HEADER TRANSFERASE 24-OCT-01 1K8O TITLE SOLUTION STRUCTURE OF THE LIPOIC ACID-BEARING DOMAIN OF THE TITLE 2 E2 COMPONENT OF HUMAN, MITOCHONDRIAL BRANCHED-CHAIN ALPHA- TITLE 3 KETOACID DEHYDROGENASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: E2 COMPONENT OF BRANCHED-CHAIN AHPHA-KETOACID COMPND 3 DEHYDROGENASE; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: LIPOIC ACID-BEARING DOMAIN; COMPND 6 SYNONYM: DIHYDROLIPOAMIDE BRANCHED CHAIN TRANSACYLASE; COMPND 7 EC: 2.3.1.-; COMPND 8 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_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET28B KEYWDS LIPOYL ACID BEARING, HUMAN BCKD, EXPERIMENTAL NMR DATA EXPDTA NMR, 20 STRUCTURES AUTHOR C.-F.CHANG,H.-T.CHOU,J.L.CHUANG,D.T.CHUANG,T.-H.HUANG REVDAT 3 01-APR-03 1K8O 1 JRNL REVDAT 2 04-DEC-02 1K8O 1 REMARK REVDAT 1 14-NOV-01 1K8O 0 JRNL AUTH C.-F.CHANG,H.-T.CHOU,J.L.CHUANG,D.T.CHUANG, JRNL AUTH 2 T.-H.HUANG JRNL TITL SOLUTION STRUCTURE AND DYNAMICS OF THE LIPOIC JRNL TITL 2 ACID-BEARING DOMAIN OF HUMAN MITOCHONDRIAL JRNL TITL 3 BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE JRNL TITL 4 COMPLEX JRNL REF J.BIOL.CHEM. V. 277 15865 2002 JRNL REFN ASTM PRCIEI US ISSN 0961-8368 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA 1.0 REMARK 3 AUTHORS : NILGES ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1K8O 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 (2007-03-17) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ . REMARK 100 THE RCSB ID CODE IS RCSB014698. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310; 310 REMARK 210 PH : 7.5; 7.5 REMARK 210 IONIC STRENGTH : 100MM NACL; 100MM NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM PROTEIN U-15N; 50MM REMARK 210 PHOSPHATE BUFFER, PH7.5, 100MM REMARK 210 NACL, 0.02% (W/V) NAN3; 2MM REMARK 210 PROTEIN U-15N,13C; 50MM REMARK 210 PHOSPHATE BUFFER, PH7.5, 100MM REMARK 210 NACL, 0.02% (W/V) NAN3 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA, REMARK 210 3D_13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE, AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.0, AURELIA 2.0.6, REMARK 210 ARIA 1.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING MOLECULAR DYNAMICS REMARK 210 TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURE WITH THE LOWEST REMARK 210 ENERGY AND ACCEPTABLE COVALENT REMARK 210 GEOMETRY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 1 HIS A 88 REMARK 465 1 HIS A 89 REMARK 465 1 HIS A 90 REMARK 465 1 HIS A 91 REMARK 465 1 HIS A 92 REMARK 465 1 HIS A 93 REMARK 465 2 HIS A 88 REMARK 465 2 HIS A 89 REMARK 465 2 HIS A 90 REMARK 465 2 HIS A 91 REMARK 465 2 HIS A 92 REMARK 465 2 HIS A 93 REMARK 465 3 HIS A 88 REMARK 465 3 HIS A 89 REMARK 465 3 HIS A 90 REMARK 465 3 HIS A 91 REMARK 465 3 HIS A 92 REMARK 465 3 HIS A 93 REMARK 465 4 HIS A 88 REMARK 465 4 HIS A 89 REMARK 465 4 HIS A 90 REMARK 465 4 HIS A 91 REMARK 465 4 HIS A 92 REMARK 465 4 HIS A 93 REMARK 465 5 HIS A 88 REMARK 465 5 HIS A 89 REMARK 465 5 HIS A 90 REMARK 465 5 HIS A 91 REMARK 465 5 HIS A 92 REMARK 465 5 HIS A 93 REMARK 465 6 HIS A 88 REMARK 465 6 HIS A 89 REMARK 465 6 HIS A 90 REMARK 465 6 HIS A 91 REMARK 465 6 HIS A 92 REMARK 465 6 HIS A 93 REMARK 465 7 HIS A 88 REMARK 465 7 HIS A 89 REMARK 465 7 HIS A 90 REMARK 465 7 HIS A 91 REMARK 465 7 HIS A 92 REMARK 465 7 HIS A 93 REMARK 465 8 HIS A 88 REMARK 465 8 HIS A 89 REMARK 465 8 HIS A 90 REMARK 465 8 HIS A 91 REMARK 465 8 HIS A 92 REMARK 465 8 HIS A 93 REMARK 465 9 HIS A 88 REMARK 465 9 HIS A 89 REMARK 465 9 HIS A 90 REMARK 465 9 HIS A 91 REMARK 465 9 HIS A 92 REMARK 465 9 HIS A 93 REMARK 465 10 HIS A 88 REMARK 465 10 HIS A 89 REMARK 465 10 HIS A 90 REMARK 465 10 HIS A 91 REMARK 465 10 HIS A 92 REMARK 465 10 HIS A 93 REMARK 465 11 HIS A 88 REMARK 465 11 HIS A 89 REMARK 465 11 HIS A 90 REMARK 465 11 HIS A 91 REMARK 465 11 HIS A 92 REMARK 465 11 HIS A 93 REMARK 465 12 HIS A 88 REMARK 465 12 HIS A 89 REMARK 465 12 HIS A 90 REMARK 465 12 HIS A 91 REMARK 465 12 HIS A 92 REMARK 465 12 HIS A 93 REMARK 465 13 HIS A 88 REMARK 465 13 HIS A 89 REMARK 465 13 HIS A 90 REMARK 465 13 HIS A 91 REMARK 465 13 HIS A 92 REMARK 465 13 HIS A 93 REMARK 465 14 HIS A 88 REMARK 465 14 HIS A 89 REMARK 465 14 HIS A 90 REMARK 465 14 HIS A 91 REMARK 465 14 HIS A 92 REMARK 465 14 HIS A 93 REMARK 465 15 HIS A 88 REMARK 465 15 HIS A 89 REMARK 465 15 HIS A 90 REMARK 465 15 HIS A 91 REMARK 465 15 HIS A 92 REMARK 465 15 HIS A 93 REMARK 465 16 HIS A 88 REMARK 465 16 HIS A 89 REMARK 465 16 HIS A 90 REMARK 465 16 HIS A 91 REMARK 465 16 HIS A 92 REMARK 465 16 HIS A 93 REMARK 465 17 HIS A 88 REMARK 465 17 HIS A 89 REMARK 465 17 HIS A 90 REMARK 465 17 HIS A 91 REMARK 465 17 HIS A 92 REMARK 465 17 HIS A 93 REMARK 465 18 HIS A 88 REMARK 465 18 HIS A 89 REMARK 465 18 HIS A 90 REMARK 465 18 HIS A 91 REMARK 465 18 HIS A 92 REMARK 465 18 HIS A 93 REMARK 465 19 HIS A 88 REMARK 465 19 HIS A 89 REMARK 465 19 HIS A 90 REMARK 465 19 HIS A 91 REMARK 465 19 HIS A 92 REMARK 465 19 HIS A 93 REMARK 465 20 HIS A 88 REMARK 465 20 HIS A 89 REMARK 465 20 HIS A 90 REMARK 465 20 HIS A 91 REMARK 465 20 HIS A 92 REMARK 465 20 HIS A 93 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 THR A 20 CA THR A 20 CB 0.022 REMARK 500 2 GLU A 87 C GLU A 87 O 0.018 REMARK 500 3 GLU A 87 C GLU A 87 O 0.018 REMARK 500 4 ARG A 53 CA ARG A 53 CB 0.018 REMARK 500 4 GLU A 87 C GLU A 87 O 0.018 REMARK 500 5 ARG A 53 CA ARG A 53 CB 0.019 REMARK 500 6 GLU A 87 C GLU A 87 O 0.018 REMARK 500 7 GLU A 87 C GLU A 87 O 0.018 REMARK 500 8 GLU A 87 C GLU A 87 O 0.019 REMARK 500 9 THR A 20 CA THR A 20 CB 0.024 REMARK 500 9 GLU A 87 C GLU A 87 O 0.018 REMARK 500 10 ARG A 53 CA ARG A 53 CB 0.021 REMARK 500 10 GLU A 87 C GLU A 87 O 0.018 REMARK 500 12 ILE A 12 CA ILE A 12 CB 0.019 REMARK 500 13 ILE A 68 CA ILE A 68 C -0.020 REMARK 500 13 ILE A 68 C ALA A 69 N -0.021 REMARK 500 13 GLU A 87 C GLU A 87 O 0.021 REMARK 500 14 ARG A 53 CA ARG A 53 CB 0.020 REMARK 500 14 GLU A 87 C GLU A 87 O 0.018 REMARK 500 15 GLU A 87 C GLU A 87 O 0.018 REMARK 500 16 GLU A 87 C GLU A 87 O 0.018 REMARK 500 17 GLU A 87 C GLU A 87 O 0.019 REMARK 500 18 ARG A 53 CA ARG A 53 C 0.019 REMARK 500 18 GLU A 87 C GLU A 87 O 0.018 REMARK 500 19 CYS A 39 CA CYS A 39 CB 0.021 REMARK 500 19 GLU A 87 C GLU A 87 O 0.018 REMARK 500 20 ARG A 53 CA ARG A 53 CB 0.019 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 THR A 20 CA - CB - CG2 ANGL. DEV. = 3.8 DEGREES REMARK 500 2 ASP A 11 N - CA - C ANGL. DEV. = 4.4 DEGREES REMARK 500 9 THR A 20 CA - CB - CG2 ANGL. DEV. = 3.7 DEGREES REMARK 500 10 ARG A 17 N - CA - C ANGL. DEV. = -3.3 DEGREES REMARK 500 13 VAL A 5 N - CA - C ANGL. DEV. = -3.2 DEGREES REMARK 500 18 LYS A 84 N - CA - C ANGL. DEV. = 4.1 DEGREES REMARK 500 20 LYS A 84 N - CA - C ANGL. DEV. = 4.1 DEGREES REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1K8M RELATED DB: PDB REMARK 900 1K8M CONTAINS THE AVERAGE STRUCTURE OF THE SAME PROTEIN REMARK 900 RELATED ID: 5078 RELATED DB: BMRB REMARK 900 5078 CONTAINS CHEMICAL SHIFT LISTS EXCLUDING FIRST MET DBREF 1K8O A 2 85 UNP P11182 ODB2_HUMAN 62 145 SEQADV 1K8O MET A 1 UNP P11182 INITIATING MET SEQADV 1K8O LEU A 86 UNP P11182 HIS TAG SEQADV 1K8O GLU A 87 UNP P11182 HIS TAG SEQADV 1K8O HIS A 88 UNP P11182 HIS TAG SEQADV 1K8O HIS A 89 UNP P11182 HIS TAG SEQADV 1K8O HIS A 90 UNP P11182 HIS TAG SEQADV 1K8O HIS A 91 UNP P11182 HIS TAG SEQADV 1K8O HIS A 92 UNP P11182 HIS TAG SEQADV 1K8O HIS A 93 UNP P11182 HIS TAG SEQRES 1 A 93 MET GLY GLN VAL VAL GLN PHE LYS LEU SER ASP ILE GLY SEQRES 2 A 93 GLU GLY ILE ARG GLU VAL THR VAL LYS GLU TRP TYR VAL SEQRES 3 A 93 LYS GLU GLY ASP THR VAL SER GLN PHE ASP SER ILE CYS SEQRES 4 A 93 GLU VAL GLN SER ASP LYS ALA SER VAL THR ILE THR SER SEQRES 5 A 93 ARG TYR ASP GLY VAL ILE LYS LYS LEU TYR TYR ASN LEU SEQRES 6 A 93 ASP ASP ILE ALA TYR VAL GLY LYS PRO LEU VAL ASP ILE SEQRES 7 A 93 GLU THR GLU ALA LEU LYS ASP LEU GLU HIS HIS HIS HIS SEQRES 8 A 93 HIS HIS SHEET 1 A 3 VAL A 5 LYS A 8 0 SHEET 2 A 3 PRO A 74 GLU A 79 -1 O ILE A 78 N VAL A 5 SHEET 3 A 3 VAL A 57 LYS A 60 -1 N VAL A 57 O GLU A 79 SHEET 1 B 4 SER A 47 THR A 49 0 SHEET 2 B 4 CYS A 39 GLN A 42 -1 N VAL A 41 O VAL A 48 SHEET 3 B 4 VAL A 19 TRP A 24 -1 N GLU A 23 O GLU A 40 SHEET 4 B 4 ILE A 68 ALA A 69 -1 O ALA A 69 N VAL A 19 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 -17.893 9.505 -0.261 1.00 5.02 N ATOM 2 CA MET A 1 -18.397 8.476 -1.208 1.00 4.66 C ATOM 3 C MET A 1 -18.125 8.878 -2.654 1.00 4.42 C ATOM 4 O MET A 1 -18.663 9.869 -3.146 1.00 4.63 O ATOM 5 CB MET A 1 -19.900 8.298 -0.981 1.00 4.39 C ATOM 6 CG MET A 1 -20.734 9.477 -1.456 1.00 4.63 C ATOM 7 SD MET A 1 -22.349 9.550 -0.659 1.00 5.44 S ATOM 8 CE MET A 1 -23.288 8.424 -1.688 1.00 5.68 C ATOM 9 HA MET A 1 -17.894 7.544 -1.001 1.00 5.15 H ATOM 10 HB2 MET A 1 -20.229 7.416 -1.510 1.00 4.30 H ATOM 11 HB3 MET A 1 -20.079 8.161 0.075 1.00 4.56 H ATOM 12 HG2 MET A 1 -20.200 10.390 -1.239 1.00 4.52 H ATOM 13 HG3 MET A 1 -20.877 9.392 -2.523 1.00 4.86 H ATOM 14 HE1 MET A 1 -23.092 8.638 -2.728 1.00 5.97 H ATOM 15 HE2 MET A 1 -24.342 8.548 -1.488 1.00 5.83 H ATOM 16 HE3 MET A 1 -22.997 7.408 -1.468 1.00 5.79 H ATOM 17 H1 MET A 1 -18.657 10.164 -0.008 1.00 5.46 H ATOM 18 H2 MET A 1 -17.116 10.042 -0.696 1.00 5.00 H ATOM 19 H3 MET A 1 -17.541 9.050 0.606 1.00 5.27 H ATOM 20 N GLY A 2 -17.285 8.101 -3.330 1.00 4.11 N ATOM 21 CA GLY A 2 -16.954 8.392 -4.712 1.00 4.01 C ATOM 22 C GLY A 2 -15.489 8.739 -4.897 1.00 3.33 C ATOM 23 O GLY A 2 -15.110 9.348 -5.897 1.00 3.34 O ATOM 24 H GLY A 2 -16.885 7.324 -2.885 1.00 4.04 H ATOM 25 HA2 GLY A 2 -17.188 7.528 -5.317 1.00 4.20 H ATOM 26 HA3 GLY A 2 -17.555 9.225 -5.046 1.00 4.35 H ATOM 27 N GLN A 3 -14.663 8.353 -3.928 1.00 2.87 N ATOM 28 CA GLN A 3 -13.228 8.631 -3.985 1.00 2.29 C ATOM 29 C GLN A 3 -12.426 7.463 -3.419 1.00 1.97 C ATOM 30 O GLN A 3 -12.920 6.703 -2.587 1.00 2.17 O ATOM 31 CB GLN A 3 -12.871 9.920 -3.224 1.00 2.41 C ATOM 32 CG GLN A 3 -14.051 10.610 -2.551 1.00 3.17 C ATOM 33 CD GLN A 3 -13.621 11.559 -1.449 1.00 3.60 C ATOM 34 OE1 GLN A 3 -12.516 12.099 -1.476 1.00 3.44 O ATOM 35 NE2 GLN A 3 -14.496 11.766 -0.472 1.00 4.47 N ATOM 36 H GLN A 3 -15.024 7.874 -3.154 1.00 3.03 H ATOM 37 HA GLN A 3 -12.962 8.757 -5.025 1.00 2.19 H ATOM 38 HB2 GLN A 3 -12.146 9.679 -2.461 1.00 2.57 H ATOM 39 HB3 GLN A 3 -12.425 10.617 -3.918 1.00 2.35 H ATOM 40 HG2 GLN A 3 -14.596 11.170 -3.295 1.00 3.54 H ATOM 41 HG3 GLN A 3 -14.696 9.855 -2.125 1.00 3.47 H ATOM 42 HE21 GLN A 3 -15.358 11.302 -0.518 1.00 4.79 H ATOM 43 HE22 GLN A 3 -14.243 12.372 0.255 1.00 4.88 H ATOM 44 N VAL A 4 -11.186 7.327 -3.881 1.00 1.57 N ATOM 45 CA VAL A 4 -10.310 6.253 -3.426 1.00 1.29 C ATOM 46 C VAL A 4 -9.077 6.802 -2.712 1.00 1.28 C ATOM 47 O VAL A 4 -8.563 7.864 -3.062 1.00 1.44 O ATOM 48 CB VAL A 4 -9.846 5.357 -4.595 1.00 1.17 C ATOM 49 CG1 VAL A 4 -11.036 4.727 -5.299 1.00 1.39 C ATOM 50 CG2 VAL A 4 -8.994 6.149 -5.573 1.00 1.57 C ATOM 51 H VAL A 4 -10.852 7.966 -4.545 1.00 1.55 H ATOM 52 HA VAL A 4 -10.869 5.640 -2.734 1.00 1.29 H ATOM 53 HB VAL A 4 -9.238 4.559 -4.191 1.00 1.52 H ATOM 54 HG11 VAL A 4 -10.822 4.632 -6.353 1.00 1.76 H ATOM 55 HG12 VAL A 4 -11.907 5.350 -5.162 1.00 1.87 H ATOM 56 HG13 VAL A 4 -11.223 3.748 -4.880 1.00 1.73 H ATOM 57 HG21 VAL A 4 -8.233 6.689 -5.030 1.00 2.08 H ATOM 58 HG22 VAL A 4 -9.618 6.847 -6.111 1.00 1.76 H ATOM 59 HG23 VAL A 4 -8.526 5.471 -6.271 1.00 2.17 H ATOM 60 N VAL A 5 -8.600 6.056 -1.721 1.00 1.14 N ATOM 61 CA VAL A 5 -7.417 6.440 -0.962 1.00 1.22 C ATOM 62 C VAL A 5 -6.197 5.721 -1.521 1.00 1.03 C ATOM 63 O VAL A 5 -6.247 4.523 -1.801 1.00 0.92 O ATOM 64 CB VAL A 5 -7.561 6.087 0.533 1.00 1.29 C ATOM 65 CG1 VAL A 5 -8.762 6.797 1.139 1.00 1.79 C ATOM 66 CG2 VAL A 5 -7.674 4.578 0.720 1.00 1.70 C ATOM 67 H VAL A 5 -9.050 5.213 -1.503 1.00 1.03 H ATOM 68 HA VAL A 5 -7.279 7.507 -1.057 1.00 1.43 H ATOM 69 HB VAL A 5 -6.675 6.426 1.049 1.00 1.68 H ATOM 70 HG11 VAL A 5 -9.545 6.078 1.332 1.00 2.06 H ATOM 71 HG12 VAL A 5 -9.123 7.546 0.449 1.00 2.34 H ATOM 72 HG13 VAL A 5 -8.472 7.270 2.065 1.00 2.13 H ATOM 73 HG21 VAL A 5 -7.685 4.346 1.775 1.00 2.16 H ATOM 74 HG22 VAL A 5 -6.828 4.090 0.253 1.00 1.92 H ATOM 75 HG23 VAL A 5 -8.588 4.225 0.266 1.00 2.22 H ATOM 76 N GLN A 6 -5.112 6.457 -1.715 1.00 1.03 N ATOM 77 CA GLN A 6 -3.906 5.882 -2.276 1.00 0.85 C ATOM 78 C GLN A 6 -2.829 5.656 -1.221 1.00 0.83 C ATOM 79 O GLN A 6 -2.648 6.465 -0.311 1.00 0.94 O ATOM 80 CB GLN A 6 -3.378 6.795 -3.376 1.00 0.83 C ATOM 81 CG GLN A 6 -4.057 6.580 -4.717 1.00 1.45 C ATOM 82 CD GLN A 6 -4.450 7.885 -5.385 1.00 1.81 C ATOM 83 OE1 GLN A 6 -3.965 8.216 -6.467 1.00 2.26 O ATOM 84 NE2 GLN A 6 -5.330 8.640 -4.736 1.00 2.01 N ATOM 85 H GLN A 6 -5.129 7.412 -1.501 1.00 1.15 H ATOM 86 HA GLN A 6 -4.170 4.933 -2.712 1.00 0.81 H ATOM 87 HB2 GLN A 6 -3.533 7.823 -3.080 1.00 1.07 H ATOM 88 HB3 GLN A 6 -2.325 6.621 -3.495 1.00 1.23 H ATOM 89 HG2 GLN A 6 -3.382 6.044 -5.368 1.00 1.91 H ATOM 90 HG3 GLN A 6 -4.948 5.989 -4.561 1.00 1.91 H ATOM 91 HE21 GLN A 6 -5.670 8.318 -3.875 1.00 1.88 H ATOM 92 HE22 GLN A 6 -5.604 9.486 -5.147 1.00 2.47 H ATOM 93 N PHE A 7 -2.102 4.552 -1.370 1.00 0.74 N ATOM 94 CA PHE A 7 -1.022 4.209 -0.457 1.00 0.78 C ATOM 95 C PHE A 7 0.312 4.614 -1.083 1.00 0.62 C ATOM 96 O PHE A 7 0.573 4.320 -2.252 1.00 0.55 O ATOM 97 CB PHE A 7 -1.057 2.703 -0.138 1.00 0.86 C ATOM 98 CG PHE A 7 0.254 2.133 0.335 1.00 0.97 C ATOM 99 CD1 PHE A 7 0.742 2.430 1.597 1.00 0.98 C ATOM 100 CD2 PHE A 7 0.997 1.307 -0.491 1.00 1.14 C ATOM 101 CE1 PHE A 7 1.949 1.913 2.025 1.00 1.17 C ATOM 102 CE2 PHE A 7 2.203 0.787 -0.069 1.00 1.29 C ATOM 103 CZ PHE A 7 2.681 1.090 1.190 1.00 1.29 C ATOM 104 H PHE A 7 -2.290 3.958 -2.126 1.00 0.69 H ATOM 105 HA PHE A 7 -1.165 4.771 0.455 1.00 0.90 H ATOM 106 HB2 PHE A 7 -1.789 2.525 0.635 1.00 1.00 H ATOM 107 HB3 PHE A 7 -1.350 2.165 -1.028 1.00 0.75 H ATOM 108 HD1 PHE A 7 0.170 3.072 2.250 1.00 0.92 H ATOM 109 HD2 PHE A 7 0.624 1.069 -1.476 1.00 1.21 H ATOM 110 HE1 PHE A 7 2.320 2.152 3.011 1.00 1.26 H ATOM 111 HE2 PHE A 7 2.773 0.145 -0.723 1.00 1.44 H ATOM 112 HZ PHE A 7 3.626 0.685 1.523 1.00 1.45 H ATOM 113 N LYS A 8 1.139 5.307 -0.306 1.00 0.60 N ATOM 114 CA LYS A 8 2.433 5.777 -0.789 1.00 0.54 C ATOM 115 C LYS A 8 3.578 5.306 0.109 1.00 0.68 C ATOM 116 O LYS A 8 3.548 5.497 1.324 1.00 0.77 O ATOM 117 CB LYS A 8 2.421 7.307 -0.865 1.00 0.61 C ATOM 118 CG LYS A 8 3.764 7.929 -1.221 1.00 1.40 C ATOM 119 CD LYS A 8 3.932 9.295 -0.570 1.00 2.22 C ATOM 120 CE LYS A 8 2.736 10.198 -0.839 1.00 1.88 C ATOM 121 NZ LYS A 8 2.977 11.594 -0.380 1.00 2.42 N ATOM 122 H LYS A 8 0.865 5.523 0.610 1.00 0.69 H ATOM 123 HA LYS A 8 2.581 5.380 -1.782 1.00 0.52 H ATOM 124 HB2 LYS A 8 1.702 7.613 -1.611 1.00 0.81 H ATOM 125 HB3 LYS A 8 2.115 7.697 0.095 1.00 0.99 H ATOM 126 HG2 LYS A 8 4.556 7.280 -0.882 1.00 1.64 H ATOM 127 HG3 LYS A 8 3.823 8.042 -2.294 1.00 1.68 H ATOM 128 HD2 LYS A 8 4.037 9.163 0.497 1.00 2.82 H ATOM 129 HD3 LYS A 8 4.822 9.763 -0.965 1.00 2.94 H ATOM 130 HE2 LYS A 8 2.539 10.207 -1.901 1.00 1.74 H ATOM 131 HE3 LYS A 8 1.877 9.800 -0.318 1.00 1.84 H ATOM 132 HZ1 LYS A 8 2.093 12.141 -0.420 1.00 2.60 H ATOM 133 HZ2 LYS A 8 3.683 12.055 -0.987 1.00 2.61 H ATOM 134 HZ3 LYS A 8 3.327 11.593 0.600 1.00 2.96 H ATOM 135 N LEU A 9 4.597 4.710 -0.509 1.00 0.86 N ATOM 136 CA LEU A 9 5.773 4.230 0.216 1.00 1.06 C ATOM 137 C LEU A 9 6.315 5.342 1.113 1.00 1.74 C ATOM 138 O LEU A 9 6.760 6.378 0.624 1.00 2.24 O ATOM 139 CB LEU A 9 6.840 3.776 -0.795 1.00 1.28 C ATOM 140 CG LEU A 9 8.092 3.081 -0.228 1.00 1.38 C ATOM 141 CD1 LEU A 9 8.839 3.986 0.739 1.00 1.75 C ATOM 142 CD2 LEU A 9 7.734 1.762 0.434 1.00 1.96 C ATOM 143 H LEU A 9 4.565 4.603 -1.483 1.00 0.90 H ATOM 144 HA LEU A 9 5.476 3.391 0.828 1.00 1.07 H ATOM 145 HB2 LEU A 9 6.368 3.093 -1.487 1.00 1.38 H ATOM 146 HB3 LEU A 9 7.164 4.645 -1.349 1.00 1.65 H ATOM 147 HG LEU A 9 8.762 2.859 -1.044 1.00 1.91 H ATOM 148 HD11 LEU A 9 9.883 3.710 0.757 1.00 2.23 H ATOM 149 HD12 LEU A 9 8.422 3.880 1.729 1.00 1.93 H ATOM 150 HD13 LEU A 9 8.744 5.013 0.417 1.00 2.33 H ATOM 151 HD21 LEU A 9 8.260 0.959 -0.069 1.00 2.44 H ATOM 152 HD22 LEU A 9 6.669 1.598 0.362 1.00 2.42 H ATOM 153 HD23 LEU A 9 8.028 1.790 1.472 1.00 2.35 H ATOM 154 N SER A 10 6.265 5.131 2.426 1.00 2.11 N ATOM 155 CA SER A 10 6.746 6.134 3.372 1.00 2.83 C ATOM 156 C SER A 10 7.524 5.500 4.524 1.00 2.93 C ATOM 157 O SER A 10 7.759 6.143 5.546 1.00 3.26 O ATOM 158 CB SER A 10 5.571 6.942 3.925 1.00 3.76 C ATOM 159 OG SER A 10 5.768 8.331 3.728 1.00 4.49 O ATOM 160 H SER A 10 5.893 4.289 2.764 1.00 2.10 H ATOM 161 HA SER A 10 7.405 6.801 2.837 1.00 3.17 H ATOM 162 HB2 SER A 10 4.664 6.645 3.421 1.00 4.08 H ATOM 163 HB3 SER A 10 5.473 6.751 4.984 1.00 4.05 H ATOM 164 HG SER A 10 5.529 8.564 2.827 1.00 5.08 H ATOM 165 N ASP A 11 7.922 4.243 4.358 1.00 3.22 N ATOM 166 CA ASP A 11 8.673 3.541 5.393 1.00 3.68 C ATOM 167 C ASP A 11 10.036 4.189 5.623 1.00 3.44 C ATOM 168 O ASP A 11 10.657 3.991 6.667 1.00 4.01 O ATOM 169 CB ASP A 11 8.862 2.072 5.012 1.00 4.18 C ATOM 170 CG ASP A 11 7.558 1.394 4.638 1.00 4.90 C ATOM 171 OD1 ASP A 11 6.737 1.144 5.545 1.00 5.41 O ATOM 172 OD2 ASP A 11 7.359 1.112 3.438 1.00 5.24 O ATOM 173 H ASP A 11 7.709 3.776 3.525 1.00 3.44 H ATOM 174 HA ASP A 11 8.103 3.594 6.308 1.00 4.17 H ATOM 175 HB2 ASP A 11 9.532 2.010 4.168 1.00 4.15 H ATOM 176 HB3 ASP A 11 9.295 1.543 5.849 1.00 4.55 H ATOM 177 N ILE A 12 10.505 4.954 4.639 1.00 2.82 N ATOM 178 CA ILE A 12 11.805 5.613 4.741 1.00 2.70 C ATOM 179 C ILE A 12 11.706 7.101 4.418 1.00 2.96 C ATOM 180 O ILE A 12 10.619 7.626 4.181 1.00 3.29 O ATOM 181 CB ILE A 12 12.857 4.966 3.808 1.00 2.58 C ATOM 182 CG1 ILE A 12 12.194 4.319 2.584 1.00 1.94 C ATOM 183 CG2 ILE A 12 13.678 3.941 4.574 1.00 3.25 C ATOM 184 CD1 ILE A 12 11.460 3.031 2.896 1.00 1.97 C ATOM 185 H ILE A 12 9.973 5.069 3.825 1.00 2.67 H ATOM 186 HA ILE A 12 12.149 5.503 5.759 1.00 2.88 H ATOM 187 HB ILE A 12 13.528 5.742 3.472 1.00 2.84 H ATOM 188 HG12 ILE A 12 11.480 5.011 2.162 1.00 1.97 H ATOM 189 HG13 ILE A 12 12.952 4.099 1.847 1.00 2.12 H ATOM 190 HG21 ILE A 12 14.222 4.435 5.365 1.00 3.67 H ATOM 191 HG22 ILE A 12 14.375 3.463 3.902 1.00 3.70 H ATOM 192 HG23 ILE A 12 13.020 3.198 4.999 1.00 3.35 H ATOM 193 HD11 ILE A 12 11.455 2.870 3.964 1.00 2.26 H ATOM 194 HD12 ILE A 12 11.959 2.206 2.410 1.00 2.10 H ATOM 195 HD13 ILE A 12 10.443 3.098 2.537 1.00 2.27 H ATOM 196 N GLY A 13 12.855 7.773 4.416 1.00 3.15 N ATOM 197 CA GLY A 13 12.890 9.195 4.127 1.00 3.67 C ATOM 198 C GLY A 13 12.637 9.501 2.664 1.00 3.84 C ATOM 199 O GLY A 13 12.577 8.594 1.833 1.00 3.63 O ATOM 200 H GLY A 13 13.688 7.298 4.616 1.00 3.11 H ATOM 201 HA2 GLY A 13 12.137 9.691 4.722 1.00 3.95 H ATOM 202 HA3 GLY A 13 13.860 9.582 4.401 1.00 3.98 H ATOM 203 N GLU A 14 12.482 10.784 2.351 1.00 4.49 N ATOM 204 CA GLU A 14 12.226 11.216 0.980 1.00 4.81 C ATOM 205 C GLU A 14 13.526 11.509 0.232 1.00 4.15 C ATOM 206 O GLU A 14 13.533 12.268 -0.738 1.00 4.04 O ATOM 207 CB GLU A 14 11.338 12.459 0.979 1.00 5.76 C ATOM 208 CG GLU A 14 10.276 12.443 -0.106 1.00 6.16 C ATOM 209 CD GLU A 14 8.974 13.079 0.343 1.00 7.04 C ATOM 210 OE1 GLU A 14 8.159 12.378 0.979 1.00 7.20 O ATOM 211 OE2 GLU A 14 8.771 14.277 0.058 1.00 7.72 O ATOM 212 H GLU A 14 12.537 11.458 3.061 1.00 4.89 H ATOM 213 HA GLU A 14 11.708 10.416 0.474 1.00 5.04 H ATOM 214 HB2 GLU A 14 10.844 12.536 1.937 1.00 6.19 H ATOM 215 HB3 GLU A 14 11.958 13.330 0.833 1.00 6.09 H ATOM 216 HG2 GLU A 14 10.647 12.985 -0.963 1.00 6.23 H ATOM 217 HG3 GLU A 14 10.081 11.418 -0.386 1.00 6.02 H ATOM 218 N GLY A 15 14.622 10.908 0.681 1.00 3.81 N ATOM 219 CA GLY A 15 15.903 11.124 0.034 1.00 3.32 C ATOM 220 C GLY A 15 16.930 10.082 0.429 1.00 2.93 C ATOM 221 O GLY A 15 18.132 10.348 0.415 1.00 3.13 O ATOM 222 H GLY A 15 14.563 10.313 1.456 1.00 3.98 H ATOM 223 HA2 GLY A 15 15.764 11.090 -1.037 1.00 3.40 H ATOM 224 HA3 GLY A 15 16.272 12.100 0.308 1.00 3.32 H ATOM 225 N ILE A 16 16.455 8.895 0.789 1.00 2.53 N ATOM 226 CA ILE A 16 17.336 7.811 1.197 1.00 2.22 C ATOM 227 C ILE A 16 16.974 6.510 0.483 1.00 1.91 C ATOM 228 O ILE A 16 16.185 6.510 -0.463 1.00 1.88 O ATOM 229 CB ILE A 16 17.270 7.595 2.721 1.00 2.22 C ATOM 230 CG1 ILE A 16 15.896 7.053 3.125 1.00 2.32 C ATOM 231 CG2 ILE A 16 17.567 8.897 3.450 1.00 2.54 C ATOM 232 CD1 ILE A 16 15.957 5.696 3.792 1.00 2.22 C ATOM 233 H ILE A 16 15.489 8.744 0.785 1.00 2.55 H ATOM 234 HA ILE A 16 18.348 8.086 0.935 1.00 2.37 H ATOM 235 HB ILE A 16 18.027 6.880 2.994 1.00 2.23 H ATOM 236 HG12 ILE A 16 15.431 7.741 3.814 1.00 2.69 H ATOM 237 HG13 ILE A 16 15.279 6.961 2.241 1.00 2.79 H ATOM 238 HG21 ILE A 16 17.239 9.731 2.846 1.00 2.77 H ATOM 239 HG22 ILE A 16 18.630 8.977 3.624 1.00 2.79 H ATOM 240 HG23 ILE A 16 17.045 8.909 4.395 1.00 2.63 H ATOM 241 HD11 ILE A 16 16.986 5.378 3.865 1.00 2.44 H ATOM 242 HD12 ILE A 16 15.400 4.982 3.204 1.00 2.19 H ATOM 243 HD13 ILE A 16 15.528 5.761 4.780 1.00 2.77 H ATOM 244 N ARG A 17 17.551 5.404 0.943 1.00 1.82 N ATOM 245 CA ARG A 17 17.286 4.101 0.349 1.00 1.64 C ATOM 246 C ARG A 17 15.786 3.826 0.284 1.00 1.22 C ATOM 247 O ARG A 17 15.023 4.279 1.137 1.00 1.14 O ATOM 248 CB ARG A 17 17.990 2.998 1.147 1.00 1.77 C ATOM 249 CG ARG A 17 17.323 2.678 2.476 1.00 2.27 C ATOM 250 CD ARG A 17 18.287 1.998 3.434 1.00 2.75 C ATOM 251 NE ARG A 17 17.665 0.876 4.133 1.00 3.16 N ATOM 252 CZ ARG A 17 17.391 -0.290 3.558 1.00 3.76 C ATOM 253 NH1 ARG A 17 17.676 -0.484 2.277 1.00 4.04 N ATOM 254 NH2 ARG A 17 16.829 -1.263 4.262 1.00 4.40 N ATOM 255 H ARG A 17 18.170 5.466 1.700 1.00 1.98 H ATOM 256 HA ARG A 17 17.680 4.110 -0.656 1.00 1.86 H ATOM 257 HB2 ARG A 17 18.009 2.097 0.553 1.00 2.15 H ATOM 258 HB3 ARG A 17 19.006 3.308 1.344 1.00 1.93 H ATOM 259 HG2 ARG A 17 16.976 3.597 2.924 1.00 2.48 H ATOM 260 HG3 ARG A 17 16.483 2.023 2.298 1.00 2.80 H ATOM 261 HD2 ARG A 17 19.134 1.634 2.873 1.00 3.11 H ATOM 262 HD3 ARG A 17 18.622 2.723 4.161 1.00 3.05 H ATOM 263 HE ARG A 17 17.443 0.999 5.080 1.00 3.30 H ATOM 264 HH11 ARG A 17 18.098 0.247 1.743 1.00 3.94 H ATOM 265 HH12 ARG A 17 17.470 -1.363 1.847 1.00 4.59 H ATOM 266 HH21 ARG A 17 16.611 -1.120 5.228 1.00 4.58 H ATOM 267 HH22 ARG A 17 16.623 -2.141 3.828 1.00 4.87 H ATOM 268 N GLU A 18 15.373 3.081 -0.735 1.00 1.16 N ATOM 269 CA GLU A 18 13.968 2.741 -0.921 1.00 0.91 C ATOM 270 C GLU A 18 13.693 1.318 -0.438 1.00 0.63 C ATOM 271 O GLU A 18 14.620 0.600 -0.065 1.00 0.66 O ATOM 272 CB GLU A 18 13.587 2.904 -2.389 1.00 1.29 C ATOM 273 CG GLU A 18 13.641 4.348 -2.864 1.00 1.64 C ATOM 274 CD GLU A 18 14.610 4.552 -4.013 1.00 1.83 C ATOM 275 OE1 GLU A 18 15.828 4.645 -3.753 1.00 2.17 O ATOM 276 OE2 GLU A 18 14.150 4.621 -5.173 1.00 2.11 O ATOM 277 H GLU A 18 16.032 2.751 -1.381 1.00 1.43 H ATOM 278 HA GLU A 18 13.381 3.427 -0.327 1.00 0.90 H ATOM 279 HB2 GLU A 18 14.268 2.322 -2.993 1.00 1.46 H ATOM 280 HB3 GLU A 18 12.584 2.534 -2.535 1.00 1.31 H ATOM 281 HG2 GLU A 18 12.656 4.644 -3.188 1.00 1.98 H ATOM 282 HG3 GLU A 18 13.950 4.973 -2.037 1.00 1.85 H ATOM 283 N VAL A 19 12.422 0.912 -0.423 1.00 0.63 N ATOM 284 CA VAL A 19 12.078 -0.432 0.049 1.00 0.57 C ATOM 285 C VAL A 19 11.105 -1.151 -0.881 1.00 0.41 C ATOM 286 O VAL A 19 10.254 -0.530 -1.516 1.00 0.47 O ATOM 287 CB VAL A 19 11.478 -0.396 1.467 1.00 0.93 C ATOM 288 CG1 VAL A 19 10.134 0.312 1.465 1.00 1.51 C ATOM 289 CG2 VAL A 19 11.345 -1.806 2.022 1.00 1.16 C ATOM 290 H VAL A 19 11.709 1.524 -0.721 1.00 0.86 H ATOM 291 HA VAL A 19 12.992 -1.004 0.094 1.00 0.61 H ATOM 292 HB VAL A 19 12.150 0.157 2.107 1.00 1.31 H ATOM 293 HG11 VAL A 19 9.344 -0.416 1.355 1.00 2.03 H ATOM 294 HG12 VAL A 19 10.097 1.012 0.644 1.00 1.88 H ATOM 295 HG13 VAL A 19 10.005 0.843 2.397 1.00 1.97 H ATOM 296 HG21 VAL A 19 12.062 -2.452 1.539 1.00 1.42 H ATOM 297 HG22 VAL A 19 10.347 -2.173 1.836 1.00 1.70 H ATOM 298 HG23 VAL A 19 11.532 -1.793 3.086 1.00 1.47 H ATOM 299 N THR A 20 11.239 -2.476 -0.942 1.00 0.37 N ATOM 300 CA THR A 20 10.380 -3.303 -1.781 1.00 0.30 C ATOM 301 C THR A 20 9.310 -3.990 -0.945 1.00 0.33 C ATOM 302 O THR A 20 9.393 -4.043 0.282 1.00 0.65 O ATOM 303 CB THR A 20 11.223 -4.341 -2.589 1.00 0.43 C ATOM 304 OG1 THR A 20 11.483 -3.827 -3.889 1.00 0.69 O ATOM 305 CG2 THR A 20 10.552 -5.704 -2.754 1.00 0.54 C ATOM 306 H THR A 20 11.935 -2.909 -0.403 1.00 0.50 H ATOM 307 HA THR A 20 9.886 -2.653 -2.482 1.00 0.36 H ATOM 308 HB THR A 20 12.165 -4.484 -2.080 1.00 0.46 H ATOM 309 HG1 THR A 20 11.901 -4.506 -4.423 1.00 0.68 H ATOM 310 HG21 THR A 20 10.244 -6.075 -1.788 1.00 1.14 H ATOM 311 HG22 THR A 20 11.256 -6.392 -3.197 1.00 0.91 H ATOM 312 HG23 THR A 20 9.689 -5.607 -3.399 1.00 0.99 H ATOM 313 N VAL A 21 8.309 -4.516 -1.632 1.00 0.28 N ATOM 314 CA VAL A 21 7.215 -5.208 -0.966 1.00 0.25 C ATOM 315 C VAL A 21 7.619 -6.629 -0.589 1.00 0.29 C ATOM 316 O VAL A 21 8.258 -7.332 -1.371 1.00 0.33 O ATOM 317 CB VAL A 21 5.957 -5.255 -1.850 1.00 0.29 C ATOM 318 CG1 VAL A 21 4.814 -5.936 -1.114 1.00 1.39 C ATOM 319 CG2 VAL A 21 5.564 -3.852 -2.285 1.00 1.21 C ATOM 320 H VAL A 21 8.309 -4.438 -2.614 1.00 0.52 H ATOM 321 HA VAL A 21 6.976 -4.663 -0.064 1.00 0.31 H ATOM 322 HB VAL A 21 6.183 -5.834 -2.734 1.00 1.24 H ATOM 323 HG11 VAL A 21 4.834 -6.996 -1.319 1.00 1.96 H ATOM 324 HG12 VAL A 21 3.874 -5.522 -1.449 1.00 2.07 H ATOM 325 HG13 VAL A 21 4.921 -5.772 -0.052 1.00 1.88 H ATOM 326 HG21 VAL A 21 4.491 -3.742 -2.223 1.00 1.74 H ATOM 327 HG22 VAL A 21 5.883 -3.687 -3.304 1.00 1.69 H ATOM 328 HG23 VAL A 21 6.038 -3.129 -1.638 1.00 1.94 H ATOM 329 N LYS A 22 7.254 -7.043 0.619 1.00 0.36 N ATOM 330 CA LYS A 22 7.588 -8.377 1.099 1.00 0.46 C ATOM 331 C LYS A 22 6.360 -9.282 1.105 1.00 0.52 C ATOM 332 O LYS A 22 6.479 -10.503 1.005 1.00 0.66 O ATOM 333 CB LYS A 22 8.188 -8.300 2.504 1.00 0.52 C ATOM 334 CG LYS A 22 9.337 -9.270 2.730 1.00 0.78 C ATOM 335 CD LYS A 22 9.065 -10.191 3.908 1.00 1.48 C ATOM 336 CE LYS A 22 9.296 -11.649 3.540 1.00 2.16 C ATOM 337 NZ LYS A 22 10.746 -11.971 3.431 1.00 2.95 N ATOM 338 H LYS A 22 6.752 -6.435 1.202 1.00 0.39 H ATOM 339 HA LYS A 22 8.323 -8.795 0.428 1.00 0.51 H ATOM 340 HB2 LYS A 22 8.555 -7.297 2.671 1.00 0.64 H ATOM 341 HB3 LYS A 22 7.415 -8.515 3.226 1.00 0.52 H ATOM 342 HG2 LYS A 22 9.470 -9.870 1.842 1.00 1.18 H ATOM 343 HG3 LYS A 22 10.238 -8.708 2.926 1.00 1.29 H ATOM 344 HD2 LYS A 22 9.726 -9.926 4.720 1.00 2.11 H ATOM 345 HD3 LYS A 22 8.039 -10.066 4.222 1.00 1.89 H ATOM 346 HE2 LYS A 22 8.854 -12.273 4.303 1.00 2.45 H ATOM 347 HE3 LYS A 22 8.818 -11.848 2.592 1.00 2.59 H ATOM 348 HZ1 LYS A 22 11.210 -11.314 2.771 1.00 3.58 H ATOM 349 HZ2 LYS A 22 10.872 -12.942 3.080 1.00 2.93 H ATOM 350 HZ3 LYS A 22 11.202 -11.890 4.362 1.00 3.41 H ATOM 351 N GLU A 23 5.181 -8.679 1.223 1.00 0.46 N ATOM 352 CA GLU A 23 3.936 -9.439 1.241 1.00 0.56 C ATOM 353 C GLU A 23 2.839 -8.730 0.448 1.00 0.42 C ATOM 354 O GLU A 23 2.468 -7.598 0.755 1.00 0.42 O ATOM 355 CB GLU A 23 3.475 -9.667 2.683 1.00 0.73 C ATOM 356 CG GLU A 23 3.265 -11.132 3.030 1.00 1.09 C ATOM 357 CD GLU A 23 4.334 -11.669 3.962 1.00 1.33 C ATOM 358 OE1 GLU A 23 4.591 -11.028 5.002 1.00 1.63 O ATOM 359 OE2 GLU A 23 4.914 -12.731 3.651 1.00 2.13 O ATOM 360 H GLU A 23 5.147 -7.703 1.300 1.00 0.40 H ATOM 361 HA GLU A 23 4.129 -10.397 0.782 1.00 0.67 H ATOM 362 HB2 GLU A 23 4.219 -9.263 3.354 1.00 1.08 H ATOM 363 HB3 GLU A 23 2.542 -9.145 2.837 1.00 0.81 H ATOM 364 HG2 GLU A 23 2.304 -11.241 3.509 1.00 1.48 H ATOM 365 HG3 GLU A 23 3.279 -11.710 2.117 1.00 1.92 H ATOM 366 N TRP A 24 2.321 -9.413 -0.569 1.00 0.35 N ATOM 367 CA TRP A 24 1.259 -8.864 -1.408 1.00 0.26 C ATOM 368 C TRP A 24 0.045 -9.788 -1.392 1.00 0.24 C ATOM 369 O TRP A 24 0.154 -10.969 -1.719 1.00 0.33 O ATOM 370 CB TRP A 24 1.754 -8.684 -2.845 1.00 0.37 C ATOM 371 CG TRP A 24 2.217 -7.293 -3.156 1.00 0.43 C ATOM 372 CD1 TRP A 24 3.478 -6.918 -3.515 1.00 0.75 C ATOM 373 CD2 TRP A 24 1.431 -6.095 -3.138 1.00 0.36 C ATOM 374 NE1 TRP A 24 3.525 -5.562 -3.727 1.00 0.74 N ATOM 375 CE2 TRP A 24 2.282 -5.033 -3.501 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.090 -5.815 -2.855 1.00 0.61 C ATOM 377 CZ2 TRP A 24 1.837 -3.716 -3.585 1.00 0.52 C ATOM 378 CZ3 TRP A 24 -0.349 -4.507 -2.939 1.00 0.83 C ATOM 379 CH2 TRP A 24 0.522 -3.472 -3.302 1.00 0.70 C ATOM 380 H TRP A 24 2.656 -10.314 -0.758 1.00 0.40 H ATOM 381 HA TRP A 24 0.975 -7.903 -1.006 1.00 0.24 H ATOM 382 HB2 TRP A 24 2.582 -9.354 -3.016 1.00 0.49 H ATOM 383 HB3 TRP A 24 0.953 -8.930 -3.528 1.00 0.41 H ATOM 384 HD1 TRP A 24 4.308 -7.600 -3.616 1.00 1.03 H ATOM 385 HE1 TRP A 24 4.320 -5.055 -3.995 1.00 0.97 H ATOM 386 HE3 TRP A 24 -0.597 -6.600 -2.574 1.00 0.75 H ATOM 387 HZ2 TRP A 24 2.496 -2.907 -3.865 1.00 0.61 H ATOM 388 HZ3 TRP A 24 -1.381 -4.272 -2.723 1.00 1.14 H ATOM 389 HH2 TRP A 24 0.136 -2.465 -3.355 1.00 0.89 H ATOM 390 N TYR A 25 -1.109 -9.253 -1.002 1.00 0.20 N ATOM 391 CA TYR A 25 -2.327 -10.054 -0.943 1.00 0.31 C ATOM 392 C TYR A 25 -3.487 -9.360 -1.653 1.00 0.27 C ATOM 393 O TYR A 25 -4.625 -9.395 -1.183 1.00 0.36 O ATOM 394 CB TYR A 25 -2.696 -10.341 0.514 1.00 0.42 C ATOM 395 CG TYR A 25 -2.307 -11.729 0.973 1.00 0.70 C ATOM 396 CD1 TYR A 25 -1.005 -12.013 1.367 1.00 1.07 C ATOM 397 CD2 TYR A 25 -3.242 -12.757 1.012 1.00 1.16 C ATOM 398 CE1 TYR A 25 -0.646 -13.280 1.785 1.00 1.34 C ATOM 399 CE2 TYR A 25 -2.890 -14.027 1.429 1.00 1.44 C ATOM 400 CZ TYR A 25 -1.591 -14.283 1.815 1.00 1.36 C ATOM 401 OH TYR A 25 -1.237 -15.546 2.231 1.00 1.72 O ATOM 402 H TYR A 25 -1.140 -8.307 -0.744 1.00 0.17 H ATOM 403 HA TYR A 25 -2.128 -10.990 -1.442 1.00 0.43 H ATOM 404 HB2 TYR A 25 -2.195 -9.629 1.152 1.00 0.49 H ATOM 405 HB3 TYR A 25 -3.764 -10.237 0.636 1.00 0.48 H ATOM 406 HD1 TYR A 25 -0.266 -11.225 1.343 1.00 1.41 H ATOM 407 HD2 TYR A 25 -4.259 -12.553 0.709 1.00 1.53 H ATOM 408 HE1 TYR A 25 0.372 -13.480 2.087 1.00 1.77 H ATOM 409 HE2 TYR A 25 -3.631 -14.812 1.452 1.00 1.92 H ATOM 410 HH TYR A 25 -0.760 -15.994 1.528 1.00 1.68 H ATOM 411 N VAL A 26 -3.194 -8.733 -2.788 1.00 0.22 N ATOM 412 CA VAL A 26 -4.217 -8.036 -3.559 1.00 0.22 C ATOM 413 C VAL A 26 -3.805 -7.906 -5.026 1.00 0.22 C ATOM 414 O VAL A 26 -2.656 -8.168 -5.381 1.00 0.31 O ATOM 415 CB VAL A 26 -4.497 -6.635 -2.972 1.00 0.28 C ATOM 416 CG1 VAL A 26 -4.782 -6.733 -1.484 1.00 0.50 C ATOM 417 CG2 VAL A 26 -3.328 -5.691 -3.232 1.00 0.40 C ATOM 418 H VAL A 26 -2.270 -8.740 -3.114 1.00 0.24 H ATOM 419 HA VAL A 26 -5.128 -8.614 -3.503 1.00 0.25 H ATOM 420 HB VAL A 26 -5.377 -6.230 -3.451 1.00 0.22 H ATOM 421 HG11 VAL A 26 -5.069 -5.764 -1.113 1.00 1.41 H ATOM 422 HG12 VAL A 26 -3.896 -7.067 -0.968 1.00 0.95 H ATOM 423 HG13 VAL A 26 -5.585 -7.436 -1.316 1.00 0.88 H ATOM 424 HG21 VAL A 26 -3.641 -4.905 -3.903 1.00 1.14 H ATOM 425 HG22 VAL A 26 -2.513 -6.241 -3.679 1.00 0.94 H ATOM 426 HG23 VAL A 26 -3.001 -5.258 -2.298 1.00 1.08 H ATOM 427 N LYS A 27 -4.748 -7.501 -5.872 1.00 0.24 N ATOM 428 CA LYS A 27 -4.474 -7.339 -7.296 1.00 0.26 C ATOM 429 C LYS A 27 -5.317 -6.218 -7.891 1.00 0.29 C ATOM 430 O LYS A 27 -6.351 -5.842 -7.337 1.00 0.42 O ATOM 431 CB LYS A 27 -4.742 -8.647 -8.045 1.00 0.38 C ATOM 432 CG LYS A 27 -3.604 -9.650 -7.943 1.00 0.61 C ATOM 433 CD LYS A 27 -3.019 -9.969 -9.310 1.00 0.99 C ATOM 434 CE LYS A 27 -1.513 -10.161 -9.237 1.00 1.52 C ATOM 435 NZ LYS A 27 -1.139 -11.600 -9.151 1.00 1.89 N ATOM 436 H LYS A 27 -5.646 -7.306 -5.531 1.00 0.31 H ATOM 437 HA LYS A 27 -3.431 -7.082 -7.404 1.00 0.28 H ATOM 438 HB2 LYS A 27 -5.634 -9.104 -7.642 1.00 0.45 H ATOM 439 HB3 LYS A 27 -4.903 -8.424 -9.090 1.00 0.61 H ATOM 440 HG2 LYS A 27 -2.827 -9.235 -7.319 1.00 1.19 H ATOM 441 HG3 LYS A 27 -3.978 -10.561 -7.500 1.00 1.30 H ATOM 442 HD2 LYS A 27 -3.470 -10.877 -9.681 1.00 1.46 H ATOM 443 HD3 LYS A 27 -3.237 -9.154 -9.984 1.00 1.41 H ATOM 444 HE2 LYS A 27 -1.065 -9.735 -10.122 1.00 2.01 H ATOM 445 HE3 LYS A 27 -1.140 -9.647 -8.363 1.00 1.94 H ATOM 446 HZ1 LYS A 27 -1.995 -12.189 -9.109 1.00 2.32 H ATOM 447 HZ2 LYS A 27 -0.571 -11.771 -8.297 1.00 2.24 H ATOM 448 HZ3 LYS A 27 -0.582 -11.875 -9.985 1.00 2.11 H ATOM 449 N GLU A 28 -4.871 -5.688 -9.026 1.00 0.30 N ATOM 450 CA GLU A 28 -5.590 -4.611 -9.700 1.00 0.34 C ATOM 451 C GLU A 28 -7.048 -5.000 -9.905 1.00 0.38 C ATOM 452 O GLU A 28 -7.345 -6.124 -10.312 1.00 0.42 O ATOM 453 CB GLU A 28 -4.940 -4.289 -11.049 1.00 0.42 C ATOM 454 CG GLU A 28 -3.420 -4.338 -11.029 1.00 0.35 C ATOM 455 CD GLU A 28 -2.797 -3.609 -12.204 1.00 1.10 C ATOM 456 OE1 GLU A 28 -3.268 -2.500 -12.532 1.00 1.23 O ATOM 457 OE2 GLU A 28 -1.837 -4.147 -12.795 1.00 2.03 O ATOM 458 H GLU A 28 -4.044 -6.033 -9.420 1.00 0.36 H ATOM 459 HA GLU A 28 -5.548 -3.737 -9.066 1.00 0.33 H ATOM 460 HB2 GLU A 28 -5.291 -5.000 -11.782 1.00 0.51 H ATOM 461 HB3 GLU A 28 -5.240 -3.298 -11.352 1.00 0.51 H ATOM 462 HG2 GLU A 28 -3.069 -3.882 -10.115 1.00 0.82 H ATOM 463 HG3 GLU A 28 -3.105 -5.371 -11.057 1.00 0.97 H ATOM 464 N GLY A 29 -7.958 -4.077 -9.608 1.00 0.39 N ATOM 465 CA GLY A 29 -9.370 -4.373 -9.758 1.00 0.45 C ATOM 466 C GLY A 29 -9.881 -5.325 -8.686 1.00 0.40 C ATOM 467 O GLY A 29 -11.037 -5.746 -8.724 1.00 0.44 O ATOM 468 H GLY A 29 -7.671 -3.202 -9.275 1.00 0.39 H ATOM 469 HA2 GLY A 29 -9.928 -3.450 -9.699 1.00 0.47 H ATOM 470 HA3 GLY A 29 -9.533 -4.819 -10.727 1.00 0.52 H ATOM 471 N ASP A 30 -9.010 -5.682 -7.740 1.00 0.34 N ATOM 472 CA ASP A 30 -9.369 -6.606 -6.671 1.00 0.31 C ATOM 473 C ASP A 30 -9.799 -5.862 -5.415 1.00 0.25 C ATOM 474 O ASP A 30 -9.394 -4.722 -5.185 1.00 0.24 O ATOM 475 CB ASP A 30 -8.186 -7.520 -6.344 1.00 0.31 C ATOM 476 CG ASP A 30 -8.626 -8.891 -5.868 1.00 0.91 C ATOM 477 OD1 ASP A 30 -9.847 -9.103 -5.716 1.00 1.27 O ATOM 478 OD2 ASP A 30 -7.748 -9.752 -5.647 1.00 1.36 O ATOM 479 H ASP A 30 -8.103 -5.317 -7.762 1.00 0.32 H ATOM 480 HA ASP A 30 -10.194 -7.210 -7.017 1.00 0.36 H ATOM 481 HB2 ASP A 30 -7.580 -7.645 -7.229 1.00 0.59 H ATOM 482 HB3 ASP A 30 -7.592 -7.063 -5.566 1.00 0.51 H ATOM 483 N THR A 31 -10.619 -6.518 -4.603 1.00 0.23 N ATOM 484 CA THR A 31 -11.100 -5.923 -3.367 1.00 0.18 C ATOM 485 C THR A 31 -10.322 -6.443 -2.164 1.00 0.18 C ATOM 486 O THR A 31 -9.878 -7.591 -2.141 1.00 0.30 O ATOM 487 CB THR A 31 -12.599 -6.198 -3.149 1.00 0.19 C ATOM 488 OG1 THR A 31 -13.324 -5.972 -4.365 1.00 0.31 O ATOM 489 CG2 THR A 31 -13.149 -5.303 -2.050 1.00 0.30 C ATOM 490 H THR A 31 -10.904 -7.426 -4.840 1.00 0.26 H ATOM 491 HA THR A 31 -10.960 -4.854 -3.438 1.00 0.19 H ATOM 492 HB THR A 31 -12.722 -7.228 -2.850 1.00 0.23 H ATOM 493 HG1 THR A 31 -14.264 -6.073 -4.201 1.00 0.85 H ATOM 494 HG21 THR A 31 -13.307 -4.308 -2.441 1.00 0.99 H ATOM 495 HG22 THR A 31 -12.441 -5.259 -1.234 1.00 0.98 H ATOM 496 HG23 THR A 31 -14.087 -5.703 -1.693 1.00 1.08 H ATOM 497 N VAL A 32 -10.168 -5.583 -1.166 1.00 0.14 N ATOM 498 CA VAL A 32 -9.454 -5.924 0.058 1.00 0.14 C ATOM 499 C VAL A 32 -10.435 -6.124 1.207 1.00 0.14 C ATOM 500 O VAL A 32 -11.602 -5.748 1.106 1.00 0.18 O ATOM 501 CB VAL A 32 -8.426 -4.836 0.466 1.00 0.20 C ATOM 502 CG1 VAL A 32 -7.013 -5.343 0.265 1.00 0.28 C ATOM 503 CG2 VAL A 32 -8.635 -3.532 -0.298 1.00 0.18 C ATOM 504 H VAL A 32 -10.551 -4.692 -1.253 1.00 0.20 H ATOM 505 HA VAL A 32 -8.922 -6.849 -0.113 1.00 0.19 H ATOM 506 HB VAL A 32 -8.555 -4.630 1.516 1.00 0.31 H ATOM 507 HG11 VAL A 32 -6.491 -4.681 -0.409 1.00 1.08 H ATOM 508 HG12 VAL A 32 -7.044 -6.336 -0.157 1.00 1.00 H ATOM 509 HG13 VAL A 32 -6.500 -5.369 1.214 1.00 0.98 H ATOM 510 HG21 VAL A 32 -8.603 -3.728 -1.359 1.00 0.96 H ATOM 511 HG22 VAL A 32 -7.853 -2.834 -0.038 1.00 0.97 H ATOM 512 HG23 VAL A 32 -9.594 -3.110 -0.037 1.00 0.99 H ATOM 513 N SER A 33 -9.952 -6.714 2.298 1.00 0.23 N ATOM 514 CA SER A 33 -10.785 -6.963 3.470 1.00 0.31 C ATOM 515 C SER A 33 -10.074 -6.523 4.747 1.00 0.33 C ATOM 516 O SER A 33 -8.923 -6.089 4.710 1.00 0.35 O ATOM 517 CB SER A 33 -11.141 -8.448 3.561 1.00 0.38 C ATOM 518 OG SER A 33 -12.371 -8.718 2.912 1.00 1.42 O ATOM 519 H SER A 33 -9.011 -6.986 2.316 1.00 0.29 H ATOM 520 HA SER A 33 -11.693 -6.390 3.361 1.00 0.35 H ATOM 521 HB2 SER A 33 -10.364 -9.032 3.090 1.00 0.91 H ATOM 522 HB3 SER A 33 -11.225 -8.733 4.600 1.00 1.08 H ATOM 523 HG SER A 33 -12.402 -9.643 2.656 1.00 1.60 H ATOM 524 N GLN A 34 -10.768 -6.637 5.875 1.00 0.37 N ATOM 525 CA GLN A 34 -10.203 -6.250 7.163 1.00 0.41 C ATOM 526 C GLN A 34 -9.027 -7.147 7.535 1.00 0.43 C ATOM 527 O GLN A 34 -8.113 -6.725 8.244 1.00 0.52 O ATOM 528 CB GLN A 34 -11.274 -6.316 8.253 1.00 0.44 C ATOM 529 CG GLN A 34 -12.361 -5.264 8.101 1.00 0.76 C ATOM 530 CD GLN A 34 -13.738 -5.793 8.452 1.00 1.54 C ATOM 531 OE1 GLN A 34 -14.210 -5.630 9.577 1.00 2.38 O ATOM 532 NE2 GLN A 34 -14.390 -6.432 7.487 1.00 1.72 N ATOM 533 H GLN A 34 -11.682 -6.989 5.841 1.00 0.40 H ATOM 534 HA GLN A 34 -9.852 -5.233 7.078 1.00 0.43 H ATOM 535 HB2 GLN A 34 -11.740 -7.290 8.227 1.00 0.87 H ATOM 536 HB3 GLN A 34 -10.802 -6.178 9.215 1.00 0.76 H ATOM 537 HG2 GLN A 34 -12.135 -4.433 8.752 1.00 1.01 H ATOM 538 HG3 GLN A 34 -12.373 -4.924 7.076 1.00 1.06 H ATOM 539 HE21 GLN A 34 -13.951 -6.526 6.616 1.00 1.71 H ATOM 540 HE22 GLN A 34 -15.283 -6.783 7.686 1.00 2.22 H ATOM 541 N PHE A 35 -9.056 -8.385 7.053 1.00 0.43 N ATOM 542 CA PHE A 35 -7.991 -9.340 7.335 1.00 0.48 C ATOM 543 C PHE A 35 -7.046 -9.486 6.143 1.00 0.43 C ATOM 544 O PHE A 35 -5.930 -9.985 6.285 1.00 0.47 O ATOM 545 CB PHE A 35 -8.583 -10.704 7.698 1.00 0.58 C ATOM 546 CG PHE A 35 -9.668 -11.156 6.762 1.00 0.99 C ATOM 547 CD1 PHE A 35 -9.402 -11.356 5.417 1.00 1.12 C ATOM 548 CD2 PHE A 35 -10.954 -11.380 7.228 1.00 1.86 C ATOM 549 CE1 PHE A 35 -10.398 -11.772 4.554 1.00 1.64 C ATOM 550 CE2 PHE A 35 -11.954 -11.795 6.369 1.00 2.52 C ATOM 551 CZ PHE A 35 -11.676 -11.992 5.031 1.00 2.31 C ATOM 552 H PHE A 35 -9.811 -8.662 6.494 1.00 0.45 H ATOM 553 HA PHE A 35 -7.429 -8.968 8.179 1.00 0.53 H ATOM 554 HB2 PHE A 35 -7.800 -11.446 7.680 1.00 0.76 H ATOM 555 HB3 PHE A 35 -9.001 -10.653 8.693 1.00 0.89 H ATOM 556 HD1 PHE A 35 -8.403 -11.186 5.043 1.00 1.33 H ATOM 557 HD2 PHE A 35 -11.173 -11.226 8.274 1.00 2.17 H ATOM 558 HE1 PHE A 35 -10.177 -11.925 3.508 1.00 1.82 H ATOM 559 HE2 PHE A 35 -12.952 -11.967 6.745 1.00 3.30 H ATOM 560 HZ PHE A 35 -12.456 -12.317 4.358 1.00 2.85 H ATOM 561 N ASP A 36 -7.496 -9.052 4.968 1.00 0.36 N ATOM 562 CA ASP A 36 -6.683 -9.143 3.760 1.00 0.34 C ATOM 563 C ASP A 36 -5.943 -7.836 3.499 1.00 0.25 C ATOM 564 O ASP A 36 -6.431 -6.969 2.775 1.00 0.21 O ATOM 565 CB ASP A 36 -7.560 -9.493 2.557 1.00 0.41 C ATOM 566 CG ASP A 36 -6.807 -10.272 1.497 1.00 0.76 C ATOM 567 OD1 ASP A 36 -5.894 -11.041 1.863 1.00 1.69 O ATOM 568 OD2 ASP A 36 -7.131 -10.112 0.301 1.00 0.84 O ATOM 569 H ASP A 36 -8.394 -8.665 4.909 1.00 0.35 H ATOM 570 HA ASP A 36 -5.959 -9.930 3.907 1.00 0.35 H ATOM 571 HB2 ASP A 36 -8.395 -10.090 2.890 1.00 0.76 H ATOM 572 HB3 ASP A 36 -7.930 -8.581 2.113 1.00 0.76 H ATOM 573 N SER A 37 -4.762 -7.701 4.092 1.00 0.26 N ATOM 574 CA SER A 37 -3.954 -6.500 3.921 1.00 0.21 C ATOM 575 C SER A 37 -3.624 -6.275 2.450 1.00 0.23 C ATOM 576 O SER A 37 -3.644 -7.210 1.650 1.00 0.28 O ATOM 577 CB SER A 37 -2.662 -6.610 4.731 1.00 0.25 C ATOM 578 OG SER A 37 -2.370 -7.960 5.046 1.00 0.94 O ATOM 579 H SER A 37 -4.425 -8.428 4.657 1.00 0.31 H ATOM 580 HA SER A 37 -4.526 -5.660 4.284 1.00 0.20 H ATOM 581 HB2 SER A 37 -1.843 -6.203 4.156 1.00 0.70 H ATOM 582 HB3 SER A 37 -2.767 -6.053 5.651 1.00 0.71 H ATOM 583 HG SER A 37 -2.014 -8.400 4.270 1.00 1.38 H ATOM 584 N ILE A 38 -3.314 -5.033 2.098 1.00 0.22 N ATOM 585 CA ILE A 38 -2.976 -4.695 0.722 1.00 0.27 C ATOM 586 C ILE A 38 -1.540 -5.094 0.408 1.00 0.27 C ATOM 587 O ILE A 38 -1.298 -6.016 -0.373 1.00 0.27 O ATOM 588 CB ILE A 38 -3.172 -3.191 0.445 1.00 0.32 C ATOM 589 CG1 ILE A 38 -4.597 -2.782 0.860 1.00 0.36 C ATOM 590 CG2 ILE A 38 -2.900 -2.886 -1.028 1.00 0.34 C ATOM 591 CD1 ILE A 38 -5.137 -1.548 0.164 1.00 0.47 C ATOM 592 H ILE A 38 -3.311 -4.328 2.780 1.00 0.21 H ATOM 593 HA ILE A 38 -3.639 -5.246 0.072 1.00 0.28 H ATOM 594 HB ILE A 38 -2.457 -2.639 1.042 1.00 0.35 H ATOM 595 HG12 ILE A 38 -5.271 -3.596 0.643 1.00 0.64 H ATOM 596 HG13 ILE A 38 -4.610 -2.592 1.924 1.00 0.61 H ATOM 597 HG21 ILE A 38 -3.113 -1.846 -1.226 1.00 0.98 H ATOM 598 HG22 ILE A 38 -3.530 -3.505 -1.649 1.00 1.04 H ATOM 599 HG23 ILE A 38 -1.863 -3.090 -1.252 1.00 1.16 H ATOM 600 HD11 ILE A 38 -4.330 -1.035 -0.339 1.00 1.03 H ATOM 601 HD12 ILE A 38 -5.586 -0.890 0.892 1.00 1.04 H ATOM 602 HD13 ILE A 38 -5.882 -1.845 -0.560 1.00 1.37 H ATOM 603 N CYS A 39 -0.593 -4.403 1.027 1.00 0.32 N ATOM 604 CA CYS A 39 0.820 -4.693 0.820 1.00 0.34 C ATOM 605 C CYS A 39 1.593 -4.593 2.127 1.00 0.40 C ATOM 606 O CYS A 39 1.171 -3.913 3.061 1.00 0.55 O ATOM 607 CB CYS A 39 1.435 -3.744 -0.218 1.00 0.40 C ATOM 608 SG CYS A 39 0.603 -2.143 -0.379 1.00 1.29 S ATOM 609 H CYS A 39 -0.849 -3.685 1.644 1.00 0.35 H ATOM 610 HA CYS A 39 0.896 -5.706 0.454 1.00 0.36 H ATOM 611 HB2 CYS A 39 2.460 -3.548 0.054 1.00 1.04 H ATOM 612 HB3 CYS A 39 1.415 -4.225 -1.183 1.00 0.89 H ATOM 613 HG CYS A 39 1.191 -1.474 -1.361 1.00 1.89 H ATOM 614 N GLU A 40 2.731 -5.271 2.182 1.00 0.36 N ATOM 615 CA GLU A 40 3.572 -5.252 3.369 1.00 0.44 C ATOM 616 C GLU A 40 5.042 -5.193 2.976 1.00 0.48 C ATOM 617 O GLU A 40 5.528 -6.041 2.228 1.00 0.50 O ATOM 618 CB GLU A 40 3.310 -6.488 4.232 1.00 0.57 C ATOM 619 CG GLU A 40 1.901 -6.548 4.799 1.00 1.15 C ATOM 620 CD GLU A 40 0.986 -7.451 3.995 1.00 1.65 C ATOM 621 OE1 GLU A 40 0.799 -7.185 2.789 1.00 1.74 O ATOM 622 OE2 GLU A 40 0.454 -8.424 4.571 1.00 2.37 O ATOM 623 H GLU A 40 3.016 -5.791 1.403 1.00 0.35 H ATOM 624 HA GLU A 40 3.326 -4.367 3.936 1.00 0.48 H ATOM 625 HB2 GLU A 40 3.472 -7.372 3.634 1.00 0.75 H ATOM 626 HB3 GLU A 40 4.007 -6.490 5.058 1.00 0.97 H ATOM 627 HG2 GLU A 40 1.949 -6.922 5.812 1.00 1.68 H ATOM 628 HG3 GLU A 40 1.486 -5.551 4.804 1.00 1.33 H ATOM 629 N VAL A 41 5.747 -4.192 3.486 1.00 0.55 N ATOM 630 CA VAL A 41 7.163 -4.034 3.189 1.00 0.64 C ATOM 631 C VAL A 41 8.003 -4.324 4.424 1.00 0.92 C ATOM 632 O VAL A 41 7.605 -4.007 5.545 1.00 1.08 O ATOM 633 CB VAL A 41 7.486 -2.618 2.667 1.00 0.65 C ATOM 634 CG1 VAL A 41 6.629 -2.289 1.455 1.00 1.35 C ATOM 635 CG2 VAL A 41 7.298 -1.576 3.761 1.00 1.32 C ATOM 636 H VAL A 41 5.307 -3.548 4.080 1.00 0.56 H ATOM 637 HA VAL A 41 7.421 -4.746 2.418 1.00 0.58 H ATOM 638 HB VAL A 41 8.522 -2.600 2.359 1.00 1.03 H ATOM 639 HG11 VAL A 41 7.263 -2.162 0.591 1.00 1.88 H ATOM 640 HG12 VAL A 41 6.081 -1.377 1.638 1.00 1.70 H ATOM 641 HG13 VAL A 41 5.934 -3.097 1.276 1.00 1.99 H ATOM 642 HG21 VAL A 41 6.497 -0.907 3.486 1.00 1.91 H ATOM 643 HG22 VAL A 41 8.212 -1.013 3.882 1.00 1.85 H ATOM 644 HG23 VAL A 41 7.053 -2.069 4.690 1.00 1.73 H ATOM 645 N GLN A 42 9.161 -4.936 4.217 1.00 1.03 N ATOM 646 CA GLN A 42 10.043 -5.274 5.328 1.00 1.34 C ATOM 647 C GLN A 42 11.458 -4.756 5.093 1.00 1.39 C ATOM 648 O GLN A 42 12.107 -5.109 4.108 1.00 1.38 O ATOM 649 CB GLN A 42 10.066 -6.789 5.545 1.00 1.58 C ATOM 650 CG GLN A 42 8.698 -7.382 5.853 1.00 1.80 C ATOM 651 CD GLN A 42 8.765 -8.506 6.867 1.00 2.17 C ATOM 652 OE1 GLN A 42 9.748 -9.245 6.930 1.00 2.33 O ATOM 653 NE2 GLN A 42 7.715 -8.642 7.669 1.00 2.60 N ATOM 654 H GLN A 42 9.425 -5.171 3.300 1.00 0.92 H ATOM 655 HA GLN A 42 9.646 -4.803 6.215 1.00 1.45 H ATOM 656 HB2 GLN A 42 10.448 -7.264 4.653 1.00 1.90 H ATOM 657 HB3 GLN A 42 10.725 -7.013 6.371 1.00 1.57 H ATOM 658 HG2 GLN A 42 8.060 -6.602 6.244 1.00 1.75 H ATOM 659 HG3 GLN A 42 8.274 -7.767 4.938 1.00 2.33 H ATOM 660 HE21 GLN A 42 6.968 -8.017 7.561 1.00 2.58 H ATOM 661 HE22 GLN A 42 7.732 -9.359 8.337 1.00 3.03 H ATOM 662 N SER A 43 11.929 -3.919 6.012 1.00 1.55 N ATOM 663 CA SER A 43 13.268 -3.349 5.922 1.00 1.64 C ATOM 664 C SER A 43 14.109 -3.766 7.126 1.00 2.05 C ATOM 665 O SER A 43 13.573 -4.066 8.193 1.00 2.29 O ATOM 666 CB SER A 43 13.194 -1.823 5.840 1.00 1.43 C ATOM 667 OG SER A 43 14.289 -1.297 5.108 1.00 1.73 O ATOM 668 H SER A 43 11.361 -3.681 6.775 1.00 1.66 H ATOM 669 HA SER A 43 13.731 -3.728 5.024 1.00 1.72 H ATOM 670 HB2 SER A 43 12.278 -1.535 5.346 1.00 1.67 H ATOM 671 HB3 SER A 43 13.211 -1.409 6.837 1.00 1.66 H ATOM 672 HG SER A 43 14.611 -0.503 5.540 1.00 1.85 H ATOM 673 N ASP A 44 15.426 -3.786 6.949 1.00 2.23 N ATOM 674 CA ASP A 44 16.339 -4.171 8.023 1.00 2.66 C ATOM 675 C ASP A 44 15.993 -3.453 9.325 1.00 2.80 C ATOM 676 O ASP A 44 16.267 -3.957 10.415 1.00 3.14 O ATOM 677 CB ASP A 44 17.782 -3.864 7.625 1.00 2.85 C ATOM 678 CG ASP A 44 17.953 -2.445 7.122 1.00 3.67 C ATOM 679 OD1 ASP A 44 16.973 -1.672 7.180 1.00 3.89 O ATOM 680 OD2 ASP A 44 19.067 -2.105 6.671 1.00 4.39 O ATOM 681 H ASP A 44 15.795 -3.538 6.076 1.00 2.12 H ATOM 682 HA ASP A 44 16.237 -5.235 8.176 1.00 2.84 H ATOM 683 HB2 ASP A 44 18.423 -4.003 8.483 1.00 2.91 H ATOM 684 HB3 ASP A 44 18.085 -4.544 6.841 1.00 2.86 H ATOM 685 N LYS A 45 15.386 -2.277 9.204 1.00 2.69 N ATOM 686 CA LYS A 45 14.998 -1.493 10.371 1.00 2.92 C ATOM 687 C LYS A 45 13.806 -2.129 11.078 1.00 3.03 C ATOM 688 O LYS A 45 13.937 -2.677 12.171 1.00 3.65 O ATOM 689 CB LYS A 45 14.648 -0.062 9.956 1.00 2.89 C ATOM 690 CG LYS A 45 15.862 0.833 9.772 1.00 2.98 C ATOM 691 CD LYS A 45 15.457 2.254 9.412 1.00 3.17 C ATOM 692 CE LYS A 45 14.814 2.319 8.035 1.00 3.22 C ATOM 693 NZ LYS A 45 15.815 2.141 6.947 1.00 3.62 N ATOM 694 H LYS A 45 15.191 -1.929 8.309 1.00 2.55 H ATOM 695 HA LYS A 45 15.836 -1.468 11.051 1.00 3.24 H ATOM 696 HB2 LYS A 45 14.106 -0.093 9.023 1.00 3.09 H ATOM 697 HB3 LYS A 45 14.017 0.376 10.715 1.00 3.10 H ATOM 698 HG2 LYS A 45 16.426 0.853 10.693 1.00 3.15 H ATOM 699 HG3 LYS A 45 16.476 0.432 8.980 1.00 3.31 H ATOM 700 HD2 LYS A 45 14.751 2.613 10.145 1.00 3.55 H ATOM 701 HD3 LYS A 45 16.337 2.881 9.419 1.00 3.36 H ATOM 702 HE2 LYS A 45 14.071 1.539 7.960 1.00 3.47 H ATOM 703 HE3 LYS A 45 14.337 3.282 7.920 1.00 3.21 H ATOM 704 HZ1 LYS A 45 15.331 1.976 6.041 1.00 3.82 H ATOM 705 HZ2 LYS A 45 16.428 1.327 7.153 1.00 4.28 H ATOM 706 HZ3 LYS A 45 16.405 2.993 6.862 1.00 3.55 H ATOM 707 N ALA A 46 12.643 -2.049 10.441 1.00 2.58 N ATOM 708 CA ALA A 46 11.422 -2.614 10.998 1.00 2.82 C ATOM 709 C ALA A 46 10.549 -3.208 9.899 1.00 2.68 C ATOM 710 O ALA A 46 10.735 -2.913 8.718 1.00 2.63 O ATOM 711 CB ALA A 46 10.654 -1.552 11.771 1.00 2.83 C ATOM 712 H ALA A 46 12.606 -1.598 9.571 1.00 2.24 H ATOM 713 HA ALA A 46 11.700 -3.398 11.687 1.00 3.48 H ATOM 714 HB1 ALA A 46 10.243 -1.988 12.670 1.00 3.22 H ATOM 715 HB2 ALA A 46 9.852 -1.169 11.158 1.00 2.95 H ATOM 716 HB3 ALA A 46 11.321 -0.746 12.035 1.00 2.98 H ATOM 717 N SER A 47 9.594 -4.044 10.292 1.00 2.96 N ATOM 718 CA SER A 47 8.692 -4.677 9.337 1.00 2.92 C ATOM 719 C SER A 47 7.366 -3.930 9.282 1.00 2.26 C ATOM 720 O SER A 47 6.634 -3.872 10.270 1.00 2.31 O ATOM 721 CB SER A 47 8.453 -6.138 9.718 1.00 3.72 C ATOM 722 OG SER A 47 9.630 -6.732 10.237 1.00 4.52 O ATOM 723 H SER A 47 9.493 -4.240 11.247 1.00 3.37 H ATOM 724 HA SER A 47 9.157 -4.637 8.363 1.00 3.05 H ATOM 725 HB2 SER A 47 7.679 -6.189 10.470 1.00 3.96 H ATOM 726 HB3 SER A 47 8.141 -6.689 8.843 1.00 3.84 H ATOM 727 HG SER A 47 9.406 -7.288 10.987 1.00 4.60 H ATOM 728 N VAL A 48 7.065 -3.349 8.124 1.00 2.12 N ATOM 729 CA VAL A 48 5.829 -2.594 7.950 1.00 1.80 C ATOM 730 C VAL A 48 4.775 -3.411 7.216 1.00 1.55 C ATOM 731 O VAL A 48 5.069 -4.093 6.234 1.00 1.97 O ATOM 732 CB VAL A 48 6.049 -1.274 7.175 1.00 2.53 C ATOM 733 CG1 VAL A 48 5.051 -0.220 7.630 1.00 2.98 C ATOM 734 CG2 VAL A 48 7.478 -0.767 7.334 1.00 3.50 C ATOM 735 H VAL A 48 7.691 -3.424 7.374 1.00 2.56 H ATOM 736 HA VAL A 48 5.452 -2.347 8.932 1.00 1.77 H ATOM 737 HB VAL A 48 5.872 -1.467 6.125 1.00 2.69 H ATOM 738 HG11 VAL A 48 4.115 -0.363 7.110 1.00 3.64 H ATOM 739 HG12 VAL A 48 5.439 0.763 7.409 1.00 3.11 H ATOM 740 HG13 VAL A 48 4.889 -0.313 8.694 1.00 3.16 H ATOM 741 HG21 VAL A 48 7.924 -1.218 8.208 1.00 3.86 H ATOM 742 HG22 VAL A 48 7.469 0.307 7.448 1.00 3.81 H ATOM 743 HG23 VAL A 48 8.053 -1.031 6.459 1.00 3.97 H ATOM 744 N THR A 49 3.541 -3.319 7.693 1.00 1.13 N ATOM 745 CA THR A 49 2.424 -4.027 7.086 1.00 0.98 C ATOM 746 C THR A 49 1.232 -3.087 6.936 1.00 0.69 C ATOM 747 O THR A 49 0.853 -2.400 7.885 1.00 0.71 O ATOM 748 CB THR A 49 2.015 -5.256 7.920 1.00 1.22 C ATOM 749 OG1 THR A 49 1.509 -4.840 9.195 1.00 1.28 O ATOM 750 CG2 THR A 49 3.201 -6.191 8.120 1.00 1.46 C ATOM 751 H THR A 49 3.374 -2.748 8.472 1.00 1.22 H ATOM 752 HA THR A 49 2.734 -4.364 6.107 1.00 1.23 H ATOM 753 HB THR A 49 1.240 -5.791 7.390 1.00 1.43 H ATOM 754 HG1 THR A 49 2.210 -4.415 9.695 1.00 1.79 H ATOM 755 HG21 THR A 49 3.874 -5.769 8.852 1.00 1.93 H ATOM 756 HG22 THR A 49 3.724 -6.317 7.182 1.00 1.52 H ATOM 757 HG23 THR A 49 2.849 -7.151 8.466 1.00 1.92 H ATOM 758 N ILE A 50 0.657 -3.039 5.739 1.00 0.66 N ATOM 759 CA ILE A 50 -0.473 -2.153 5.476 1.00 0.49 C ATOM 760 C ILE A 50 -1.807 -2.890 5.548 1.00 0.37 C ATOM 761 O ILE A 50 -2.135 -3.699 4.679 1.00 0.36 O ATOM 762 CB ILE A 50 -0.346 -1.480 4.093 1.00 0.66 C ATOM 763 CG1 ILE A 50 0.972 -0.710 3.994 1.00 0.95 C ATOM 764 CG2 ILE A 50 -1.524 -0.547 3.843 1.00 0.78 C ATOM 765 CD1 ILE A 50 2.008 -1.388 3.125 1.00 1.01 C ATOM 766 H ILE A 50 1.011 -3.594 5.013 1.00 0.90 H ATOM 767 HA ILE A 50 -0.465 -1.377 6.228 1.00 0.56 H ATOM 768 HB ILE A 50 -0.363 -2.251 3.338 1.00 0.67 H ATOM 769 HG12 ILE A 50 0.778 0.265 3.575 1.00 1.03 H ATOM 770 HG13 ILE A 50 1.391 -0.597 4.984 1.00 1.14 H ATOM 771 HG21 ILE A 50 -2.112 -0.460 4.744 1.00 1.20 H ATOM 772 HG22 ILE A 50 -2.138 -0.948 3.050 1.00 1.07 H ATOM 773 HG23 ILE A 50 -1.157 0.427 3.557 1.00 1.22 H ATOM 774 HD11 ILE A 50 2.461 -2.200 3.674 1.00 1.28 H ATOM 775 HD12 ILE A 50 2.768 -0.674 2.847 1.00 1.69 H ATOM 776 HD13 ILE A 50 1.533 -1.775 2.235 1.00 1.26 H ATOM 777 N THR A 51 -2.580 -2.583 6.586 1.00 0.41 N ATOM 778 CA THR A 51 -3.890 -3.190 6.775 1.00 0.44 C ATOM 779 C THR A 51 -4.965 -2.339 6.111 1.00 0.40 C ATOM 780 O THR A 51 -4.663 -1.311 5.504 1.00 0.50 O ATOM 781 CB THR A 51 -4.230 -3.358 8.267 1.00 0.56 C ATOM 782 OG1 THR A 51 -3.625 -2.308 9.030 1.00 0.79 O ATOM 783 CG2 THR A 51 -3.750 -4.707 8.783 1.00 1.04 C ATOM 784 H THR A 51 -2.265 -1.919 7.234 1.00 0.49 H ATOM 785 HA THR A 51 -3.879 -4.167 6.312 1.00 0.48 H ATOM 786 HB THR A 51 -5.303 -3.307 8.384 1.00 0.88 H ATOM 787 HG1 THR A 51 -3.658 -2.529 9.964 1.00 1.38 H ATOM 788 HG21 THR A 51 -3.930 -5.464 8.034 1.00 1.67 H ATOM 789 HG22 THR A 51 -4.287 -4.958 9.685 1.00 1.69 H ATOM 790 HG23 THR A 51 -2.692 -4.655 8.996 1.00 0.95 H ATOM 791 N SER A 52 -6.217 -2.767 6.217 1.00 0.49 N ATOM 792 CA SER A 52 -7.317 -2.030 5.609 1.00 0.56 C ATOM 793 C SER A 52 -8.355 -1.601 6.643 1.00 0.56 C ATOM 794 O SER A 52 -8.982 -0.552 6.501 1.00 0.66 O ATOM 795 CB SER A 52 -7.988 -2.882 4.530 1.00 0.63 C ATOM 796 OG SER A 52 -8.734 -2.077 3.634 1.00 1.36 O ATOM 797 H SER A 52 -6.403 -3.596 6.707 1.00 0.62 H ATOM 798 HA SER A 52 -6.904 -1.147 5.146 1.00 0.67 H ATOM 799 HB2 SER A 52 -7.232 -3.415 3.972 1.00 0.96 H ATOM 800 HB3 SER A 52 -8.655 -3.591 4.999 1.00 0.94 H ATOM 801 HG SER A 52 -8.251 -1.983 2.810 1.00 1.67 H ATOM 802 N ARG A 53 -8.553 -2.426 7.671 1.00 0.54 N ATOM 803 CA ARG A 53 -9.544 -2.135 8.711 1.00 0.63 C ATOM 804 C ARG A 53 -10.960 -2.086 8.123 1.00 0.58 C ATOM 805 O ARG A 53 -11.899 -1.640 8.782 1.00 0.68 O ATOM 806 CB ARG A 53 -9.249 -0.797 9.404 1.00 0.83 C ATOM 807 CG ARG A 53 -7.790 -0.363 9.365 1.00 1.39 C ATOM 808 CD ARG A 53 -6.873 -1.422 9.952 1.00 2.19 C ATOM 809 NE ARG A 53 -6.077 -0.896 11.058 1.00 2.73 N ATOM 810 CZ ARG A 53 -5.528 -1.655 12.000 1.00 3.54 C ATOM 811 NH1 ARG A 53 -5.687 -2.972 11.974 1.00 4.04 N ATOM 812 NH2 ARG A 53 -4.820 -1.097 12.972 1.00 4.23 N ATOM 813 H ARG A 53 -8.037 -3.258 7.722 1.00 0.52 H ATOM 814 HA ARG A 53 -9.499 -2.928 9.443 1.00 0.67 H ATOM 815 HB2 ARG A 53 -9.838 -0.027 8.929 1.00 1.40 H ATOM 816 HB3 ARG A 53 -9.549 -0.873 10.440 1.00 1.23 H ATOM 817 HG2 ARG A 53 -7.503 -0.172 8.343 1.00 1.79 H ATOM 818 HG3 ARG A 53 -7.685 0.546 9.940 1.00 1.62 H ATOM 819 HD2 ARG A 53 -7.476 -2.243 10.312 1.00 2.65 H ATOM 820 HD3 ARG A 53 -6.209 -1.776 9.178 1.00 2.47 H ATOM 821 HE ARG A 53 -5.947 0.074 11.100 1.00 2.86 H ATOM 822 HH11 ARG A 53 -6.220 -3.397 11.243 1.00 3.87 H ATOM 823 HH12 ARG A 53 -5.272 -3.539 12.685 1.00 4.80 H ATOM 824 HH21 ARG A 53 -4.699 -0.105 12.996 1.00 4.30 H ATOM 825 HH22 ARG A 53 -4.406 -1.669 13.681 1.00 4.88 H ATOM 826 N TYR A 54 -11.102 -2.527 6.874 1.00 0.45 N ATOM 827 CA TYR A 54 -12.380 -2.517 6.183 1.00 0.41 C ATOM 828 C TYR A 54 -12.201 -3.139 4.807 1.00 0.31 C ATOM 829 O TYR A 54 -11.076 -3.437 4.403 1.00 0.28 O ATOM 830 CB TYR A 54 -12.911 -1.087 6.055 1.00 0.50 C ATOM 831 CG TYR A 54 -14.063 -0.779 6.985 1.00 1.15 C ATOM 832 CD1 TYR A 54 -15.296 -1.400 6.825 1.00 1.89 C ATOM 833 CD2 TYR A 54 -13.919 0.135 8.021 1.00 1.77 C ATOM 834 CE1 TYR A 54 -16.353 -1.118 7.671 1.00 2.72 C ATOM 835 CE2 TYR A 54 -14.971 0.423 8.871 1.00 2.59 C ATOM 836 CZ TYR A 54 -16.185 -0.206 8.692 1.00 2.95 C ATOM 837 OH TYR A 54 -17.235 0.079 9.535 1.00 3.88 O ATOM 838 H TYR A 54 -10.324 -2.865 6.394 1.00 0.41 H ATOM 839 HA TYR A 54 -13.078 -3.111 6.754 1.00 0.43 H ATOM 840 HB2 TYR A 54 -12.113 -0.394 6.275 1.00 0.94 H ATOM 841 HB3 TYR A 54 -13.249 -0.926 5.042 1.00 0.91 H ATOM 842 HD1 TYR A 54 -15.425 -2.114 6.025 1.00 2.09 H ATOM 843 HD2 TYR A 54 -12.967 0.626 8.160 1.00 1.94 H ATOM 844 HE1 TYR A 54 -17.303 -1.611 7.531 1.00 3.38 H ATOM 845 HE2 TYR A 54 -14.839 1.137 9.670 1.00 3.15 H ATOM 846 HH TYR A 54 -17.184 -0.483 10.311 1.00 4.02 H ATOM 847 N ASP A 55 -13.288 -3.327 4.077 1.00 0.30 N ATOM 848 CA ASP A 55 -13.186 -3.904 2.747 1.00 0.24 C ATOM 849 C ASP A 55 -13.152 -2.792 1.708 1.00 0.23 C ATOM 850 O ASP A 55 -14.083 -1.994 1.603 1.00 0.28 O ATOM 851 CB ASP A 55 -14.350 -4.853 2.467 1.00 0.28 C ATOM 852 CG ASP A 55 -14.547 -5.873 3.572 1.00 1.01 C ATOM 853 OD1 ASP A 55 -14.344 -5.519 4.752 1.00 1.33 O ATOM 854 OD2 ASP A 55 -14.903 -7.028 3.255 1.00 1.52 O ATOM 855 H ASP A 55 -14.164 -3.067 4.430 1.00 0.36 H ATOM 856 HA ASP A 55 -12.259 -4.454 2.700 1.00 0.20 H ATOM 857 HB2 ASP A 55 -15.259 -4.280 2.364 1.00 0.59 H ATOM 858 HB3 ASP A 55 -14.155 -5.382 1.545 1.00 0.80 H ATOM 859 N GLY A 56 -12.052 -2.730 0.963 1.00 0.18 N ATOM 860 CA GLY A 56 -11.889 -1.692 -0.035 1.00 0.18 C ATOM 861 C GLY A 56 -11.643 -2.231 -1.426 1.00 0.15 C ATOM 862 O GLY A 56 -11.344 -3.404 -1.597 1.00 0.15 O ATOM 863 H GLY A 56 -11.335 -3.384 1.109 1.00 0.16 H ATOM 864 HA2 GLY A 56 -12.786 -1.091 -0.053 1.00 0.21 H ATOM 865 HA3 GLY A 56 -11.057 -1.065 0.248 1.00 0.20 H ATOM 866 N VAL A 57 -11.781 -1.372 -2.429 1.00 0.18 N ATOM 867 CA VAL A 57 -11.579 -1.791 -3.812 1.00 0.21 C ATOM 868 C VAL A 57 -10.263 -1.274 -4.388 1.00 0.22 C ATOM 869 O VAL A 57 -10.039 -0.067 -4.465 1.00 0.26 O ATOM 870 CB VAL A 57 -12.732 -1.316 -4.715 1.00 0.30 C ATOM 871 CG1 VAL A 57 -12.600 -1.918 -6.105 1.00 1.06 C ATOM 872 CG2 VAL A 57 -14.075 -1.667 -4.095 1.00 1.11 C ATOM 873 H VAL A 57 -12.030 -0.442 -2.234 1.00 0.22 H ATOM 874 HA VAL A 57 -11.564 -2.871 -3.830 1.00 0.22 H ATOM 875 HB VAL A 57 -12.671 -0.241 -4.806 1.00 0.83 H ATOM 876 HG11 VAL A 57 -12.387 -2.974 -6.021 1.00 1.72 H ATOM 877 HG12 VAL A 57 -11.794 -1.430 -6.634 1.00 1.57 H ATOM 878 HG13 VAL A 57 -13.523 -1.779 -6.648 1.00 1.40 H ATOM 879 HG21 VAL A 57 -14.817 -1.766 -4.875 1.00 1.49 H ATOM 880 HG22 VAL A 57 -14.373 -0.884 -3.413 1.00 1.58 H ATOM 881 HG23 VAL A 57 -13.992 -2.600 -3.558 1.00 1.60 H ATOM 882 N ILE A 58 -9.408 -2.202 -4.815 1.00 0.21 N ATOM 883 CA ILE A 58 -8.122 -1.851 -5.413 1.00 0.24 C ATOM 884 C ILE A 58 -8.230 -1.928 -6.929 1.00 0.33 C ATOM 885 O ILE A 58 -8.668 -2.947 -7.475 1.00 0.38 O ATOM 886 CB ILE A 58 -6.998 -2.783 -4.925 1.00 0.19 C ATOM 887 CG1 ILE A 58 -7.027 -2.880 -3.402 1.00 0.20 C ATOM 888 CG2 ILE A 58 -5.642 -2.282 -5.394 1.00 0.23 C ATOM 889 CD1 ILE A 58 -6.212 -4.028 -2.853 1.00 0.17 C ATOM 890 H ILE A 58 -9.656 -3.147 -4.742 1.00 0.21 H ATOM 891 HA ILE A 58 -7.881 -0.837 -5.126 1.00 0.26 H ATOM 892 HB ILE A 58 -7.159 -3.763 -5.349 1.00 0.26 H ATOM 893 HG12 ILE A 58 -6.632 -1.965 -2.988 1.00 0.30 H ATOM 894 HG13 ILE A 58 -8.049 -3.008 -3.076 1.00 0.34 H ATOM 895 HG21 ILE A 58 -5.355 -2.806 -6.293 1.00 0.95 H ATOM 896 HG22 ILE A 58 -4.906 -2.462 -4.622 1.00 0.98 H ATOM 897 HG23 ILE A 58 -5.699 -1.222 -5.595 1.00 1.00 H ATOM 898 HD11 ILE A 58 -5.749 -3.728 -1.924 1.00 0.90 H ATOM 899 HD12 ILE A 58 -5.447 -4.295 -3.566 1.00 0.82 H ATOM 900 HD13 ILE A 58 -6.855 -4.877 -2.678 1.00 0.89 H ATOM 901 N LYS A 59 -7.872 -0.836 -7.603 1.00 0.40 N ATOM 902 CA LYS A 59 -7.988 -0.774 -9.058 1.00 0.53 C ATOM 903 C LYS A 59 -6.675 -1.045 -9.790 1.00 0.52 C ATOM 904 O LYS A 59 -6.668 -1.758 -10.791 1.00 0.61 O ATOM 905 CB LYS A 59 -8.531 0.593 -9.475 1.00 0.65 C ATOM 906 CG LYS A 59 -9.340 0.560 -10.760 1.00 0.83 C ATOM 907 CD LYS A 59 -9.545 1.957 -11.323 1.00 1.03 C ATOM 908 CE LYS A 59 -10.030 1.910 -12.763 1.00 1.51 C ATOM 909 NZ LYS A 59 -9.154 2.701 -13.671 1.00 2.14 N ATOM 910 H LYS A 59 -7.561 -0.045 -7.107 1.00 0.40 H ATOM 911 HA LYS A 59 -8.701 -1.526 -9.356 1.00 0.58 H ATOM 912 HB2 LYS A 59 -9.164 0.971 -8.686 1.00 0.75 H ATOM 913 HB3 LYS A 59 -7.701 1.270 -9.614 1.00 0.65 H ATOM 914 HG2 LYS A 59 -8.815 -0.038 -11.490 1.00 0.94 H ATOM 915 HG3 LYS A 59 -10.305 0.118 -10.556 1.00 0.82 H ATOM 916 HD2 LYS A 59 -10.280 2.472 -10.723 1.00 0.94 H ATOM 917 HD3 LYS A 59 -8.607 2.491 -11.285 1.00 1.28 H ATOM 918 HE2 LYS A 59 -10.040 0.882 -13.093 1.00 1.86 H ATOM 919 HE3 LYS A 59 -11.032 2.310 -12.805 1.00 1.92 H ATOM 920 HZ1 LYS A 59 -9.459 2.579 -14.658 1.00 2.58 H ATOM 921 HZ2 LYS A 59 -8.168 2.383 -13.584 1.00 2.75 H ATOM 922 HZ3 LYS A 59 -9.204 3.711 -13.426 1.00 2.18 H ATOM 923 N LYS A 60 -5.571 -0.467 -9.329 1.00 0.44 N ATOM 924 CA LYS A 60 -4.296 -0.670 -10.013 1.00 0.45 C ATOM 925 C LYS A 60 -3.135 -0.874 -9.047 1.00 0.37 C ATOM 926 O LYS A 60 -3.088 -0.287 -7.969 1.00 0.53 O ATOM 927 CB LYS A 60 -3.995 0.514 -10.931 1.00 0.55 C ATOM 928 CG LYS A 60 -3.699 1.801 -10.182 1.00 0.76 C ATOM 929 CD LYS A 60 -4.951 2.364 -9.535 1.00 0.51 C ATOM 930 CE LYS A 60 -5.212 3.791 -9.986 1.00 0.71 C ATOM 931 NZ LYS A 60 -5.822 3.837 -11.344 1.00 1.35 N ATOM 932 H LYS A 60 -5.616 0.114 -8.540 1.00 0.41 H ATOM 933 HA LYS A 60 -4.393 -1.556 -10.620 1.00 0.48 H ATOM 934 HB2 LYS A 60 -3.137 0.273 -11.542 1.00 0.69 H ATOM 935 HB3 LYS A 60 -4.847 0.684 -11.573 1.00 0.54 H ATOM 936 HG2 LYS A 60 -2.968 1.601 -9.413 1.00 1.19 H ATOM 937 HG3 LYS A 60 -3.305 2.528 -10.877 1.00 1.16 H ATOM 938 HD2 LYS A 60 -5.795 1.751 -9.814 1.00 0.76 H ATOM 939 HD3 LYS A 60 -4.830 2.348 -8.460 1.00 0.65 H ATOM 940 HE2 LYS A 60 -5.882 4.262 -9.283 1.00 1.14 H ATOM 941 HE3 LYS A 60 -4.273 4.326 -10.004 1.00 1.06 H ATOM 942 HZ1 LYS A 60 -6.842 4.028 -11.270 1.00 2.13 H ATOM 943 HZ2 LYS A 60 -5.686 2.928 -11.829 1.00 1.62 H ATOM 944 HZ3 LYS A 60 -5.379 4.589 -11.911 1.00 1.66 H ATOM 945 N LEU A 61 -2.189 -1.705 -9.472 1.00 0.35 N ATOM 946 CA LEU A 61 -0.996 -2.005 -8.692 1.00 0.37 C ATOM 947 C LEU A 61 0.223 -2.023 -9.615 1.00 0.56 C ATOM 948 O LEU A 61 0.170 -2.595 -10.704 1.00 0.94 O ATOM 949 CB LEU A 61 -1.150 -3.351 -7.984 1.00 0.39 C ATOM 950 CG LEU A 61 -2.132 -3.361 -6.810 1.00 0.33 C ATOM 951 CD1 LEU A 61 -3.168 -4.458 -6.991 1.00 1.14 C ATOM 952 CD2 LEU A 61 -1.387 -3.544 -5.499 1.00 0.91 C ATOM 953 H LEU A 61 -2.291 -2.122 -10.351 1.00 0.47 H ATOM 954 HA LEU A 61 -0.870 -1.224 -7.956 1.00 0.42 H ATOM 955 HB2 LEU A 61 -1.484 -4.078 -8.710 1.00 0.55 H ATOM 956 HB3 LEU A 61 -0.181 -3.654 -7.616 1.00 0.56 H ATOM 957 HG LEU A 61 -2.652 -2.415 -6.770 1.00 0.55 H ATOM 958 HD11 LEU A 61 -4.123 -4.015 -7.234 1.00 1.83 H ATOM 959 HD12 LEU A 61 -3.257 -5.025 -6.076 1.00 1.49 H ATOM 960 HD13 LEU A 61 -2.862 -5.113 -7.793 1.00 1.48 H ATOM 961 HD21 LEU A 61 -1.038 -4.563 -5.424 1.00 1.38 H ATOM 962 HD22 LEU A 61 -2.050 -3.329 -4.674 1.00 1.36 H ATOM 963 HD23 LEU A 61 -0.542 -2.871 -5.468 1.00 1.50 H ATOM 964 N TYR A 62 1.309 -1.381 -9.197 1.00 0.68 N ATOM 965 CA TYR A 62 2.512 -1.323 -10.025 1.00 0.88 C ATOM 966 C TYR A 62 3.688 -2.060 -9.391 1.00 0.75 C ATOM 967 O TYR A 62 4.408 -2.792 -10.071 1.00 0.87 O ATOM 968 CB TYR A 62 2.898 0.134 -10.289 1.00 1.16 C ATOM 969 CG TYR A 62 3.887 0.301 -11.421 1.00 1.24 C ATOM 970 CD1 TYR A 62 3.463 0.296 -12.744 1.00 1.55 C ATOM 971 CD2 TYR A 62 5.243 0.464 -11.168 1.00 1.81 C ATOM 972 CE1 TYR A 62 4.362 0.447 -13.782 1.00 2.07 C ATOM 973 CE2 TYR A 62 6.148 0.616 -12.201 1.00 2.35 C ATOM 974 CZ TYR A 62 5.703 0.607 -13.505 1.00 2.38 C ATOM 975 OH TYR A 62 6.603 0.756 -14.534 1.00 3.08 O ATOM 976 H TYR A 62 1.297 -0.925 -8.330 1.00 0.88 H ATOM 977 HA TYR A 62 2.281 -1.793 -10.969 1.00 1.04 H ATOM 978 HB2 TYR A 62 2.011 0.695 -10.538 1.00 1.45 H ATOM 979 HB3 TYR A 62 3.342 0.549 -9.396 1.00 1.62 H ATOM 980 HD1 TYR A 62 2.411 0.171 -12.957 1.00 1.81 H ATOM 981 HD2 TYR A 62 5.590 0.471 -10.145 1.00 2.14 H ATOM 982 HE1 TYR A 62 4.013 0.441 -14.804 1.00 2.52 H ATOM 983 HE2 TYR A 62 7.199 0.741 -11.984 1.00 2.97 H ATOM 984 HH TYR A 62 7.426 0.318 -14.305 1.00 3.04 H ATOM 985 N TYR A 63 3.898 -1.850 -8.097 1.00 0.64 N ATOM 986 CA TYR A 63 5.011 -2.485 -7.397 1.00 0.62 C ATOM 987 C TYR A 63 4.603 -3.815 -6.765 1.00 0.63 C ATOM 988 O TYR A 63 3.557 -3.921 -6.124 1.00 0.73 O ATOM 989 CB TYR A 63 5.566 -1.534 -6.335 1.00 0.79 C ATOM 990 CG TYR A 63 6.200 -0.293 -6.925 1.00 1.02 C ATOM 991 CD1 TYR A 63 7.037 -0.381 -8.031 1.00 1.16 C ATOM 992 CD2 TYR A 63 5.960 0.964 -6.384 1.00 1.28 C ATOM 993 CE1 TYR A 63 7.617 0.747 -8.580 1.00 1.45 C ATOM 994 CE2 TYR A 63 6.535 2.097 -6.928 1.00 1.56 C ATOM 995 CZ TYR A 63 7.363 1.984 -8.026 1.00 1.60 C ATOM 996 OH TYR A 63 7.936 3.111 -8.570 1.00 1.93 O ATOM 997 H TYR A 63 3.305 -1.243 -7.607 1.00 0.69 H ATOM 998 HA TYR A 63 5.784 -2.676 -8.125 1.00 0.69 H ATOM 999 HB2 TYR A 63 4.763 -1.221 -5.684 1.00 0.89 H ATOM 1000 HB3 TYR A 63 6.317 -2.049 -5.753 1.00 0.86 H ATOM 1001 HD1 TYR A 63 7.233 -1.351 -8.465 1.00 1.16 H ATOM 1002 HD2 TYR A 63 5.312 1.050 -5.524 1.00 1.37 H ATOM 1003 HE1 TYR A 63 8.264 0.656 -9.440 1.00 1.64 H ATOM 1004 HE2 TYR A 63 6.336 3.066 -6.494 1.00 1.81 H ATOM 1005 HH TYR A 63 8.681 2.860 -9.123 1.00 1.90 H ATOM 1006 N ASN A 64 5.447 -4.829 -6.957 1.00 0.63 N ATOM 1007 CA ASN A 64 5.199 -6.162 -6.419 1.00 0.67 C ATOM 1008 C ASN A 64 6.216 -6.517 -5.341 1.00 0.49 C ATOM 1009 O ASN A 64 7.016 -5.682 -4.917 1.00 0.47 O ATOM 1010 CB ASN A 64 5.280 -7.205 -7.535 1.00 0.93 C ATOM 1011 CG ASN A 64 4.162 -7.062 -8.550 1.00 1.14 C ATOM 1012 OD1 ASN A 64 4.353 -6.492 -9.624 1.00 1.70 O ATOM 1013 ND2 ASN A 64 2.985 -7.579 -8.214 1.00 1.03 N ATOM 1014 H ASN A 64 6.258 -4.676 -7.478 1.00 0.66 H ATOM 1015 HA ASN A 64 4.209 -6.175 -5.991 1.00 0.81 H ATOM 1016 HB2 ASN A 64 6.226 -7.093 -8.045 1.00 0.94 H ATOM 1017 HB3 ASN A 64 5.227 -8.195 -7.102 1.00 1.14 H ATOM 1018 HD21 ASN A 64 2.903 -8.019 -7.343 1.00 1.13 H ATOM 1019 HD22 ASN A 64 2.245 -7.499 -8.853 1.00 1.18 H ATOM 1020 N LEU A 65 6.170 -7.770 -4.909 1.00 0.54 N ATOM 1021 CA LEU A 65 7.067 -8.281 -3.889 1.00 0.54 C ATOM 1022 C LEU A 65 8.534 -8.047 -4.248 1.00 0.66 C ATOM 1023 O LEU A 65 9.403 -8.064 -3.377 1.00 0.77 O ATOM 1024 CB LEU A 65 6.824 -9.779 -3.718 1.00 0.66 C ATOM 1025 CG LEU A 65 5.466 -10.162 -3.129 1.00 0.75 C ATOM 1026 CD1 LEU A 65 4.615 -10.865 -4.174 1.00 1.06 C ATOM 1027 CD2 LEU A 65 5.647 -11.050 -1.906 1.00 1.04 C ATOM 1028 H LEU A 65 5.506 -8.377 -5.289 1.00 0.70 H ATOM 1029 HA LEU A 65 6.842 -7.780 -2.962 1.00 0.51 H ATOM 1030 HB2 LEU A 65 6.915 -10.247 -4.687 1.00 0.85 H ATOM 1031 HB3 LEU A 65 7.592 -10.172 -3.081 1.00 1.03 H ATOM 1032 HG LEU A 65 4.947 -9.266 -2.821 1.00 0.81 H ATOM 1033 HD11 LEU A 65 4.806 -10.431 -5.145 1.00 1.66 H ATOM 1034 HD12 LEU A 65 3.571 -10.749 -3.927 1.00 1.45 H ATOM 1035 HD13 LEU A 65 4.866 -11.916 -4.195 1.00 1.52 H ATOM 1036 HD21 LEU A 65 6.620 -11.518 -1.943 1.00 1.35 H ATOM 1037 HD22 LEU A 65 4.881 -11.811 -1.898 1.00 1.34 H ATOM 1038 HD23 LEU A 65 5.569 -10.451 -1.011 1.00 1.51 H ATOM 1039 N ASP A 66 8.811 -7.859 -5.534 1.00 0.75 N ATOM 1040 CA ASP A 66 10.184 -7.659 -5.993 1.00 0.92 C ATOM 1041 C ASP A 66 10.488 -6.195 -6.303 1.00 0.87 C ATOM 1042 O ASP A 66 11.639 -5.767 -6.224 1.00 1.00 O ATOM 1043 CB ASP A 66 10.447 -8.510 -7.235 1.00 1.12 C ATOM 1044 CG ASP A 66 11.059 -9.855 -6.898 1.00 1.74 C ATOM 1045 OD1 ASP A 66 10.312 -10.753 -6.457 1.00 2.30 O ATOM 1046 OD2 ASP A 66 12.286 -10.010 -7.073 1.00 2.33 O ATOM 1047 H ASP A 66 8.084 -7.877 -6.191 1.00 0.77 H ATOM 1048 HA ASP A 66 10.843 -7.988 -5.205 1.00 0.99 H ATOM 1049 HB2 ASP A 66 9.514 -8.680 -7.751 1.00 1.47 H ATOM 1050 HB3 ASP A 66 11.124 -7.980 -7.890 1.00 1.51 H ATOM 1051 N ASP A 67 9.466 -5.433 -6.672 1.00 0.77 N ATOM 1052 CA ASP A 67 9.659 -4.026 -7.008 1.00 0.81 C ATOM 1053 C ASP A 67 9.819 -3.167 -5.759 1.00 0.69 C ATOM 1054 O ASP A 67 9.199 -3.427 -4.711 1.00 0.56 O ATOM 1055 CB ASP A 67 8.499 -3.508 -7.856 1.00 0.92 C ATOM 1056 CG ASP A 67 8.138 -4.458 -8.981 1.00 1.35 C ATOM 1057 OD1 ASP A 67 8.899 -5.422 -9.212 1.00 1.54 O ATOM 1058 OD2 ASP A 67 7.094 -4.240 -9.631 1.00 1.85 O ATOM 1059 H ASP A 67 8.570 -5.823 -6.730 1.00 0.74 H ATOM 1060 HA ASP A 67 10.567 -3.955 -7.587 1.00 0.89 H ATOM 1061 HB2 ASP A 67 7.633 -3.373 -7.227 1.00 0.88 H ATOM 1062 HB3 ASP A 67 8.775 -2.557 -8.288 1.00 0.99 H ATOM 1063 N ILE A 68 10.669 -2.144 -5.879 1.00 0.83 N ATOM 1064 CA ILE A 68 10.944 -1.224 -4.781 1.00 0.78 C ATOM 1065 C ILE A 68 10.134 0.050 -4.937 1.00 0.99 C ATOM 1066 O ILE A 68 10.057 0.622 -6.024 1.00 1.38 O ATOM 1067 CB ILE A 68 12.434 -0.826 -4.705 1.00 1.07 C ATOM 1068 CG1 ILE A 68 13.352 -2.071 -4.718 1.00 1.27 C ATOM 1069 CG2 ILE A 68 12.670 0.070 -3.488 1.00 1.06 C ATOM 1070 CD1 ILE A 68 13.721 -2.635 -3.352 1.00 1.10 C ATOM 1071 H ILE A 68 11.127 -2.009 -6.735 1.00 1.01 H ATOM 1072 HA ILE A 68 10.670 -1.699 -3.858 1.00 0.57 H ATOM 1073 HB ILE A 68 12.652 -0.232 -5.582 1.00 1.38 H ATOM 1074 HG12 ILE A 68 12.861 -2.857 -5.271 1.00 1.69 H ATOM 1075 HG13 ILE A 68 14.272 -1.814 -5.226 1.00 1.77 H ATOM 1076 HG21 ILE A 68 12.987 1.046 -3.823 1.00 1.52 H ATOM 1077 HG22 ILE A 68 13.431 -0.351 -2.853 1.00 1.52 H ATOM 1078 HG23 ILE A 68 11.748 0.169 -2.928 1.00 1.03 H ATOM 1079 HD11 ILE A 68 13.099 -2.181 -2.595 1.00 1.55 H ATOM 1080 HD12 ILE A 68 14.759 -2.425 -3.142 1.00 1.33 H ATOM 1081 HD13 ILE A 68 13.563 -3.708 -3.350 1.00 1.56 H ATOM 1082 N ALA A 69 9.545 0.499 -3.841 1.00 1.00 N ATOM 1083 CA ALA A 69 8.757 1.716 -3.854 1.00 1.34 C ATOM 1084 C ALA A 69 9.576 2.877 -3.307 1.00 1.19 C ATOM 1085 O ALA A 69 10.425 2.691 -2.426 1.00 1.68 O ATOM 1086 CB ALA A 69 7.479 1.530 -3.052 1.00 2.16 C ATOM 1087 H ALA A 69 9.652 0.005 -3.001 1.00 0.98 H ATOM 1088 HA ALA A 69 8.486 1.929 -4.879 1.00 1.64 H ATOM 1089 HB1 ALA A 69 6.824 2.372 -3.221 1.00 2.45 H ATOM 1090 HB2 ALA A 69 7.718 1.464 -2.002 1.00 2.65 H ATOM 1091 HB3 ALA A 69 6.986 0.622 -3.367 1.00 2.32 H ATOM 1092 N TYR A 70 9.326 4.069 -3.840 1.00 1.18 N ATOM 1093 CA TYR A 70 10.045 5.266 -3.416 1.00 1.38 C ATOM 1094 C TYR A 70 9.104 6.248 -2.725 1.00 1.17 C ATOM 1095 O TYR A 70 7.924 6.333 -3.063 1.00 1.21 O ATOM 1096 CB TYR A 70 10.717 5.947 -4.617 1.00 1.97 C ATOM 1097 CG TYR A 70 11.025 5.012 -5.770 1.00 2.80 C ATOM 1098 CD1 TYR A 70 11.621 3.778 -5.549 1.00 3.47 C ATOM 1099 CD2 TYR A 70 10.716 5.366 -7.078 1.00 3.17 C ATOM 1100 CE1 TYR A 70 11.904 2.922 -6.598 1.00 4.42 C ATOM 1101 CE2 TYR A 70 10.995 4.516 -8.132 1.00 4.07 C ATOM 1102 CZ TYR A 70 11.588 3.296 -7.887 1.00 4.67 C ATOM 1103 OH TYR A 70 11.868 2.447 -8.934 1.00 5.65 O ATOM 1104 H TYR A 70 8.644 4.144 -4.541 1.00 1.46 H ATOM 1105 HA TYR A 70 10.805 4.963 -2.714 1.00 1.84 H ATOM 1106 HB2 TYR A 70 10.066 6.724 -4.989 1.00 2.07 H ATOM 1107 HB3 TYR A 70 11.647 6.391 -4.293 1.00 2.26 H ATOM 1108 HD1 TYR A 70 11.867 3.487 -4.539 1.00 3.38 H ATOM 1109 HD2 TYR A 70 10.251 6.322 -7.268 1.00 2.90 H ATOM 1110 HE1 TYR A 70 12.368 1.967 -6.404 1.00 5.03 H ATOM 1111 HE2 TYR A 70 10.748 4.809 -9.142 1.00 4.40 H ATOM 1112 HH TYR A 70 11.391 1.622 -8.815 1.00 5.89 H ATOM 1113 N VAL A 71 9.636 6.989 -1.757 1.00 1.69 N ATOM 1114 CA VAL A 71 8.843 7.967 -1.019 1.00 2.02 C ATOM 1115 C VAL A 71 8.663 9.250 -1.823 1.00 2.00 C ATOM 1116 O VAL A 71 9.620 9.778 -2.389 1.00 2.35 O ATOM 1117 CB VAL A 71 9.489 8.313 0.337 1.00 2.95 C ATOM 1118 CG1 VAL A 71 8.536 9.136 1.191 1.00 3.18 C ATOM 1119 CG2 VAL A 71 9.913 7.047 1.067 1.00 3.61 C ATOM 1120 H VAL A 71 10.583 6.876 -1.533 1.00 2.12 H ATOM 1121 HA VAL A 71 7.872 7.535 -0.833 1.00 1.90 H ATOM 1122 HB VAL A 71 10.371 8.907 0.150 1.00 3.43 H ATOM 1123 HG11 VAL A 71 8.133 9.947 0.602 1.00 3.44 H ATOM 1124 HG12 VAL A 71 9.070 9.538 2.039 1.00 3.23 H ATOM 1125 HG13 VAL A 71 7.729 8.508 1.538 1.00 3.48 H ATOM 1126 HG21 VAL A 71 9.076 6.654 1.624 1.00 3.81 H ATOM 1127 HG22 VAL A 71 10.721 7.278 1.746 1.00 3.84 H ATOM 1128 HG23 VAL A 71 10.245 6.311 0.349 1.00 4.06 H ATOM 1129 N GLY A 72 7.431 9.747 -1.866 1.00 1.84 N ATOM 1130 CA GLY A 72 7.148 10.966 -2.601 1.00 1.87 C ATOM 1131 C GLY A 72 6.125 10.763 -3.704 1.00 1.57 C ATOM 1132 O GLY A 72 5.560 11.730 -4.216 1.00 1.63 O ATOM 1133 H GLY A 72 6.708 9.283 -1.394 1.00 1.92 H ATOM 1134 HA2 GLY A 72 6.774 11.708 -1.912 1.00 2.03 H ATOM 1135 HA3 GLY A 72 8.066 11.329 -3.040 1.00 2.03 H ATOM 1136 N LYS A 73 5.886 9.508 -4.075 1.00 1.31 N ATOM 1137 CA LYS A 73 4.924 9.196 -5.127 1.00 1.09 C ATOM 1138 C LYS A 73 4.019 8.030 -4.720 1.00 0.83 C ATOM 1139 O LYS A 73 4.501 6.992 -4.267 1.00 0.79 O ATOM 1140 CB LYS A 73 5.658 8.852 -6.426 1.00 1.27 C ATOM 1141 CG LYS A 73 5.649 9.976 -7.449 1.00 1.59 C ATOM 1142 CD LYS A 73 4.232 10.380 -7.819 1.00 1.98 C ATOM 1143 CE LYS A 73 4.194 11.144 -9.132 1.00 2.32 C ATOM 1144 NZ LYS A 73 3.475 10.386 -10.193 1.00 2.96 N ATOM 1145 H LYS A 73 6.366 8.777 -3.634 1.00 1.34 H ATOM 1146 HA LYS A 73 4.320 10.073 -5.290 1.00 1.15 H ATOM 1147 HB2 LYS A 73 6.686 8.614 -6.194 1.00 1.47 H ATOM 1148 HB3 LYS A 73 5.190 7.986 -6.871 1.00 1.46 H ATOM 1149 HG2 LYS A 73 6.161 10.832 -7.035 1.00 2.14 H ATOM 1150 HG3 LYS A 73 6.163 9.644 -8.340 1.00 1.69 H ATOM 1151 HD2 LYS A 73 3.628 9.491 -7.914 1.00 2.31 H ATOM 1152 HD3 LYS A 73 3.831 11.008 -7.036 1.00 2.57 H ATOM 1153 HE2 LYS A 73 3.691 12.086 -8.972 1.00 2.33 H ATOM 1154 HE3 LYS A 73 5.207 11.328 -9.457 1.00 2.84 H ATOM 1155 HZ1 LYS A 73 3.843 10.645 -11.130 1.00 3.33 H ATOM 1156 HZ2 LYS A 73 2.458 10.603 -10.159 1.00 3.29 H ATOM 1157 HZ3 LYS A 73 3.604 9.364 -10.051 1.00 3.29 H ATOM 1158 N PRO A 74 2.690 8.182 -4.882 1.00 0.75 N ATOM 1159 CA PRO A 74 1.721 7.133 -4.535 1.00 0.64 C ATOM 1160 C PRO A 74 2.092 5.784 -5.141 1.00 0.53 C ATOM 1161 O PRO A 74 2.937 5.710 -6.032 1.00 0.75 O ATOM 1162 CB PRO A 74 0.414 7.652 -5.133 1.00 0.77 C ATOM 1163 CG PRO A 74 0.571 9.130 -5.123 1.00 0.87 C ATOM 1164 CD PRO A 74 2.023 9.383 -5.421 1.00 0.91 C ATOM 1165 HA PRO A 74 1.616 7.029 -3.465 1.00 0.73 H ATOM 1166 HB2 PRO A 74 0.296 7.271 -6.137 1.00 0.81 H ATOM 1167 HB3 PRO A 74 -0.418 7.339 -4.520 1.00 0.86 H ATOM 1168 HG2 PRO A 74 -0.054 9.574 -5.885 1.00 0.96 H ATOM 1169 HG3 PRO A 74 0.316 9.520 -4.148 1.00 0.93 H ATOM 1170 HD2 PRO A 74 2.182 9.466 -6.487 1.00 1.01 H ATOM 1171 HD3 PRO A 74 2.365 10.273 -4.915 1.00 1.06 H ATOM 1172 N LEU A 75 1.468 4.717 -4.649 1.00 0.40 N ATOM 1173 CA LEU A 75 1.760 3.379 -5.150 1.00 0.49 C ATOM 1174 C LEU A 75 0.505 2.675 -5.667 1.00 0.46 C ATOM 1175 O LEU A 75 0.501 2.139 -6.775 1.00 0.62 O ATOM 1176 CB LEU A 75 2.403 2.548 -4.037 1.00 0.64 C ATOM 1177 CG LEU A 75 2.860 1.148 -4.445 1.00 0.86 C ATOM 1178 CD1 LEU A 75 3.975 0.667 -3.527 1.00 1.84 C ATOM 1179 CD2 LEU A 75 1.688 0.179 -4.418 1.00 1.32 C ATOM 1180 H LEU A 75 0.808 4.830 -3.933 1.00 0.46 H ATOM 1181 HA LEU A 75 2.463 3.475 -5.962 1.00 0.61 H ATOM 1182 HB2 LEU A 75 3.261 3.089 -3.665 1.00 1.17 H ATOM 1183 HB3 LEU A 75 1.687 2.448 -3.234 1.00 1.10 H ATOM 1184 HG LEU A 75 3.247 1.180 -5.453 1.00 1.37 H ATOM 1185 HD11 LEU A 75 3.545 0.177 -2.665 1.00 2.21 H ATOM 1186 HD12 LEU A 75 4.567 1.512 -3.203 1.00 2.29 H ATOM 1187 HD13 LEU A 75 4.604 -0.031 -4.060 1.00 2.38 H ATOM 1188 HD21 LEU A 75 1.553 -0.250 -5.399 1.00 1.74 H ATOM 1189 HD22 LEU A 75 0.791 0.707 -4.129 1.00 1.61 H ATOM 1190 HD23 LEU A 75 1.888 -0.607 -3.705 1.00 1.98 H ATOM 1191 N VAL A 76 -0.557 2.673 -4.867 1.00 0.32 N ATOM 1192 CA VAL A 76 -1.805 2.024 -5.269 1.00 0.29 C ATOM 1193 C VAL A 76 -3.027 2.806 -4.798 1.00 0.27 C ATOM 1194 O VAL A 76 -3.006 3.419 -3.732 1.00 0.35 O ATOM 1195 CB VAL A 76 -1.887 0.585 -4.721 1.00 0.36 C ATOM 1196 CG1 VAL A 76 -1.732 0.583 -3.209 1.00 0.37 C ATOM 1197 CG2 VAL A 76 -3.196 -0.079 -5.131 1.00 0.47 C ATOM 1198 H VAL A 76 -0.501 3.114 -3.990 1.00 0.32 H ATOM 1199 HA VAL A 76 -1.819 1.974 -6.348 1.00 0.35 H ATOM 1200 HB VAL A 76 -1.073 0.015 -5.143 1.00 0.50 H ATOM 1201 HG11 VAL A 76 -2.669 0.304 -2.751 1.00 1.07 H ATOM 1202 HG12 VAL A 76 -1.448 1.570 -2.876 1.00 1.13 H ATOM 1203 HG13 VAL A 76 -0.968 -0.126 -2.927 1.00 0.85 H ATOM 1204 HG21 VAL A 76 -3.608 0.431 -5.989 1.00 0.99 H ATOM 1205 HG22 VAL A 76 -3.898 -0.027 -4.312 1.00 1.09 H ATOM 1206 HG23 VAL A 76 -3.013 -1.113 -5.380 1.00 1.06 H ATOM 1207 N ASP A 77 -4.101 2.762 -5.586 1.00 0.30 N ATOM 1208 CA ASP A 77 -5.335 3.450 -5.230 1.00 0.41 C ATOM 1209 C ASP A 77 -6.401 2.442 -4.807 1.00 0.38 C ATOM 1210 O ASP A 77 -6.742 1.524 -5.559 1.00 0.41 O ATOM 1211 CB ASP A 77 -5.849 4.296 -6.397 1.00 0.58 C ATOM 1212 CG ASP A 77 -4.728 4.897 -7.226 1.00 0.78 C ATOM 1213 OD1 ASP A 77 -3.854 4.135 -7.689 1.00 1.10 O ATOM 1214 OD2 ASP A 77 -4.727 6.131 -7.411 1.00 0.87 O ATOM 1215 H ASP A 77 -4.066 2.247 -6.419 1.00 0.33 H ATOM 1216 HA ASP A 77 -5.122 4.094 -4.393 1.00 0.49 H ATOM 1217 HB2 ASP A 77 -6.455 3.677 -7.038 1.00 0.60 H ATOM 1218 HB3 ASP A 77 -6.455 5.102 -6.007 1.00 0.80 H ATOM 1219 N ILE A 78 -6.910 2.615 -3.593 1.00 0.44 N ATOM 1220 CA ILE A 78 -7.925 1.720 -3.044 1.00 0.42 C ATOM 1221 C ILE A 78 -9.043 2.511 -2.390 1.00 0.41 C ATOM 1222 O ILE A 78 -8.810 3.590 -1.857 1.00 0.51 O ATOM 1223 CB ILE A 78 -7.328 0.765 -1.992 1.00 0.42 C ATOM 1224 CG1 ILE A 78 -5.881 0.419 -2.347 1.00 0.53 C ATOM 1225 CG2 ILE A 78 -8.176 -0.490 -1.867 1.00 0.48 C ATOM 1226 CD1 ILE A 78 -4.877 1.364 -1.728 1.00 0.86 C ATOM 1227 H ILE A 78 -6.587 3.358 -3.044 1.00 0.53 H ATOM 1228 HA ILE A 78 -8.331 1.131 -3.852 1.00 0.41 H ATOM 1229 HB ILE A 78 -7.343 1.270 -1.038 1.00 0.41 H ATOM 1230 HG12 ILE A 78 -5.657 -0.578 -2.004 1.00 0.68 H ATOM 1231 HG13 ILE A 78 -5.759 0.465 -3.420 1.00 0.46 H ATOM 1232 HG21 ILE A 78 -9.078 -0.262 -1.319 1.00 1.14 H ATOM 1233 HG22 ILE A 78 -7.619 -1.250 -1.341 1.00 0.76 H ATOM 1234 HG23 ILE A 78 -8.434 -0.850 -2.851 1.00 1.18 H ATOM 1235 HD11 ILE A 78 -4.326 1.863 -2.511 1.00 1.21 H ATOM 1236 HD12 ILE A 78 -4.193 0.806 -1.105 1.00 1.58 H ATOM 1237 HD13 ILE A 78 -5.396 2.099 -1.127 1.00 1.13 H ATOM 1238 N GLU A 79 -10.253 1.973 -2.412 1.00 0.29 N ATOM 1239 CA GLU A 79 -11.380 2.656 -1.799 1.00 0.29 C ATOM 1240 C GLU A 79 -11.653 2.088 -0.416 1.00 0.47 C ATOM 1241 O GLU A 79 -12.013 0.925 -0.278 1.00 0.79 O ATOM 1242 CB GLU A 79 -12.626 2.525 -2.675 1.00 0.62 C ATOM 1243 CG GLU A 79 -13.293 3.855 -2.977 1.00 0.92 C ATOM 1244 CD GLU A 79 -14.469 3.715 -3.924 1.00 0.96 C ATOM 1245 OE1 GLU A 79 -14.240 3.409 -5.113 1.00 1.39 O ATOM 1246 OE2 GLU A 79 -15.618 3.909 -3.475 1.00 1.09 O ATOM 1247 H GLU A 79 -10.389 1.099 -2.838 1.00 0.27 H ATOM 1248 HA GLU A 79 -11.125 3.701 -1.704 1.00 0.48 H ATOM 1249 HB2 GLU A 79 -12.347 2.064 -3.612 1.00 1.22 H ATOM 1250 HB3 GLU A 79 -13.342 1.892 -2.172 1.00 0.83 H ATOM 1251 HG2 GLU A 79 -13.645 4.284 -2.051 1.00 1.28 H ATOM 1252 HG3 GLU A 79 -12.563 4.514 -3.425 1.00 1.58 H ATOM 1253 N THR A 80 -11.476 2.924 0.600 1.00 0.64 N ATOM 1254 CA THR A 80 -11.695 2.521 1.984 1.00 1.05 C ATOM 1255 C THR A 80 -12.460 3.600 2.736 1.00 1.00 C ATOM 1256 O THR A 80 -12.433 4.770 2.354 1.00 1.22 O ATOM 1257 CB THR A 80 -10.361 2.257 2.713 1.00 1.51 C ATOM 1258 OG1 THR A 80 -9.285 2.874 1.999 1.00 2.39 O ATOM 1259 CG2 THR A 80 -10.089 0.764 2.851 1.00 1.18 C ATOM 1260 H THR A 80 -11.186 3.841 0.414 1.00 0.65 H ATOM 1261 HA THR A 80 -12.274 1.608 1.983 1.00 1.16 H ATOM 1262 HB THR A 80 -10.418 2.688 3.702 1.00 2.09 H ATOM 1263 HG1 THR A 80 -9.001 2.298 1.286 1.00 2.86 H ATOM 1264 HG21 THR A 80 -10.994 0.211 2.647 1.00 1.52 H ATOM 1265 HG22 THR A 80 -9.754 0.548 3.857 1.00 1.43 H ATOM 1266 HG23 THR A 80 -9.323 0.472 2.147 1.00 1.41 H ATOM 1267 N GLU A 81 -13.142 3.210 3.806 1.00 1.27 N ATOM 1268 CA GLU A 81 -13.907 4.162 4.599 1.00 1.30 C ATOM 1269 C GLU A 81 -13.000 5.283 5.098 1.00 1.99 C ATOM 1270 O GLU A 81 -11.802 5.081 5.298 1.00 2.56 O ATOM 1271 CB GLU A 81 -14.573 3.458 5.784 1.00 1.53 C ATOM 1272 CG GLU A 81 -15.711 4.255 6.402 1.00 1.62 C ATOM 1273 CD GLU A 81 -17.004 3.467 6.474 1.00 2.40 C ATOM 1274 OE1 GLU A 81 -17.157 2.501 5.696 1.00 3.13 O ATOM 1275 OE2 GLU A 81 -17.866 3.815 7.309 1.00 2.85 O ATOM 1276 H GLU A 81 -13.129 2.266 4.067 1.00 1.69 H ATOM 1277 HA GLU A 81 -14.671 4.586 3.965 1.00 0.97 H ATOM 1278 HB2 GLU A 81 -14.965 2.510 5.449 1.00 2.00 H ATOM 1279 HB3 GLU A 81 -13.829 3.281 6.547 1.00 1.87 H ATOM 1280 HG2 GLU A 81 -15.428 4.546 7.403 1.00 2.08 H ATOM 1281 HG3 GLU A 81 -15.879 5.139 5.805 1.00 1.85 H ATOM 1282 N ALA A 82 -13.575 6.468 5.285 1.00 2.01 N ATOM 1283 CA ALA A 82 -12.820 7.633 5.747 1.00 2.67 C ATOM 1284 C ALA A 82 -11.822 7.269 6.845 1.00 3.02 C ATOM 1285 O ALA A 82 -12.210 6.940 7.966 1.00 3.10 O ATOM 1286 CB ALA A 82 -13.773 8.710 6.241 1.00 2.85 C ATOM 1287 H ALA A 82 -14.533 6.565 5.099 1.00 1.60 H ATOM 1288 HA ALA A 82 -12.278 8.031 4.902 1.00 2.85 H ATOM 1289 HB1 ALA A 82 -14.682 8.251 6.600 1.00 2.85 H ATOM 1290 HB2 ALA A 82 -14.006 9.384 5.430 1.00 2.88 H ATOM 1291 HB3 ALA A 82 -13.307 9.262 7.044 1.00 3.41 H ATOM 1292 N LEU A 83 -10.537 7.335 6.512 1.00 3.31 N ATOM 1293 CA LEU A 83 -9.482 7.018 7.468 1.00 3.73 C ATOM 1294 C LEU A 83 -8.508 8.184 7.614 1.00 4.31 C ATOM 1295 O LEU A 83 -7.908 8.632 6.637 1.00 4.31 O ATOM 1296 CB LEU A 83 -8.729 5.759 7.032 1.00 3.56 C ATOM 1297 CG LEU A 83 -8.661 4.650 8.084 1.00 3.51 C ATOM 1298 CD1 LEU A 83 -9.627 3.526 7.741 1.00 3.49 C ATOM 1299 CD2 LEU A 83 -7.242 4.115 8.204 1.00 3.60 C ATOM 1300 H LEU A 83 -10.291 7.607 5.603 1.00 3.27 H ATOM 1301 HA LEU A 83 -9.948 6.833 8.424 1.00 3.82 H ATOM 1302 HB2 LEU A 83 -9.213 5.362 6.151 1.00 3.50 H ATOM 1303 HB3 LEU A 83 -7.720 6.039 6.772 1.00 3.66 H ATOM 1304 HG LEU A 83 -8.947 5.056 9.044 1.00 3.97 H ATOM 1305 HD11 LEU A 83 -10.069 3.715 6.774 1.00 3.89 H ATOM 1306 HD12 LEU A 83 -10.405 3.477 8.489 1.00 3.51 H ATOM 1307 HD13 LEU A 83 -9.093 2.588 7.715 1.00 3.67 H ATOM 1308 HD21 LEU A 83 -7.265 3.035 8.230 1.00 3.95 H ATOM 1309 HD22 LEU A 83 -6.793 4.488 9.112 1.00 3.98 H ATOM 1310 HD23 LEU A 83 -6.660 4.442 7.355 1.00 3.44 H ATOM 1311 N LYS A 84 -8.354 8.668 8.843 1.00 4.85 N ATOM 1312 CA LYS A 84 -7.451 9.781 9.123 1.00 5.44 C ATOM 1313 C LYS A 84 -6.045 9.500 8.594 1.00 5.34 C ATOM 1314 O LYS A 84 -5.263 10.423 8.367 1.00 5.61 O ATOM 1315 CB LYS A 84 -7.394 10.052 10.628 1.00 6.29 C ATOM 1316 CG LYS A 84 -7.058 8.822 11.454 1.00 6.80 C ATOM 1317 CD LYS A 84 -6.495 9.202 12.815 1.00 7.13 C ATOM 1318 CE LYS A 84 -5.785 8.029 13.470 1.00 7.72 C ATOM 1319 NZ LYS A 84 -6.560 7.479 14.616 1.00 8.33 N ATOM 1320 H LYS A 84 -8.860 8.267 9.581 1.00 4.88 H ATOM 1321 HA LYS A 84 -7.841 10.656 8.624 1.00 5.45 H ATOM 1322 HB2 LYS A 84 -6.642 10.803 10.818 1.00 6.30 H ATOM 1323 HB3 LYS A 84 -8.355 10.425 10.951 1.00 6.78 H ATOM 1324 HG2 LYS A 84 -7.955 8.239 11.597 1.00 6.82 H ATOM 1325 HG3 LYS A 84 -6.324 8.233 10.923 1.00 7.17 H ATOM 1326 HD2 LYS A 84 -5.792 10.011 12.690 1.00 7.40 H ATOM 1327 HD3 LYS A 84 -7.306 9.522 13.452 1.00 6.86 H ATOM 1328 HE2 LYS A 84 -5.649 7.251 12.734 1.00 7.72 H ATOM 1329 HE3 LYS A 84 -4.820 8.361 13.824 1.00 7.90 H ATOM 1330 HZ1 LYS A 84 -6.892 6.518 14.395 1.00 8.57 H ATOM 1331 HZ2 LYS A 84 -7.384 8.081 14.814 1.00 8.34 H ATOM 1332 HZ3 LYS A 84 -5.962 7.440 15.467 1.00 8.71 H ATOM 1333 N ASP A 85 -5.726 8.218 8.413 1.00 5.08 N ATOM 1334 CA ASP A 85 -4.409 7.805 7.924 1.00 5.19 C ATOM 1335 C ASP A 85 -3.895 8.725 6.814 1.00 4.88 C ATOM 1336 O ASP A 85 -2.761 9.199 6.869 1.00 5.42 O ATOM 1337 CB ASP A 85 -4.467 6.364 7.413 1.00 4.91 C ATOM 1338 CG ASP A 85 -3.227 5.571 7.775 1.00 5.75 C ATOM 1339 OD1 ASP A 85 -2.133 6.172 7.829 1.00 6.12 O ATOM 1340 OD2 ASP A 85 -3.349 4.349 8.006 1.00 6.23 O ATOM 1341 H ASP A 85 -6.390 7.529 8.622 1.00 4.92 H ATOM 1342 HA ASP A 85 -3.722 7.850 8.755 1.00 5.89 H ATOM 1343 HB2 ASP A 85 -5.326 5.870 7.843 1.00 4.57 H ATOM 1344 HB3 ASP A 85 -4.565 6.374 6.337 1.00 4.68 H ATOM 1345 N LEU A 86 -4.732 8.973 5.812 1.00 4.16 N ATOM 1346 CA LEU A 86 -4.348 9.836 4.698 1.00 3.99 C ATOM 1347 C LEU A 86 -5.225 11.084 4.642 1.00 4.35 C ATOM 1348 O LEU A 86 -4.793 12.135 4.169 1.00 4.39 O ATOM 1349 CB LEU A 86 -4.444 9.076 3.373 1.00 3.28 C ATOM 1350 CG LEU A 86 -3.510 9.578 2.269 1.00 2.93 C ATOM 1351 CD1 LEU A 86 -2.152 8.900 2.363 1.00 3.28 C ATOM 1352 CD2 LEU A 86 -4.130 9.341 0.900 1.00 2.54 C ATOM 1353 H LEU A 86 -5.623 8.566 5.820 1.00 3.85 H ATOM 1354 HA LEU A 86 -3.324 10.140 4.854 1.00 4.47 H ATOM 1355 HB2 LEU A 86 -4.219 8.036 3.562 1.00 3.74 H ATOM 1356 HB3 LEU A 86 -5.459 9.148 3.015 1.00 3.10 H ATOM 1357 HG LEU A 86 -3.361 10.642 2.390 1.00 3.45 H ATOM 1358 HD11 LEU A 86 -1.465 9.372 1.676 1.00 3.51 H ATOM 1359 HD12 LEU A 86 -2.254 7.855 2.110 1.00 3.53 H ATOM 1360 HD13 LEU A 86 -1.773 8.990 3.371 1.00 3.69 H ATOM 1361 HD21 LEU A 86 -4.616 8.377 0.887 1.00 2.31 H ATOM 1362 HD22 LEU A 86 -3.358 9.366 0.146 1.00 2.63 H ATOM 1363 HD23 LEU A 86 -4.857 10.113 0.695 1.00 3.10 H ATOM 1364 N GLU A 87 -6.454 10.963 5.129 1.00 4.90 N ATOM 1365 CA GLU A 87 -7.386 12.082 5.134 1.00 5.65 C ATOM 1366 C GLU A 87 -8.350 11.979 6.311 1.00 5.80 C ATOM 1367 O GLU A 87 -9.230 11.094 6.278 1.00 5.45 O ATOM 1368 CB GLU A 87 -8.167 12.128 3.819 1.00 6.27 C ATOM 1369 CG GLU A 87 -7.382 12.733 2.666 1.00 6.31 C ATOM 1370 CD GLU A 87 -8.264 13.499 1.700 1.00 7.17 C ATOM 1371 OE1 GLU A 87 -8.873 12.859 0.816 1.00 7.41 O ATOM 1372 OE2 GLU A 87 -8.346 14.738 1.827 1.00 7.79 O ATOM 1373 H GLU A 87 -6.743 10.101 5.493 1.00 4.96 H ATOM 1374 HA GLU A 87 -6.811 12.991 5.232 1.00 6.00 H ATOM 1375 HB2 GLU A 87 -8.448 11.121 3.546 1.00 6.50 H ATOM 1376 HB3 GLU A 87 -9.061 12.715 3.965 1.00 6.79 H ATOM 1377 HG2 GLU A 87 -6.642 13.409 3.066 1.00 6.12 H ATOM 1378 HG3 GLU A 87 -6.888 11.938 2.127 1.00 6.19 H TER 1379 GLU A 87