USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) HEADER CELL CYCLE 18-MAR-14 2MMU TITLE STRUCTURE OF CRGA, A CELL DIVISION STRUCTURAL AND REGULATORY PROTEIN TITLE 2 FROM MYCOBACTERIUM TUBERCULOSIS, IN LIPID BILAYERS COMPND MOL_ID: 1; COMPND 2 MOLECULE: CELL DIVISION PROTEIN CRGA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; SOURCE 3 ORGANISM_TAXID: 1773; SOURCE 4 STRAIN: H37RV; SOURCE 5 GENE: CRGA, MT0014, MTCY10H4.11C, RV0011C; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET29B KEYWDS CRGA STRUCTURE, MEMBRANE PROTEIN, HYDRATED LIPID BILAYER, CELL CYCLE EXPDTA SOLID-STATE NMR AUTHOR N.DAS,J.DAI,I.HUNG,M.RAJAGOPALAN,H.ZHOU,T.A.CROSS REVDAT 3 25-MAR-15 2MMU 1 JRNL REVDAT 2 31-DEC-14 2MMU 1 AUTHOR EXPDTA JRNL TITLE REVDAT 1 17-DEC-14 2MMU 0 JRNL AUTH N.DAS,J.DAI,I.HUNG,M.R.RAJAGOPALAN,H.X.ZHOU,T.A.CROSS JRNL TITL STRUCTURE OF CRGA, A CELL DIVISION STRUCTURAL AND REGULATORY JRNL TITL 2 PROTEIN FROM MYCOBACTERIUM TUBERCULOSIS, IN LIPID BILAYERS. JRNL REF PROC.NATL.ACAD.SCI.USA V. 112 E119 2015 JRNL REFN ISSN 0027-8424 JRNL PMID 25548160 JRNL DOI 10.1073/PNAS.1415908112 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NAMD 2.9, X-PLOR_NIH REMARK 3 AUTHORS : (NAMD) PHILLIPS, BRAUN, WANG, GUMBART, REMARK 3 TAJKHORSHID, VILLA, CHIPOT, SKEEL, KALE AND REMARK 3 SCHULTEN (NAMD), SCHWIETERS, KUSZEWSKI, TJANDRA AND REMARK 3 CLORE (X-PLOR_NIH) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2MMU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-MAR-14. REMARK 100 THE RCSB ID CODE IS RCSB103803. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 289; 289 REMARK 210 PH : 8.0; 8.0 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : AMBIENT ATM; NULL REMARK 210 SAMPLE CONTENTS : 15NH4CL - 1.0/13C GLUCOSE - 2.0 REMARK 210 G/L [U-100% 13C; U-100% 15N] REMARK 210 CRGA, 200 MG/ML [U-15N]-LEU CRGA, REMARK 210 200 MG/ML [U-15N]-ALA CRGA, 200 REMARK 210 MG/ML [U-15N]-VAL CRGA, 200 MG/ML REMARK 210 [U-15N]-ILE CRGA, 200 MG/ML [U- REMARK 210 15N]-TRP CRGA, 200 MG/ML [U-15N]- REMARK 210 TYR CRGA, 200 MG/ML [U-15N]-MET REMARK 210 CRGA, 200 MG/ML [U-15N]-PHE CRGA, REMARK 210 200 MG/ML [U-15N]-THR CRGA, 200 REMARK 210 MG/ML [U-15N]-GLY CRGA, 200 MG/ML REMARK 210 [U-15N]-SER CRGA, 200 MG/ML [U- REMARK 210 15N]-ARG CRGA, 200 MG/ML [U-15N]- REMARK 210 ASN CRGA, NO ORGANIC SOLVENT REMARK 210 USED; 15NH4CL - 1.0/13C GLUCOSE - REMARK 210 2.0 G/L [U-100% 13C; U-100% 15N] REMARK 210 CRGA UNIFORM LABEL, 13C GLUCOSE REMARK 210 2.0 G/L [U-100% 13C] CRGA REVERSE REMARK 210 LABEL (TIFSW NOT LABELLED), 13C REMARK 210 GLUCOSE 2.0 G/L [U-100% 13C] CRGA REMARK 210 REVERSE LABEL (ILFYS NOT REMARK 210 LABELLED), NO ORGANIC SOLVENT USED REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D PISEMA; 2D 13C-13C DARR; 3D REMARK 210 NCACX,NCOCX,CAN(CO)CX REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 2.1, SPARKY 3.114, X- REMARK 210 PLOR_NIH 2.34 REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1000 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 217 REMARK 217 SOLID STATE NMR STUDY REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 217 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 1 REMARK 465 PRO A 2 REMARK 465 LYS A 3 REMARK 465 SER A 4 REMARK 465 LYS A 5 REMARK 465 VAL A 6 REMARK 465 ARG A 7 REMARK 465 LYS A 8 REMARK 465 LYS A 9 REMARK 465 ASN A 10 REMARK 465 ASP A 11 REMARK 465 PHE A 12 REMARK 465 THR A 13 REMARK 465 VAL A 14 REMARK 465 SER A 15 REMARK 465 ALA A 16 REMARK 465 VAL A 17 REMARK 465 SER A 18 REMARK 465 ARG A 19 REMARK 465 THR A 20 REMARK 465 PRO A 21 REMARK 465 MET A 22 REMARK 465 LYS A 23 REMARK 465 VAL A 24 REMARK 465 LYS A 25 REMARK 465 VAL A 26 REMARK 465 GLY A 27 REMARK 465 PRO A 28 REMARK 465 SER A 29 REMARK 465 ALA A 54 REMARK 465 ALA A 55 REMARK 465 ILE A 56 REMARK 465 GLY A 57 REMARK 465 SER A 58 REMARK 465 GLN A 59 REMARK 465 ALA A 60 REMARK 465 PRO A 61 REMARK 465 THR A 62 REMARK 465 ALA A 63 REMARK 465 LEU A 64 REMARK 465 ASN A 65 REMARK 465 TRP A 66 REMARK 465 MET A 67 REMARK 465 ALA A 68 REMARK 465 GLN A 69 REMARK 465 HIS A 96 REMARK 465 HIS A 97 REMARK 465 HIS A 98 REMARK 465 HIS A 99 REMARK 465 HIS A 100 REMARK 465 HIS A 101 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),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 PHE A 79 CG PHE A 79 CD1 0.094 REMARK 500 REMARK 500 REMARK: NULL 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 PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PHE A 33 CB - CG - CD2 ANGL. DEV. = 4.8 DEGREES REMARK 500 PHE A 33 CB - CG - CD1 ANGL. DEV. = -5.8 DEGREES REMARK 500 TYR A 75 CB - CG - CD1 ANGL. DEV. = 4.5 DEGREES REMARK 500 PHE A 81 CB - CG - CD2 ANGL. DEV. = 5.5 DEGREES REMARK 500 PHE A 81 CB - CG - CD1 ANGL. DEV. = -4.8 DEGREES REMARK 500 THR A 89 CA - CB - OG1 ANGL. DEV. = 13.3 DEGREES REMARK 500 THR A 89 CA - CB - CG2 ANGL. DEV. = -9.8 DEGREES REMARK 500 ARG A 91 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 94 144.52 -31.53 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR A 75 0.11 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 LEU A 48 24.0 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19867 RELATED DB: BMRB DBREF 2MMU A 1 93 UNP P67376 CRGA_MYCTU 1 93 SEQADV 2MMU LEU A 94 UNP P67376 EXPRESSION TAG SEQADV 2MMU GLU A 95 UNP P67376 EXPRESSION TAG SEQADV 2MMU HIS A 96 UNP P67376 EXPRESSION TAG SEQADV 2MMU HIS A 97 UNP P67376 EXPRESSION TAG SEQADV 2MMU HIS A 98 UNP P67376 EXPRESSION TAG SEQADV 2MMU HIS A 99 UNP P67376 EXPRESSION TAG SEQADV 2MMU HIS A 100 UNP P67376 EXPRESSION TAG SEQADV 2MMU HIS A 101 UNP P67376 EXPRESSION TAG SEQRES 1 A 101 MET PRO LYS SER LYS VAL ARG LYS LYS ASN ASP PHE THR SEQRES 2 A 101 VAL SER ALA VAL SER ARG THR PRO MET LYS VAL LYS VAL SEQRES 3 A 101 GLY PRO SER SER VAL TRP PHE VAL SER LEU PHE ILE GLY SEQRES 4 A 101 LEU MET LEU ILE GLY LEU ILE TRP LEU MET VAL PHE GLN SEQRES 5 A 101 LEU ALA ALA ILE GLY SER GLN ALA PRO THR ALA LEU ASN SEQRES 6 A 101 TRP MET ALA GLN LEU GLY PRO TRP ASN TYR ALA ILE ALA SEQRES 7 A 101 PHE ALA PHE MET ILE THR GLY LEU LEU LEU THR MET ARG SEQRES 8 A 101 TRP HIS LEU GLU HIS HIS HIS HIS HIS HIS HELIX 1 1 SER A 30 GLN A 52 1 23 HELIX 2 2 GLY A 71 ARG A 91 1 21 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 30 SER OG : rot 170:sc= 0.803 USER MOD Single : A 35 SER OG : rot 91:sc= 1.23 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 152:sc= -0.0235 (180deg=-1.43!) USER MOD Single : A 52 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.2) USER MOD Single : A 74 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.47) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 71:sc= 0.321 USER MOD Single : A 89 THR OG1 : rot -21:sc= 1.12 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -2.55! X(o=-2.5!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 30 11.928 13.817 -13.346 1.00 0.00 N ATOM 2 CA SER A 30 10.555 13.186 -13.257 1.00 0.00 C ATOM 3 C SER A 30 9.758 13.628 -12.025 1.00 0.00 C ATOM 4 O SER A 30 10.237 13.643 -10.905 1.00 0.00 O ATOM 5 CB SER A 30 10.611 11.630 -13.235 1.00 0.00 C ATOM 6 OG SER A 30 9.561 10.913 -12.579 1.00 0.00 O ATOM 0 HA SER A 30 10.053 13.535 -14.159 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.650 11.286 -14.269 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.552 11.340 -12.767 1.00 0.00 H new ATOM 0 HG SER A 30 9.641 9.958 -12.782 1.00 0.00 H new ATOM 12 N VAL A 31 8.548 13.985 -12.315 1.00 0.00 N ATOM 13 CA VAL A 31 7.600 14.486 -11.319 1.00 0.00 C ATOM 14 C VAL A 31 7.011 13.407 -10.375 1.00 0.00 C ATOM 15 O VAL A 31 6.802 13.583 -9.136 1.00 0.00 O ATOM 16 CB VAL A 31 6.387 15.230 -11.995 1.00 0.00 C ATOM 17 CG1 VAL A 31 5.408 15.924 -11.021 1.00 0.00 C ATOM 18 CG2 VAL A 31 6.933 16.376 -12.905 1.00 0.00 C ATOM 0 H VAL A 31 8.166 13.943 -13.260 1.00 0.00 H new ATOM 0 HA VAL A 31 8.203 15.166 -10.718 1.00 0.00 H new ATOM 0 HB VAL A 31 5.849 14.443 -12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.611 16.405 -11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.978 15.183 -10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.944 16.674 -10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.099 16.895 -13.376 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.504 17.080 -12.300 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.578 15.953 -13.675 1.00 0.00 H new ATOM 28 N TRP A 32 6.676 12.269 -10.946 1.00 0.00 N ATOM 29 CA TRP A 32 6.286 11.056 -10.156 1.00 0.00 C ATOM 30 C TRP A 32 7.508 10.576 -9.332 1.00 0.00 C ATOM 31 O TRP A 32 7.468 10.278 -8.149 1.00 0.00 O ATOM 32 CB TRP A 32 5.796 9.902 -11.065 1.00 0.00 C ATOM 33 CG TRP A 32 5.368 8.615 -10.378 1.00 0.00 C ATOM 34 CD1 TRP A 32 4.151 8.471 -9.865 1.00 0.00 C ATOM 35 CD2 TRP A 32 6.065 7.373 -10.178 1.00 0.00 C ATOM 36 NE1 TRP A 32 4.016 7.209 -9.321 1.00 0.00 N ATOM 37 CE2 TRP A 32 5.234 6.487 -9.534 1.00 0.00 C ATOM 38 CE3 TRP A 32 7.343 6.978 -10.598 1.00 0.00 C ATOM 39 CZ2 TRP A 32 5.645 5.198 -9.131 1.00 0.00 C ATOM 40 CZ3 TRP A 32 7.785 5.692 -10.263 1.00 0.00 C ATOM 41 CH2 TRP A 32 6.890 4.781 -9.592 1.00 0.00 C ATOM 0 H TRP A 32 6.657 12.130 -11.956 1.00 0.00 H new ATOM 0 HA TRP A 32 5.461 11.333 -9.500 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.954 10.268 -11.653 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.594 9.662 -11.767 1.00 0.00 H new ATOM 0 HD1 TRP A 32 3.381 9.229 -9.872 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.187 6.851 -8.847 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.971 7.649 -11.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.029 4.572 -8.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.791 5.384 -10.506 1.00 0.00 H new ATOM 0 HH2 TRP A 32 7.192 3.755 -9.444 1.00 0.00 H new ATOM 52 N PHE A 33 8.707 10.491 -9.883 1.00 0.00 N ATOM 53 CA PHE A 33 9.877 9.928 -9.159 1.00 0.00 C ATOM 54 C PHE A 33 10.173 10.819 -7.940 1.00 0.00 C ATOM 55 O PHE A 33 10.403 10.331 -6.819 1.00 0.00 O ATOM 56 CB PHE A 33 11.062 9.865 -10.116 1.00 0.00 C ATOM 57 CG PHE A 33 12.342 9.300 -9.400 1.00 0.00 C ATOM 58 CD1 PHE A 33 12.390 7.899 -9.288 1.00 0.00 C ATOM 59 CD2 PHE A 33 13.328 10.054 -8.814 1.00 0.00 C ATOM 60 CE1 PHE A 33 13.403 7.225 -8.517 1.00 0.00 C ATOM 61 CE2 PHE A 33 14.311 9.445 -8.006 1.00 0.00 C ATOM 62 CZ PHE A 33 14.405 8.066 -7.869 1.00 0.00 C ATOM 0 H PHE A 33 8.915 10.801 -10.832 1.00 0.00 H new ATOM 0 HA PHE A 33 9.676 8.918 -8.803 1.00 0.00 H new ATOM 0 HB2 PHE A 33 10.811 9.234 -10.969 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.271 10.861 -10.507 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.642 7.309 -9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.351 11.122 -8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.420 6.149 -8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.014 10.072 -7.477 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.205 7.624 -7.294 1.00 0.00 H new ATOM 72 N VAL A 34 10.178 12.147 -8.108 1.00 0.00 N ATOM 73 CA VAL A 34 10.278 13.074 -7.024 1.00 0.00 C ATOM 74 C VAL A 34 9.182 12.947 -6.006 1.00 0.00 C ATOM 75 O VAL A 34 9.472 12.938 -4.817 1.00 0.00 O ATOM 76 CB VAL A 34 10.421 14.515 -7.488 1.00 0.00 C ATOM 77 CG1 VAL A 34 10.468 15.548 -6.329 1.00 0.00 C ATOM 78 CG2 VAL A 34 11.762 14.590 -8.294 1.00 0.00 C ATOM 0 H VAL A 34 10.111 12.593 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 34 11.202 12.793 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 34 9.545 14.775 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.571 16.552 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.547 15.486 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.319 15.332 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.915 15.608 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.592 14.305 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.714 13.910 -9.144 1.00 0.00 H new ATOM 88 N SER A 35 7.963 12.812 -6.439 1.00 0.00 N ATOM 89 CA SER A 35 6.902 12.508 -5.547 1.00 0.00 C ATOM 90 C SER A 35 7.080 11.237 -4.766 1.00 0.00 C ATOM 91 O SER A 35 6.738 11.197 -3.593 1.00 0.00 O ATOM 92 CB SER A 35 5.539 12.370 -6.378 1.00 0.00 C ATOM 93 OG SER A 35 5.177 13.514 -7.060 1.00 0.00 O ATOM 0 H SER A 35 7.685 12.910 -7.416 1.00 0.00 H new ATOM 0 HA SER A 35 6.884 13.329 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.642 11.552 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.735 12.098 -5.694 1.00 0.00 H new ATOM 0 HG SER A 35 5.563 13.494 -7.961 1.00 0.00 H new ATOM 99 N LEU A 36 7.525 10.167 -5.337 1.00 0.00 N ATOM 100 CA LEU A 36 7.695 8.896 -4.717 1.00 0.00 C ATOM 101 C LEU A 36 8.683 9.053 -3.608 1.00 0.00 C ATOM 102 O LEU A 36 8.458 8.467 -2.515 1.00 0.00 O ATOM 103 CB LEU A 36 8.325 7.926 -5.713 1.00 0.00 C ATOM 104 CG LEU A 36 8.798 6.566 -5.213 1.00 0.00 C ATOM 105 CD1 LEU A 36 7.585 5.718 -4.813 1.00 0.00 C ATOM 106 CD2 LEU A 36 9.583 5.776 -6.325 1.00 0.00 C ATOM 0 H LEU A 36 7.799 10.158 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 36 6.729 8.530 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.600 7.752 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.180 8.427 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 36 9.459 6.745 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.923 4.745 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.033 6.224 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.936 5.581 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.903 4.812 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.933 5.617 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.457 6.351 -6.631 1.00 0.00 H new ATOM 118 N PHE A 37 9.798 9.790 -3.894 1.00 0.00 N ATOM 119 CA PHE A 37 10.923 10.081 -3.030 1.00 0.00 C ATOM 120 C PHE A 37 10.635 10.862 -1.773 1.00 0.00 C ATOM 121 O PHE A 37 11.057 10.566 -0.656 1.00 0.00 O ATOM 122 CB PHE A 37 12.037 10.747 -3.913 1.00 0.00 C ATOM 123 CG PHE A 37 13.360 10.994 -3.251 1.00 0.00 C ATOM 124 CD1 PHE A 37 13.776 10.153 -2.261 1.00 0.00 C ATOM 125 CD2 PHE A 37 14.100 12.226 -3.504 1.00 0.00 C ATOM 126 CE1 PHE A 37 14.980 10.415 -1.582 1.00 0.00 C ATOM 127 CE2 PHE A 37 15.201 12.543 -2.802 1.00 0.00 C ATOM 128 CZ PHE A 37 15.646 11.626 -1.811 1.00 0.00 C ATOM 0 H PHE A 37 9.916 10.217 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 37 11.254 9.130 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.205 10.114 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.656 11.700 -4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 37 13.183 9.289 -1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.754 12.899 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 37 15.386 9.690 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 37 15.731 13.466 -2.985 1.00 0.00 H new ATOM 0 HZ PHE A 37 16.518 11.869 -1.221 1.00 0.00 H new ATOM 138 N ILE A 38 9.733 11.898 -1.901 1.00 0.00 N ATOM 139 CA ILE A 38 9.030 12.586 -0.824 1.00 0.00 C ATOM 140 C ILE A 38 8.250 11.604 -0.023 1.00 0.00 C ATOM 141 O ILE A 38 8.332 11.551 1.202 1.00 0.00 O ATOM 142 CB ILE A 38 8.138 13.694 -1.485 1.00 0.00 C ATOM 143 CG1 ILE A 38 9.108 14.807 -2.075 1.00 0.00 C ATOM 144 CG2 ILE A 38 7.079 14.154 -0.380 1.00 0.00 C ATOM 145 CD1 ILE A 38 8.446 15.907 -2.898 1.00 0.00 C ATOM 0 H ILE A 38 9.485 12.272 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 38 9.717 13.064 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 38 7.544 13.370 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.640 15.273 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.855 14.315 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.433 14.928 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.474 13.299 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.607 14.549 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.205 16.607 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.939 15.465 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.720 16.437 -2.281 1.00 0.00 H new ATOM 157 N GLY A 39 7.501 10.667 -0.627 1.00 0.00 N ATOM 158 CA GLY A 39 6.744 9.680 0.126 1.00 0.00 C ATOM 159 C GLY A 39 7.633 8.679 0.910 1.00 0.00 C ATOM 160 O GLY A 39 7.296 8.261 2.066 1.00 0.00 O ATOM 0 H GLY A 39 7.410 10.581 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.088 10.196 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.105 9.125 -0.560 1.00 0.00 H new ATOM 164 N LEU A 40 8.763 8.220 0.341 1.00 0.00 N ATOM 165 CA LEU A 40 9.718 7.435 1.112 1.00 0.00 C ATOM 166 C LEU A 40 10.404 8.070 2.237 1.00 0.00 C ATOM 167 O LEU A 40 10.713 7.502 3.326 1.00 0.00 O ATOM 168 CB LEU A 40 10.760 6.814 0.171 1.00 0.00 C ATOM 169 CG LEU A 40 10.406 5.456 -0.592 1.00 0.00 C ATOM 170 CD1 LEU A 40 11.451 5.137 -1.716 1.00 0.00 C ATOM 171 CD2 LEU A 40 10.542 4.301 0.483 1.00 0.00 C ATOM 0 H LEU A 40 9.025 8.380 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 40 9.079 6.697 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.007 7.560 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.665 6.638 0.753 1.00 0.00 H new ATOM 0 HG LEU A 40 9.415 5.540 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.178 4.206 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.461 5.948 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.442 5.035 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.311 3.342 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.561 4.281 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.847 4.484 1.303 1.00 0.00 H new ATOM 183 N MET A 41 10.819 9.327 2.007 1.00 0.00 N ATOM 184 CA MET A 41 11.297 10.318 2.994 1.00 0.00 C ATOM 185 C MET A 41 10.339 10.613 4.135 1.00 0.00 C ATOM 186 O MET A 41 10.728 10.508 5.308 1.00 0.00 O ATOM 187 CB MET A 41 11.769 11.611 2.285 1.00 0.00 C ATOM 188 CG MET A 41 13.194 11.358 1.726 1.00 0.00 C ATOM 189 SD MET A 41 14.433 11.333 3.008 1.00 0.00 S ATOM 190 CE MET A 41 15.940 11.554 1.999 1.00 0.00 C ATOM 0 H MET A 41 10.831 9.707 1.061 1.00 0.00 H new ATOM 0 HA MET A 41 12.149 9.847 3.485 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.085 11.875 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.777 12.448 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.208 10.408 1.192 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.440 12.134 1.002 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.815 11.561 2.649 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.024 10.734 1.286 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.881 12.499 1.459 1.00 0.00 H new ATOM 200 N LEU A 42 9.025 10.693 3.821 1.00 0.00 N ATOM 201 CA LEU A 42 7.992 10.687 4.755 1.00 0.00 C ATOM 202 C LEU A 42 7.906 9.344 5.497 1.00 0.00 C ATOM 203 O LEU A 42 7.790 9.287 6.717 1.00 0.00 O ATOM 204 CB LEU A 42 6.586 11.268 4.221 1.00 0.00 C ATOM 205 CG LEU A 42 6.563 12.718 3.764 1.00 0.00 C ATOM 206 CD1 LEU A 42 5.435 12.953 2.814 1.00 0.00 C ATOM 207 CD2 LEU A 42 6.538 13.764 4.877 1.00 0.00 C ATOM 0 H LEU A 42 8.694 10.765 2.859 1.00 0.00 H new ATOM 0 HA LEU A 42 8.262 11.427 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.258 10.646 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.849 11.152 5.016 1.00 0.00 H new ATOM 0 HG LEU A 42 7.522 12.859 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.436 13.996 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.554 12.310 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.490 12.724 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.523 14.762 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.647 13.623 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.426 13.655 5.499 1.00 0.00 H new ATOM 219 N ILE A 43 8.023 8.173 4.770 1.00 0.00 N ATOM 220 CA ILE A 43 7.886 6.823 5.461 1.00 0.00 C ATOM 221 C ILE A 43 9.035 6.599 6.453 1.00 0.00 C ATOM 222 O ILE A 43 8.931 6.064 7.575 1.00 0.00 O ATOM 223 CB ILE A 43 7.492 5.655 4.472 1.00 0.00 C ATOM 224 CG1 ILE A 43 6.364 4.756 5.015 1.00 0.00 C ATOM 225 CG2 ILE A 43 8.723 4.771 4.097 1.00 0.00 C ATOM 226 CD1 ILE A 43 5.878 3.647 4.041 1.00 0.00 C ATOM 0 H ILE A 43 8.201 8.129 3.767 1.00 0.00 H new ATOM 0 HA ILE A 43 7.008 6.821 6.106 1.00 0.00 H new ATOM 0 HB ILE A 43 7.121 6.153 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.708 4.284 5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.514 5.385 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.409 3.980 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.480 5.388 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.141 4.327 5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.084 3.069 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.498 4.106 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.710 2.987 3.796 1.00 0.00 H new ATOM 238 N GLY A 44 10.236 6.960 6.039 1.00 0.00 N ATOM 239 CA GLY A 44 11.453 7.073 6.816 1.00 0.00 C ATOM 240 C GLY A 44 11.377 7.929 8.081 1.00 0.00 C ATOM 241 O GLY A 44 11.831 7.611 9.174 1.00 0.00 O ATOM 0 H GLY A 44 10.397 7.203 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.770 6.070 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.232 7.483 6.173 1.00 0.00 H new ATOM 245 N LEU A 45 10.729 9.101 8.003 1.00 0.00 N ATOM 246 CA LEU A 45 10.235 9.871 9.122 1.00 0.00 C ATOM 247 C LEU A 45 9.157 9.246 10.032 1.00 0.00 C ATOM 248 O LEU A 45 9.140 9.310 11.233 1.00 0.00 O ATOM 249 CB LEU A 45 9.837 11.188 8.566 1.00 0.00 C ATOM 250 CG LEU A 45 9.409 12.266 9.494 1.00 0.00 C ATOM 251 CD1 LEU A 45 10.551 13.018 10.243 1.00 0.00 C ATOM 252 CD2 LEU A 45 8.757 13.312 8.705 1.00 0.00 C ATOM 0 H LEU A 45 10.533 9.547 7.107 1.00 0.00 H new ATOM 0 HA LEU A 45 11.046 9.936 9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.679 11.568 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.021 11.015 7.865 1.00 0.00 H new ATOM 0 HG LEU A 45 8.788 11.757 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.120 13.781 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.119 12.309 10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.213 13.490 9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.433 14.117 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.460 13.706 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.892 12.894 8.191 1.00 0.00 H new ATOM 264 N ILE A 46 8.080 8.592 9.429 1.00 0.00 N ATOM 265 CA ILE A 46 7.012 7.788 10.089 1.00 0.00 C ATOM 266 C ILE A 46 7.486 6.623 10.893 1.00 0.00 C ATOM 267 O ILE A 46 7.048 6.490 12.001 1.00 0.00 O ATOM 268 CB ILE A 46 5.840 7.412 9.241 1.00 0.00 C ATOM 269 CG1 ILE A 46 5.094 8.663 8.756 1.00 0.00 C ATOM 270 CG2 ILE A 46 4.772 6.483 9.935 1.00 0.00 C ATOM 271 CD1 ILE A 46 3.934 8.431 7.732 1.00 0.00 C ATOM 0 H ILE A 46 7.948 8.628 8.418 1.00 0.00 H new ATOM 0 HA ILE A 46 6.637 8.528 10.797 1.00 0.00 H new ATOM 0 HB ILE A 46 6.288 6.848 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.683 9.174 9.627 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.819 9.338 8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.964 6.270 9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.245 5.549 10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.367 6.987 10.813 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.486 9.389 7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.330 7.955 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.176 7.788 8.180 1.00 0.00 H new ATOM 283 N TRP A 47 8.495 5.797 10.386 1.00 0.00 N ATOM 284 CA TRP A 47 9.203 4.789 11.223 1.00 0.00 C ATOM 285 C TRP A 47 9.852 5.315 12.479 1.00 0.00 C ATOM 286 O TRP A 47 9.781 4.675 13.512 1.00 0.00 O ATOM 287 CB TRP A 47 10.393 4.211 10.368 1.00 0.00 C ATOM 288 CG TRP A 47 11.009 2.966 11.009 1.00 0.00 C ATOM 289 CD1 TRP A 47 12.190 2.854 11.653 1.00 0.00 C ATOM 290 CD2 TRP A 47 10.312 1.701 11.122 1.00 0.00 C ATOM 291 NE1 TRP A 47 12.345 1.601 12.163 1.00 0.00 N ATOM 292 CE2 TRP A 47 11.252 0.811 11.790 1.00 0.00 C ATOM 293 CE3 TRP A 47 9.079 1.158 10.677 1.00 0.00 C ATOM 294 CZ2 TRP A 47 10.930 -0.571 11.877 1.00 0.00 C ATOM 295 CZ3 TRP A 47 8.764 -0.186 10.917 1.00 0.00 C ATOM 296 CH2 TRP A 47 9.756 -1.026 11.438 1.00 0.00 C ATOM 0 H TRP A 47 8.813 5.827 9.417 1.00 0.00 H new ATOM 0 HA TRP A 47 8.434 4.076 11.518 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.035 3.964 9.369 1.00 0.00 H new ATOM 0 HB3 TRP A 47 11.161 4.976 10.252 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.914 3.650 11.750 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.134 1.287 12.728 1.00 0.00 H new ATOM 0 HE3 TRP A 47 8.377 1.786 10.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 11.644 -1.260 12.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.776 -0.567 10.704 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.562 -2.087 11.486 1.00 0.00 H new ATOM 307 N LEU A 48 10.406 6.483 12.405 1.00 0.00 N ATOM 308 CA LEU A 48 10.865 7.316 13.517 1.00 0.00 C ATOM 309 C LEU A 48 9.754 7.758 14.441 1.00 0.00 C ATOM 310 O LEU A 48 9.928 7.732 15.638 1.00 0.00 O ATOM 311 CB LEU A 48 11.997 8.356 13.140 1.00 0.00 C ATOM 312 CG LEU A 48 13.184 7.812 12.422 1.00 0.00 C ATOM 313 CD1 LEU A 48 14.023 8.944 11.781 1.00 0.00 C ATOM 314 CD2 LEU A 48 14.126 6.900 13.231 1.00 0.00 C ATOM 0 H LEU A 48 10.571 6.931 11.504 1.00 0.00 H new ATOM 0 HA LEU A 48 11.436 6.665 14.179 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.552 9.136 12.522 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.342 8.833 14.057 1.00 0.00 H new ATOM 0 HG LEU A 48 12.730 7.170 11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.881 8.513 11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.409 9.493 11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.371 9.624 12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.948 6.571 12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.524 7.452 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.573 6.031 13.588 1.00 0.00 H new ATOM 326 N MET A 49 8.577 8.151 13.922 1.00 0.00 N ATOM 327 CA MET A 49 7.434 8.423 14.774 1.00 0.00 C ATOM 328 C MET A 49 6.796 7.266 15.450 1.00 0.00 C ATOM 329 O MET A 49 6.221 7.448 16.576 1.00 0.00 O ATOM 330 CB MET A 49 6.327 9.255 14.061 1.00 0.00 C ATOM 331 CG MET A 49 6.894 10.475 13.364 1.00 0.00 C ATOM 332 SD MET A 49 7.660 11.698 14.557 1.00 0.00 S ATOM 333 CE MET A 49 8.463 12.543 13.205 1.00 0.00 C ATOM 0 H MET A 49 8.405 8.283 12.925 1.00 0.00 H new ATOM 0 HA MET A 49 7.908 9.004 15.565 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.814 8.627 13.333 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.582 9.569 14.792 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.646 10.159 12.641 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.101 10.969 12.803 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.609 13.591 13.467 1.00 0.00 H new ATOM 0 HE2 MET A 49 9.430 12.079 13.009 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.841 12.475 12.313 1.00 0.00 H new ATOM 343 N VAL A 50 6.870 6.055 14.879 1.00 0.00 N ATOM 344 CA VAL A 50 6.466 4.786 15.584 1.00 0.00 C ATOM 345 C VAL A 50 7.431 4.419 16.810 1.00 0.00 C ATOM 346 O VAL A 50 6.986 4.302 17.964 1.00 0.00 O ATOM 347 CB VAL A 50 6.238 3.635 14.605 1.00 0.00 C ATOM 348 CG1 VAL A 50 5.767 2.385 15.292 1.00 0.00 C ATOM 349 CG2 VAL A 50 5.113 4.049 13.625 1.00 0.00 C ATOM 0 H VAL A 50 7.205 5.906 13.927 1.00 0.00 H new ATOM 0 HA VAL A 50 5.497 4.974 16.046 1.00 0.00 H new ATOM 0 HB VAL A 50 7.188 3.434 14.109 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.620 1.597 14.553 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.514 2.066 16.019 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.825 2.584 15.803 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.933 3.241 12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.200 4.251 14.184 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.414 4.946 13.084 1.00 0.00 H new ATOM 359 N PHE A 51 8.744 4.268 16.502 1.00 0.00 N ATOM 360 CA PHE A 51 9.634 3.694 17.481 1.00 0.00 C ATOM 361 C PHE A 51 10.514 4.591 18.300 1.00 0.00 C ATOM 362 O PHE A 51 11.126 4.158 19.233 1.00 0.00 O ATOM 363 CB PHE A 51 10.448 2.509 16.812 1.00 0.00 C ATOM 364 CG PHE A 51 9.572 1.337 16.509 1.00 0.00 C ATOM 365 CD1 PHE A 51 9.105 0.535 17.546 1.00 0.00 C ATOM 366 CD2 PHE A 51 9.321 0.979 15.231 1.00 0.00 C ATOM 367 CE1 PHE A 51 8.283 -0.566 17.299 1.00 0.00 C ATOM 368 CE2 PHE A 51 8.607 -0.225 14.903 1.00 0.00 C ATOM 369 CZ PHE A 51 7.987 -0.945 15.985 1.00 0.00 C ATOM 0 H PHE A 51 9.174 4.530 15.615 1.00 0.00 H new ATOM 0 HA PHE A 51 8.956 3.345 18.260 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.914 2.862 15.892 1.00 0.00 H new ATOM 0 HB3 PHE A 51 11.253 2.199 17.479 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.384 0.769 18.563 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.667 1.617 14.431 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.874 -1.128 18.126 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.538 -0.576 13.884 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.308 -1.761 15.786 1.00 0.00 H new ATOM 379 N GLN A 52 10.622 5.930 17.951 1.00 0.00 N ATOM 380 CA GLN A 52 11.721 6.729 18.507 1.00 0.00 C ATOM 381 C GLN A 52 11.332 8.098 19.005 1.00 0.00 C ATOM 382 O GLN A 52 11.917 8.645 19.937 1.00 0.00 O ATOM 383 CB GLN A 52 12.791 6.872 17.366 1.00 0.00 C ATOM 384 CG GLN A 52 13.485 5.547 16.981 1.00 0.00 C ATOM 385 CD GLN A 52 14.208 4.804 18.169 1.00 0.00 C ATOM 386 OE1 GLN A 52 13.857 3.762 18.733 1.00 0.00 O ATOM 387 NE2 GLN A 52 15.260 5.526 18.611 1.00 0.00 N ATOM 0 H GLN A 52 9.989 6.427 17.324 1.00 0.00 H new ATOM 0 HA GLN A 52 12.092 6.210 19.391 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.309 7.288 16.481 1.00 0.00 H new ATOM 0 HB3 GLN A 52 13.549 7.588 17.682 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.741 4.876 16.552 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.218 5.752 16.201 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.530 6.383 18.128 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.785 5.215 19.428 1.00 0.00 H new ATOM 396 N LEU A 53 10.271 8.703 18.417 1.00 0.00 N ATOM 397 CA LEU A 53 9.974 10.058 18.692 1.00 0.00 C ATOM 398 C LEU A 53 8.689 10.202 19.465 1.00 0.00 C ATOM 399 O LEU A 53 7.662 9.957 18.809 1.00 0.00 O ATOM 400 CB LEU A 53 10.107 10.796 17.401 1.00 0.00 C ATOM 401 CG LEU A 53 11.518 10.934 16.735 1.00 0.00 C ATOM 402 CD1 LEU A 53 11.430 11.293 15.247 1.00 0.00 C ATOM 403 CD2 LEU A 53 12.372 11.943 17.450 1.00 0.00 C ATOM 0 H LEU A 53 9.636 8.248 17.762 1.00 0.00 H new ATOM 0 HA LEU A 53 10.676 10.524 19.384 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.450 10.312 16.678 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.720 11.803 17.559 1.00 0.00 H new ATOM 0 HG LEU A 53 11.986 9.953 16.818 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.435 11.377 14.833 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.883 10.514 14.716 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.910 12.244 15.132 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.343 12.011 16.959 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.883 12.917 17.424 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.510 11.634 18.486 1.00 0.00 H new ATOM 415 N LEU A 70 4.375 15.847 20.376 1.00 0.00 N ATOM 416 CA LEU A 70 3.264 14.947 20.914 1.00 0.00 C ATOM 417 C LEU A 70 2.345 14.310 19.902 1.00 0.00 C ATOM 418 O LEU A 70 2.387 14.471 18.652 1.00 0.00 O ATOM 419 CB LEU A 70 2.496 15.901 21.846 1.00 0.00 C ATOM 420 CG LEU A 70 3.306 16.423 23.037 1.00 0.00 C ATOM 421 CD1 LEU A 70 2.520 17.537 23.692 1.00 0.00 C ATOM 422 CD2 LEU A 70 3.389 15.347 24.076 1.00 0.00 C ATOM 0 HA LEU A 70 3.693 14.062 21.384 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.144 16.752 21.263 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.613 15.386 22.223 1.00 0.00 H new ATOM 0 HG LEU A 70 4.289 16.742 22.691 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.079 17.924 24.544 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.355 18.338 22.972 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.559 17.152 24.033 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.964 15.708 24.929 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.384 15.079 24.403 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.879 14.470 23.653 1.00 0.00 H new ATOM 434 N GLY A 71 1.334 13.611 20.381 1.00 0.00 N ATOM 435 CA GLY A 71 0.321 12.999 19.598 1.00 0.00 C ATOM 436 C GLY A 71 -0.267 13.649 18.360 1.00 0.00 C ATOM 437 O GLY A 71 -0.160 13.154 17.262 1.00 0.00 O ATOM 0 H GLY A 71 1.206 13.457 21.381 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.714 12.032 19.284 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.514 12.801 20.270 1.00 0.00 H new ATOM 441 N PRO A 72 -0.848 14.839 18.509 1.00 0.00 N ATOM 442 CA PRO A 72 -1.601 15.406 17.365 1.00 0.00 C ATOM 443 C PRO A 72 -0.708 15.880 16.220 1.00 0.00 C ATOM 444 O PRO A 72 -1.090 15.715 15.079 1.00 0.00 O ATOM 445 CB PRO A 72 -2.320 16.518 18.101 1.00 0.00 C ATOM 446 CG PRO A 72 -2.649 16.053 19.531 1.00 0.00 C ATOM 447 CD PRO A 72 -1.430 15.231 19.856 1.00 0.00 C ATOM 0 HA PRO A 72 -2.250 14.711 16.832 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.697 17.412 18.131 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.236 16.786 17.574 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.776 16.890 20.217 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.566 15.465 19.572 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.713 15.804 20.444 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.693 14.351 20.443 1.00 0.00 H new ATOM 455 N TRP A 73 0.446 16.324 16.554 1.00 0.00 N ATOM 456 CA TRP A 73 1.610 16.566 15.604 1.00 0.00 C ATOM 457 C TRP A 73 2.131 15.301 14.899 1.00 0.00 C ATOM 458 O TRP A 73 2.355 15.209 13.689 1.00 0.00 O ATOM 459 CB TRP A 73 2.764 17.356 16.375 1.00 0.00 C ATOM 460 CG TRP A 73 4.093 17.504 15.627 1.00 0.00 C ATOM 461 CD1 TRP A 73 5.357 16.997 15.889 1.00 0.00 C ATOM 462 CD2 TRP A 73 4.275 18.159 14.345 1.00 0.00 C ATOM 463 NE1 TRP A 73 6.290 17.502 14.976 1.00 0.00 N ATOM 464 CE2 TRP A 73 5.644 18.031 13.960 1.00 0.00 C ATOM 465 CE3 TRP A 73 3.349 18.767 13.454 1.00 0.00 C ATOM 466 CZ2 TRP A 73 6.094 18.426 12.702 1.00 0.00 C ATOM 467 CZ3 TRP A 73 3.922 19.340 12.303 1.00 0.00 C ATOM 468 CH2 TRP A 73 5.197 19.109 11.900 1.00 0.00 C ATOM 0 H TRP A 73 0.675 16.556 17.520 1.00 0.00 H new ATOM 0 HA TRP A 73 1.236 17.180 14.785 1.00 0.00 H new ATOM 0 HB2 TRP A 73 2.394 18.352 16.619 1.00 0.00 H new ATOM 0 HB3 TRP A 73 2.956 16.847 17.320 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.589 16.308 16.687 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.304 17.466 15.081 1.00 0.00 H new ATOM 0 HE3 TRP A 73 2.286 18.788 13.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.098 18.209 12.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.312 20.002 11.706 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.518 19.466 10.933 1.00 0.00 H new ATOM 479 N ASN A 74 2.244 14.131 15.629 1.00 0.00 N ATOM 480 CA ASN A 74 2.774 12.861 15.151 1.00 0.00 C ATOM 481 C ASN A 74 1.853 12.331 14.105 1.00 0.00 C ATOM 482 O ASN A 74 2.331 11.750 13.129 1.00 0.00 O ATOM 483 CB ASN A 74 2.833 11.870 16.293 1.00 0.00 C ATOM 484 CG ASN A 74 4.174 11.842 16.981 1.00 0.00 C ATOM 485 OD1 ASN A 74 5.012 12.722 16.839 1.00 0.00 O ATOM 486 ND2 ASN A 74 4.529 10.716 17.596 1.00 0.00 N ATOM 0 H ASN A 74 1.947 14.081 16.603 1.00 0.00 H new ATOM 0 HA ASN A 74 3.775 13.008 14.746 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.062 12.118 17.022 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.604 10.874 15.914 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.483 10.601 17.938 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.847 9.969 17.726 1.00 0.00 H new ATOM 493 N TYR A 75 0.568 12.385 14.326 1.00 0.00 N ATOM 494 CA TYR A 75 -0.505 11.965 13.448 1.00 0.00 C ATOM 495 C TYR A 75 -0.697 12.855 12.253 1.00 0.00 C ATOM 496 O TYR A 75 -1.032 12.470 11.155 1.00 0.00 O ATOM 497 CB TYR A 75 -1.819 11.768 14.301 1.00 0.00 C ATOM 498 CG TYR A 75 -1.640 10.753 15.366 1.00 0.00 C ATOM 499 CD1 TYR A 75 -0.533 9.861 15.484 1.00 0.00 C ATOM 500 CD2 TYR A 75 -2.572 10.623 16.349 1.00 0.00 C ATOM 501 CE1 TYR A 75 -0.438 8.937 16.520 1.00 0.00 C ATOM 502 CE2 TYR A 75 -2.420 9.862 17.563 1.00 0.00 C ATOM 503 CZ TYR A 75 -1.315 9.050 17.660 1.00 0.00 C ATOM 504 OH TYR A 75 -1.092 8.386 18.855 1.00 0.00 O ATOM 0 H TYR A 75 0.206 12.757 15.204 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.228 11.008 13.005 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.106 12.719 14.750 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.636 11.466 13.645 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.255 9.904 14.747 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.511 11.137 16.206 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.288 8.139 16.471 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.143 9.927 18.362 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.806 8.605 19.489 1.00 0.00 H new ATOM 514 N ALA A 76 -0.400 14.187 12.457 1.00 0.00 N ATOM 515 CA ALA A 76 -0.269 15.213 11.332 1.00 0.00 C ATOM 516 C ALA A 76 0.775 14.860 10.302 1.00 0.00 C ATOM 517 O ALA A 76 0.619 15.044 9.117 1.00 0.00 O ATOM 518 CB ALA A 76 -0.125 16.617 11.870 1.00 0.00 C ATOM 0 H ALA A 76 -0.246 14.583 13.384 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.210 15.181 10.783 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.034 17.317 11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.003 16.871 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.766 16.678 12.495 1.00 0.00 H new ATOM 524 N ILE A 77 1.975 14.464 10.758 1.00 0.00 N ATOM 525 CA ILE A 77 3.005 14.069 9.853 1.00 0.00 C ATOM 526 C ILE A 77 2.581 12.764 9.088 1.00 0.00 C ATOM 527 O ILE A 77 2.772 12.596 7.854 1.00 0.00 O ATOM 528 CB ILE A 77 4.376 13.887 10.584 1.00 0.00 C ATOM 529 CG1 ILE A 77 4.967 15.226 11.095 1.00 0.00 C ATOM 530 CG2 ILE A 77 5.376 13.033 9.743 1.00 0.00 C ATOM 531 CD1 ILE A 77 5.585 15.037 12.494 1.00 0.00 C ATOM 0 H ILE A 77 2.230 14.418 11.744 1.00 0.00 H new ATOM 0 HA ILE A 77 3.142 14.866 9.122 1.00 0.00 H new ATOM 0 HB ILE A 77 4.182 13.309 11.487 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.726 15.585 10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.186 15.985 11.134 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.315 12.931 10.287 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.951 12.045 9.565 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.562 13.525 8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.996 15.985 12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.816 14.699 13.189 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.380 14.293 12.443 1.00 0.00 H new ATOM 543 N ALA A 78 1.878 11.860 9.850 1.00 0.00 N ATOM 544 CA ALA A 78 1.319 10.676 9.304 1.00 0.00 C ATOM 545 C ALA A 78 0.285 10.954 8.213 1.00 0.00 C ATOM 546 O ALA A 78 0.283 10.261 7.180 1.00 0.00 O ATOM 547 CB ALA A 78 0.807 9.712 10.375 1.00 0.00 C ATOM 0 H ALA A 78 1.711 11.975 10.850 1.00 0.00 H new ATOM 0 HA ALA A 78 2.142 10.161 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.391 8.825 9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.631 9.421 11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.034 10.202 10.966 1.00 0.00 H new ATOM 553 N PHE A 79 -0.506 11.988 8.459 1.00 0.00 N ATOM 554 CA PHE A 79 -1.552 12.397 7.541 1.00 0.00 C ATOM 555 C PHE A 79 -1.051 12.946 6.155 1.00 0.00 C ATOM 556 O PHE A 79 -1.457 12.608 5.074 1.00 0.00 O ATOM 557 CB PHE A 79 -2.400 13.532 8.269 1.00 0.00 C ATOM 558 CG PHE A 79 -3.523 14.173 7.386 1.00 0.00 C ATOM 559 CD1 PHE A 79 -4.371 13.340 6.509 1.00 0.00 C ATOM 560 CD2 PHE A 79 -3.664 15.561 7.315 1.00 0.00 C ATOM 561 CE1 PHE A 79 -5.348 13.943 5.774 1.00 0.00 C ATOM 562 CE2 PHE A 79 -4.633 16.164 6.475 1.00 0.00 C ATOM 563 CZ PHE A 79 -5.530 15.360 5.716 1.00 0.00 C ATOM 0 H PHE A 79 -0.439 12.564 9.298 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.132 11.506 7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.857 13.109 9.164 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.722 14.319 8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.220 12.272 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.020 16.188 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.020 13.317 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.691 17.240 6.410 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.315 15.802 5.121 1.00 0.00 H new ATOM 573 N ALA A 80 -0.009 13.742 6.195 1.00 0.00 N ATOM 574 CA ALA A 80 0.697 14.329 5.117 1.00 0.00 C ATOM 575 C ALA A 80 1.248 13.300 4.186 1.00 0.00 C ATOM 576 O ALA A 80 1.097 13.402 2.941 1.00 0.00 O ATOM 577 CB ALA A 80 1.744 15.301 5.655 1.00 0.00 C ATOM 0 H ALA A 80 0.397 14.014 7.090 1.00 0.00 H new ATOM 0 HA ALA A 80 0.005 14.910 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.285 15.751 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.251 16.083 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.444 14.764 6.295 1.00 0.00 H new ATOM 583 N PHE A 81 1.836 12.172 4.732 1.00 0.00 N ATOM 584 CA PHE A 81 2.138 11.002 3.869 1.00 0.00 C ATOM 585 C PHE A 81 0.875 10.278 3.291 1.00 0.00 C ATOM 586 O PHE A 81 0.915 9.711 2.157 1.00 0.00 O ATOM 587 CB PHE A 81 2.964 10.054 4.793 1.00 0.00 C ATOM 588 CG PHE A 81 3.106 8.691 4.239 1.00 0.00 C ATOM 589 CD1 PHE A 81 3.738 8.597 3.027 1.00 0.00 C ATOM 590 CD2 PHE A 81 2.625 7.458 4.847 1.00 0.00 C ATOM 591 CE1 PHE A 81 3.913 7.345 2.407 1.00 0.00 C ATOM 592 CE2 PHE A 81 2.697 6.281 4.225 1.00 0.00 C ATOM 593 CZ PHE A 81 3.448 6.207 3.014 1.00 0.00 C ATOM 0 H PHE A 81 2.092 12.066 5.714 1.00 0.00 H new ATOM 0 HA PHE A 81 2.673 11.316 2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.954 10.481 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.482 9.996 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.105 9.490 2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.195 7.499 5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.414 7.281 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.201 5.409 4.626 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.652 5.244 2.571 1.00 0.00 H new ATOM 603 N MET A 82 -0.351 10.386 3.886 1.00 0.00 N ATOM 604 CA MET A 82 -1.650 10.028 3.259 1.00 0.00 C ATOM 605 C MET A 82 -1.959 10.885 2.067 1.00 0.00 C ATOM 606 O MET A 82 -2.249 10.368 0.985 1.00 0.00 O ATOM 607 CB MET A 82 -2.976 10.141 4.258 1.00 0.00 C ATOM 608 CG MET A 82 -2.719 9.497 5.668 1.00 0.00 C ATOM 609 SD MET A 82 -2.637 7.670 5.670 1.00 0.00 S ATOM 610 CE MET A 82 -2.442 7.567 7.519 1.00 0.00 C ATOM 0 H MET A 82 -0.459 10.734 4.839 1.00 0.00 H new ATOM 0 HA MET A 82 -1.497 8.983 2.989 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.245 11.190 4.384 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.826 9.649 3.786 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.784 9.890 6.067 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.512 9.812 6.346 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.364 6.522 7.819 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.539 8.099 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.308 8.020 8.002 1.00 0.00 H new ATOM 620 N ILE A 83 -1.735 12.222 2.120 1.00 0.00 N ATOM 621 CA ILE A 83 -1.878 13.218 1.024 1.00 0.00 C ATOM 622 C ILE A 83 -0.932 12.835 -0.093 1.00 0.00 C ATOM 623 O ILE A 83 -1.315 12.709 -1.281 1.00 0.00 O ATOM 624 CB ILE A 83 -1.662 14.641 1.392 1.00 0.00 C ATOM 625 CG1 ILE A 83 -2.480 15.093 2.679 1.00 0.00 C ATOM 626 CG2 ILE A 83 -1.916 15.553 0.215 1.00 0.00 C ATOM 627 CD1 ILE A 83 -2.031 16.460 3.196 1.00 0.00 C ATOM 0 H ILE A 83 -1.429 12.664 2.987 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.926 13.175 0.727 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.611 14.730 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.543 15.128 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.356 14.350 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.750 16.588 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.236 15.297 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.946 15.433 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.617 16.727 4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.975 16.419 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.180 17.210 2.419 1.00 0.00 H new ATOM 639 N THR A 84 0.348 12.548 0.241 1.00 0.00 N ATOM 640 CA THR A 84 1.424 12.161 -0.724 1.00 0.00 C ATOM 641 C THR A 84 1.127 10.842 -1.458 1.00 0.00 C ATOM 642 O THR A 84 1.376 10.600 -2.642 1.00 0.00 O ATOM 643 CB THR A 84 2.710 11.849 0.043 1.00 0.00 C ATOM 644 OG1 THR A 84 3.167 12.991 0.723 1.00 0.00 O ATOM 645 CG2 THR A 84 3.829 11.498 -0.883 1.00 0.00 C ATOM 0 H THR A 84 0.676 12.577 1.206 1.00 0.00 H new ATOM 0 HA THR A 84 1.498 12.996 -1.420 1.00 0.00 H new ATOM 0 HB THR A 84 2.464 11.026 0.714 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.564 13.191 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.727 11.282 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 84 3.555 10.620 -1.468 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.022 12.335 -1.554 1.00 0.00 H new ATOM 653 N GLY A 85 0.541 9.827 -0.675 1.00 0.00 N ATOM 654 CA GLY A 85 0.117 8.545 -1.137 1.00 0.00 C ATOM 655 C GLY A 85 -0.928 8.488 -2.234 1.00 0.00 C ATOM 656 O GLY A 85 -0.901 7.901 -3.274 1.00 0.00 O ATOM 0 H GLY A 85 0.374 9.952 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.999 8.010 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.270 7.993 -0.280 1.00 0.00 H new ATOM 660 N LEU A 86 -1.946 9.321 -1.911 1.00 0.00 N ATOM 661 CA LEU A 86 -3.049 9.701 -2.821 1.00 0.00 C ATOM 662 C LEU A 86 -2.542 10.532 -4.027 1.00 0.00 C ATOM 663 O LEU A 86 -2.858 10.365 -5.189 1.00 0.00 O ATOM 664 CB LEU A 86 -4.114 10.612 -2.075 1.00 0.00 C ATOM 665 CG LEU A 86 -4.929 9.696 -1.104 1.00 0.00 C ATOM 666 CD1 LEU A 86 -5.788 10.565 -0.154 1.00 0.00 C ATOM 667 CD2 LEU A 86 -5.774 8.753 -1.857 1.00 0.00 C ATOM 0 H LEU A 86 -2.023 9.755 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.491 8.763 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.615 11.408 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.777 11.092 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.229 9.112 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.352 9.919 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.138 11.218 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.479 11.171 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.331 8.127 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.472 9.309 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.145 8.124 -2.487 1.00 0.00 H new ATOM 679 N LEU A 87 -1.549 11.469 -3.776 1.00 0.00 N ATOM 680 CA LEU A 87 -1.026 12.439 -4.832 1.00 0.00 C ATOM 681 C LEU A 87 -0.464 11.720 -6.010 1.00 0.00 C ATOM 682 O LEU A 87 -0.804 11.996 -7.157 1.00 0.00 O ATOM 683 CB LEU A 87 -0.100 13.472 -4.203 1.00 0.00 C ATOM 684 CG LEU A 87 0.061 14.832 -5.020 1.00 0.00 C ATOM 685 CD1 LEU A 87 0.575 15.954 -4.179 1.00 0.00 C ATOM 686 CD2 LEU A 87 1.058 14.640 -6.251 1.00 0.00 C ATOM 0 H LEU A 87 -1.100 11.574 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.860 13.010 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.471 13.709 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.886 13.024 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.939 15.088 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.664 16.854 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.117 16.139 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.553 15.689 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.152 15.581 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.037 14.334 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.667 13.873 -6.920 1.00 0.00 H new ATOM 698 N LEU A 88 0.388 10.697 -5.743 1.00 0.00 N ATOM 699 CA LEU A 88 0.945 9.825 -6.669 1.00 0.00 C ATOM 700 C LEU A 88 -0.086 9.116 -7.496 1.00 0.00 C ATOM 701 O LEU A 88 0.036 8.982 -8.727 1.00 0.00 O ATOM 702 CB LEU A 88 1.752 8.710 -5.946 1.00 0.00 C ATOM 703 CG LEU A 88 3.146 9.220 -5.372 1.00 0.00 C ATOM 704 CD1 LEU A 88 3.479 8.400 -4.073 1.00 0.00 C ATOM 705 CD2 LEU A 88 4.238 9.101 -6.402 1.00 0.00 C ATOM 0 H LEU A 88 0.691 10.491 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 88 1.573 10.445 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.154 8.309 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.930 7.890 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 88 3.076 10.278 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.432 8.736 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.693 8.555 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.543 7.340 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.177 9.457 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.346 8.058 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.982 9.702 -7.275 1.00 0.00 H new ATOM 717 N THR A 89 -1.255 8.587 -6.872 1.00 0.00 N ATOM 718 CA THR A 89 -2.351 7.995 -7.664 1.00 0.00 C ATOM 719 C THR A 89 -2.941 9.027 -8.634 1.00 0.00 C ATOM 720 O THR A 89 -3.341 8.696 -9.759 1.00 0.00 O ATOM 721 CB THR A 89 -3.470 7.343 -6.852 1.00 0.00 C ATOM 722 OG1 THR A 89 -4.244 8.059 -5.948 1.00 0.00 O ATOM 723 CG2 THR A 89 -2.747 6.220 -6.132 1.00 0.00 C ATOM 0 H THR A 89 -1.411 8.581 -5.864 1.00 0.00 H new ATOM 0 HA THR A 89 -1.880 7.180 -8.213 1.00 0.00 H new ATOM 0 HB THR A 89 -4.255 7.100 -7.568 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.764 8.869 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.454 5.672 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.307 5.542 -6.864 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.959 6.638 -5.505 1.00 0.00 H new ATOM 731 N MET A 90 -3.068 10.307 -8.294 1.00 0.00 N ATOM 732 CA MET A 90 -3.712 11.259 -9.195 1.00 0.00 C ATOM 733 C MET A 90 -2.823 11.902 -10.195 1.00 0.00 C ATOM 734 O MET A 90 -3.269 12.548 -11.136 1.00 0.00 O ATOM 735 CB MET A 90 -4.199 12.463 -8.311 1.00 0.00 C ATOM 736 CG MET A 90 -5.081 12.102 -7.173 1.00 0.00 C ATOM 737 SD MET A 90 -6.633 11.348 -7.744 1.00 0.00 S ATOM 738 CE MET A 90 -7.218 10.751 -6.161 1.00 0.00 C ATOM 0 H MET A 90 -2.739 10.705 -7.414 1.00 0.00 H new ATOM 0 HA MET A 90 -4.474 10.687 -9.724 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.324 12.982 -7.920 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.729 13.169 -8.950 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.560 11.408 -6.513 1.00 0.00 H new ATOM 0 HG3 MET A 90 -5.303 12.994 -6.587 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.176 10.247 -6.293 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.494 10.050 -5.746 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.341 11.592 -5.478 1.00 0.00 H new ATOM 748 N ARG A 91 -1.474 11.770 -10.061 1.00 0.00 N ATOM 749 CA ARG A 91 -0.525 11.965 -11.180 1.00 0.00 C ATOM 750 C ARG A 91 -1.006 11.403 -12.582 1.00 0.00 C ATOM 751 O ARG A 91 -0.749 12.055 -13.601 1.00 0.00 O ATOM 752 CB ARG A 91 0.940 11.526 -10.786 1.00 0.00 C ATOM 753 CG ARG A 91 1.951 11.562 -11.951 1.00 0.00 C ATOM 754 CD ARG A 91 2.234 12.897 -12.685 1.00 0.00 C ATOM 755 NE ARG A 91 3.213 12.666 -13.832 1.00 0.00 N ATOM 756 CZ ARG A 91 2.764 12.292 -15.020 1.00 0.00 C ATOM 757 NH1 ARG A 91 1.490 12.057 -15.275 1.00 0.00 N ATOM 758 NH2 ARG A 91 3.564 12.128 -16.048 1.00 0.00 N ATOM 0 H ARG A 91 -1.023 11.527 -9.179 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.501 13.041 -11.350 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.299 12.177 -9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.907 10.515 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.903 11.194 -11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.611 10.846 -12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.303 13.314 -13.069 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.645 13.625 -11.986 1.00 0.00 H new ATOM 0 HE ARG A 91 4.213 12.800 -13.684 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.794 12.161 -14.536 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.201 11.771 -16.211 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.566 12.290 -15.945 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.184 11.839 -16.949 1.00 0.00 H new ATOM 772 N TRP A 92 -1.561 10.172 -12.501 1.00 0.00 N ATOM 773 CA TRP A 92 -1.997 9.335 -13.629 1.00 0.00 C ATOM 774 C TRP A 92 -3.519 9.409 -13.762 1.00 0.00 C ATOM 775 O TRP A 92 -4.274 9.642 -12.830 1.00 0.00 O ATOM 776 CB TRP A 92 -1.512 7.899 -13.361 1.00 0.00 C ATOM 777 CG TRP A 92 -0.124 7.875 -12.787 1.00 0.00 C ATOM 778 CD1 TRP A 92 0.309 7.646 -11.489 1.00 0.00 C ATOM 779 CD2 TRP A 92 1.004 8.156 -13.568 1.00 0.00 C ATOM 780 NE1 TRP A 92 1.662 7.749 -11.507 1.00 0.00 N ATOM 781 CE2 TRP A 92 2.140 8.016 -12.726 1.00 0.00 C ATOM 782 CE3 TRP A 92 1.204 8.471 -14.893 1.00 0.00 C ATOM 783 CZ2 TRP A 92 3.474 8.201 -13.187 1.00 0.00 C ATOM 784 CZ3 TRP A 92 2.537 8.587 -15.439 1.00 0.00 C ATOM 785 CH2 TRP A 92 3.606 8.436 -14.571 1.00 0.00 C ATOM 0 H TRP A 92 -1.722 9.719 -11.602 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.574 9.683 -14.571 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.198 7.407 -12.672 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -1.530 7.330 -14.291 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.310 7.428 -10.631 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.249 7.635 -10.681 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.351 8.634 -15.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.325 8.164 -12.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 2.695 8.785 -16.489 1.00 0.00 H new ATOM 0 HH2 TRP A 92 4.603 8.502 -14.980 1.00 0.00 H new ATOM 796 N HIS A 93 -4.017 9.199 -14.962 1.00 0.00 N ATOM 797 CA HIS A 93 -5.402 9.359 -15.320 1.00 0.00 C ATOM 798 C HIS A 93 -5.866 8.350 -16.387 1.00 0.00 C ATOM 799 O HIS A 93 -5.080 7.853 -17.285 1.00 0.00 O ATOM 800 CB HIS A 93 -5.887 10.772 -15.557 1.00 0.00 C ATOM 801 CG HIS A 93 -7.357 10.952 -15.583 1.00 0.00 C ATOM 802 ND1 HIS A 93 -8.126 10.346 -14.583 1.00 0.00 N ATOM 803 CD2 HIS A 93 -8.173 11.567 -16.486 1.00 0.00 C ATOM 804 CE1 HIS A 93 -9.397 10.550 -14.863 1.00 0.00 C ATOM 805 NE2 HIS A 93 -9.472 11.295 -16.032 1.00 0.00 N ATOM 0 H HIS A 93 -3.438 8.899 -15.746 1.00 0.00 H new ATOM 0 HA HIS A 93 -5.924 9.102 -14.398 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -5.475 11.413 -14.778 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.480 11.122 -16.506 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -7.884 12.137 -17.357 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -10.237 10.198 -14.282 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -10.333 11.596 -16.488 1.00 0.00 H new ATOM 813 N LEU A 94 -7.228 8.010 -16.321 1.00 0.00 N ATOM 814 CA LEU A 94 -8.066 7.469 -17.369 1.00 0.00 C ATOM 815 C LEU A 94 -7.649 7.949 -18.725 1.00 0.00 C ATOM 816 O LEU A 94 -7.325 9.126 -18.983 1.00 0.00 O ATOM 817 CB LEU A 94 -9.591 7.635 -17.184 1.00 0.00 C ATOM 818 CG LEU A 94 -10.272 6.830 -16.098 1.00 0.00 C ATOM 819 CD1 LEU A 94 -10.219 7.523 -14.782 1.00 0.00 C ATOM 820 CD2 LEU A 94 -11.690 6.523 -16.446 1.00 0.00 C ATOM 0 H LEU A 94 -7.752 8.135 -15.455 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.893 6.396 -17.287 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.790 8.689 -16.991 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.070 7.388 -18.131 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.722 5.893 -16.019 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.718 6.913 -14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.179 7.677 -14.493 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.721 8.488 -14.858 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -12.145 5.944 -15.642 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.241 7.454 -16.580 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.721 5.947 -17.371 1.00 0.00 H new ATOM 832 N GLU A 95 -7.757 7.113 -19.753 1.00 0.00 N ATOM 833 CA GLU A 95 -7.495 7.560 -21.156 1.00 0.00 C ATOM 834 C GLU A 95 -8.767 8.092 -21.847 1.00 0.00 C ATOM 835 O GLU A 95 -8.819 9.312 -22.105 1.00 0.00 O ATOM 836 CB GLU A 95 -6.835 6.382 -21.939 1.00 0.00 C ATOM 837 CG GLU A 95 -6.475 6.574 -23.445 1.00 0.00 C ATOM 838 CD GLU A 95 -5.804 7.931 -23.817 1.00 0.00 C ATOM 839 OE1 GLU A 95 -4.812 8.378 -23.169 1.00 0.00 O ATOM 840 OE2 GLU A 95 -6.195 8.521 -24.900 1.00 0.00 O ATOM 0 H GLU A 95 -8.019 6.131 -19.665 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.807 8.405 -21.142 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.918 6.113 -21.415 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.505 5.525 -21.869 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.807 5.766 -23.745 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.387 6.468 -24.033 1.00 0.00 H new TER 847 GLU A 95 END