186 HB2 HIS A 75 0.236 -4.661 -8.701 1.00 0.00 H ATOM 1187 HB3 HIS A 75 -0.419 -5.935 -9.671 1.00 0.00 H ATOM 1188 HD1 HIS A 75 2.592 -5.847 -11.323 1.00 0.00 H ATOM 1189 HD2 HIS A 75 1.516 -6.730 -7.351 1.00 0.00 H ATOM 1190 HE1 HIS A 75 4.457 -7.310 -10.345 1.00 0.00 H ATOM 1191 N LEU A 76 -0.880 -2.379 -10.266 0.00 0.00 N ATOM 1192 CA LEU A 76 -2.054 -1.514 -10.293 0.00 0.00 C ATOM 1193 C LEU A 76 -2.279 -0.924 -11.682 0.00 0.00 C ATOM 1194 O LEU A 76 -3.417 -0.789 -12.130 0.00 0.00 O ATOM 1195 CB LEU A 76 -1.904 -0.388 -9.267 0.00 0.00 C ATOM 1196 CG LEU A 76 -3.073 0.598 -9.207 0.00 0.00 C ATOM 1197 CD1 LEU A 76 -4.342 -0.101 -8.740 0.00 0.00 C ATOM 1198 CD2 LEU A 76 -2.732 1.765 -8.292 0.00 0.00 C ATOM 1199 H LEU A 76 -0.080 -2.122 -9.671 1.00 0.00 H ATOM 1200 HA LEU A 76 -2.956 -2.061 -10.019 1.00 0.00 H ATOM 1201 HB2 LEU A 76 -1.808 -0.840 -8.280 1.00 0.00 H ATOM 1202 HB3 LEU A 76 -1.010 0.183 -9.520 1.00 0.00 H ATOM 1203 HG LEU A 76 -3.264 1.029 -10.190 1.00 0.00 H ATOM 1204 HD11 LEU A 76 -4.182 -0.519 -7.746 1.00 0.00 H ATOM 1205 HD12 LEU A 76 -5.161 0.617 -8.704 1.00 0.00 H ATOM 1206 HD13 LEU A 76 -4.593 -0.903 -9.434 1.00 0.00 H ATOM 1207 HD21 LEU A 76 -1.851 2.281 -8.673 1.00 0.00 H ATOM 1208 HD22 LEU A 76 -3.572 2.459 -8.258 1.00 0.00 H ATOM 1209 HD23 LEU A 76 -2.529 1.393 -7.288 1.00 0.00 H ATOM 1210 N CYS A 77 -1.191 -0.563 -12.355 1.00 0.00 N ATOM 1211 CA CYS A 77 -1.277 0.023 -13.689 1.00 0.00 C ATOM 1212 C CYS A 77 -2.018 -0.894 -14.658 1.00 0.00 C ATOM 1213 O CYS A 77 -2.872 -0.443 -15.421 1.00 0.00 O ATOM 1214 CB CYS A 77 0.124 0.324 -14.227 1.00 0.00 C ATOM 1215 SG CYS A 77 1.008 1.604 -13.307 1.00 0.00 S ATOM 1216 H CYS A 77 -0.266 -0.701 -11.925 1.00 0.00 H ATOM 1217 HA CYS A 77 -1.806 0.976 -13.674 1.00 0.00 H ATOM 1218 HB2 CYS A 77 0.715 -0.591 -14.175 1.00 0.00 H ATOM 1219 HB3 CYS A 77 0.030 0.661 -15.259 1.00 0.00 H ATOM 1220 HG CYS A 77 0.419 2.790 -13.513 1.00 0.00 H ATOM 1221 N GLU A 78 -1.679 -2.179 -14.633 1.00 0.00 N ATOM 1222 CA GLU A 78 -2.307 -3.154 -15.522 1.00 0.00 C ATOM 1223 C GLU A 78 -3.715 -3.524 -15.053 1.00 0.00 C ATOM 1224 O GLU A 78 -4.554 -3.933 -15.855 1.00 0.00 O ATOM 1225 CB GLU A 78 -1.442 -4.414 -15.620 1.00 0.00 C ATOM 1226 CG GLU A 78 -0.987 -4.948 -14.271 1.00 0.00 C ATOM 1227 CD GLU A 78 -0.122 -6.187 -14.396 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -0.431 -7.043 -15.252 1.00 0.00 O ATOM 1229 OE2 GLU A 78 0.864 -6.301 -13.639 1.00 0.00 O ATOM 1230 H GLU A 78 -0.956 -2.495 -13.971 1.00 0.00 H ATOM 1231 HA GLU A 78 -2.397 -2.773 -16.539 1.00 0.00 H ATOM 1232 HB2 GLU A 78 -1.946 -5.254 -16.100 1.00 0.00 H ATOM 1233 HB3 GLU A 78 -0.525 -4.272 -16.191 1.00 0.00 H ATOM 1234 HG2 GLU A 78 -0.397 -4.222 -13.711 1.00 0.00 H ATOM 1235 HG3 GLU A 78 -1.821 -5.223 -13.626 1.00 0.00 H ATOM 1236 N GLU A 79 -3.968 -3.387 -13.753 1.00 0.00 N ATOM 1237 CA GLU A 79 -5.278 -3.718 -13.182 1.00 0.00 C ATOM 1238 C GLU A 79 -6.276 -2.581 -13.378 1.00 0.00 C ATOM 1239 O GLU A 79 -7.474 -2.816 -13.536 1.00 0.00 O ATOM 1240 CB GLU A 79 -5.140 -4.024 -11.691 1.00 0.00 C ATOM 1241 CG GLU A 79 -4.394 -5.319 -11.404 1.00 0.00 C ATOM 1242 CD GLU A 79 -5.239 -6.550 -11.664 1.00 0.00 C ATOM 1243 OE1 GLU A 79 -6.468 -6.402 -11.830 1.00 0.00 O ATOM 1244 OE2 GLU A 79 -4.672 -7.662 -11.702 1.00 0.00 O ATOM 1245 H GLU A 79 -3.224 -3.040 -13.131 1.00 0.00 H ATOM 1246 HA GLU A 79 -5.702 -4.608 -13.647 1.00 0.00 H ATOM 1247 HB2 GLU A 79 -4.602 -3.255 -11.137 1.00 0.00 H ATOM 1248 HB3 GLU A 79 -6.097 -4.127 -11.179 1.00 0.00 H ATOM 1249 HG2 GLU A 79 -3.498 -5.431 -12.015 1.00 0.00 H ATOM 1250 HG3 GLU A 79 -4.064 -5.391 -10.367 1.00 0.00 H ATOM 1251 N ASP A 80 -5.777 -1.344 -13.354 1.00 0.00 N ATOM 1252 CA ASP A 80 -6.622 -0.151 -13.513 1.00 0.00 C ATOM 1253 C ASP A 80 -5.833 0.998 -14.165 1.00 0.00 C ATOM 1254 O ASP A 80 -5.023 1.631 -13.489 1.00 0.00 O ATOM 1255 CB ASP A 80 -7.124 0.302 -12.140 1.00 0.00 C ATOM 1256 CG ASP A 80 -8.268 1.291 -12.241 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -8.669 1.622 -13.377 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -8.763 1.735 -11.184 1.00 0.00 O ATOM 1259 H ASP A 80 -4.763 -1.220 -13.218 1.00 0.00 H ATOM 1260 HA ASP A 80 -7.484 -0.367 -14.144 1.00 0.00 H ATOM 1261 HB2 ASP A 80 -7.488 -0.529 -11.536 1.00 0.00 H ATOM 1262 HB3 ASP A 80 -6.345 0.791 -11.554 1.00 0.00 H ATOM 1263 N PRO A 81 -6.031 1.306 -15.475 0.00 0.00 N ATOM 1264 CA PRO A 81 -5.294 2.394 -16.124 0.00 0.00 C ATOM 1265 C PRO A 81 -5.919 3.758 -15.833 0.00 0.00 C ATOM 1266 O PRO A 81 -5.294 4.796 -16.049 0.00 0.00 O ATOM 1267 CB PRO A 81 -5.402 2.032 -17.608 0.00 0.00 C ATOM 1268 CG PRO A 81 -6.754 1.421 -17.723 0.00 0.00 C ATOM 1269 CD PRO A 81 -6.963 0.646 -16.427 0.00 0.00 C ATOM 1270 HA PRO A 81 -4.258 2.440 -15.787 1.00 0.00 H ATOM 1271 HB2 PRO A 81 -5.307 2.919 -18.234 1.00 0.00 H ATOM 1272 HB3 PRO A 81 -4.618 1.332 -17.897 1.00 0.00 H ATOM 1273 HG2 PRO A 81 -7.444 2.257 -17.837 1.00 0.00 H ATOM 1274 HG3 PRO A 81 -6.711 0.779 -18.603 1.00 0.00 H ATOM 1275 HD2 PRO A 81 -7.993 0.715 -16.077 1.00 0.00 H ATOM 1276 HD3 PRO A 81 -6.719 -0.410 -16.544 1.00 0.00 H ATOM 1277 N GLN A 82 -7.151 3.747 -15.331 1.00 0.00 N ATOM 1278 CA GLN A 82 -7.854 4.981 -15.002 1.00 0.00 C ATOM 1279 C GLN A 82 -7.278 5.597 -13.733 1.00 0.00 C ATOM 1280 O GLN A 82 -6.688 6.677 -13.767 1.00 0.00 O ATOM 1281 CB GLN A 82 -9.350 4.713 -14.827 1.00 0.00 C ATOM 1282 CG GLN A 82 -10.207 5.967 -14.901 1.00 0.00 C ATOM 1283 CD GLN A 82 -9.769 7.032 -13.915 1.00 0.00 C ATOM 1284 OE1 GLN A 82 -9.215 8.062 -14.300 1.00 0.00 O ATOM 1285 NE2 GLN A 82 -10.015 6.789 -12.633 1.00 0.00 N ATOM 1286 H GLN A 82 -7.621 2.844 -15.173 1.00 0.00 H ATOM 1287 HA GLN A 82 -7.755 5.703 -15.813 1.00 0.00 H ATOM 1288 HB2 GLN A 82 -9.765 4.044 -15.581 1.00 0.00 H ATOM 1289 HB3 GLN A 82 -9.604 4.254 -13.872 1.00 0.00 H ATOM 1290 HG2 GLN A 82 -10.181 6.437 -15.884 1.00 0.00 H ATOM 1291 HG3 GLN A 82 -11.258 5.771 -14.687 1.00 0.00 H ATOM 1292 HE21 GLN A 82 -10.481 5.913 -12.355 1.00 0.00 H ATOM 1293 HE22 GLN A 82 -9.740 7.475 -11.916 1.00 0.00 H ATOM 1294 N LEU A 83 -7.444 4.899 -12.614 1.00 0.00 N ATOM 1295 CA LEU A 83 -6.927 5.374 -11.337 1.00 0.00 C ATOM 1296 C LEU A 83 -5.410 5.502 -11.402 1.00 0.00 C ATOM 1297 O LEU A 83 -4.836 6.487 -10.936 1.00 0.00 O ATOM 1298 CB LEU A 83 -7.331 4.415 -10.211 1.00 0.00 C ATOM 1299 CG LEU A 83 -6.586 4.600 -8.884 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -6.734 6.026 -8.376 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -7.098 3.609 -7.849 1.00 0.00 C ATOM 1302 H LEU A 83 -7.949 4.002 -12.650 1.00 0.00 H ATOM 1303 HA LEU A 83 -7.353 6.348 -11.099 1.00 0.00 H ATOM 1304 HB2 LEU A 83 -8.392 4.562 -10.008 1.00 0.00 H ATOM 1305 HB3 LEU A 83 -7.137 3.397 -10.550 1.00 0.00 H ATOM 1306 HG LEU A 83 -5.523 4.392 -9.005 1.00 0.00 H ATOM 1307 HD11 LEU A 83 -7.790 6.249 -8.220 1.00 0.00 H ATOM 1308 HD12 LEU A 83 -6.197 6.134 -7.433 1.00 0.00 H ATOM 1309 HD13 LEU A 83 -6.322 6.719 -9.109 1.00 0.00 H ATOM 1310 HD21 LEU A 83 -6.939 2.593 -8.208 1.00 0.00 H ATOM 1311 HD22 LEU A 83 -6.561 3.752 -6.911 1.00 0.00 H ATOM 1312 HD23 LEU A 83 -8.163 3.773 -7.685 1.00 0.00 H ATOM 1313 N ALA A 84 -4.765 4.501 -11.991 1.00 0.00 N ATOM 1314 CA ALA A 84 -3.315 4.502 -12.123 1.00 0.00 C ATOM 1315 C ALA A 84 -2.837 5.756 -12.843 1.00 0.00 C ATOM 1316 O ALA A 84 -1.637 6.002 -12.950 1.00 0.00 O ATOM 1317 CB ALA A 84 -2.851 3.256 -12.858 1.00 0.00 C ATOM 1318 H ALA A 84 -5.303 3.705 -12.363 1.00 0.00 H ATOM 1319 HA ALA A 84 -2.836 4.472 -11.145 1.00 0.00 H ATOM 1320 HB1 ALA A 84 -3.298 3.231 -13.852 1.00 0.00 H ATOM 1321 HB2 ALA A 84 -1.764 3.271 -12.949 1.00 0.00 H ATOM 1322 HB3 ALA A 84 -3.156 2.370 -12.301 1.00 0.00 H ATOM 1323 N SER A 85 -3.786 6.550 -13.330 1.00 0.00 N ATOM 1324 CA SER A 85 -3.459 7.784 -14.032 1.00 0.00 C ATOM 1325 C SER A 85 -2.811 8.779 -13.078 1.00 0.00 C ATOM 1326 O SER A 85 -1.802 9.404 -13.403 1.00 0.00 O ATOM 1327 CB SER A 85 -4.719 8.392 -14.651 1.00 0.00 C ATOM 1328 OG SER A 85 -4.409 9.545 -15.413 1.00 0.00 O ATOM 1329 H SER A 85 -4.774 6.287 -13.208 1.00 0.00 H ATOM 1330 HA SER A 85 -2.765 7.582 -14.848 1.00 0.00 H ATOM 1331 HB2 SER A 85 -5.215 7.680 -15.312 1.00 0.00 H ATOM 1332 HB3 SER A 85 -5.433 8.684 -13.881 1.00 0.00 H ATOM 1333 HG SER A 85 -5.036 10.316 -15.141 1.00 0.00 H ATOM 1334 N LYS A 86 -3.397 8.911 -11.891 0.00 0.00 N ATOM 1335 CA LYS A 86 -2.880 9.819 -10.870 0.00 0.00 C ATOM 1336 C LYS A 86 -1.701 9.184 -10.144 0.00 0.00 C ATOM 1337 O LYS A 86 -1.155 9.755 -9.201 0.00 0.00 O ATOM 1338 CB LYS A 86 -3.983 10.167 -9.866 0.00 0.00 C ATOM 1339 CG LYS A 86 -5.059 11.077 -10.434 0.00 0.00 C ATOM 1340 CD LYS A 86 -6.269 11.149 -9.516 0.00 0.00 C ATOM 1341 CE LYS A 86 -7.215 12.265 -9.930 0.00 0.00 C ATOM 1342 NZ LYS A 86 -7.805 12.022 -11.275 0.00 0.00 N ATOM 1343 H LYS A 86 -4.240 8.356 -11.685 1.00 0.00 H ATOM 1344 HA LYS A 86 -2.546 10.751 -11.326 1.00 0.00 H ATOM 1345 HB2 LYS A 86 -4.520 9.297 -9.488 1.00 0.00 H ATOM 1346 HB3 LYS A 86 -3.618 10.681 -8.977 1.00 0.00 H ATOM 1347 HG2 LYS A 86 -4.691 12.095 -10.568 1.00 0.00 H ATOM 1348 HG3 LYS A 86 -5.407 10.727 -11.405 1.00 0.00 H ATOM 1349 HD2 LYS A 86 -6.836 10.219 -9.530 1.00 0.00 H ATOM 1350 HD3 LYS A 86 -5.976 11.337 -8.483 1.00 0.00 H ATOM 1351 HE2 LYS A 86 -8.047 12.372 -9.234 1.00 0.00 H ATOM 1352 HE3 LYS A 86 -6.711 13.230 -9.974 1.00 0.00 H ATOM 1353 HZ1 LYS A 86 -8.333 11.138 -11.264 1.00 0.00 H ATOM 1354 HZ2 LYS A 86 -8.438 12.797 -11.518 1.00 0.00 H ATOM 1355 HZ3 LYS A 86 -7.051 11.962 -11.975 1.00 0.00 H ATOM 1356 N MET A 87 -1.315 7.984 -10.596 1.00 0.00 N ATOM 1357 CA MET A 87 -0.198 7.223 -10.011 1.00 0.00 C ATOM 1358 C MET A 87 0.687 6.652 -11.115 1.00 0.00 C ATOM 1359 O MET A 87 1.572 5.836 -10.858 1.00 0.00 O ATOM 1360 CB MET A 87 -0.739 6.088 -9.137 1.00 0.00 C ATOM 1361 CG MET A 87 -1.800 6.540 -8.138 1.00 0.00 C ATOM 1362 SD MET A 87 -1.086 7.406 -6.727 1.00 0.00 S ATOM 1363 CE MET A 87 -0.801 6.042 -5.602 1.00 0.00 C ATOM 1364 H MET A 87 -1.825 7.573 -11.391 1.00 0.00 H ATOM 1365 HA MET A 87 0.408 7.871 -9.377 1.00 0.00 H ATOM 1366 HB2 MET A 87 -1.209 5.286 -9.706 1.00 0.00 H ATOM 1367 HB3 MET A 87 0.027 5.598 -8.535 1.00 0.00 H ATOM 1368 HG2 MET A 87 -2.525 7.221 -8.584 1.00 0.00 H ATOM 1369 HG3 MET A 87 -2.369 5.704 -7.732 1.00 0.00 H ATOM 1370 HE1 MET A 87 -0.121 5.325 -6.063 1.00 0.00 H ATOM 1371 HE2 MET A 87 -0.360 6.418 -4.678 1.00 0.00 H ATOM 1372 HE3 MET A 87 -1.748 5.551 -5.378 1.00 0.00 H ATOM 1373 N GLY A 88 0.441 7.098 -12.350 1.00 0.00 N ATOM 1374 CA GLY A 88 1.215 6.644 -13.504 1.00 0.00 C ATOM 1375 C GLY A 88 2.376 7.571 -13.799 1.00 0.00 C ATOM 1376 O GLY A 88 2.671 7.859 -14.959 1.00 0.00 O ATOM 1377 H GLY A 88 -0.317 7.781 -12.493 1.00 0.00 H ATOM 1378 HA2 GLY A 88 1.631 5.650 -13.345 1.00 0.00 H ATOM 1379 HA3 GLY A 88 0.605 6.597 -14.406 1.00 0.00 H ATOM 1380 N LEU A 89 3.020 8.047 -12.734 1.00 0.00 N ATOM 1381 CA LEU A 89 4.157 8.969 -12.835 1.00 0.00 C ATOM 1382 C LEU A 89 4.992 8.713 -14.094 1.00 0.00 C ATOM 1383 O LEU A 89 5.546 9.640 -14.684 1.00 0.00 O ATOM 1384 CB LEU A 89 5.052 8.867 -11.580 1.00 0.00 C ATOM 1385 CG LEU A 89 4.308 8.722 -10.226 1.00 0.00 C ATOM 1386 CD1 LEU A 89 3.058 9.601 -10.196 1.00 0.00 C ATOM 1387 CD2 LEU A 89 3.972 7.245 -9.930 1.00 0.00 C ATOM 1388 H LEU A 89 2.705 7.755 -11.798 1.00 0.00 H ATOM 1389 HA LEU A 89 3.836 10.010 -12.873 1.00 0.00 H ATOM 1390 HB2 LEU A 89 5.687 7.988 -11.692 1.00 0.00 H ATOM 1391 HB3 LEU A 89 5.651 9.776 -11.520 1.00 0.00 H ATOM 1392 HG LEU A 89 4.951 9.019 -9.397 1.00 0.00 H ATOM 1393 HD11 LEU A 89 2.385 9.304 -11.000 1.00 0.00 H ATOM 1394 HD12 LEU A 89 2.553 9.483 -9.237 1.00 0.00 H ATOM 1395 HD13 LEU A 89 3.344 10.645 -10.329 1.00 0.00 H ATOM 1396 HD21 LEU A 89 4.893 6.664 -9.884 1.00 0.00 H ATOM 1397 HD22 LEU A 89 3.451 7.175 -8.975 1.00 0.00 H ATOM 1398 HD23 LEU A 89 3.334 6.852 -10.721 1.00 0.00 H ATOM 1399 N HIS A 90 5.074 7.450 -14.494 0.00 0.00 N ATOM 1400 CA HIS A 90 5.839 7.071 -15.677 0.00 0.00 C ATOM 1401 C HIS A 90 5.593 5.610 -16.039 0.00 0.00 C ATOM 1402 O HIS A 90 6.426 5.035 -16.770 0.00 0.00 O ATOM 1403 CB HIS A 90 7.332 7.309 -15.441 0.00 0.00 C ATOM 1404 CG HIS A 90 8.137 7.363 -16.702 0.00 0.00 C ATOM 1405 ND1 HIS A 90 9.284 6.630 -16.913 0.00 0.00 N ATOM 1406 CD2 HIS A 90 7.941 8.085 -17.834 0.00 0.00 C ATOM 1407 CE1 HIS A 90 9.741 6.924 -18.138 0.00 0.00 C ATOM 1408 NE2 HIS A 90 8.961 7.802 -18.739 0.00 0.00 N ATOM 1409 OXT HIS A 90 4.569 5.053 -15.591 0.00 0.00 O ATOM 1410 H HIS A 90 4.587 6.719 -13.955 1.00 0.00 H ATOM 1411 HA HIS A 90 5.522 7.664 -16.535 1.00 0.00 H ATOM 1412 HB2 HIS A 90 7.383 8.224 -14.851 1.00 0.00 H ATOM 1413 HB3 HIS A 90 7.640 6.516 -14.760 1.00 0.00 H ATOM 1414 HD1 HIS A 90 9.715 5.972 -16.247 1.00 0.00 H ATOM 1415 HD2 HIS A 90 7.117 8.777 -18.008 1.00 0.00 H ATOM 1416 HE1 HIS A 90 10.639 6.494 -18.581 1.00 0.00 H TER 1417 HIS A 90