USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER RIBOSOMAL PROTEIN 27-MAR-11 3RA6 TITLE CRYSTAL STRUCTURE OF T. CELER L30E E62A/K46A VARIANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: 50S RIBOSOMAL PROTEIN L30E; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS CELER; SOURCE 3 ORGANISM_TAXID: 2264; SOURCE 4 GENE: RPL30E; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: C41; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3C KEYWDS RIBOSOMAL PROTEIN, L30E, THERMOPHILIC, GLOBULAR PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR C.H.CHAN,T.H.YU,K.B.WONG REVDAT 1 05-OCT-11 3RA6 0 JRNL AUTH C.H.CHAN,T.H.YU,K.B.WONG JRNL TITL STABILIZING SALT-BRIDGE ENHANCES PROTEIN THERMOSTABILITY BY JRNL TITL 2 REDUCING THE HEAT CAPACITY CHANGE OF UNFOLDING JRNL REF PLOS ONE V. 6 21624 2011 JRNL REFN ESSN 1932-6203 JRNL PMID 21720566 JRNL DOI 10.1371/JOURNAL.PONE.0021624 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.1_357) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.40 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.410 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 3 NUMBER OF REFLECTIONS : 5473 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.202 REMARK 3 R VALUE (WORKING SET) : 0.196 REMARK 3 FREE R VALUE : 0.253 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.810 REMARK 3 FREE R VALUE TEST SET COUNT : 537 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 32.4024 - 3.1742 0.98 1247 137 0.1608 0.1878 REMARK 3 2 3.1742 - 2.5198 1.00 1252 137 0.2060 0.2448 REMARK 3 3 2.5198 - 2.2013 0.98 1204 134 0.2561 0.3781 REMARK 3 4 2.2013 - 2.0001 1.00 1233 129 0.2176 0.2899 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : 0.40 REMARK 3 B_SOL : 48.41 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.270 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.930 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.21 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 3.00310 REMARK 3 B22 (A**2) : -5.38220 REMARK 3 B33 (A**2) : 2.37910 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : -3.65070 REMARK 3 B23 (A**2) : -0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.007 744 REMARK 3 ANGLE : 1.008 1005 REMARK 3 CHIRALITY : 0.061 117 REMARK 3 PLANARITY : 0.004 129 REMARK 3 DIHEDRAL : 13.442 274 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3RA6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-APR-11. REMARK 100 THE RCSB ID CODE IS RCSB064682. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JAN-09 REMARK 200 TEMPERATURE (KELVIN) : 110 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : SAGITALLY FOCUSED SI(111) REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5520 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 32.398 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 5.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 2.800 REMARK 200 R MERGE (I) : 0.07700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.11 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.70 REMARK 200 R MERGE FOR SHELL (I) : 0.17400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.800 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1H7M REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 35.12 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 5% PEG MME 2000, 0.1M MES, PH 6.0, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 26.95650 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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. (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 LYS A 99 REMARK 465 GLU A 100 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLN A 25 CG CD OE1 NE2 REMARK 470 GLU A 64 CG CD OE1 OE2 REMARK 470 GLY A 98 CA C O REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 168 O HOH A 169 2.03 REMARK 500 O HOH A 133 O HOH A 173 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 148 O HOH A 157 2545 2.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1H7M RELATED DB: PDB REMARK 900 THE WILD-TYPE PROTEIN REMARK 900 RELATED ID: 3RA5 RELATED DB: PDB REMARK 900 THE SAME PROTEIN E6A/R92A VARIANT DBREF 3RA6 A 0 100 UNP P29160 RL30E_THECE 1 101 SEQADV 3RA6 ALA A 46 UNP P29160 LYS 47 ENGINEERED MUTATION SEQADV 3RA6 ALA A 62 UNP P29160 GLU 63 ENGINEERED MUTATION SEQRES 1 A 101 MET VAL ASP PHE ALA PHE GLU LEU ARG LYS ALA GLN ASP SEQRES 2 A 101 THR GLY LYS ILE VAL MET GLY ALA ARG LYS SER ILE GLN SEQRES 3 A 101 TYR ALA LYS MET GLY GLY ALA LYS LEU ILE ILE VAL ALA SEQRES 4 A 101 ARG ASN ALA ARG PRO ASP ILE ALA GLU ASP ILE GLU TYR SEQRES 5 A 101 TYR ALA ARG LEU SER GLY ILE PRO VAL TYR ALA PHE GLU SEQRES 6 A 101 GLY THR SER VAL GLU LEU GLY THR LEU LEU GLY ARG PRO SEQRES 7 A 101 HIS THR VAL SER ALA LEU ALA VAL VAL ASP PRO GLY GLU SEQRES 8 A 101 SER ARG ILE LEU ALA LEU GLY GLY LYS GLU FORMUL 2 HOH *83(H2 O) HELIX 1 1 ASP A 2 GLY A 14 1 13 HELIX 2 2 GLY A 19 MET A 29 1 11 HELIX 3 3 ARG A 42 GLY A 57 1 16 HELIX 4 4 THR A 66 LEU A 74 1 9 HELIX 5 5 ARG A 92 GLY A 97 5 6 SHEET 1 A 4 LYS A 15 MET A 18 0 SHEET 2 A 4 ALA A 82 ASP A 87 -1 O ASP A 87 N LYS A 15 SHEET 3 A 4 LEU A 34 ALA A 38 -1 N ILE A 36 O LEU A 83 SHEET 4 A 4 VAL A 60 PHE A 63 1 O TYR A 61 N ILE A 35 CRYST1 23.587 53.913 34.298 90.00 109.16 90.00 P 1 21 1 2 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 0.042397 0.000000 0.014730 0.00000 SCALE2 0.000000 0.018548 0.000000 0.00000 SCALE3 0.000000 0.000000 0.030866 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 Set 1.1: A 40 ASN : amide:sc= 0.753 K(o=0.76,f=-7.2!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.0105 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.982 K(o=0.98,f=-1.1) USER MOD Set 2.2: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 2.29 (180deg=1.17) USER MOD Single : A 13 THR OG1 : rot -61:sc= 1.81 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 0.28 (180deg=0.233) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 83:sc= 1.06 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -135:sc= -2.6 (180deg=-3.49!) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 1.65 (180deg=1.59) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 56 SER OG : rot 94:sc= 1.17 USER MOD Single : A 61 TYR OH : rot 180:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot -156:sc= 0.994 USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.0946 USER MOD Single : A 78 HIS : no HD1:sc= -0.795 X(o=-0.79,f=-0.54) USER MOD Single : A 79 THR OG1 : rot 81:sc= 1.68 USER MOD Single : A 81 SER OG : rot -118:sc= 0.0087 USER MOD Single : A 91 SER OG : rot -78:sc= -0.672 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -6.007-319.312 17.846 1.00 38.37 N ATOM 2 CA MET A 0 -5.900-318.039 17.138 1.00 36.03 C ATOM 3 C MET A 0 -4.458-317.547 17.044 1.00 28.45 C ATOM 4 O MET A 0 -3.726-317.539 18.038 1.00 33.99 O ATOM 5 CB MET A 0 -6.750-316.960 17.811 1.00 33.68 C ATOM 6 CG MET A 0 -6.937-315.737 16.916 1.00 28.79 C ATOM 7 SD MET A 0 -7.281-314.201 17.804 1.00 25.89 S ATOM 8 CE MET A 0 -6.389-313.020 16.787 1.00 27.33 C ATOM 0 H1 MET A 0 -6.860-319.563 17.879 1.00 38.37 H new ATOM 0 H2 MET A 0 -5.532-319.931 17.417 1.00 38.37 H new ATOM 0 H3 MET A 0 -5.694-319.219 18.674 1.00 38.37 H new ATOM 0 HA MET A 0 -6.228-318.201 16.240 1.00 36.03 H new ATOM 0 HB2 MET A 0 -7.618-317.329 18.039 1.00 33.68 H new ATOM 0 HB3 MET A 0 -6.329-316.690 18.642 1.00 33.68 H new ATOM 0 HG2 MET A 0 -6.136-315.616 16.382 1.00 28.79 H new ATOM 0 HG3 MET A 0 -7.665-315.910 16.299 1.00 28.79 H new ATOM 0 HE1 MET A 0 -6.491-312.130 17.159 1.00 27.33 H new ATOM 0 HE2 MET A 0 -5.448-313.255 16.767 1.00 27.33 H new ATOM 0 HE3 MET A 0 -6.745-313.036 15.885 1.00 27.33 H new ATOM 9 N VAL A 1 -4.075-317.107 15.848 1.00 33.30 N ATOM 10 CA VAL A 1 -2.712-316.662 15.560 1.00 30.74 C ATOM 11 C VAL A 1 -2.389-315.259 16.080 1.00 29.66 C ATOM 12 O VAL A 1 -3.181-314.329 15.940 1.00 30.17 O ATOM 13 CB VAL A 1 -2.422-316.717 14.044 1.00 34.22 C ATOM 14 CG1 VAL A 1 -1.102-316.017 13.718 1.00 28.77 C ATOM 15 CG2 VAL A 1 -2.425-318.171 13.547 1.00 30.83 C ATOM 0 H VAL A 1 -4.605-317.058 15.173 1.00 33.30 H new ATOM 0 HA VAL A 1 -2.139-317.282 16.038 1.00 30.74 H new ATOM 0 HB VAL A 1 -3.128-316.242 13.578 1.00 34.22 H new ATOM 0 HG11 VAL A 1 -0.939-316.063 12.763 1.00 28.77 H new ATOM 0 HG12 VAL A 1 -1.151-315.088 13.993 1.00 28.77 H new ATOM 0 HG13 VAL A 1 -0.377-316.456 14.191 1.00 28.77 H new ATOM 0 HG21 VAL A 1 -2.242-318.188 12.595 1.00 30.83 H new ATOM 0 HG22 VAL A 1 -1.742-318.675 14.016 1.00 30.83 H new ATOM 0 HG23 VAL A 1 -3.293-318.569 13.716 1.00 30.83 H new ATOM 16 N ASP A 2 -1.212-315.122 16.683 1.00 25.76 N ATOM 17 CA ASP A 2 -0.725-313.839 17.183 1.00 27.46 C ATOM 18 C ASP A 2 0.086-313.223 16.056 1.00 21.96 C ATOM 19 O ASP A 2 1.267-313.550 15.884 1.00 20.93 O ATOM 20 CB ASP A 2 0.172-314.071 18.410 1.00 26.28 C ATOM 21 CG ASP A 2 0.476-312.792 19.192 1.00 27.08 C ATOM 22 OD1 ASP A 2 0.889-312.920 20.364 1.00 28.95 O ATOM 23 OD2 ASP A 2 0.309-311.671 18.659 1.00 24.14 O ATOM 0 H ASP A 2 -0.669-315.776 16.815 1.00 25.76 H new ATOM 0 HA ASP A 2 -1.455-313.258 17.449 1.00 27.46 H new ATOM 0 HB2 ASP A 2 -0.258-314.709 19.001 1.00 26.28 H new ATOM 0 HB3 ASP A 2 1.007-314.471 18.121 1.00 26.28 H new ATOM 24 N PHE A 3 -0.543-312.347 15.279 1.00 26.41 N ATOM 25 CA PHE A 3 0.097-311.803 14.079 1.00 24.04 C ATOM 26 C PHE A 3 1.488-311.242 14.347 1.00 19.42 C ATOM 27 O PHE A 3 2.466-311.632 13.702 1.00 16.38 O ATOM 28 CB PHE A 3 -0.780-310.734 13.421 1.00 24.12 C ATOM 29 CG PHE A 3 -0.166-310.117 12.183 1.00 23.99 C ATOM 30 CD1 PHE A 3 -0.282-310.745 10.946 1.00 23.51 C ATOM 31 CD2 PHE A 3 0.514-308.904 12.256 1.00 19.97 C ATOM 32 CE1 PHE A 3 0.278-310.188 9.804 1.00 20.84 C ATOM 33 CE2 PHE A 3 1.070-308.337 11.119 1.00 22.00 C ATOM 34 CZ PHE A 3 0.953-308.990 9.886 1.00 18.62 C ATOM 0 H PHE A 3 -1.338-312.054 15.426 1.00 26.41 H new ATOM 0 HA PHE A 3 0.201-312.551 13.470 1.00 24.04 H new ATOM 0 HB2 PHE A 3 -1.634-311.128 13.186 1.00 24.12 H new ATOM 0 HB3 PHE A 3 -0.960-310.033 14.067 1.00 24.12 H new ATOM 0 HD1 PHE A 3 -0.742-311.551 10.883 1.00 23.51 H new ATOM 0 HD2 PHE A 3 0.596-308.470 13.075 1.00 19.97 H new ATOM 0 HE1 PHE A 3 0.198-310.623 8.986 1.00 20.84 H new ATOM 0 HE2 PHE A 3 1.520-307.525 11.175 1.00 22.00 H new ATOM 0 HZ PHE A 3 1.331-308.615 9.123 1.00 18.62 H new ATOM 35 N ALA A 4 1.568-310.309 15.287 1.00 20.01 N ATOM 36 CA ALA A 4 2.807-309.579 15.515 1.00 24.35 C ATOM 37 C ALA A 4 3.899-310.509 16.042 1.00 18.15 C ATOM 38 O ALA A 4 5.052-310.419 15.636 1.00 16.40 O ATOM 39 CB ALA A 4 2.572-308.398 16.474 1.00 18.62 C ATOM 0 H ALA A 4 0.918-310.084 15.803 1.00 20.01 H new ATOM 0 HA ALA A 4 3.109-309.220 14.666 1.00 24.35 H new ATOM 0 HB1 ALA A 4 3.406-307.924 16.614 1.00 18.62 H new ATOM 0 HB2 ALA A 4 1.918-307.794 16.089 1.00 18.62 H new ATOM 0 HB3 ALA A 4 2.243-308.731 17.324 1.00 18.62 H new ATOM 40 N PHE A 5 3.533-311.386 16.968 1.00 19.30 N ATOM 41 CA PHE A 5 4.488-312.354 17.477 1.00 19.73 C ATOM 42 C PHE A 5 4.989-313.256 16.347 1.00 18.93 C ATOM 43 O PHE A 5 6.196-313.379 16.136 1.00 17.46 O ATOM 44 CB PHE A 5 3.890-313.204 18.611 1.00 18.86 C ATOM 45 CG PHE A 5 4.808-314.308 19.081 1.00 19.99 C ATOM 46 CD1 PHE A 5 5.868-314.036 19.928 1.00 21.74 C ATOM 47 CD2 PHE A 5 4.621-315.616 18.657 1.00 22.82 C ATOM 48 CE1 PHE A 5 6.729-315.053 20.347 1.00 16.65 C ATOM 49 CE2 PHE A 5 5.472-316.633 19.082 1.00 19.71 C ATOM 50 CZ PHE A 5 6.528-316.342 19.922 1.00 17.26 C ATOM 0 H PHE A 5 2.746-311.436 17.310 1.00 19.30 H new ATOM 0 HA PHE A 5 5.237-311.859 17.844 1.00 19.73 H new ATOM 0 HB2 PHE A 5 3.678-312.627 19.361 1.00 18.86 H new ATOM 0 HB3 PHE A 5 3.055-313.594 18.308 1.00 18.86 H new ATOM 0 HD1 PHE A 5 6.009-313.165 20.222 1.00 21.74 H new ATOM 0 HD2 PHE A 5 3.918-315.816 18.082 1.00 22.82 H new ATOM 0 HE1 PHE A 5 7.439-314.856 20.914 1.00 16.65 H new ATOM 0 HE2 PHE A 5 5.329-317.508 18.800 1.00 19.71 H new ATOM 0 HZ PHE A 5 7.102-317.019 20.199 1.00 17.26 H new ATOM 51 N GLU A 6 4.066-313.875 15.612 1.00 18.49 N ATOM 52 CA GLU A 6 4.464-314.859 14.596 1.00 19.46 C ATOM 53 C GLU A 6 5.167-314.214 13.405 1.00 14.62 C ATOM 54 O GLU A 6 6.036-314.821 12.791 1.00 16.16 O ATOM 55 CB GLU A 6 3.271-315.684 14.105 1.00 18.73 C ATOM 56 CG GLU A 6 2.523-316.417 15.192 1.00 17.17 C ATOM 57 CD GLU A 6 3.331-317.539 15.812 1.00 18.40 C ATOM 58 OE1 GLU A 6 4.335-317.963 15.216 1.00 20.42 O ATOM 59 OE2 GLU A 6 2.963-317.989 16.903 1.00 20.09 O ATOM 0 H GLU A 6 3.219-313.745 15.681 1.00 18.49 H new ATOM 0 HA GLU A 6 5.095-315.451 15.034 1.00 19.46 H new ATOM 0 HB2 GLU A 6 2.653-315.095 13.645 1.00 18.73 H new ATOM 0 HB3 GLU A 6 3.586-316.330 13.453 1.00 18.73 H new ATOM 0 HG2 GLU A 6 2.269-315.787 15.884 1.00 17.17 H new ATOM 0 HG3 GLU A 6 1.702-316.781 14.824 1.00 17.17 H new ATOM 60 N LEU A 7 4.769-312.994 13.062 1.00 18.59 N ATOM 61 CA LEU A 7 5.456-312.257 12.013 1.00 15.01 C ATOM 62 C LEU A 7 6.916-312.021 12.417 1.00 18.53 C ATOM 63 O LEU A 7 7.841-312.272 11.642 1.00 16.28 O ATOM 64 CB LEU A 7 4.763-310.920 11.734 1.00 17.36 C ATOM 65 CG LEU A 7 5.373-310.142 10.568 1.00 18.86 C ATOM 66 CD1 LEU A 7 5.174-310.928 9.275 1.00 19.15 C ATOM 67 CD2 LEU A 7 4.802-308.736 10.451 1.00 17.51 C ATOM 0 H LEU A 7 4.108-312.579 13.422 1.00 18.59 H new ATOM 0 HA LEU A 7 5.428-312.784 11.199 1.00 15.01 H new ATOM 0 HB2 LEU A 7 3.825-311.084 11.548 1.00 17.36 H new ATOM 0 HB3 LEU A 7 4.802-310.372 12.533 1.00 17.36 H new ATOM 0 HG LEU A 7 6.322-310.037 10.737 1.00 18.86 H new ATOM 0 HD11 LEU A 7 5.561-310.436 8.534 1.00 19.15 H new ATOM 0 HD12 LEU A 7 5.609-311.792 9.351 1.00 19.15 H new ATOM 0 HD13 LEU A 7 4.226-311.057 9.117 1.00 19.15 H new ATOM 0 HD21 LEU A 7 5.215-308.280 9.701 1.00 17.51 H new ATOM 0 HD22 LEU A 7 3.844-308.786 10.310 1.00 17.51 H new ATOM 0 HD23 LEU A 7 4.983-308.244 11.267 1.00 17.51 H new ATOM 68 N ARG A 8 7.114-311.536 13.639 1.00 18.19 N ATOM 69 CA ARG A 8 8.457-311.291 14.135 1.00 19.02 C ATOM 70 C ARG A 8 9.207-312.624 14.291 1.00 15.99 C ATOM 71 O ARG A 8 10.380-312.729 13.958 1.00 15.18 O ATOM 72 CB ARG A 8 8.414-310.518 15.460 1.00 19.13 C ATOM 73 CG ARG A 8 9.780-310.058 15.922 1.00 20.55 C ATOM 74 CD ARG A 8 9.692-309.144 17.144 1.00 23.47 C ATOM 75 NE ARG A 8 11.010-308.631 17.502 1.00 24.20 N ATOM 76 CZ ARG A 8 11.259-307.877 18.564 1.00 23.71 C ATOM 77 NH1 ARG A 8 10.281-307.544 19.391 1.00 20.77 N ATOM 78 NH2 ARG A 8 12.494-307.458 18.796 1.00 30.22 N ATOM 0 H ARG A 8 6.485-311.344 14.193 1.00 18.19 H new ATOM 0 HA ARG A 8 8.936-310.743 13.493 1.00 19.02 H new ATOM 0 HB2 ARG A 8 7.835-309.746 15.359 1.00 19.13 H new ATOM 0 HB3 ARG A 8 8.019-311.081 16.144 1.00 19.13 H new ATOM 0 HG2 ARG A 8 10.326-310.831 16.136 1.00 20.55 H new ATOM 0 HG3 ARG A 8 10.224-309.588 15.199 1.00 20.55 H new ATOM 0 HD2 ARG A 8 9.092-308.405 16.958 1.00 23.47 H new ATOM 0 HD3 ARG A 8 9.316-309.633 17.893 1.00 23.47 H new ATOM 0 HE ARG A 8 11.671-308.831 16.989 1.00 24.20 H new ATOM 0 HH11 ARG A 8 9.479-307.817 19.241 1.00 20.77 H new ATOM 0 HH12 ARG A 8 10.447-307.055 20.079 1.00 20.77 H new ATOM 0 HH21 ARG A 8 13.130-307.675 18.259 1.00 30.22 H new ATOM 0 HH22 ARG A 8 12.660-306.969 19.484 1.00 30.22 H new ATOM 79 N LYS A 9 8.523-313.650 14.776 1.00 18.48 N ATOM 80 CA LYS A 9 9.163-314.958 14.917 1.00 19.34 C ATOM 81 C LYS A 9 9.613-315.509 13.571 1.00 21.03 C ATOM 82 O LYS A 9 10.661-316.150 13.481 1.00 20.52 O ATOM 83 CB LYS A 9 8.243-315.966 15.613 1.00 19.89 C ATOM 84 CG LYS A 9 8.907-317.306 15.881 1.00 19.25 C ATOM 85 CD LYS A 9 8.064-318.166 16.807 1.00 19.81 C ATOM 86 CE LYS A 9 8.709-319.513 17.048 1.00 24.31 C ATOM 87 NZ LYS A 9 7.922-320.320 18.034 1.00 23.05 N ATOM 0 H LYS A 9 7.701-313.616 15.027 1.00 18.48 H new ATOM 0 HA LYS A 9 9.947-314.825 15.473 1.00 19.34 H new ATOM 0 HB2 LYS A 9 7.939-315.589 16.454 1.00 19.89 H new ATOM 0 HB3 LYS A 9 7.455-316.107 15.065 1.00 19.89 H new ATOM 0 HG2 LYS A 9 9.048-317.773 15.042 1.00 19.25 H new ATOM 0 HG3 LYS A 9 9.781-317.163 16.276 1.00 19.25 H new ATOM 0 HD2 LYS A 9 7.941-317.708 17.653 1.00 19.81 H new ATOM 0 HD3 LYS A 9 7.183-318.292 16.422 1.00 19.81 H new ATOM 0 HE2 LYS A 9 8.776-319.997 16.210 1.00 24.31 H new ATOM 0 HE3 LYS A 9 9.613-319.388 17.377 1.00 24.31 H new ATOM 0 HZ1 LYS A 9 8.055-321.187 17.882 1.00 23.05 H new ATOM 0 HZ2 LYS A 9 8.186-320.120 18.860 1.00 23.05 H new ATOM 0 HZ3 LYS A 9 7.056-320.134 17.947 1.00 23.05 H new ATOM 88 N ALA A 10 8.826-315.255 12.522 1.00 19.33 N ATOM 89 CA ALA A 10 9.194-315.700 11.180 1.00 18.11 C ATOM 90 C ALA A 10 10.326-314.848 10.628 1.00 18.81 C ATOM 91 O ALA A 10 11.187-315.326 9.895 1.00 16.14 O ATOM 92 CB ALA A 10 7.999-315.667 10.245 1.00 19.37 C ATOM 0 H ALA A 10 8.080-314.829 12.568 1.00 19.33 H new ATOM 0 HA ALA A 10 9.499-316.619 11.243 1.00 18.11 H new ATOM 0 HB1 ALA A 10 8.270-315.966 9.363 1.00 19.37 H new ATOM 0 HB2 ALA A 10 7.305-316.253 10.586 1.00 19.37 H new ATOM 0 HB3 ALA A 10 7.658-314.761 10.188 1.00 19.37 H new ATOM 93 N GLN A 11 10.333-313.576 10.989 1.00 18.64 N ATOM 94 CA GLN A 11 11.430-312.709 10.598 1.00 19.46 C ATOM 95 C GLN A 11 12.742-313.157 11.255 1.00 21.30 C ATOM 96 O GLN A 11 13.820-313.005 10.678 1.00 22.46 O ATOM 97 CB GLN A 11 11.107-311.272 11.006 1.00 17.20 C ATOM 98 CG GLN A 11 12.061-310.232 10.472 1.00 20.37 C ATOM 99 CD GLN A 11 11.685-308.840 10.941 1.00 22.35 C ATOM 100 OE1 GLN A 11 10.870-308.684 11.855 1.00 24.62 O ATOM 101 NE2 GLN A 11 12.255-307.826 10.306 1.00 19.31 N ATOM 0 H GLN A 11 9.718-313.197 11.456 1.00 18.64 H new ATOM 0 HA GLN A 11 11.541-312.760 9.636 1.00 19.46 H new ATOM 0 HB2 GLN A 11 10.211-311.057 10.703 1.00 17.20 H new ATOM 0 HB3 GLN A 11 11.099-311.218 11.974 1.00 17.20 H new ATOM 0 HG2 GLN A 11 12.963-310.440 10.762 1.00 20.37 H new ATOM 0 HG3 GLN A 11 12.061-310.259 9.502 1.00 20.37 H new ATOM 0 HE21 GLN A 11 12.818-307.977 9.674 1.00 19.31 H new ATOM 0 HE22 GLN A 11 12.061-307.017 10.526 1.00 19.31 H new ATOM 102 N ASP A 12 12.651-313.702 12.466 1.00 26.12 N ATOM 103 CA ASP A 12 13.848-314.051 13.240 1.00 23.55 C ATOM 104 C ASP A 12 14.359-315.478 12.986 1.00 23.08 C ATOM 105 O ASP A 12 15.549-315.736 13.101 1.00 22.39 O ATOM 106 CB ASP A 12 13.610-313.861 14.743 1.00 21.51 C ATOM 107 CG ASP A 12 13.723-312.410 15.196 1.00 23.09 C ATOM 108 OD1 ASP A 12 14.320-311.576 14.488 1.00 26.84 O ATOM 109 OD2 ASP A 12 13.213-312.111 16.289 1.00 23.52 O ATOM 0 H ASP A 12 11.907-313.879 12.860 1.00 26.12 H new ATOM 0 HA ASP A 12 14.535-313.441 12.931 1.00 23.55 H new ATOM 0 HB2 ASP A 12 12.728-314.195 14.969 1.00 21.51 H new ATOM 0 HB3 ASP A 12 14.251-314.397 15.235 1.00 21.51 H new ATOM 110 N THR A 13 13.465-316.406 12.668 1.00 23.59 N ATOM 111 CA THR A 13 13.863-317.808 12.530 1.00 21.03 C ATOM 112 C THR A 13 13.732-318.353 11.115 1.00 25.94 C ATOM 113 O THR A 13 14.107-319.508 10.851 1.00 21.05 O ATOM 114 CB THR A 13 13.063-318.721 13.476 1.00 27.60 C ATOM 115 OG1 THR A 13 11.661-318.635 13.173 1.00 22.45 O ATOM 116 CG2 THR A 13 13.306-318.321 14.928 1.00 29.22 C ATOM 0 H THR A 13 12.631-316.251 12.529 1.00 23.59 H new ATOM 0 HA THR A 13 14.804-317.815 12.767 1.00 21.03 H new ATOM 0 HB THR A 13 13.359-319.636 13.350 1.00 27.60 H new ATOM 0 HG1 THR A 13 11.398-317.845 13.285 1.00 22.45 H new ATOM 0 HG21 THR A 13 12.797-318.903 15.514 1.00 29.22 H new ATOM 0 HG22 THR A 13 14.251-318.403 15.133 1.00 29.22 H new ATOM 0 HG23 THR A 13 13.025-317.402 15.062 1.00 29.22 H new ATOM 117 N GLY A 14 13.193-317.527 10.216 1.00 23.73 N ATOM 118 CA GLY A 14 12.951-317.922 8.837 1.00 20.95 C ATOM 119 C GLY A 14 13.498-316.915 7.841 1.00 23.26 C ATOM 120 O GLY A 14 14.600-316.385 8.031 1.00 25.66 O ATOM 0 H GLY A 14 12.958-316.719 10.395 1.00 23.73 H new ATOM 0 HA2 GLY A 14 13.358-318.787 8.675 1.00 20.95 H new ATOM 0 HA3 GLY A 14 11.997-318.027 8.696 1.00 20.95 H new ATOM 121 N LYS A 15 12.741-316.667 6.767 1.00 20.78 N ATOM 122 CA LYS A 15 13.101-315.660 5.769 1.00 20.77 C ATOM 123 C LYS A 15 11.889-314.896 5.238 1.00 21.96 C ATOM 124 O LYS A 15 10.967-315.475 4.671 1.00 17.13 O ATOM 125 CB LYS A 15 13.897-316.254 4.599 1.00 22.04 C ATOM 126 CG LYS A 15 14.289-315.207 3.532 1.00 25.29 C ATOM 127 CD LYS A 15 15.065-315.826 2.370 1.00 29.01 C ATOM 128 CE LYS A 15 15.315-314.823 1.241 1.00 27.18 C ATOM 129 NZ LYS A 15 16.348-313.795 1.586 1.00 32.18 N ATOM 0 H LYS A 15 12.005-317.079 6.599 1.00 20.78 H new ATOM 0 HA LYS A 15 13.671-315.030 6.237 1.00 20.77 H new ATOM 0 HB2 LYS A 15 14.701-316.673 4.943 1.00 22.04 H new ATOM 0 HB3 LYS A 15 13.371-316.953 4.180 1.00 22.04 H new ATOM 0 HG2 LYS A 15 13.488-314.779 3.192 1.00 25.29 H new ATOM 0 HG3 LYS A 15 14.827-314.513 3.945 1.00 25.29 H new ATOM 0 HD2 LYS A 15 15.915-316.164 2.694 1.00 29.01 H new ATOM 0 HD3 LYS A 15 14.572-316.585 2.022 1.00 29.01 H new ATOM 0 HE2 LYS A 15 15.597-315.303 0.446 1.00 27.18 H new ATOM 0 HE3 LYS A 15 14.482-314.376 1.022 1.00 27.18 H new ATOM 0 HZ1 LYS A 15 16.582-313.350 0.851 1.00 32.18 H new ATOM 0 HZ2 LYS A 15 16.013-313.226 2.183 1.00 32.18 H new ATOM 0 HZ3 LYS A 15 17.064-314.197 1.929 1.00 32.18 H new ATOM 130 N ILE A 16 11.917-313.586 5.458 1.00 22.13 N ATOM 131 CA ILE A 16 10.910-312.653 4.975 1.00 22.81 C ATOM 132 C ILE A 16 11.601-311.649 4.055 1.00 28.16 C ATOM 133 O ILE A 16 12.704-311.197 4.348 1.00 26.08 O ATOM 134 CB ILE A 16 10.278-311.857 6.153 1.00 27.85 C ATOM 135 CG1 ILE A 16 8.826-312.268 6.390 1.00 23.67 C ATOM 136 CG2 ILE A 16 10.377-310.346 5.930 1.00 28.69 C ATOM 137 CD1 ILE A 16 8.683-313.502 7.203 1.00 24.70 C ATOM 0 H ILE A 16 12.544-313.205 5.907 1.00 22.13 H new ATOM 0 HA ILE A 16 10.215-313.150 4.517 1.00 22.81 H new ATOM 0 HB ILE A 16 10.788-312.077 6.948 1.00 27.85 H new ATOM 0 HG12 ILE A 16 8.360-311.542 6.833 1.00 23.67 H new ATOM 0 HG13 ILE A 16 8.392-312.402 5.533 1.00 23.67 H new ATOM 0 HG21 ILE A 16 9.975-309.881 6.680 1.00 28.69 H new ATOM 0 HG22 ILE A 16 11.310-310.090 5.854 1.00 28.69 H new ATOM 0 HG23 ILE A 16 9.909-310.108 5.114 1.00 28.69 H new ATOM 0 HD11 ILE A 16 7.742-313.708 7.316 1.00 24.70 H new ATOM 0 HD12 ILE A 16 9.123-314.240 6.752 1.00 24.70 H new ATOM 0 HD13 ILE A 16 9.091-313.366 8.072 1.00 24.70 H new ATOM 138 N VAL A 17 10.962-311.305 2.941 1.00 24.05 N ATOM 139 CA VAL A 17 11.449-310.219 2.107 1.00 23.14 C ATOM 140 C VAL A 17 10.426-309.097 2.118 1.00 25.66 C ATOM 141 O VAL A 17 9.209-309.335 2.068 1.00 15.84 O ATOM 142 CB VAL A 17 11.787-310.656 0.659 1.00 21.74 C ATOM 143 CG1 VAL A 17 12.995-311.560 0.663 1.00 24.15 C ATOM 144 CG2 VAL A 17 10.593-311.340 -0.006 1.00 21.36 C ATOM 0 H VAL A 17 10.248-311.688 2.653 1.00 24.05 H new ATOM 0 HA VAL A 17 12.289-309.911 2.482 1.00 23.14 H new ATOM 0 HB VAL A 17 11.993-309.864 0.139 1.00 21.74 H new ATOM 0 HG11 VAL A 17 13.201-311.830 -0.246 1.00 24.15 H new ATOM 0 HG12 VAL A 17 13.753-311.086 1.039 1.00 24.15 H new ATOM 0 HG13 VAL A 17 12.809-312.347 1.199 1.00 24.15 H new ATOM 0 HG21 VAL A 17 10.832-311.602 -0.909 1.00 21.36 H new ATOM 0 HG22 VAL A 17 10.345-312.127 0.504 1.00 21.36 H new ATOM 0 HG23 VAL A 17 9.843-310.725 -0.036 1.00 21.36 H new ATOM 145 N MET A 18 10.933-307.872 2.190 1.00 20.65 N ATOM 146 CA MET A 18 10.082-306.729 2.407 1.00 16.46 C ATOM 147 C MET A 18 9.941-305.834 1.179 1.00 20.69 C ATOM 148 O MET A 18 10.877-305.661 0.401 1.00 21.36 O ATOM 149 CB MET A 18 10.610-305.905 3.579 1.00 22.51 C ATOM 150 CG MET A 18 10.610-306.617 4.907 1.00 23.93 C ATOM 151 SD MET A 18 10.850-305.402 6.210 1.00 32.95 S ATOM 152 CE MET A 18 11.809-306.338 7.397 1.00 28.75 C ATOM 0 H MET A 18 11.770-307.689 2.115 1.00 20.65 H new ATOM 0 HA MET A 18 9.198-307.078 2.603 1.00 16.46 H new ATOM 0 HB2 MET A 18 11.516-305.624 3.377 1.00 22.51 H new ATOM 0 HB3 MET A 18 10.075-305.100 3.658 1.00 22.51 H new ATOM 0 HG2 MET A 18 9.772-307.088 5.036 1.00 23.93 H new ATOM 0 HG3 MET A 18 11.316-307.282 4.932 1.00 23.93 H new ATOM 0 HE1 MET A 18 12.008-305.780 8.165 1.00 28.75 H new ATOM 0 HE2 MET A 18 11.302-307.113 7.684 1.00 28.75 H new ATOM 0 HE3 MET A 18 12.638-306.629 6.986 1.00 28.75 H new ATOM 153 N GLY A 19 8.761-305.248 1.033 1.00 15.77 N ATOM 154 CA GLY A 19 8.531-304.248 0.011 1.00 22.36 C ATOM 155 C GLY A 19 7.698-304.802 -1.124 1.00 21.90 C ATOM 156 O GLY A 19 7.673-306.007 -1.335 1.00 20.87 O ATOM 0 H GLY A 19 8.075-305.420 1.523 1.00 15.77 H new ATOM 0 HA2 GLY A 19 8.081-303.482 0.401 1.00 22.36 H new ATOM 0 HA3 GLY A 19 9.381-303.933 -0.333 1.00 22.36 H new ATOM 157 N ALA A 20 7.005-303.918 -1.837 1.00 18.49 N ATOM 158 CA ALA A 20 6.147-304.312 -2.953 1.00 22.67 C ATOM 159 C ALA A 20 6.907-305.063 -4.050 1.00 24.94 C ATOM 160 O ALA A 20 6.474-306.132 -4.497 1.00 24.18 O ATOM 161 CB ALA A 20 5.454-303.085 -3.536 1.00 21.72 C ATOM 0 H ALA A 20 7.019-303.071 -1.687 1.00 18.49 H new ATOM 0 HA ALA A 20 5.485-304.927 -2.600 1.00 22.67 H new ATOM 0 HB1 ALA A 20 4.887-303.354 -4.275 1.00 21.72 H new ATOM 0 HB2 ALA A 20 4.913-302.663 -2.851 1.00 21.72 H new ATOM 0 HB3 ALA A 20 6.121-302.456 -3.853 1.00 21.72 H new ATOM 162 N ARG A 21 8.037-304.493 -4.476 1.00 26.12 N ATOM 163 CA ARG A 21 8.855-305.042 -5.559 1.00 24.59 C ATOM 164 C ARG A 21 9.264-306.501 -5.329 1.00 26.68 C ATOM 165 O ARG A 21 9.067-307.350 -6.201 1.00 25.41 O ATOM 166 CB ARG A 21 10.103-304.167 -5.776 1.00 31.09 C ATOM 167 CG ARG A 21 10.812-304.389 -7.114 1.00 42.58 C ATOM 168 CD ARG A 21 12.188-303.723 -7.161 1.00 37.34 C ATOM 169 NE ARG A 21 13.148-304.384 -6.277 1.00 41.34 N ATOM 170 CZ ARG A 21 13.879-305.435 -6.633 1.00 41.32 C ATOM 171 NH1 ARG A 21 13.755-305.934 -7.855 1.00 44.36 N ATOM 172 NH2 ARG A 21 14.731-305.985 -5.775 1.00 39.65 N ATOM 0 H ARG A 21 8.353-303.768 -4.139 1.00 26.12 H new ATOM 0 HA ARG A 21 8.303-305.033 -6.356 1.00 24.59 H new ATOM 0 HB2 ARG A 21 9.845-303.234 -5.711 1.00 31.09 H new ATOM 0 HB3 ARG A 21 10.732-304.338 -5.058 1.00 31.09 H new ATOM 0 HG2 ARG A 21 10.911-305.341 -7.271 1.00 42.58 H new ATOM 0 HG3 ARG A 21 10.261-304.039 -7.831 1.00 42.58 H new ATOM 0 HD2 ARG A 21 12.523-303.739 -8.071 1.00 37.34 H new ATOM 0 HD3 ARG A 21 12.104-302.791 -6.906 1.00 37.34 H new ATOM 0 HE ARG A 21 13.245-304.074 -5.481 1.00 41.34 H new ATOM 0 HH11 ARG A 21 13.204-305.578 -8.411 1.00 44.36 H new ATOM 0 HH12 ARG A 21 14.225-306.614 -8.092 1.00 44.36 H new ATOM 0 HH21 ARG A 21 14.813-305.661 -4.983 1.00 39.65 H new ATOM 0 HH22 ARG A 21 15.201-306.665 -6.012 1.00 39.65 H new ATOM 173 N LYS A 22 9.831-306.795 -4.161 1.00 24.33 N ATOM 174 CA LYS A 22 10.268-308.160 -3.870 1.00 21.68 C ATOM 175 C LYS A 22 9.097-309.105 -3.630 1.00 25.36 C ATOM 176 O LYS A 22 9.203-310.301 -3.902 1.00 23.85 O ATOM 177 CB LYS A 22 11.233-308.192 -2.689 1.00 25.37 C ATOM 178 CG LYS A 22 12.550-307.503 -2.955 1.00 29.69 C ATOM 179 CD LYS A 22 13.399-307.462 -1.703 1.00 30.44 C ATOM 180 CE LYS A 22 14.770-306.882 -1.997 1.00 38.16 C ATOM 181 NZ LYS A 22 15.703-307.121 -0.856 1.00 48.90 N ATOM 0 H LYS A 22 9.971-306.227 -3.530 1.00 24.33 H new ATOM 0 HA LYS A 22 10.736-308.475 -4.659 1.00 21.68 H new ATOM 0 HB2 LYS A 22 10.808-307.773 -1.924 1.00 25.37 H new ATOM 0 HB3 LYS A 22 11.404-309.116 -2.448 1.00 25.37 H new ATOM 0 HG2 LYS A 22 13.027-307.969 -3.659 1.00 29.69 H new ATOM 0 HG3 LYS A 22 12.389-306.600 -3.271 1.00 29.69 H new ATOM 0 HD2 LYS A 22 12.956-306.928 -1.025 1.00 30.44 H new ATOM 0 HD3 LYS A 22 13.493-308.357 -1.342 1.00 30.44 H new ATOM 0 HE2 LYS A 22 15.129-307.283 -2.804 1.00 38.16 H new ATOM 0 HE3 LYS A 22 14.694-305.930 -2.164 1.00 38.16 H new ATOM 0 HZ1 LYS A 22 16.500-306.774 -1.047 1.00 48.90 H new ATOM 0 HZ2 LYS A 22 15.380-306.735 -0.122 1.00 48.90 H new ATOM 0 HZ3 LYS A 22 15.786-307.996 -0.718 1.00 48.90 H new ATOM 182 N SER A 23 7.990-308.569 -3.114 1.00 23.51 N ATOM 183 CA SER A 23 6.768-309.355 -2.918 1.00 23.53 C ATOM 184 C SER A 23 6.215-309.822 -4.262 1.00 24.97 C ATOM 185 O SER A 23 5.943-311.006 -4.465 1.00 22.77 O ATOM 186 CB SER A 23 5.700-308.541 -2.190 1.00 18.20 C ATOM 187 OG SER A 23 6.124-308.202 -0.886 1.00 21.27 O ATOM 0 H SER A 23 7.925-307.747 -2.869 1.00 23.51 H new ATOM 0 HA SER A 23 6.998-310.125 -2.375 1.00 23.53 H new ATOM 0 HB2 SER A 23 5.507-307.733 -2.691 1.00 18.20 H new ATOM 0 HB3 SER A 23 4.876-309.050 -2.144 1.00 18.20 H new ATOM 0 HG SER A 23 6.607-307.516 -0.918 1.00 21.27 H new ATOM 188 N ILE A 24 6.049-308.875 -5.175 1.00 24.25 N ATOM 189 CA ILE A 24 5.599-309.187 -6.517 1.00 22.50 C ATOM 190 C ILE A 24 6.555-310.176 -7.180 1.00 23.44 C ATOM 191 O ILE A 24 6.114-311.152 -7.786 1.00 21.27 O ATOM 192 CB ILE A 24 5.405-307.896 -7.346 1.00 21.56 C ATOM 193 CG1 ILE A 24 4.252-307.081 -6.741 1.00 25.04 C ATOM 194 CG2 ILE A 24 5.139-308.209 -8.817 1.00 19.33 C ATOM 195 CD1 ILE A 24 4.102-305.670 -7.301 1.00 25.86 C ATOM 0 H ILE A 24 6.194-308.039 -5.033 1.00 24.25 H new ATOM 0 HA ILE A 24 4.731-309.618 -6.470 1.00 22.50 H new ATOM 0 HB ILE A 24 6.223-307.375 -7.312 1.00 21.56 H new ATOM 0 HG12 ILE A 24 3.422-307.562 -6.885 1.00 25.04 H new ATOM 0 HG13 ILE A 24 4.383-307.022 -5.782 1.00 25.04 H new ATOM 0 HG21 ILE A 24 5.022-307.381 -9.308 1.00 19.33 H new ATOM 0 HG22 ILE A 24 5.891-308.699 -9.185 1.00 19.33 H new ATOM 0 HG23 ILE A 24 4.335-308.746 -8.893 1.00 19.33 H new ATOM 0 HD11 ILE A 24 3.356-305.227 -6.868 1.00 25.86 H new ATOM 0 HD12 ILE A 24 4.915-305.168 -7.136 1.00 25.86 H new ATOM 0 HD13 ILE A 24 3.940-305.716 -8.256 1.00 25.86 H new ATOM 196 N GLN A 25 7.860-309.942 -7.035 1.00 23.63 N ATOM 197 CA GLN A 25 8.871-310.821 -7.624 1.00 20.48 C ATOM 198 C GLN A 25 8.752-312.260 -7.123 1.00 24.90 C ATOM 199 O GLN A 25 8.735-313.200 -7.918 1.00 23.16 O ATOM 200 CB GLN A 25 10.295-310.294 -7.372 1.00 26.59 C ATOM 0 H GLN A 25 8.182-309.276 -6.597 1.00 23.63 H new ATOM 0 HA GLN A 25 8.704-310.823 -8.579 1.00 20.48 H new ATOM 201 N TYR A 26 8.675-312.423 -5.806 1.00 21.57 N ATOM 202 CA TYR A 26 8.597-313.751 -5.192 1.00 27.55 C ATOM 203 C TYR A 26 7.242-314.404 -5.455 1.00 22.08 C ATOM 204 O TYR A 26 7.138-315.631 -5.529 1.00 25.11 O ATOM 205 CB TYR A 26 8.898-313.674 -3.687 1.00 24.41 C ATOM 206 CG TYR A 26 10.379-313.670 -3.395 1.00 27.20 C ATOM 207 CD1 TYR A 26 10.992-314.760 -2.798 1.00 26.98 C ATOM 208 CD2 TYR A 26 11.173-312.584 -3.747 1.00 27.02 C ATOM 209 CE1 TYR A 26 12.354-314.763 -2.541 1.00 28.92 C ATOM 210 CE2 TYR A 26 12.533-312.580 -3.498 1.00 29.49 C ATOM 211 CZ TYR A 26 13.118-313.670 -2.894 1.00 28.35 C ATOM 212 OH TYR A 26 14.474-313.668 -2.649 1.00 32.26 O ATOM 0 H TYR A 26 8.666-311.773 -5.243 1.00 21.57 H new ATOM 0 HA TYR A 26 9.273-314.311 -5.603 1.00 27.55 H new ATOM 0 HB2 TYR A 26 8.497-312.871 -3.320 1.00 24.41 H new ATOM 0 HB3 TYR A 26 8.485-314.428 -3.238 1.00 24.41 H new ATOM 0 HD1 TYR A 26 10.481-315.502 -2.566 1.00 26.98 H new ATOM 0 HD2 TYR A 26 10.782-311.847 -4.157 1.00 27.02 H new ATOM 0 HE1 TYR A 26 12.751-315.498 -2.133 1.00 28.92 H new ATOM 0 HE2 TYR A 26 13.050-311.845 -3.737 1.00 29.49 H new ATOM 0 HH TYR A 26 14.806-312.944 -2.916 1.00 32.26 H new ATOM 213 N ALA A 27 6.211-313.575 -5.590 1.00 19.69 N ATOM 214 CA ALA A 27 4.903-314.060 -5.998 1.00 25.18 C ATOM 215 C ALA A 27 5.019-314.590 -7.411 1.00 23.94 C ATOM 216 O ALA A 27 4.664-315.738 -7.687 1.00 23.71 O ATOM 217 CB ALA A 27 3.867-312.949 -5.936 1.00 25.13 C ATOM 0 H ALA A 27 6.251-312.728 -5.449 1.00 19.69 H new ATOM 0 HA ALA A 27 4.613-314.763 -5.396 1.00 25.18 H new ATOM 0 HB1 ALA A 27 3.004-313.295 -6.212 1.00 25.13 H new ATOM 0 HB2 ALA A 27 3.805-312.614 -5.028 1.00 25.13 H new ATOM 0 HB3 ALA A 27 4.130-312.228 -6.529 1.00 25.13 H new ATOM 218 N LYS A 28 5.540-313.744 -8.300 1.00 24.08 N ATOM 219 CA LYS A 28 5.686-314.088 -9.715 1.00 26.37 C ATOM 220 C LYS A 28 6.440-315.403 -9.921 1.00 24.10 C ATOM 221 O LYS A 28 6.081-316.195 -10.788 1.00 26.94 O ATOM 222 CB LYS A 28 6.370-312.943 -10.485 1.00 27.69 C ATOM 223 CG LYS A 28 5.694-312.580 -11.800 1.00 28.01 C ATOM 224 CD LYS A 28 6.610-311.745 -12.701 1.00 32.87 C ATOM 225 CE LYS A 28 6.541-310.264 -12.364 1.00 27.13 C ATOM 226 NZ LYS A 28 7.383-309.439 -13.285 1.00 36.54 N ATOM 0 H LYS A 28 5.818-312.955 -8.100 1.00 24.08 H new ATOM 0 HA LYS A 28 4.792-314.215 -10.070 1.00 26.37 H new ATOM 0 HB2 LYS A 28 6.395-312.156 -9.918 1.00 27.69 H new ATOM 0 HB3 LYS A 28 7.290-313.193 -10.665 1.00 27.69 H new ATOM 0 HG2 LYS A 28 5.435-313.391 -12.265 1.00 28.01 H new ATOM 0 HG3 LYS A 28 4.880-312.085 -11.619 1.00 28.01 H new ATOM 0 HD2 LYS A 28 7.524-312.055 -12.608 1.00 32.87 H new ATOM 0 HD3 LYS A 28 6.359-311.877 -13.628 1.00 32.87 H new ATOM 0 HE2 LYS A 28 5.620-309.964 -12.414 1.00 27.13 H new ATOM 0 HE3 LYS A 28 6.834-310.127 -11.450 1.00 27.13 H new ATOM 0 HZ1 LYS A 28 7.318-308.581 -13.058 1.00 36.54 H new ATOM 0 HZ2 LYS A 28 8.232-309.698 -13.223 1.00 36.54 H new ATOM 0 HZ3 LYS A 28 7.100-309.546 -14.122 1.00 36.54 H new ATOM 227 N MET A 29 7.467-315.645 -9.110 1.00 25.35 N ATOM 228 CA MET A 29 8.347-316.805 -9.307 1.00 23.10 C ATOM 229 C MET A 29 7.987-318.049 -8.477 1.00 24.11 C ATOM 230 O MET A 29 8.678-319.059 -8.549 1.00 30.64 O ATOM 231 CB MET A 29 9.808-316.408 -9.045 1.00 30.53 C ATOM 232 CG MET A 29 10.305-316.762 -7.643 1.00 31.19 C ATOM 233 SD MET A 29 11.922-316.076 -7.212 1.00 50.61 S ATOM 234 CE MET A 29 11.539-314.331 -7.115 1.00 29.79 C ATOM 0 H MET A 29 7.675-315.151 -8.437 1.00 25.35 H new ATOM 0 HA MET A 29 8.218-317.067 -10.232 1.00 23.10 H new ATOM 0 HB2 MET A 29 10.375-316.845 -9.699 1.00 30.53 H new ATOM 0 HB3 MET A 29 9.903-315.452 -9.181 1.00 30.53 H new ATOM 0 HG2 MET A 29 9.653-316.451 -6.995 1.00 31.19 H new ATOM 0 HG3 MET A 29 10.346-317.728 -7.563 1.00 31.19 H new ATOM 0 HE1 MET A 29 12.225-313.823 -7.575 1.00 29.79 H new ATOM 0 HE2 MET A 29 10.679-314.165 -7.532 1.00 29.79 H new ATOM 0 HE3 MET A 29 11.505-314.058 -6.185 1.00 29.79 H new ATOM 235 N GLY A 30 6.917-317.987 -7.692 1.00 22.38 N ATOM 236 CA GLY A 30 6.490-319.145 -6.923 1.00 27.39 C ATOM 237 C GLY A 30 7.254-319.403 -5.628 1.00 25.61 C ATOM 238 O GLY A 30 7.052-320.430 -4.973 1.00 23.24 O ATOM 0 H GLY A 30 6.428-317.287 -7.592 1.00 22.38 H new ATOM 0 HA2 GLY A 30 5.550-319.040 -6.708 1.00 27.39 H new ATOM 0 HA3 GLY A 30 6.567-319.931 -7.486 1.00 27.39 H new ATOM 239 N GLY A 31 8.108-318.458 -5.242 1.00 26.65 N ATOM 240 CA GLY A 31 8.951-318.604 -4.064 1.00 29.71 C ATOM 241 C GLY A 31 8.441-318.120 -2.706 1.00 24.18 C ATOM 242 O GLY A 31 9.061-318.407 -1.693 1.00 26.54 O ATOM 0 H GLY A 31 8.213-317.713 -5.659 1.00 26.65 H new ATOM 0 HA2 GLY A 31 9.165-319.546 -3.975 1.00 29.71 H new ATOM 0 HA3 GLY A 31 9.784-318.140 -4.244 1.00 29.71 H new ATOM 243 N ALA A 32 7.338-317.381 -2.666 1.00 24.86 N ATOM 244 CA ALA A 32 6.729-317.015 -1.387 1.00 19.51 C ATOM 245 C ALA A 32 5.681-318.049 -0.999 1.00 22.81 C ATOM 246 O ALA A 32 5.082-318.682 -1.867 1.00 22.00 O ATOM 247 CB ALA A 32 6.100-315.640 -1.465 1.00 21.70 C ATOM 0 H ALA A 32 6.928-317.082 -3.360 1.00 24.86 H new ATOM 0 HA ALA A 32 7.423-316.994 -0.710 1.00 19.51 H new ATOM 0 HB1 ALA A 32 5.703-315.417 -0.609 1.00 21.70 H new ATOM 0 HB2 ALA A 32 6.780-314.985 -1.686 1.00 21.70 H new ATOM 0 HB3 ALA A 32 5.414-315.636 -2.150 1.00 21.70 H new ATOM 248 N LYS A 33 5.455-318.217 0.300 1.00 19.74 N ATOM 249 CA LYS A 33 4.418-319.123 0.782 1.00 14.50 C ATOM 250 C LYS A 33 3.235-318.318 1.301 1.00 16.71 C ATOM 251 O LYS A 33 2.161-318.855 1.540 1.00 14.23 O ATOM 252 CB LYS A 33 4.966-320.049 1.869 1.00 18.16 C ATOM 253 CG LYS A 33 6.148-320.876 1.399 1.00 21.31 C ATOM 254 CD LYS A 33 6.435-322.031 2.340 1.00 22.34 C ATOM 255 CE LYS A 33 7.428-323.015 1.724 1.00 27.13 C ATOM 256 NZ LYS A 33 8.790-322.437 1.580 1.00 23.88 N ATOM 0 H LYS A 33 5.893-317.814 0.921 1.00 19.74 H new ATOM 0 HA LYS A 33 4.120-319.679 0.045 1.00 14.50 H new ATOM 0 HB2 LYS A 33 5.233-319.518 2.636 1.00 18.16 H new ATOM 0 HB3 LYS A 33 4.260-320.643 2.168 1.00 18.16 H new ATOM 0 HG2 LYS A 33 5.969-321.220 0.510 1.00 21.31 H new ATOM 0 HG3 LYS A 33 6.933-320.310 1.332 1.00 21.31 H new ATOM 0 HD2 LYS A 33 6.791-321.690 3.175 1.00 22.34 H new ATOM 0 HD3 LYS A 33 5.608-322.492 2.551 1.00 22.34 H new ATOM 0 HE2 LYS A 33 7.475-323.811 2.277 1.00 27.13 H new ATOM 0 HE3 LYS A 33 7.105-323.293 0.853 1.00 27.13 H new ATOM 0 HZ1 LYS A 33 9.315-323.015 1.153 1.00 23.88 H new ATOM 0 HZ2 LYS A 33 8.744-321.680 1.115 1.00 23.88 H new ATOM 0 HZ3 LYS A 33 9.128-322.269 2.386 1.00 23.88 H new ATOM 257 N LEU A 34 3.452-317.014 1.464 1.00 16.98 N ATOM 258 CA LEU A 34 2.426-316.100 1.939 1.00 14.03 C ATOM 259 C LEU A 34 2.814-314.653 1.621 1.00 17.48 C ATOM 260 O LEU A 34 3.965-314.247 1.802 1.00 12.79 O ATOM 261 CB LEU A 34 2.218-316.244 3.448 1.00 13.63 C ATOM 262 CG LEU A 34 1.239-315.249 4.089 1.00 19.22 C ATOM 263 CD1 LEU A 34 -0.188-315.665 3.806 1.00 15.97 C ATOM 264 CD2 LEU A 34 1.465-315.107 5.596 1.00 17.41 C ATOM 0 H LEU A 34 4.207-316.636 1.300 1.00 16.98 H new ATOM 0 HA LEU A 34 1.599-316.323 1.485 1.00 14.03 H new ATOM 0 HB2 LEU A 34 1.903-317.143 3.629 1.00 13.63 H new ATOM 0 HB3 LEU A 34 3.079-316.152 3.886 1.00 13.63 H new ATOM 0 HG LEU A 34 1.404-314.380 3.691 1.00 19.22 H new ATOM 0 HD11 LEU A 34 -0.797-315.031 4.215 1.00 15.97 H new ATOM 0 HD12 LEU A 34 -0.336-315.683 2.848 1.00 15.97 H new ATOM 0 HD13 LEU A 34 -0.347-316.548 4.174 1.00 15.97 H new ATOM 0 HD21 LEU A 34 0.829-314.472 5.960 1.00 17.41 H new ATOM 0 HD22 LEU A 34 1.343-315.969 6.024 1.00 17.41 H new ATOM 0 HD23 LEU A 34 2.367-314.790 5.760 1.00 17.41 H new ATOM 265 N ILE A 35 1.849-313.879 1.148 1.00 12.05 N ATOM 266 CA ILE A 35 2.058-312.450 0.993 1.00 12.41 C ATOM 267 C ILE A 35 1.167-311.680 1.958 1.00 14.04 C ATOM 268 O ILE A 35 -0.020-311.989 2.116 1.00 12.57 O ATOM 269 CB ILE A 35 1.812-311.984 -0.453 1.00 15.55 C ATOM 270 CG1 ILE A 35 2.668-312.799 -1.412 1.00 17.61 C ATOM 271 CG2 ILE A 35 2.135-310.479 -0.591 1.00 17.05 C ATOM 272 CD1 ILE A 35 2.228-312.687 -2.837 1.00 27.83 C ATOM 0 H ILE A 35 1.071-314.159 0.912 1.00 12.05 H new ATOM 0 HA ILE A 35 2.988-312.267 1.201 1.00 12.41 H new ATOM 0 HB ILE A 35 0.877-312.120 -0.674 1.00 15.55 H new ATOM 0 HG12 ILE A 35 3.590-312.507 -1.341 1.00 17.61 H new ATOM 0 HG13 ILE A 35 2.644-313.731 -1.145 1.00 17.61 H new ATOM 0 HG21 ILE A 35 1.977-310.196 -1.505 1.00 17.05 H new ATOM 0 HG22 ILE A 35 1.567-309.970 0.008 1.00 17.05 H new ATOM 0 HG23 ILE A 35 3.065-310.325 -0.362 1.00 17.05 H new ATOM 0 HD11 ILE A 35 2.808-313.225 -3.398 1.00 27.83 H new ATOM 0 HD12 ILE A 35 1.315-313.003 -2.920 1.00 27.83 H new ATOM 0 HD13 ILE A 35 2.275-311.760 -3.119 1.00 27.83 H new ATOM 273 N ILE A 36 1.764-310.691 2.621 1.00 15.71 N ATOM 274 CA ILE A 36 1.052-309.817 3.548 1.00 15.18 C ATOM 275 C ILE A 36 1.053-308.400 2.966 1.00 15.51 C ATOM 276 O ILE A 36 2.099-307.905 2.544 1.00 13.09 O ATOM 277 CB ILE A 36 1.716-309.833 4.938 1.00 14.06 C ATOM 278 CG1 ILE A 36 1.662-311.255 5.528 1.00 18.81 C ATOM 279 CG2 ILE A 36 1.053-308.845 5.883 1.00 13.27 C ATOM 280 CD1 ILE A 36 2.412-311.398 6.822 1.00 21.31 C ATOM 0 H ILE A 36 2.601-310.508 2.544 1.00 15.71 H new ATOM 0 HA ILE A 36 0.141-310.130 3.660 1.00 15.18 H new ATOM 0 HB ILE A 36 2.642-309.564 4.833 1.00 14.06 H new ATOM 0 HG12 ILE A 36 0.735-311.503 5.671 1.00 18.81 H new ATOM 0 HG13 ILE A 36 2.026-311.879 4.881 1.00 18.81 H new ATOM 0 HG21 ILE A 36 1.492-308.879 6.747 1.00 13.27 H new ATOM 0 HG22 ILE A 36 1.126-307.949 5.518 1.00 13.27 H new ATOM 0 HG23 ILE A 36 0.117-309.076 5.988 1.00 13.27 H new ATOM 0 HD11 ILE A 36 2.339-312.312 7.139 1.00 21.31 H new ATOM 0 HD12 ILE A 36 3.346-311.179 6.681 1.00 21.31 H new ATOM 0 HD13 ILE A 36 2.035-310.796 7.483 1.00 21.31 H new ATOM 281 N VAL A 37 -0.120-307.769 2.931 1.00 13.45 N ATOM 282 CA VAL A 37 -0.269-306.428 2.362 1.00 14.18 C ATOM 283 C VAL A 37 -0.972-305.483 3.344 1.00 15.06 C ATOM 284 O VAL A 37 -2.018-305.818 3.901 1.00 17.87 O ATOM 285 CB VAL A 37 -1.061-306.448 1.018 1.00 14.22 C ATOM 286 CG1 VAL A 37 -0.527-307.533 0.097 1.00 17.65 C ATOM 287 CG2 VAL A 37 -2.543-306.667 1.273 1.00 19.34 C ATOM 0 H VAL A 37 -0.851-308.105 3.236 1.00 13.45 H new ATOM 0 HA VAL A 37 0.628-306.104 2.188 1.00 14.18 H new ATOM 0 HB VAL A 37 -0.943-305.587 0.587 1.00 14.22 H new ATOM 0 HG11 VAL A 37 -1.030-307.531 -0.732 1.00 17.65 H new ATOM 0 HG12 VAL A 37 0.409-307.364 -0.093 1.00 17.65 H new ATOM 0 HG13 VAL A 37 -0.618-308.397 0.528 1.00 17.65 H new ATOM 0 HG21 VAL A 37 -3.019-306.677 0.428 1.00 19.34 H new ATOM 0 HG22 VAL A 37 -2.672-307.515 1.726 1.00 19.34 H new ATOM 0 HG23 VAL A 37 -2.886-305.949 1.828 1.00 19.34 H new ATOM 288 N ALA A 38 -0.393-304.305 3.557 1.00 15.33 N ATOM 289 CA ALA A 38 -1.005-303.311 4.439 1.00 14.15 C ATOM 290 C ALA A 38 -2.264-302.747 3.796 1.00 16.96 C ATOM 291 O ALA A 38 -2.413-302.764 2.577 1.00 15.94 O ATOM 292 CB ALA A 38 -0.033-302.189 4.754 1.00 16.29 C ATOM 0 H ALA A 38 0.352-304.061 3.203 1.00 15.33 H new ATOM 0 HA ALA A 38 -1.241-303.749 5.272 1.00 14.15 H new ATOM 0 HB1 ALA A 38 -0.461-301.544 5.339 1.00 16.29 H new ATOM 0 HB2 ALA A 38 0.751-302.554 5.194 1.00 16.29 H new ATOM 0 HB3 ALA A 38 0.234-301.751 3.931 1.00 16.29 H new ATOM 293 N ARG A 39 -3.163-302.230 4.621 1.00 19.33 N ATOM 294 CA ARG A 39 -4.463-301.778 4.138 1.00 18.59 C ATOM 295 C ARG A 39 -4.371-300.614 3.134 1.00 23.76 C ATOM 296 O ARG A 39 -5.258-300.435 2.297 1.00 22.63 O ATOM 297 CB ARG A 39 -5.364-301.409 5.324 1.00 24.96 C ATOM 298 CG ARG A 39 -6.794-301.084 4.932 1.00 29.19 C ATOM 299 CD ARG A 39 -7.627-300.703 6.136 1.00 32.12 C ATOM 300 NE ARG A 39 -6.975-299.715 6.998 1.00 38.14 N ATOM 301 CZ ARG A 39 -6.867-299.847 8.318 1.00 33.75 C ATOM 302 NH1 ARG A 39 -7.360-300.930 8.905 1.00 31.25 N ATOM 303 NH2 ARG A 39 -6.271-298.909 9.049 1.00 28.01 N ATOM 0 H ARG A 39 -3.041-302.131 5.467 1.00 19.33 H new ATOM 0 HA ARG A 39 -4.856-302.519 3.650 1.00 18.59 H new ATOM 0 HB2 ARG A 39 -5.370-302.145 5.955 1.00 24.96 H new ATOM 0 HB3 ARG A 39 -4.982-300.645 5.783 1.00 24.96 H new ATOM 0 HG2 ARG A 39 -6.797-300.356 4.291 1.00 29.19 H new ATOM 0 HG3 ARG A 39 -7.192-301.851 4.491 1.00 29.19 H new ATOM 0 HD2 ARG A 39 -8.478-300.349 5.834 1.00 32.12 H new ATOM 0 HD3 ARG A 39 -7.819-301.500 6.655 1.00 32.12 H new ATOM 0 HE ARG A 39 -6.644-299.011 6.631 1.00 38.14 H new ATOM 0 HH11 ARG A 39 -7.744-301.538 8.433 1.00 31.25 H new ATOM 0 HH12 ARG A 39 -7.295-301.024 9.757 1.00 31.25 H new ATOM 0 HH21 ARG A 39 -5.950-298.207 8.669 1.00 28.01 H new ATOM 0 HH22 ARG A 39 -6.207-299.004 9.901 1.00 28.01 H new ATOM 304 N ASN A 40 -3.300-299.828 3.220 1.00 20.49 N ATOM 305 CA ASN A 40 -3.130-298.662 2.354 1.00 19.95 C ATOM 306 C ASN A 40 -2.062-298.851 1.289 1.00 25.24 C ATOM 307 O ASN A 40 -1.536-297.868 0.766 1.00 25.97 O ATOM 308 CB ASN A 40 -2.780-297.420 3.177 1.00 23.80 C ATOM 309 CG ASN A 40 -1.407-297.519 3.814 1.00 23.93 C ATOM 310 OD1 ASN A 40 -1.079-298.525 4.454 1.00 23.29 O ATOM 311 ND2 ASN A 40 -0.585-296.487 3.622 1.00 22.55 N ATOM 0 H ASN A 40 -2.656-299.953 3.777 1.00 20.49 H new ATOM 0 HA ASN A 40 -3.982-298.547 1.905 1.00 19.95 H new ATOM 0 HB2 ASN A 40 -2.814-296.636 2.606 1.00 23.80 H new ATOM 0 HB3 ASN A 40 -3.447-297.295 3.870 1.00 23.80 H new ATOM 0 HD21 ASN A 40 0.210-296.504 3.949 1.00 22.55 H new ATOM 0 HD22 ASN A 40 -0.850-295.804 3.171 1.00 22.55 H new ATOM 312 N ALA A 41 -1.726-300.104 0.979 1.00 19.83 N ATOM 313 CA ALA A 41 -0.867-300.380 -0.164 1.00 22.00 C ATOM 314 C ALA A 41 -1.471-299.650 -1.360 1.00 21.39 C ATOM 315 O ALA A 41 -2.689-299.514 -1.445 1.00 22.66 O ATOM 316 CB ALA A 41 -0.806-301.871 -0.440 1.00 17.44 C ATOM 0 H ALA A 41 -1.984-300.799 1.415 1.00 19.83 H new ATOM 0 HA ALA A 41 0.039-300.079 0.009 1.00 22.00 H new ATOM 0 HB1 ALA A 41 -0.230-302.036 -1.203 1.00 17.44 H new ATOM 0 HB2 ALA A 41 -0.451-302.330 0.337 1.00 17.44 H new ATOM 0 HB3 ALA A 41 -1.698-302.202 -0.631 1.00 17.44 H new ATOM 317 N ARG A 42 -0.626-299.167 -2.266 1.00 21.84 N ATOM 318 CA ARG A 42 -1.121-298.555 -3.495 1.00 20.56 C ATOM 319 C ARG A 42 -2.023-299.582 -4.196 1.00 26.30 C ATOM 320 O ARG A 42 -1.639-300.735 -4.373 1.00 21.02 O ATOM 321 CB ARG A 42 0.041-298.136 -4.390 1.00 22.53 C ATOM 322 CG ARG A 42 -0.228-296.874 -5.189 1.00 28.77 C ATOM 323 CD ARG A 42 1.036-296.404 -5.872 1.00 27.43 C ATOM 324 NE ARG A 42 1.303-297.147 -7.100 1.00 35.40 N ATOM 325 CZ ARG A 42 2.439-297.073 -7.785 1.00 37.24 C ATOM 326 NH1 ARG A 42 3.425-296.299 -7.347 1.00 42.25 N ATOM 327 NH2 ARG A 42 2.594-297.776 -8.901 1.00 40.30 N ATOM 0 H ARG A 42 0.230-299.183 -2.190 1.00 21.84 H new ATOM 0 HA ARG A 42 -1.628-297.752 -3.297 1.00 20.56 H new ATOM 0 HB2 ARG A 42 0.829-298.000 -3.841 1.00 22.53 H new ATOM 0 HB3 ARG A 42 0.244-298.860 -5.003 1.00 22.53 H new ATOM 0 HG2 ARG A 42 -0.916-297.044 -5.851 1.00 28.77 H new ATOM 0 HG3 ARG A 42 -0.564-296.178 -4.603 1.00 28.77 H new ATOM 0 HD2 ARG A 42 0.960-295.459 -6.077 1.00 27.43 H new ATOM 0 HD3 ARG A 42 1.786-296.503 -5.265 1.00 27.43 H new ATOM 0 HE ARG A 42 0.686-297.666 -7.399 1.00 35.40 H new ATOM 0 HH11 ARG A 42 3.327-295.847 -6.622 1.00 42.25 H new ATOM 0 HH12 ARG A 42 4.161-296.249 -7.789 1.00 42.25 H new ATOM 0 HH21 ARG A 42 1.958-298.281 -9.183 1.00 40.30 H new ATOM 0 HH22 ARG A 42 3.331-297.726 -9.342 1.00 40.30 H new ATOM 328 N PRO A 43 -3.237-299.168 -4.577 1.00 26.39 N ATOM 329 CA PRO A 43 -4.256-300.119 -5.034 1.00 26.23 C ATOM 330 C PRO A 43 -3.794-301.005 -6.191 1.00 27.43 C ATOM 331 O PRO A 43 -4.257-302.142 -6.324 1.00 25.04 O ATOM 332 CB PRO A 43 -5.406-299.209 -5.481 1.00 29.87 C ATOM 333 CG PRO A 43 -5.207-297.934 -4.704 1.00 25.02 C ATOM 334 CD PRO A 43 -3.724-297.775 -4.585 1.00 24.01 C ATOM 0 HA PRO A 43 -4.490-300.748 -4.334 1.00 26.23 H new ATOM 0 HB2 PRO A 43 -5.377-299.048 -6.437 1.00 29.87 H new ATOM 0 HB3 PRO A 43 -6.268-299.609 -5.287 1.00 29.87 H new ATOM 0 HG2 PRO A 43 -5.605-297.178 -5.163 1.00 25.02 H new ATOM 0 HG3 PRO A 43 -5.625-297.987 -3.830 1.00 25.02 H new ATOM 0 HD2 PRO A 43 -3.357-297.271 -5.328 1.00 24.01 H new ATOM 0 HD3 PRO A 43 -3.478-297.304 -3.773 1.00 24.01 H new ATOM 335 N ASP A 44 -2.902-300.482 -7.020 1.00 24.11 N ATOM 336 CA ASP A 44 -2.442-301.192 -8.209 1.00 28.73 C ATOM 337 C ASP A 44 -1.377-302.207 -7.831 1.00 22.86 C ATOM 338 O ASP A 44 -1.230-303.242 -8.471 1.00 23.45 O ATOM 339 CB ASP A 44 -1.876-300.191 -9.219 1.00 28.60 C ATOM 340 CG ASP A 44 -0.883-299.236 -8.583 1.00 33.55 C ATOM 341 OD1 ASP A 44 -1.315-298.144 -8.157 1.00 35.01 O ATOM 342 OD2 ASP A 44 0.320-299.584 -8.484 1.00 32.60 O ATOM 0 H ASP A 44 -2.545-299.707 -6.911 1.00 24.11 H new ATOM 0 HA ASP A 44 -3.191-301.660 -8.609 1.00 28.73 H new ATOM 0 HB2 ASP A 44 -1.443-300.672 -9.941 1.00 28.60 H new ATOM 0 HB3 ASP A 44 -2.604-299.684 -9.612 1.00 28.60 H new ATOM 343 N ILE A 45 -0.631-301.895 -6.782 1.00 24.69 N ATOM 344 CA ILE A 45 0.381-302.789 -6.251 1.00 25.15 C ATOM 345 C ILE A 45 -0.281-303.945 -5.511 1.00 25.09 C ATOM 346 O ILE A 45 0.188-305.078 -5.556 1.00 23.10 O ATOM 347 CB ILE A 45 1.292-302.047 -5.272 1.00 25.99 C ATOM 348 CG1 ILE A 45 2.051-300.932 -5.998 1.00 29.37 C ATOM 349 CG2 ILE A 45 2.241-303.010 -4.623 1.00 27.63 C ATOM 350 CD1 ILE A 45 2.804-300.006 -5.068 1.00 34.46 C ATOM 0 H ILE A 45 -0.699-301.151 -6.355 1.00 24.69 H new ATOM 0 HA ILE A 45 0.906-303.124 -6.995 1.00 25.15 H new ATOM 0 HB ILE A 45 0.750-301.640 -4.578 1.00 25.99 H new ATOM 0 HG12 ILE A 45 2.678-301.331 -6.622 1.00 29.37 H new ATOM 0 HG13 ILE A 45 1.422-300.411 -6.522 1.00 29.37 H new ATOM 0 HG21 ILE A 45 2.815-302.532 -4.004 1.00 27.63 H new ATOM 0 HG22 ILE A 45 1.738-303.685 -4.141 1.00 27.63 H new ATOM 0 HG23 ILE A 45 2.785-303.437 -5.303 1.00 27.63 H new ATOM 0 HD11 ILE A 45 3.261-299.326 -5.588 1.00 34.46 H new ATOM 0 HD12 ILE A 45 2.180-299.582 -4.459 1.00 34.46 H new ATOM 0 HD13 ILE A 45 3.455-300.516 -4.561 1.00 34.46 H new ATOM 351 N ALA A 46 -1.367-303.636 -4.812 1.00 23.57 N ATOM 352 CA ALA A 46 -2.162-304.650 -4.135 1.00 23.91 C ATOM 353 C ALA A 46 -2.817-305.558 -5.163 1.00 22.78 C ATOM 354 O ALA A 46 -2.855-306.772 -5.000 1.00 18.19 O ATOM 355 CB ALA A 46 -3.214-303.995 -3.246 1.00 22.58 C ATOM 0 H ALA A 46 -1.663-302.834 -4.717 1.00 23.57 H new ATOM 0 HA ALA A 46 -1.582-305.184 -3.571 1.00 23.91 H new ATOM 0 HB1 ALA A 46 -3.736-304.682 -2.802 1.00 22.58 H new ATOM 0 HB2 ALA A 46 -2.776-303.441 -2.581 1.00 22.58 H new ATOM 0 HB3 ALA A 46 -3.800-303.445 -3.789 1.00 22.58 H new ATOM 356 N GLU A 47 -3.330-304.969 -6.236 1.00 22.06 N ATOM 357 CA GLU A 47 -3.948-305.769 -7.289 1.00 22.14 C ATOM 358 C GLU A 47 -2.944-306.625 -8.083 1.00 18.81 C ATOM 359 O GLU A 47 -3.250-307.759 -8.430 1.00 20.71 O ATOM 360 CB GLU A 47 -4.836-304.894 -8.178 1.00 19.76 C ATOM 361 CG GLU A 47 -5.987-304.275 -7.388 1.00 26.08 C ATOM 362 CD GLU A 47 -6.804-303.284 -8.198 1.00 40.47 C ATOM 363 OE1 GLU A 47 -6.840-303.428 -9.441 1.00 43.00 O ATOM 364 OE2 GLU A 47 -7.411-302.362 -7.598 1.00 35.49 O ATOM 0 H GLU A 47 -3.332-304.120 -6.374 1.00 22.06 H new ATOM 0 HA GLU A 47 -4.521-306.421 -6.856 1.00 22.14 H new ATOM 0 HB2 GLU A 47 -4.301-304.190 -8.577 1.00 19.76 H new ATOM 0 HB3 GLU A 47 -5.192-305.427 -8.906 1.00 19.76 H new ATOM 0 HG2 GLU A 47 -6.570-304.982 -7.070 1.00 26.08 H new ATOM 0 HG3 GLU A 47 -5.630-303.827 -6.605 1.00 26.08 H new ATOM 365 N ASP A 48 -1.744-306.103 -8.334 1.00 19.76 N ATOM 366 CA ASP A 48 -0.647-306.904 -8.895 1.00 18.51 C ATOM 367 C ASP A 48 -0.272-308.094 -8.020 1.00 21.77 C ATOM 368 O ASP A 48 -0.119-309.207 -8.520 1.00 20.61 O ATOM 369 CB ASP A 48 0.612-306.059 -9.120 1.00 21.01 C ATOM 370 CG ASP A 48 0.677-305.468 -10.512 1.00 24.68 C ATOM 371 OD1 ASP A 48 -0.291-305.653 -11.270 1.00 23.40 O ATOM 372 OD2 ASP A 48 1.700-304.823 -10.845 1.00 29.29 O ATOM 0 H ASP A 48 -1.540-305.281 -8.186 1.00 19.76 H new ATOM 0 HA ASP A 48 -0.983-307.234 -9.743 1.00 18.51 H new ATOM 0 HB2 ASP A 48 0.637-305.342 -8.467 1.00 21.01 H new ATOM 0 HB3 ASP A 48 1.397-306.608 -8.969 1.00 21.01 H new ATOM 373 N ILE A 49 -0.088-307.858 -6.723 1.00 17.60 N ATOM 374 CA ILE A 49 0.209-308.959 -5.811 1.00 17.65 C ATOM 375 C ILE A 49 -0.884-310.016 -5.853 1.00 19.24 C ATOM 376 O ILE A 49 -0.611-311.218 -5.979 1.00 16.38 O ATOM 377 CB ILE A 49 0.336-308.493 -4.370 1.00 21.17 C ATOM 378 CG1 ILE A 49 1.517-307.527 -4.232 1.00 25.23 C ATOM 379 CG2 ILE A 49 0.500-309.706 -3.456 1.00 17.04 C ATOM 380 CD1 ILE A 49 1.852-307.186 -2.795 1.00 24.62 C ATOM 0 H ILE A 49 -0.130-307.081 -6.356 1.00 17.60 H new ATOM 0 HA ILE A 49 1.055-309.328 -6.110 1.00 17.65 H new ATOM 0 HB ILE A 49 -0.468-308.018 -4.107 1.00 21.17 H new ATOM 0 HG12 ILE A 49 2.297-307.919 -4.655 1.00 25.23 H new ATOM 0 HG13 ILE A 49 1.315-306.709 -4.713 1.00 25.23 H new ATOM 0 HG21 ILE A 49 0.581-309.410 -2.536 1.00 17.04 H new ATOM 0 HG22 ILE A 49 -0.275-310.283 -3.542 1.00 17.04 H new ATOM 0 HG23 ILE A 49 1.298-310.196 -3.709 1.00 17.04 H new ATOM 0 HD11 ILE A 49 2.604-306.574 -2.774 1.00 24.62 H new ATOM 0 HD12 ILE A 49 1.084-306.769 -2.374 1.00 24.62 H new ATOM 0 HD13 ILE A 49 2.082-307.997 -2.315 1.00 24.62 H new ATOM 381 N GLU A 50 -2.126-309.558 -5.748 1.00 16.66 N ATOM 382 CA GLU A 50 -3.259-310.454 -5.777 1.00 19.90 C ATOM 383 C GLU A 50 -3.227-311.284 -7.047 1.00 19.47 C ATOM 384 O GLU A 50 -3.461-312.498 -7.021 1.00 18.51 O ATOM 385 CB GLU A 50 -4.556-309.661 -5.748 1.00 25.26 C ATOM 386 CG GLU A 50 -4.979-309.180 -4.387 1.00 32.30 C ATOM 387 CD GLU A 50 -6.381-308.610 -4.422 1.00 39.80 C ATOM 388 OE1 GLU A 50 -6.541-307.424 -4.051 1.00 32.73 O ATOM 389 OE2 GLU A 50 -7.310-309.352 -4.834 1.00 42.81 O ATOM 0 H GLU A 50 -2.329-308.727 -5.659 1.00 16.66 H new ATOM 0 HA GLU A 50 -3.213-311.033 -5.000 1.00 19.90 H new ATOM 0 HB2 GLU A 50 -4.462-308.893 -6.333 1.00 25.26 H new ATOM 0 HB3 GLU A 50 -5.264-310.212 -6.116 1.00 25.26 H new ATOM 0 HG2 GLU A 50 -4.941-309.915 -3.755 1.00 32.30 H new ATOM 0 HG3 GLU A 50 -4.359-308.503 -4.073 1.00 32.30 H new ATOM 390 N TYR A 51 -2.957-310.614 -8.165 1.00 18.28 N ATOM 391 CA TYR A 51 -2.904-311.287 -9.450 1.00 21.70 C ATOM 392 C TYR A 51 -1.817-312.373 -9.509 1.00 19.73 C ATOM 393 O TYR A 51 -2.109-313.529 -9.807 1.00 17.05 O ATOM 394 CB TYR A 51 -2.714-310.292 -10.601 1.00 21.89 C ATOM 395 CG TYR A 51 -2.378-311.006 -11.897 1.00 22.28 C ATOM 396 CD1 TYR A 51 -3.299-311.866 -12.494 1.00 20.24 C ATOM 397 CD2 TYR A 51 -1.135-310.852 -12.499 1.00 18.60 C ATOM 398 CE1 TYR A 51 -3.000-312.540 -13.670 1.00 19.92 C ATOM 399 CE2 TYR A 51 -0.823-311.522 -13.670 1.00 22.04 C ATOM 400 CZ TYR A 51 -1.765-312.368 -14.251 1.00 19.42 C ATOM 401 OH TYR A 51 -1.455-313.030 -15.413 1.00 18.19 O ATOM 0 H TYR A 51 -2.802-309.769 -8.196 1.00 18.28 H new ATOM 0 HA TYR A 51 -3.763-311.726 -9.554 1.00 21.70 H new ATOM 0 HB2 TYR A 51 -3.523-309.770 -10.717 1.00 21.89 H new ATOM 0 HB3 TYR A 51 -2.004-309.669 -10.379 1.00 21.89 H new ATOM 0 HD1 TYR A 51 -4.130-311.991 -12.096 1.00 20.24 H new ATOM 0 HD2 TYR A 51 -0.504-310.291 -12.110 1.00 18.60 H new ATOM 0 HE1 TYR A 51 -3.629-313.103 -14.061 1.00 19.92 H new ATOM 0 HE2 TYR A 51 0.011-311.408 -14.066 1.00 22.04 H new ATOM 0 HH TYR A 51 -0.674-312.830 -15.650 1.00 18.19 H new ATOM 402 N TYR A 52 -0.567-311.993 -9.249 1.00 19.04 N ATOM 403 CA TYR A 52 0.541-312.957 -9.285 1.00 22.27 C ATOM 404 C TYR A 52 0.396-314.051 -8.228 1.00 20.71 C ATOM 405 O TYR A 52 0.785-315.204 -8.451 1.00 18.76 O ATOM 406 CB TYR A 52 1.905-312.258 -9.160 1.00 21.18 C ATOM 407 CG TYR A 52 2.228-311.337 -10.325 1.00 22.24 C ATOM 408 CD1 TYR A 52 2.321-311.829 -11.625 1.00 21.60 C ATOM 409 CD2 TYR A 52 2.444-309.984 -10.124 1.00 23.30 C ATOM 410 CE1 TYR A 52 2.612-310.991 -12.689 1.00 26.61 C ATOM 411 CE2 TYR A 52 2.729-309.140 -11.175 1.00 21.53 C ATOM 412 CZ TYR A 52 2.820-309.641 -12.455 1.00 28.51 C ATOM 413 OH TYR A 52 3.117-308.787 -13.496 1.00 34.12 O ATOM 0 H TYR A 52 -0.337-311.188 -9.051 1.00 19.04 H new ATOM 0 HA TYR A 52 0.500-313.387 -10.154 1.00 22.27 H new ATOM 0 HB2 TYR A 52 1.922-311.744 -8.337 1.00 21.18 H new ATOM 0 HB3 TYR A 52 2.599-312.932 -9.088 1.00 21.18 H new ATOM 0 HD1 TYR A 52 2.185-312.736 -11.781 1.00 21.60 H new ATOM 0 HD2 TYR A 52 2.396-309.638 -9.262 1.00 23.30 H new ATOM 0 HE1 TYR A 52 2.667-311.331 -13.553 1.00 26.61 H new ATOM 0 HE2 TYR A 52 2.860-308.232 -11.020 1.00 21.53 H new ATOM 0 HH TYR A 52 3.214-308.007 -13.200 1.00 34.12 H new ATOM 414 N ALA A 53 -0.181-313.692 -7.086 1.00 18.26 N ATOM 415 CA ALA A 53 -0.443-314.667 -6.030 1.00 20.07 C ATOM 416 C ALA A 53 -1.437-315.726 -6.498 1.00 18.51 C ATOM 417 O ALA A 53 -1.254-316.910 -6.240 1.00 16.47 O ATOM 418 CB ALA A 53 -0.973-313.984 -4.798 1.00 17.22 C ATOM 0 H ALA A 53 -0.429-312.889 -6.902 1.00 18.26 H new ATOM 0 HA ALA A 53 0.397-315.102 -5.815 1.00 20.07 H new ATOM 0 HB1 ALA A 53 -1.141-314.645 -4.108 1.00 17.22 H new ATOM 0 HB2 ALA A 53 -0.320-313.342 -4.478 1.00 17.22 H new ATOM 0 HB3 ALA A 53 -1.800-313.524 -5.013 1.00 17.22 H new ATOM 419 N ARG A 54 -2.494-315.282 -7.172 1.00 20.07 N ATOM 420 CA ARG A 54 -3.551-316.172 -7.656 1.00 17.89 C ATOM 421 C ARG A 54 -3.046-317.086 -8.774 1.00 18.98 C ATOM 422 O ARG A 54 -3.524-318.206 -8.934 1.00 19.54 O ATOM 423 CB ARG A 54 -4.745-315.341 -8.128 1.00 18.96 C ATOM 424 CG ARG A 54 -5.990-316.109 -8.527 1.00 19.96 C ATOM 425 CD ARG A 54 -7.062-315.100 -8.926 1.00 27.06 C ATOM 426 NE ARG A 54 -8.234-315.707 -9.552 1.00 27.39 N ATOM 427 CZ ARG A 54 -9.194-315.010 -10.153 1.00 26.22 C ATOM 428 NH1 ARG A 54 -9.115-313.685 -10.214 1.00 26.72 N ATOM 429 NH2 ARG A 54 -10.227-315.635 -10.699 1.00 30.57 N ATOM 0 H ARG A 54 -2.621-314.453 -7.363 1.00 20.07 H new ATOM 0 HA ARG A 54 -3.831-316.744 -6.924 1.00 17.89 H new ATOM 0 HB2 ARG A 54 -4.984-314.723 -7.419 1.00 18.96 H new ATOM 0 HB3 ARG A 54 -4.462-314.807 -8.887 1.00 18.96 H new ATOM 0 HG2 ARG A 54 -5.797-316.707 -9.265 1.00 19.96 H new ATOM 0 HG3 ARG A 54 -6.300-316.659 -7.790 1.00 19.96 H new ATOM 0 HD2 ARG A 54 -7.343-314.610 -8.138 1.00 27.06 H new ATOM 0 HD3 ARG A 54 -6.676-314.454 -9.538 1.00 27.06 H new ATOM 0 HE ARG A 54 -8.307-316.564 -9.531 1.00 27.39 H new ATOM 0 HH11 ARG A 54 -8.443-313.278 -9.865 1.00 26.72 H new ATOM 0 HH12 ARG A 54 -9.736-313.235 -10.603 1.00 26.72 H new ATOM 0 HH21 ARG A 54 -10.277-316.493 -10.665 1.00 30.57 H new ATOM 0 HH22 ARG A 54 -10.847-315.183 -11.087 1.00 30.57 H new ATOM 430 N LEU A 55 -2.103-316.616 -9.565 1.00 20.01 N ATOM 431 CA LEU A 55 -1.422-317.435 -10.556 1.00 20.69 C ATOM 432 C LEU A 55 -0.789-318.703 -9.991 1.00 23.91 C ATOM 433 O LEU A 55 -0.890-319.745 -10.605 1.00 17.87 O ATOM 434 CB LEU A 55 -0.352-316.666 -11.344 1.00 20.00 C ATOM 435 CG LEU A 55 -0.619-315.629 -12.437 1.00 20.00 C ATOM 436 CD1 LEU A 55 0.562-315.220 -13.154 1.00 20.00 C ATOM 437 CD2 LEU A 55 -1.658-316.008 -13.371 1.00 20.00 C ATOM 0 H LEU A 55 -1.833-315.800 -9.544 1.00 20.01 H new ATOM 0 HA LEU A 55 -2.139-317.694 -11.156 1.00 20.69 H new ATOM 0 HB2 LEU A 55 0.190-316.213 -10.679 1.00 20.00 H new ATOM 0 HB3 LEU A 55 0.209-317.342 -11.755 1.00 20.00 H new ATOM 0 HG LEU A 55 -0.942-314.863 -11.937 1.00 20.00 H new ATOM 0 HD11 LEU A 55 0.321-314.565 -13.828 1.00 20.00 H new ATOM 0 HD12 LEU A 55 1.197-314.827 -12.535 1.00 20.00 H new ATOM 0 HD13 LEU A 55 0.964-315.992 -13.583 1.00 20.00 H new ATOM 0 HD21 LEU A 55 -1.771-315.307 -14.031 1.00 20.00 H new ATOM 0 HD22 LEU A 55 -1.408-316.833 -13.816 1.00 20.00 H new ATOM 0 HD23 LEU A 55 -2.492-316.139 -12.893 1.00 20.00 H new ATOM 438 N SER A 56 -0.165-318.567 -8.829 1.00 18.72 N ATOM 439 CA SER A 56 0.601-319.655 -8.214 1.00 20.11 C ATOM 440 C SER A 56 -0.123-320.333 -7.066 1.00 20.21 C ATOM 441 O SER A 56 0.279-321.410 -6.614 1.00 26.64 O ATOM 442 CB SER A 56 1.955-319.150 -7.715 1.00 21.14 C ATOM 443 OG SER A 56 2.886-319.061 -8.780 1.00 34.24 O ATOM 0 H SER A 56 -0.171-317.840 -8.369 1.00 18.72 H new ATOM 0 HA SER A 56 0.721-320.315 -8.914 1.00 20.11 H new ATOM 0 HB2 SER A 56 1.847-318.279 -7.301 1.00 21.14 H new ATOM 0 HB3 SER A 56 2.296-319.748 -7.032 1.00 21.14 H new ATOM 0 HG SER A 56 2.877-318.283 -9.096 1.00 34.24 H new ATOM 444 N GLY A 57 -1.190-319.715 -6.585 1.00 18.05 N ATOM 445 CA GLY A 57 -1.939-320.305 -5.496 1.00 18.13 C ATOM 446 C GLY A 57 -1.258-319.983 -4.178 1.00 21.00 C ATOM 447 O GLY A 57 -1.218-320.791 -3.251 1.00 19.39 O ATOM 0 H GLY A 57 -1.492-318.963 -6.872 1.00 18.05 H new ATOM 0 HA2 GLY A 57 -2.847-319.964 -5.493 1.00 18.13 H new ATOM 0 HA3 GLY A 57 -1.997-321.266 -5.614 1.00 18.13 H new ATOM 448 N ILE A 58 -0.698-318.786 -4.105 1.00 16.53 N ATOM 449 CA ILE A 58 -0.064-318.327 -2.882 1.00 15.59 C ATOM 450 C ILE A 58 -1.098-317.508 -2.138 1.00 16.21 C ATOM 451 O ILE A 58 -1.737-316.639 -2.728 1.00 15.44 O ATOM 452 CB ILE A 58 1.177-317.479 -3.187 1.00 18.56 C ATOM 453 CG1 ILE A 58 2.239-318.340 -3.889 1.00 15.87 C ATOM 454 CG2 ILE A 58 1.736-316.857 -1.902 1.00 16.61 C ATOM 455 CD1 ILE A 58 3.454-317.572 -4.321 1.00 16.41 C ATOM 0 H ILE A 58 -0.674-318.223 -4.754 1.00 16.53 H new ATOM 0 HA ILE A 58 0.236-319.080 -2.350 1.00 15.59 H new ATOM 0 HB ILE A 58 0.925-316.755 -3.781 1.00 18.56 H new ATOM 0 HG12 ILE A 58 2.513-319.052 -3.290 1.00 15.87 H new ATOM 0 HG13 ILE A 58 1.840-318.761 -4.666 1.00 15.87 H new ATOM 0 HG21 ILE A 58 2.519-316.325 -2.114 1.00 16.61 H new ATOM 0 HG22 ILE A 58 1.061-316.291 -1.496 1.00 16.61 H new ATOM 0 HG23 ILE A 58 1.982-317.561 -1.282 1.00 16.61 H new ATOM 0 HD11 ILE A 58 4.080-318.173 -4.754 1.00 16.41 H new ATOM 0 HD12 ILE A 58 3.192-316.875 -4.943 1.00 16.41 H new ATOM 0 HD13 ILE A 58 3.876-317.171 -3.545 1.00 16.41 H new ATOM 456 N PRO A 59 -1.300-317.809 -0.844 1.00 16.66 N ATOM 457 CA PRO A 59 -2.297-317.052 -0.078 1.00 18.89 C ATOM 458 C PRO A 59 -1.866-315.600 0.172 1.00 15.82 C ATOM 459 O PRO A 59 -0.675-315.311 0.310 1.00 14.26 O ATOM 460 CB PRO A 59 -2.391-317.825 1.238 1.00 19.39 C ATOM 461 CG PRO A 59 -1.110-318.598 1.326 1.00 16.68 C ATOM 462 CD PRO A 59 -0.704-318.910 -0.066 1.00 13.64 C ATOM 0 HA PRO A 59 -3.142-316.981 -0.549 1.00 18.89 H new ATOM 0 HB2 PRO A 59 -2.491-317.223 1.992 1.00 19.39 H new ATOM 0 HB3 PRO A 59 -3.159-318.417 1.244 1.00 19.39 H new ATOM 0 HG2 PRO A 59 -0.425-318.079 1.776 1.00 16.68 H new ATOM 0 HG3 PRO A 59 -1.233-319.412 1.839 1.00 16.68 H new ATOM 0 HD2 PRO A 59 0.261-318.935 -0.161 1.00 13.64 H new ATOM 0 HD3 PRO A 59 -1.039-319.774 -0.352 1.00 13.64 H new ATOM 463 N VAL A 60 -2.840-314.696 0.213 1.00 16.71 N ATOM 464 CA VAL A 60 -2.577-313.287 0.536 1.00 14.92 C ATOM 465 C VAL A 60 -3.329-312.899 1.790 1.00 18.00 C ATOM 466 O VAL A 60 -4.519-313.191 1.926 1.00 18.61 O ATOM 467 CB VAL A 60 -3.006-312.330 -0.594 1.00 13.20 C ATOM 468 CG1 VAL A 60 -2.668-310.873 -0.220 1.00 15.24 C ATOM 469 CG2 VAL A 60 -2.321-312.710 -1.885 1.00 12.79 C ATOM 0 H VAL A 60 -3.666-314.875 0.057 1.00 16.71 H new ATOM 0 HA VAL A 60 -1.619-313.205 0.660 1.00 14.92 H new ATOM 0 HB VAL A 60 -3.966-312.403 -0.716 1.00 13.20 H new ATOM 0 HG11 VAL A 60 -2.943-310.282 -0.939 1.00 15.24 H new ATOM 0 HG12 VAL A 60 -3.136-310.631 0.594 1.00 15.24 H new ATOM 0 HG13 VAL A 60 -1.712-310.788 -0.080 1.00 15.24 H new ATOM 0 HG21 VAL A 60 -2.597-312.103 -2.589 1.00 12.79 H new ATOM 0 HG22 VAL A 60 -1.359-312.655 -1.770 1.00 12.79 H new ATOM 0 HG23 VAL A 60 -2.566-313.617 -2.127 1.00 12.79 H new ATOM 470 N TYR A 61 -2.631-312.229 2.704 1.00 15.85 N ATOM 471 CA TYR A 61 -3.228-311.821 3.963 1.00 18.17 C ATOM 472 C TYR A 61 -3.259-310.306 4.046 1.00 18.40 C ATOM 473 O TYR A 61 -2.236-309.643 3.868 1.00 13.92 O ATOM 474 CB TYR A 61 -2.472-312.411 5.162 1.00 16.66 C ATOM 475 CG TYR A 61 -2.993-311.929 6.500 1.00 22.28 C ATOM 476 CD1 TYR A 61 -2.307-310.962 7.221 1.00 18.52 C ATOM 477 CD2 TYR A 61 -4.190-312.419 7.030 1.00 21.89 C ATOM 478 CE1 TYR A 61 -2.775-310.511 8.438 1.00 20.24 C ATOM 479 CE2 TYR A 61 -4.665-311.972 8.255 1.00 21.64 C ATOM 480 CZ TYR A 61 -3.944-311.017 8.955 1.00 26.76 C ATOM 481 OH TYR A 61 -4.391-310.543 10.169 1.00 27.29 O ATOM 0 H TYR A 61 -1.807-312.002 2.610 1.00 15.85 H new ATOM 0 HA TYR A 61 -4.135-312.163 3.995 1.00 18.17 H new ATOM 0 HB2 TYR A 61 -2.532-313.379 5.129 1.00 16.66 H new ATOM 0 HB3 TYR A 61 -1.532-312.182 5.087 1.00 16.66 H new ATOM 0 HD1 TYR A 61 -1.517-310.611 6.877 1.00 18.52 H new ATOM 0 HD2 TYR A 61 -4.675-313.054 6.555 1.00 21.89 H new ATOM 0 HE1 TYR A 61 -2.300-309.865 8.909 1.00 20.24 H new ATOM 0 HE2 TYR A 61 -5.459-312.310 8.603 1.00 21.64 H new ATOM 0 HH TYR A 61 -5.109-310.928 10.373 1.00 27.29 H new ATOM 482 N ALA A 62 -4.455-309.785 4.288 1.00 14.60 N ATOM 483 CA ALA A 62 -4.691-308.361 4.376 1.00 18.64 C ATOM 484 C ALA A 62 -4.527-307.932 5.820 1.00 18.08 C ATOM 485 O ALA A 62 -5.414-308.121 6.647 1.00 23.05 O ATOM 486 CB ALA A 62 -6.084-308.028 3.866 1.00 21.31 C ATOM 0 H ALA A 62 -5.161-310.261 4.407 1.00 14.60 H new ATOM 0 HA ALA A 62 -4.052-307.883 3.824 1.00 18.64 H new ATOM 0 HB1 ALA A 62 -6.232-307.071 3.929 1.00 21.31 H new ATOM 0 HB2 ALA A 62 -6.165-308.307 2.940 1.00 21.31 H new ATOM 0 HB3 ALA A 62 -6.745-308.493 4.402 1.00 21.31 H new ATOM 487 N PHE A 63 -3.363-307.378 6.117 1.00 19.38 N ATOM 488 CA PHE A 63 -3.079-306.829 7.431 1.00 19.80 C ATOM 489 C PHE A 63 -4.017-305.648 7.693 1.00 20.43 C ATOM 490 O PHE A 63 -4.048-304.678 6.931 1.00 21.25 O ATOM 491 CB PHE A 63 -1.603-306.402 7.486 1.00 17.90 C ATOM 492 CG PHE A 63 -1.229-305.644 8.716 1.00 17.75 C ATOM 493 CD1 PHE A 63 -1.300-306.236 9.962 1.00 18.55 C ATOM 494 CD2 PHE A 63 -0.781-304.335 8.626 1.00 19.42 C ATOM 495 CE1 PHE A 63 -0.944-305.541 11.098 1.00 21.85 C ATOM 496 CE2 PHE A 63 -0.428-303.635 9.765 1.00 21.21 C ATOM 497 CZ PHE A 63 -0.506-304.243 11.004 1.00 20.07 C ATOM 0 H PHE A 63 -2.712-307.309 5.559 1.00 19.38 H new ATOM 0 HA PHE A 63 -3.229-307.493 8.122 1.00 19.80 H new ATOM 0 HB2 PHE A 63 -1.046-307.193 7.424 1.00 17.90 H new ATOM 0 HB3 PHE A 63 -1.406-305.855 6.709 1.00 17.90 H new ATOM 0 HD1 PHE A 63 -1.592-307.116 10.036 1.00 18.55 H new ATOM 0 HD2 PHE A 63 -0.717-303.925 7.794 1.00 19.42 H new ATOM 0 HE1 PHE A 63 -1.001-305.952 11.930 1.00 21.85 H new ATOM 0 HE2 PHE A 63 -0.138-302.754 9.697 1.00 21.21 H new ATOM 0 HZ PHE A 63 -0.263-303.775 11.770 1.00 20.07 H new ATOM 498 N GLU A 64 -4.802-305.742 8.758 1.00 24.73 N ATOM 499 CA GLU A 64 -5.723-304.670 9.115 1.00 26.93 C ATOM 500 C GLU A 64 -4.963-303.564 9.846 1.00 26.60 C ATOM 501 O GLU A 64 -4.986-303.487 11.079 1.00 32.51 O ATOM 502 CB GLU A 64 -6.860-305.208 9.983 1.00 25.56 C ATOM 0 H GLU A 64 -4.817-306.419 9.288 1.00 24.73 H new ATOM 0 HA GLU A 64 -6.112-304.303 8.306 1.00 26.93 H new ATOM 503 N GLY A 65 -4.293-302.713 9.074 1.00 23.02 N ATOM 504 CA GLY A 65 -3.384-301.708 9.618 1.00 24.99 C ATOM 505 C GLY A 65 -2.565-301.054 8.514 1.00 20.10 C ATOM 506 O GLY A 65 -2.451-301.592 7.408 1.00 14.77 O ATOM 0 H GLY A 65 -4.353-302.702 8.216 1.00 23.02 H new ATOM 0 HA2 GLY A 65 -3.892-301.031 10.092 1.00 24.99 H new ATOM 0 HA3 GLY A 65 -2.790-302.121 10.264 1.00 24.99 H new ATOM 507 N THR A 66 -1.995-299.890 8.804 1.00 15.62 N ATOM 508 CA THR A 66 -1.314-299.108 7.773 1.00 16.42 C ATOM 509 C THR A 66 0.113-299.599 7.559 1.00 16.10 C ATOM 510 O THR A 66 0.653-300.334 8.387 1.00 17.17 O ATOM 511 CB THR A 66 -1.259-297.604 8.150 1.00 16.57 C ATOM 512 OG1 THR A 66 -0.381-297.436 9.265 1.00 14.48 O ATOM 513 CG2 THR A 66 -2.649-297.083 8.528 1.00 17.86 C ATOM 0 H THR A 66 -1.990-299.535 9.587 1.00 15.62 H new ATOM 0 HA THR A 66 -1.825-299.222 6.957 1.00 16.42 H new ATOM 0 HB THR A 66 -0.938-297.104 7.384 1.00 16.57 H new ATOM 0 HG1 THR A 66 -0.581-296.731 9.675 1.00 14.48 H new ATOM 0 HG21 THR A 66 -2.590-296.143 8.759 1.00 17.86 H new ATOM 0 HG22 THR A 66 -3.252-297.194 7.776 1.00 17.86 H new ATOM 0 HG23 THR A 66 -2.986-297.582 9.288 1.00 17.86 H new ATOM 514 N SER A 67 0.720-299.174 6.456 1.00 11.22 N ATOM 515 CA SER A 67 2.115-299.481 6.158 1.00 15.24 C ATOM 516 C SER A 67 3.074-298.929 7.207 1.00 15.88 C ATOM 517 O SER A 67 4.202-299.393 7.326 1.00 16.26 O ATOM 518 CB SER A 67 2.492-298.894 4.809 1.00 18.98 C ATOM 519 OG SER A 67 2.216-297.506 4.798 1.00 17.93 O ATOM 0 H SER A 67 0.332-298.696 5.855 1.00 11.22 H new ATOM 0 HA SER A 67 2.194-300.448 6.154 1.00 15.24 H new ATOM 0 HB2 SER A 67 3.433-299.047 4.632 1.00 18.98 H new ATOM 0 HB3 SER A 67 1.995-299.337 4.104 1.00 18.98 H new ATOM 0 HG SER A 67 2.427-297.184 4.051 1.00 17.93 H new ATOM 520 N VAL A 68 2.637-297.915 7.939 1.00 13.83 N ATOM 521 CA VAL A 68 3.415-297.412 9.058 1.00 15.37 C ATOM 522 C VAL A 68 3.467-298.429 10.197 1.00 11.37 C ATOM 523 O VAL A 68 4.536-298.748 10.696 1.00 14.64 O ATOM 524 CB VAL A 68 2.845-296.096 9.586 1.00 12.33 C ATOM 525 CG1 VAL A 68 3.577-295.687 10.873 1.00 14.18 C ATOM 526 CG2 VAL A 68 2.955-295.012 8.508 1.00 17.77 C ATOM 0 H VAL A 68 1.893-297.505 7.804 1.00 13.83 H new ATOM 0 HA VAL A 68 4.314-297.257 8.728 1.00 15.37 H new ATOM 0 HB VAL A 68 1.906-296.211 9.801 1.00 12.33 H new ATOM 0 HG11 VAL A 68 3.210-294.852 11.202 1.00 14.18 H new ATOM 0 HG12 VAL A 68 3.461-296.377 11.545 1.00 14.18 H new ATOM 0 HG13 VAL A 68 4.522-295.573 10.686 1.00 14.18 H new ATOM 0 HG21 VAL A 68 2.592-294.179 8.848 1.00 17.77 H new ATOM 0 HG22 VAL A 68 3.887-294.885 8.270 1.00 17.77 H new ATOM 0 HG23 VAL A 68 2.456-295.285 7.722 1.00 17.77 H new ATOM 527 N GLU A 69 2.301-298.932 10.599 1.00 14.88 N ATOM 528 CA GLU A 69 2.204-299.963 11.635 1.00 17.27 C ATOM 529 C GLU A 69 2.932-301.253 11.235 1.00 17.84 C ATOM 530 O GLU A 69 3.612-301.887 12.059 1.00 15.77 O ATOM 531 CB GLU A 69 0.741-300.289 11.966 1.00 18.75 C ATOM 532 CG GLU A 69 -0.178-299.083 12.208 1.00 20.37 C ATOM 533 CD GLU A 69 -1.629-299.493 12.469 1.00 24.58 C ATOM 534 OE1 GLU A 69 -1.860-300.413 13.288 1.00 35.86 O ATOM 535 OE2 GLU A 69 -2.541-298.912 11.847 1.00 31.84 O ATOM 0 H GLU A 69 1.542-298.685 10.279 1.00 14.88 H new ATOM 0 HA GLU A 69 2.636-299.597 12.423 1.00 17.27 H new ATOM 0 HB2 GLU A 69 0.372-300.813 11.238 1.00 18.75 H new ATOM 0 HB3 GLU A 69 0.724-300.850 12.757 1.00 18.75 H new ATOM 0 HG2 GLU A 69 0.153-298.575 12.966 1.00 20.37 H new ATOM 0 HG3 GLU A 69 -0.145-298.495 11.437 1.00 20.37 H new ATOM 536 N LEU A 70 2.778-301.647 9.976 1.00 13.74 N ATOM 537 CA LEU A 70 3.413-302.872 9.495 1.00 15.04 C ATOM 538 C LEU A 70 4.942-302.747 9.545 1.00 18.96 C ATOM 539 O LEU A 70 5.637-303.656 10.006 1.00 17.09 O ATOM 540 CB LEU A 70 2.938-303.209 8.078 1.00 11.37 C ATOM 541 CG LEU A 70 3.364-304.594 7.582 1.00 15.83 C ATOM 542 CD1 LEU A 70 3.090-305.646 8.651 1.00 9.06 C ATOM 543 CD2 LEU A 70 2.707-304.955 6.239 1.00 13.62 C ATOM 0 H LEU A 70 2.314-301.225 9.387 1.00 13.74 H new ATOM 0 HA LEU A 70 3.151-303.600 10.081 1.00 15.04 H new ATOM 0 HB2 LEU A 70 1.970-303.151 8.050 1.00 11.37 H new ATOM 0 HB3 LEU A 70 3.280-302.539 7.466 1.00 11.37 H new ATOM 0 HG LEU A 70 4.320-304.572 7.418 1.00 15.83 H new ATOM 0 HD11 LEU A 70 3.364-306.518 8.325 1.00 9.06 H new ATOM 0 HD12 LEU A 70 3.590-305.430 9.454 1.00 9.06 H new ATOM 0 HD13 LEU A 70 2.142-305.661 8.855 1.00 9.06 H new ATOM 0 HD21 LEU A 70 3.002-305.836 5.961 1.00 13.62 H new ATOM 0 HD22 LEU A 70 1.742-304.954 6.340 1.00 13.62 H new ATOM 0 HD23 LEU A 70 2.962-304.303 5.568 1.00 13.62 H new ATOM 544 N GLY A 71 5.461-301.612 9.077 1.00 16.15 N ATOM 545 CA GLY A 71 6.891-301.348 9.126 1.00 16.44 C ATOM 546 C GLY A 71 7.422-301.393 10.545 1.00 20.11 C ATOM 547 O GLY A 71 8.482-301.965 10.812 1.00 22.89 O ATOM 0 H GLY A 71 4.995-300.980 8.726 1.00 16.15 H new ATOM 0 HA2 GLY A 71 7.360-302.002 8.584 1.00 16.44 H new ATOM 0 HA3 GLY A 71 7.073-300.477 8.740 1.00 16.44 H new ATOM 548 N THR A 72 6.676-300.811 11.473 1.00 22.03 N ATOM 549 CA THR A 72 7.087-300.825 12.871 1.00 22.30 C ATOM 550 C THR A 72 7.124-302.253 13.393 1.00 26.37 C ATOM 551 O THR A 72 8.043-302.623 14.118 1.00 21.55 O ATOM 552 CB THR A 72 6.166-299.965 13.764 1.00 20.31 C ATOM 553 OG1 THR A 72 6.215-298.600 13.329 1.00 25.56 O ATOM 554 CG2 THR A 72 6.622-300.028 15.210 1.00 21.90 C ATOM 0 H THR A 72 5.934-300.405 11.318 1.00 22.03 H new ATOM 0 HA THR A 72 7.975-300.438 12.910 1.00 22.30 H new ATOM 0 HB THR A 72 5.262-300.309 13.695 1.00 20.31 H new ATOM 0 HG1 THR A 72 5.799-298.522 12.604 1.00 25.56 H new ATOM 0 HG21 THR A 72 6.035-299.484 15.759 1.00 21.90 H new ATOM 0 HG22 THR A 72 6.593-300.947 15.519 1.00 21.90 H new ATOM 0 HG23 THR A 72 7.530-299.693 15.278 1.00 21.90 H new ATOM 555 N LEU A 73 6.130-303.055 13.008 1.00 25.22 N ATOM 556 CA LEU A 73 6.035-304.458 13.441 1.00 21.83 C ATOM 557 C LEU A 73 7.271-305.257 13.033 1.00 23.83 C ATOM 558 O LEU A 73 7.705-306.166 13.752 1.00 25.90 O ATOM 559 CB LEU A 73 4.784-305.113 12.849 1.00 20.54 C ATOM 560 CG LEU A 73 3.611-305.404 13.779 1.00 21.13 C ATOM 561 CD1 LEU A 73 3.643-304.520 15.000 1.00 22.84 C ATOM 562 CD2 LEU A 73 2.295-305.278 13.040 1.00 19.79 C ATOM 0 H LEU A 73 5.491-302.805 12.489 1.00 25.22 H new ATOM 0 HA LEU A 73 5.977-304.461 14.409 1.00 21.83 H new ATOM 0 HB2 LEU A 73 4.461-304.542 12.135 1.00 20.54 H new ATOM 0 HB3 LEU A 73 5.054-305.951 12.442 1.00 20.54 H new ATOM 0 HG LEU A 73 3.695-306.320 14.086 1.00 21.13 H new ATOM 0 HD11 LEU A 73 2.887-304.728 15.570 1.00 22.84 H new ATOM 0 HD12 LEU A 73 4.467-304.672 15.488 1.00 22.84 H new ATOM 0 HD13 LEU A 73 3.596-303.590 14.728 1.00 22.84 H new ATOM 0 HD21 LEU A 73 1.563-305.467 13.648 1.00 19.79 H new ATOM 0 HD22 LEU A 73 2.203-304.377 12.694 1.00 19.79 H new ATOM 0 HD23 LEU A 73 2.275-305.910 12.304 1.00 19.79 H new ATOM 563 N LEU A 74 7.823-304.907 11.875 1.00 22.77 N ATOM 564 CA LEU A 74 9.008-305.550 11.321 1.00 24.58 C ATOM 565 C LEU A 74 10.289-304.868 11.793 1.00 24.91 C ATOM 566 O LEU A 74 11.385-305.200 11.340 1.00 23.97 O ATOM 567 CB LEU A 74 8.931-305.519 9.797 1.00 24.24 C ATOM 568 CG LEU A 74 7.782-306.343 9.197 1.00 20.20 C ATOM 569 CD1 LEU A 74 7.406-305.810 7.816 1.00 16.75 C ATOM 570 CD2 LEU A 74 8.158-307.818 9.142 1.00 17.26 C ATOM 0 H LEU A 74 7.512-304.276 11.380 1.00 22.77 H new ATOM 0 HA LEU A 74 9.032-306.468 11.633 1.00 24.58 H new ATOM 0 HB2 LEU A 74 8.837-304.598 9.508 1.00 24.24 H new ATOM 0 HB3 LEU A 74 9.770-305.845 9.436 1.00 24.24 H new ATOM 0 HG LEU A 74 7.003-306.257 9.769 1.00 20.20 H new ATOM 0 HD11 LEU A 74 6.680-306.340 7.451 1.00 16.75 H new ATOM 0 HD12 LEU A 74 7.124-304.885 7.892 1.00 16.75 H new ATOM 0 HD13 LEU A 74 8.175-305.866 7.227 1.00 16.75 H new ATOM 0 HD21 LEU A 74 7.424-308.325 8.761 1.00 17.26 H new ATOM 0 HD22 LEU A 74 8.948-307.930 8.591 1.00 17.26 H new ATOM 0 HD23 LEU A 74 8.342-308.139 10.039 1.00 17.26 H new ATOM 571 N GLY A 75 10.133-303.903 12.696 1.00 27.63 N ATOM 572 CA GLY A 75 11.249-303.226 13.334 1.00 25.96 C ATOM 573 C GLY A 75 11.861-302.089 12.535 1.00 28.25 C ATOM 574 O GLY A 75 12.950-301.621 12.865 1.00 27.31 O ATOM 0 H GLY A 75 9.363-303.622 12.956 1.00 27.63 H new ATOM 0 HA2 GLY A 75 10.951-302.877 14.189 1.00 25.96 H new ATOM 0 HA3 GLY A 75 11.941-303.880 13.520 1.00 25.96 H new ATOM 575 N ARG A 76 11.168-301.636 11.493 1.00 25.86 N ATOM 576 CA ARG A 76 11.727-300.631 10.594 1.00 25.53 C ATOM 577 C ARG A 76 11.215-299.222 10.923 1.00 29.52 C ATOM 578 O ARG A 76 10.090-299.058 11.401 1.00 28.58 O ATOM 579 CB ARG A 76 11.450-300.988 9.124 1.00 27.27 C ATOM 580 CG ARG A 76 12.087-302.297 8.656 1.00 30.00 C ATOM 581 CD ARG A 76 13.614-302.282 8.808 1.00 34.69 C ATOM 582 NE ARG A 76 14.255-303.557 8.459 1.00 31.02 N ATOM 583 CZ ARG A 76 14.381-304.023 7.216 1.00 37.25 C ATOM 584 NH1 ARG A 76 14.989-305.188 7.001 1.00 29.88 N ATOM 585 NH2 ARG A 76 13.891-303.331 6.187 1.00 32.25 N ATOM 0 H ARG A 76 10.374-301.897 11.290 1.00 25.86 H new ATOM 0 HA ARG A 76 12.688-300.628 10.729 1.00 25.53 H new ATOM 0 HB2 ARG A 76 10.491-301.044 8.992 1.00 27.27 H new ATOM 0 HB3 ARG A 76 11.772-300.266 8.562 1.00 27.27 H new ATOM 0 HG2 ARG A 76 11.719-303.035 9.167 1.00 30.00 H new ATOM 0 HG3 ARG A 76 11.857-302.453 7.727 1.00 30.00 H new ATOM 0 HD2 ARG A 76 13.980-301.581 8.246 1.00 34.69 H new ATOM 0 HD3 ARG A 76 13.838-302.057 9.725 1.00 34.69 H new ATOM 0 HE ARG A 76 14.571-304.036 9.100 1.00 31.02 H new ATOM 0 HH11 ARG A 76 15.300-305.639 7.664 1.00 29.88 H new ATOM 0 HH12 ARG A 76 15.071-305.489 6.200 1.00 29.88 H new ATOM 0 HH21 ARG A 76 13.492-302.581 6.324 1.00 32.25 H new ATOM 0 HH22 ARG A 76 13.974-303.634 5.386 1.00 32.25 H new ATOM 586 N PRO A 77 12.055-298.202 10.682 1.00 29.34 N ATOM 587 CA PRO A 77 11.700-296.804 10.934 1.00 33.16 C ATOM 588 C PRO A 77 10.966-296.194 9.738 1.00 35.58 C ATOM 589 O PRO A 77 10.676-294.992 9.723 1.00 32.60 O ATOM 590 CB PRO A 77 13.063-296.143 11.130 1.00 32.96 C ATOM 591 CG PRO A 77 13.958-296.905 10.228 1.00 33.42 C ATOM 592 CD PRO A 77 13.456-298.337 10.240 1.00 33.30 C ATOM 0 HA PRO A 77 11.101-296.691 11.689 1.00 33.16 H new ATOM 0 HB2 PRO A 77 13.039-295.202 10.896 1.00 32.96 H new ATOM 0 HB3 PRO A 77 13.356-296.199 12.053 1.00 32.96 H new ATOM 0 HG2 PRO A 77 13.938-296.539 9.330 1.00 33.42 H new ATOM 0 HG3 PRO A 77 14.878-296.858 10.533 1.00 33.42 H new ATOM 0 HD2 PRO A 77 13.517-298.745 9.362 1.00 33.30 H new ATOM 0 HD3 PRO A 77 13.971-298.892 10.847 1.00 33.30 H new ATOM 593 N HIS A 78 10.657-297.030 8.749 1.00 29.64 N ATOM 594 CA HIS A 78 9.946-296.583 7.558 1.00 25.42 C ATOM 595 C HIS A 78 8.770-297.518 7.208 1.00 24.92 C ATOM 596 O HIS A 78 8.619-298.589 7.785 1.00 20.66 O ATOM 597 CB HIS A 78 10.926-296.473 6.385 1.00 30.29 C ATOM 598 CG HIS A 78 12.176-295.705 6.709 1.00 41.30 C ATOM 599 ND1 HIS A 78 13.434-296.269 6.658 1.00 44.08 N ATOM 600 CD2 HIS A 78 12.355-294.418 7.094 1.00 41.89 C ATOM 601 CE1 HIS A 78 14.335-295.363 6.995 1.00 40.52 C ATOM 602 NE2 HIS A 78 13.709-294.232 7.266 1.00 40.97 N ATOM 0 H HIS A 78 10.853-297.867 8.751 1.00 29.64 H new ATOM 0 HA HIS A 78 9.567-295.709 7.740 1.00 25.42 H new ATOM 0 HB2 HIS A 78 11.171-297.365 6.094 1.00 30.29 H new ATOM 0 HB3 HIS A 78 10.478-296.045 5.639 1.00 30.29 H new ATOM 0 HD2 HIS A 78 11.689-293.781 7.219 1.00 41.89 H new ATOM 0 HE1 HIS A 78 15.254-295.499 7.035 1.00 40.52 H new ATOM 0 HE2 HIS A 78 14.086-293.498 7.510 1.00 40.97 H new ATOM 603 N THR A 79 7.941-297.095 6.262 1.00 17.62 N ATOM 604 CA THR A 79 6.750-297.839 5.878 1.00 18.02 C ATOM 605 C THR A 79 7.106-299.150 5.190 1.00 18.90 C ATOM 606 O THR A 79 8.149-299.275 4.547 1.00 14.67 O ATOM 607 CB THR A 79 5.887-297.030 4.908 1.00 17.64 C ATOM 608 OG1 THR A 79 6.685-296.679 3.776 1.00 21.49 O ATOM 609 CG2 THR A 79 5.394-295.745 5.562 1.00 21.42 C ATOM 0 H THR A 79 8.054-296.364 5.823 1.00 17.62 H new ATOM 0 HA THR A 79 6.264-298.017 6.698 1.00 18.02 H new ATOM 0 HB THR A 79 5.122-297.566 4.648 1.00 17.64 H new ATOM 0 HG1 THR A 79 6.720-297.329 3.245 1.00 21.49 H new ATOM 0 HG21 THR A 79 4.850-295.248 4.931 1.00 21.42 H new ATOM 0 HG22 THR A 79 4.863-295.963 6.344 1.00 21.42 H new ATOM 0 HG23 THR A 79 6.154-295.205 5.828 1.00 21.42 H new ATOM 610 N VAL A 80 6.226-300.130 5.361 1.00 18.65 N ATOM 611 CA VAL A 80 6.259-301.371 4.609 1.00 11.85 C ATOM 612 C VAL A 80 4.822-301.627 4.136 1.00 12.06 C ATOM 613 O VAL A 80 3.914-301.831 4.941 1.00 15.04 O ATOM 614 CB VAL A 80 6.821-302.542 5.465 1.00 16.42 C ATOM 615 CG1 VAL A 80 6.557-303.896 4.795 1.00 12.74 C ATOM 616 CG2 VAL A 80 8.317-302.351 5.705 1.00 13.60 C ATOM 0 H VAL A 80 5.582-300.089 5.929 1.00 18.65 H new ATOM 0 HA VAL A 80 6.857-301.306 3.848 1.00 11.85 H new ATOM 0 HB VAL A 80 6.362-302.537 6.319 1.00 16.42 H new ATOM 0 HG11 VAL A 80 6.917-304.607 5.348 1.00 12.74 H new ATOM 0 HG12 VAL A 80 5.601-304.023 4.687 1.00 12.74 H new ATOM 0 HG13 VAL A 80 6.986-303.916 3.925 1.00 12.74 H new ATOM 0 HG21 VAL A 80 8.656-303.086 6.239 1.00 13.60 H new ATOM 0 HG22 VAL A 80 8.781-302.330 4.854 1.00 13.60 H new ATOM 0 HG23 VAL A 80 8.465-301.515 6.175 1.00 13.60 H new ATOM 617 N SER A 81 4.610-301.559 2.829 1.00 16.62 N ATOM 618 CA SER A 81 3.272-301.721 2.271 1.00 16.95 C ATOM 619 C SER A 81 2.934-303.185 1.970 1.00 13.21 C ATOM 620 O SER A 81 1.766-303.538 1.828 1.00 15.95 O ATOM 621 CB SER A 81 3.111-300.870 1.007 1.00 12.80 C ATOM 622 OG SER A 81 4.008-301.303 0.001 1.00 22.09 O ATOM 0 H SER A 81 5.227-301.420 2.246 1.00 16.62 H new ATOM 0 HA SER A 81 2.646-301.415 2.946 1.00 16.95 H new ATOM 0 HB2 SER A 81 2.199-300.931 0.683 1.00 12.80 H new ATOM 0 HB3 SER A 81 3.276-299.937 1.215 1.00 12.80 H new ATOM 0 HG SER A 81 4.538-300.680 -0.189 1.00 22.09 H new ATOM 623 N ALA A 82 3.967-304.015 1.858 1.00 13.23 N ATOM 624 CA ALA A 82 3.814-305.453 1.616 1.00 13.91 C ATOM 625 C ALA A 82 5.094-306.219 1.954 1.00 14.22 C ATOM 626 O ALA A 82 6.190-305.661 1.983 1.00 12.37 O ATOM 627 CB ALA A 82 3.409-305.718 0.181 1.00 12.61 C ATOM 0 H ALA A 82 4.786-303.760 1.921 1.00 13.23 H new ATOM 0 HA ALA A 82 3.110-305.772 2.203 1.00 13.91 H new ATOM 0 HB1 ALA A 82 3.313-306.673 0.043 1.00 12.61 H new ATOM 0 HB2 ALA A 82 2.564-305.279 -0.003 1.00 12.61 H new ATOM 0 HB3 ALA A 82 4.090-305.372 -0.417 1.00 12.61 H new ATOM 628 N LEU A 83 4.945-307.513 2.203 1.00 17.89 N ATOM 629 CA LEU A 83 6.083-308.380 2.486 1.00 16.08 C ATOM 630 C LEU A 83 5.715-309.804 2.090 1.00 15.49 C ATOM 631 O LEU A 83 4.534-310.133 1.965 1.00 14.20 O ATOM 632 CB LEU A 83 6.446-308.329 3.970 1.00 16.48 C ATOM 633 CG LEU A 83 5.483-309.001 4.948 1.00 18.78 C ATOM 634 CD1 LEU A 83 5.838-310.485 5.176 1.00 20.43 C ATOM 635 CD2 LEU A 83 5.465-308.280 6.270 1.00 16.24 C ATOM 0 H LEU A 83 4.184-307.914 2.213 1.00 17.89 H new ATOM 0 HA LEU A 83 6.853-308.079 1.979 1.00 16.08 H new ATOM 0 HB2 LEU A 83 7.319-308.737 4.080 1.00 16.48 H new ATOM 0 HB3 LEU A 83 6.533-307.398 4.226 1.00 16.48 H new ATOM 0 HG LEU A 83 4.601-308.956 4.547 1.00 18.78 H new ATOM 0 HD11 LEU A 83 5.207-310.877 5.800 1.00 20.43 H new ATOM 0 HD12 LEU A 83 5.795-310.961 4.332 1.00 20.43 H new ATOM 0 HD13 LEU A 83 6.735-310.551 5.539 1.00 20.43 H new ATOM 0 HD21 LEU A 83 4.848-308.724 6.873 1.00 16.24 H new ATOM 0 HD22 LEU A 83 6.355-308.288 6.655 1.00 16.24 H new ATOM 0 HD23 LEU A 83 5.180-307.363 6.135 1.00 16.24 H new ATOM 636 N ALA A 84 6.720-310.646 1.908 1.00 10.76 N ATOM 637 CA ALA A 84 6.465-312.033 1.546 1.00 15.56 C ATOM 638 C ALA A 84 7.222-312.978 2.466 1.00 17.81 C ATOM 639 O ALA A 84 8.423-312.811 2.674 1.00 17.03 O ATOM 640 CB ALA A 84 6.852-312.280 0.076 1.00 12.61 C ATOM 0 H ALA A 84 7.551-310.439 1.988 1.00 10.76 H new ATOM 0 HA ALA A 84 5.517-312.208 1.650 1.00 15.56 H new ATOM 0 HB1 ALA A 84 6.678-313.206 -0.153 1.00 12.61 H new ATOM 0 HB2 ALA A 84 6.327-311.701 -0.499 1.00 12.61 H new ATOM 0 HB3 ALA A 84 7.795-312.089 -0.047 1.00 12.61 H new ATOM 641 N VAL A 85 6.513-313.964 3.009 1.00 14.88 N ATOM 642 CA VAL A 85 7.115-315.004 3.837 1.00 18.73 C ATOM 643 C VAL A 85 7.647-316.109 2.930 1.00 17.21 C ATOM 644 O VAL A 85 6.878-316.880 2.374 1.00 15.73 O ATOM 645 CB VAL A 85 6.086-315.609 4.838 1.00 18.32 C ATOM 646 CG1 VAL A 85 6.744-316.652 5.744 1.00 14.43 C ATOM 647 CG2 VAL A 85 5.425-314.513 5.674 1.00 17.84 C ATOM 0 H VAL A 85 5.663-314.048 2.906 1.00 14.88 H new ATOM 0 HA VAL A 85 7.834-314.607 4.353 1.00 18.73 H new ATOM 0 HB VAL A 85 5.397-316.052 4.319 1.00 18.32 H new ATOM 0 HG11 VAL A 85 6.083-317.012 6.356 1.00 14.43 H new ATOM 0 HG12 VAL A 85 7.107-317.370 5.201 1.00 14.43 H new ATOM 0 HG13 VAL A 85 7.460-316.236 6.250 1.00 14.43 H new ATOM 0 HG21 VAL A 85 4.790-314.913 6.288 1.00 17.84 H new ATOM 0 HG22 VAL A 85 6.103-314.035 6.177 1.00 17.84 H new ATOM 0 HG23 VAL A 85 4.962-313.894 5.088 1.00 17.84 H new ATOM 648 N VAL A 86 8.964-316.159 2.766 1.00 20.23 N ATOM 649 CA VAL A 86 9.613-317.185 1.948 1.00 20.13 C ATOM 650 C VAL A 86 9.748-318.487 2.751 1.00 23.89 C ATOM 651 O VAL A 86 9.482-319.582 2.252 1.00 20.14 O ATOM 652 CB VAL A 86 11.017-316.707 1.461 1.00 22.78 C ATOM 653 CG1 VAL A 86 11.671-317.750 0.566 1.00 24.90 C ATOM 654 CG2 VAL A 86 10.896-315.388 0.708 1.00 24.09 C ATOM 0 H VAL A 86 9.510-315.600 3.125 1.00 20.23 H new ATOM 0 HA VAL A 86 9.061-317.347 1.167 1.00 20.13 H new ATOM 0 HB VAL A 86 11.575-316.579 2.244 1.00 22.78 H new ATOM 0 HG11 VAL A 86 12.540-317.430 0.277 1.00 24.90 H new ATOM 0 HG12 VAL A 86 11.779-318.578 1.060 1.00 24.90 H new ATOM 0 HG13 VAL A 86 11.111-317.908 -0.210 1.00 24.90 H new ATOM 0 HG21 VAL A 86 11.774-315.103 0.411 1.00 24.09 H new ATOM 0 HG22 VAL A 86 10.318-315.507 -0.062 1.00 24.09 H new ATOM 0 HG23 VAL A 86 10.519-314.714 1.294 1.00 24.09 H new ATOM 655 N ASP A 87 10.146-318.336 4.010 1.00 21.21 N ATOM 656 CA ASP A 87 10.360-319.438 4.925 1.00 18.58 C ATOM 657 C ASP A 87 9.869-318.984 6.296 1.00 20.11 C ATOM 658 O ASP A 87 10.388-318.019 6.853 1.00 18.72 O ATOM 659 CB ASP A 87 11.851-319.784 4.944 1.00 18.51 C ATOM 660 CG ASP A 87 12.247-320.683 6.104 1.00 21.06 C ATOM 661 OD1 ASP A 87 11.375-321.325 6.729 1.00 23.55 O ATOM 662 OD2 ASP A 87 13.466-320.750 6.388 1.00 31.20 O ATOM 0 H ASP A 87 10.302-317.566 4.360 1.00 21.21 H new ATOM 0 HA ASP A 87 9.877-320.235 4.657 1.00 18.58 H new ATOM 0 HB2 ASP A 87 12.086-320.221 4.110 1.00 18.51 H new ATOM 0 HB3 ASP A 87 12.366-318.963 4.989 1.00 18.51 H new ATOM 663 N PRO A 88 8.859-319.682 6.845 1.00 21.11 N ATOM 664 CA PRO A 88 8.220-319.328 8.116 1.00 22.52 C ATOM 665 C PRO A 88 9.111-319.578 9.350 1.00 24.77 C ATOM 666 O PRO A 88 8.746-319.194 10.474 1.00 19.56 O ATOM 667 CB PRO A 88 6.999-320.251 8.149 1.00 24.34 C ATOM 668 CG PRO A 88 7.444-321.458 7.407 1.00 20.96 C ATOM 669 CD PRO A 88 8.337-320.953 6.307 1.00 22.98 C ATOM 0 HA PRO A 88 8.017-318.381 8.159 1.00 22.52 H new ATOM 0 HB2 PRO A 88 6.742-320.468 9.059 1.00 24.34 H new ATOM 0 HB3 PRO A 88 6.229-319.838 7.727 1.00 24.34 H new ATOM 0 HG2 PRO A 88 7.921-322.069 7.990 1.00 20.96 H new ATOM 0 HG3 PRO A 88 6.686-321.944 7.045 1.00 20.96 H new ATOM 0 HD2 PRO A 88 9.052-321.579 6.111 1.00 22.98 H new ATOM 0 HD3 PRO A 88 7.846-320.817 5.482 1.00 22.98 H new ATOM 670 N GLY A 89 10.274-320.191 9.144 1.00 23.90 N ATOM 671 CA GLY A 89 11.119-320.587 10.261 1.00 22.12 C ATOM 672 C GLY A 89 10.335-321.451 11.225 1.00 21.87 C ATOM 673 O GLY A 89 9.719-322.431 10.806 1.00 20.42 O ATOM 0 H GLY A 89 10.589-320.385 8.368 1.00 23.90 H new ATOM 0 HA2 GLY A 89 11.892-321.074 9.934 1.00 22.12 H new ATOM 0 HA3 GLY A 89 11.452-319.799 10.719 1.00 22.12 H new ATOM 674 N GLU A 90 10.334-321.076 12.507 1.00 19.08 N ATOM 675 CA GLU A 90 9.637-321.835 13.549 1.00 21.91 C ATOM 676 C GLU A 90 8.248-321.264 13.822 1.00 21.81 C ATOM 677 O GLU A 90 7.533-321.740 14.703 1.00 22.04 O ATOM 678 CB GLU A 90 10.453-321.859 14.857 1.00 23.20 C ATOM 679 CG GLU A 90 11.844-322.493 14.725 1.00 28.71 C ATOM 680 CD GLU A 90 12.837-321.971 15.765 1.00 30.17 C ATOM 681 OE1 GLU A 90 12.422-321.211 16.666 1.00 38.34 O ATOM 682 OE2 GLU A 90 14.034-322.316 15.682 1.00 32.07 O ATOM 0 H GLU A 90 10.738-320.374 12.797 1.00 19.08 H new ATOM 0 HA GLU A 90 9.539-322.743 13.222 1.00 21.91 H new ATOM 0 HB2 GLU A 90 10.553-320.950 15.179 1.00 23.20 H new ATOM 0 HB3 GLU A 90 9.951-322.345 15.530 1.00 23.20 H new ATOM 0 HG2 GLU A 90 11.765-323.456 14.814 1.00 28.71 H new ATOM 0 HG3 GLU A 90 12.191-322.318 13.836 1.00 28.71 H new ATOM 683 N SER A 91 7.865-320.248 13.055 1.00 21.99 N ATOM 684 CA SER A 91 6.618-319.529 13.300 1.00 19.69 C ATOM 685 C SER A 91 5.376-320.222 12.743 1.00 18.76 C ATOM 686 O SER A 91 5.451-321.005 11.796 1.00 19.29 O ATOM 687 CB SER A 91 6.704-318.120 12.704 1.00 20.30 C ATOM 688 OG SER A 91 6.301-318.120 11.342 1.00 18.67 O ATOM 0 H SER A 91 8.316-319.957 12.383 1.00 21.99 H new ATOM 0 HA SER A 91 6.516-319.501 14.264 1.00 19.69 H new ATOM 0 HB2 SER A 91 6.141-317.515 13.212 1.00 20.30 H new ATOM 0 HB3 SER A 91 7.613-317.789 12.776 1.00 20.30 H new ATOM 0 HG SER A 91 6.923-318.422 10.865 1.00 18.67 H new ATOM 689 N ARG A 92 4.229-319.894 13.329 1.00 16.66 N ATOM 690 CA ARG A 92 2.934-320.329 12.819 1.00 22.44 C ATOM 691 C ARG A 92 2.278-319.297 11.887 1.00 19.22 C ATOM 692 O ARG A 92 1.060-319.308 11.700 1.00 21.29 O ATOM 693 CB ARG A 92 1.983-320.651 13.973 1.00 24.33 C ATOM 694 CG ARG A 92 2.476-321.733 14.921 1.00 22.50 C ATOM 695 CD ARG A 92 1.344-322.169 15.821 1.00 28.37 C ATOM 696 NE ARG A 92 0.534-321.022 16.222 1.00 41.32 N ATOM 697 CZ ARG A 92 -0.661-321.100 16.802 1.00 40.47 C ATOM 698 NH1 ARG A 92 -1.208-322.281 17.057 1.00 41.14 N ATOM 699 NH2 ARG A 92 -1.310-319.989 17.123 1.00 31.77 N ATOM 0 H ARG A 92 4.180-319.410 14.038 1.00 16.66 H new ATOM 0 HA ARG A 92 3.103-321.128 12.295 1.00 22.44 H new ATOM 0 HB2 ARG A 92 1.825-319.840 14.482 1.00 24.33 H new ATOM 0 HB3 ARG A 92 1.129-320.926 13.605 1.00 24.33 H new ATOM 0 HG2 ARG A 92 2.811-322.491 14.416 1.00 22.50 H new ATOM 0 HG3 ARG A 92 3.215-321.398 15.453 1.00 22.50 H new ATOM 0 HD2 ARG A 92 0.789-322.817 15.360 1.00 28.37 H new ATOM 0 HD3 ARG A 92 1.701-322.610 16.608 1.00 28.37 H new ATOM 0 HE ARG A 92 0.853-320.238 16.072 1.00 41.32 H new ATOM 0 HH11 ARG A 92 -0.790-323.003 16.847 1.00 41.14 H new ATOM 0 HH12 ARG A 92 -1.981-322.325 17.432 1.00 41.14 H new ATOM 0 HH21 ARG A 92 -0.958-319.222 16.956 1.00 31.77 H new ATOM 0 HH22 ARG A 92 -2.083-320.035 17.498 1.00 31.77 H new ATOM 700 N ILE A 93 3.085-318.428 11.289 1.00 16.06 N ATOM 701 CA ILE A 93 2.546-317.353 10.452 1.00 17.58 C ATOM 702 C ILE A 93 1.722-317.870 9.273 1.00 19.70 C ATOM 703 O ILE A 93 0.714-317.274 8.924 1.00 21.92 O ATOM 704 CB ILE A 93 3.652-316.409 9.934 1.00 12.43 C ATOM 705 CG1 ILE A 93 3.043-315.109 9.389 1.00 20.48 C ATOM 706 CG2 ILE A 93 4.498-317.085 8.889 1.00 16.80 C ATOM 707 CD1 ILE A 93 2.377-314.268 10.445 1.00 17.71 C ATOM 0 H ILE A 93 3.943-318.440 11.352 1.00 16.06 H new ATOM 0 HA ILE A 93 1.953-316.853 11.034 1.00 17.58 H new ATOM 0 HB ILE A 93 4.229-316.185 10.681 1.00 12.43 H new ATOM 0 HG12 ILE A 93 3.741-314.587 8.963 1.00 20.48 H new ATOM 0 HG13 ILE A 93 2.393-315.328 8.703 1.00 20.48 H new ATOM 0 HG21 ILE A 93 5.184-316.472 8.581 1.00 16.80 H new ATOM 0 HG22 ILE A 93 4.917-317.872 9.271 1.00 16.80 H new ATOM 0 HG23 ILE A 93 3.940-317.347 8.141 1.00 16.80 H new ATOM 0 HD11 ILE A 93 2.014-313.465 10.039 1.00 17.71 H new ATOM 0 HD12 ILE A 93 1.659-314.774 10.857 1.00 17.71 H new ATOM 0 HD13 ILE A 93 3.028-314.022 11.121 1.00 17.71 H new ATOM 708 N LEU A 94 2.149-318.968 8.653 1.00 18.76 N ATOM 709 CA LEU A 94 1.420-319.515 7.501 1.00 20.95 C ATOM 710 C LEU A 94 -0.006-319.958 7.843 1.00 25.47 C ATOM 711 O LEU A 94 -0.824-320.171 6.949 1.00 26.77 O ATOM 712 CB LEU A 94 2.200-320.658 6.839 1.00 19.27 C ATOM 713 CG LEU A 94 3.584-320.262 6.308 1.00 16.19 C ATOM 714 CD1 LEU A 94 4.263-321.425 5.573 1.00 18.91 C ATOM 715 CD2 LEU A 94 3.487-319.031 5.410 1.00 18.27 C ATOM 0 H LEU A 94 2.851-319.410 8.878 1.00 18.76 H new ATOM 0 HA LEU A 94 1.339-318.786 6.867 1.00 20.95 H new ATOM 0 HB2 LEU A 94 2.307-321.376 7.482 1.00 19.27 H new ATOM 0 HB3 LEU A 94 1.673-321.011 6.105 1.00 19.27 H new ATOM 0 HG LEU A 94 4.138-320.040 7.072 1.00 16.19 H new ATOM 0 HD11 LEU A 94 5.133-321.141 5.251 1.00 18.91 H new ATOM 0 HD12 LEU A 94 4.372-322.173 6.181 1.00 18.91 H new ATOM 0 HD13 LEU A 94 3.714-321.697 4.821 1.00 18.91 H new ATOM 0 HD21 LEU A 94 4.370-318.797 5.085 1.00 18.27 H new ATOM 0 HD22 LEU A 94 2.907-319.224 4.657 1.00 18.27 H new ATOM 0 HD23 LEU A 94 3.122-318.289 5.917 1.00 18.27 H new ATOM 716 N ALA A 95 -0.299-320.108 9.132 1.00 22.02 N ATOM 717 CA ALA A 95 -1.668-320.373 9.574 1.00 24.65 C ATOM 718 C ALA A 95 -2.632-319.240 9.204 1.00 27.25 C ATOM 719 O ALA A 95 -3.833-319.461 9.115 1.00 32.91 O ATOM 720 CB ALA A 95 -1.706-320.617 11.061 1.00 30.35 C ATOM 0 H ALA A 95 0.279-320.060 9.767 1.00 22.02 H new ATOM 0 HA ALA A 95 -1.964-321.171 9.108 1.00 24.65 H new ATOM 0 HB1 ALA A 95 -2.619-320.791 11.337 1.00 30.35 H new ATOM 0 HB2 ALA A 95 -1.152-321.383 11.278 1.00 30.35 H new ATOM 0 HB3 ALA A 95 -1.371-319.834 11.526 1.00 30.35 H new ATOM 721 N LEU A 96 -2.116-318.029 9.006 1.00 20.16 N ATOM 722 CA LEU A 96 -2.953-316.932 8.522 1.00 25.44 C ATOM 723 C LEU A 96 -3.526-317.216 7.128 1.00 32.02 C ATOM 724 O LEU A 96 -4.387-316.469 6.642 1.00 31.47 O ATOM 725 CB LEU A 96 -2.172-315.617 8.465 1.00 27.23 C ATOM 726 CG LEU A 96 -1.642-314.945 9.730 1.00 24.62 C ATOM 727 CD1 LEU A 96 -0.750-313.789 9.323 1.00 24.74 C ATOM 728 CD2 LEU A 96 -2.774-314.467 10.615 1.00 27.32 C ATOM 0 H LEU A 96 -1.293-317.822 9.144 1.00 20.16 H new ATOM 0 HA LEU A 96 -3.683-316.854 9.156 1.00 25.44 H new ATOM 0 HB2 LEU A 96 -1.409-315.768 7.886 1.00 27.23 H new ATOM 0 HB3 LEU A 96 -2.742-314.970 8.020 1.00 27.23 H new ATOM 0 HG LEU A 96 -1.132-315.588 10.246 1.00 24.62 H new ATOM 0 HD11 LEU A 96 -0.405-313.351 10.117 1.00 24.74 H new ATOM 0 HD12 LEU A 96 -0.011-314.122 8.791 1.00 24.74 H new ATOM 0 HD13 LEU A 96 -1.263-313.153 8.800 1.00 24.74 H new ATOM 0 HD21 LEU A 96 -2.409-314.046 11.409 1.00 27.32 H new ATOM 0 HD22 LEU A 96 -3.316-313.826 10.129 1.00 27.32 H new ATOM 0 HD23 LEU A 96 -3.323-315.223 10.875 1.00 27.32 H new ATOM 729 N GLY A 97 -3.036-318.272 6.480 1.00 30.31 N ATOM 730 CA GLY A 97 -3.532-318.673 5.168 1.00 32.95 C ATOM 731 C GLY A 97 -4.595-319.773 5.199 1.00 41.83 C ATOM 732 O GLY A 97 -5.569-319.722 4.449 1.00 43.65 O ATOM 0 H GLY A 97 -2.409-318.773 6.789 1.00 30.31 H new ATOM 0 HA2 GLY A 97 -3.902-317.894 4.723 1.00 32.95 H new ATOM 0 HA3 GLY A 97 -2.784-318.978 4.631 1.00 32.95 H new ATOM 733 N GLY A 98 -4.410-320.772 6.061 1.00 39.79 N TER 734 GLY A 98 HETATM 735 O HOH A 101 3.777-321.272 9.699 1.00 15.69 O HETATM 736 O HOH A 102 -4.721-319.187 -11.365 1.00 20.48 O HETATM 737 O HOH A 103 -4.941-313.668 -4.698 1.00 12.06 O HETATM 738 O HOH A 104 1.537-321.079 2.754 1.00 21.60 O HETATM 739 O HOH A 105 -0.775-319.852 4.263 1.00 23.72 O HETATM 740 O HOH A 106 -4.241-315.908 -3.372 1.00 22.03 O HETATM 741 O HOH A 107 2.819-316.539 -9.754 1.00 25.61 O HETATM 742 O HOH A 108 -7.703-300.848 11.488 1.00 29.16 O HETATM 743 O HOH A 109 -4.866-319.658 -7.126 1.00 21.12 O HETATM 744 O HOH A 110 10.647-322.547 3.521 1.00 27.92 O HETATM 745 O HOH A 111 9.125-320.891 -0.682 1.00 33.48 O HETATM 746 O HOH A 112 7.313-323.510 11.310 1.00 24.11 O HETATM 747 O HOH A 113 -5.623-315.349 -0.959 1.00 23.95 O HETATM 748 O HOH A 114 -4.353-307.884 10.803 1.00 31.24 O HETATM 749 O HOH A 115 5.601-320.208 17.127 1.00 27.75 O HETATM 750 O HOH A 116 4.084-320.996 -2.522 1.00 15.39 O HETATM 751 O HOH A 117 1.748-321.227 -1.789 1.00 21.46 O HETATM 752 O HOH A 118 -2.726-322.896 -2.429 1.00 26.40 O HETATM 753 O HOH A 119 13.905-307.519 2.420 1.00 25.93 O HETATM 754 O HOH A 120 10.611-307.147 14.445 1.00 28.26 O HETATM 755 O HOH A 121 -4.829-301.207 -0.965 1.00 26.38 O HETATM 756 O HOH A 122 7.635-293.127 7.434 1.00 28.63 O HETATM 757 O HOH A 123 -5.290-318.245 -4.872 1.00 27.62 O HETATM 758 O HOH A 124 -4.845-305.099 4.295 1.00 24.22 O HETATM 759 O HOH A 125 -0.763-309.016 16.570 1.00 27.32 O HETATM 760 O HOH A 126 10.925-304.509 -2.533 1.00 25.79 O HETATM 761 O HOH A 127 -0.325-295.341 10.753 1.00 20.46 O HETATM 762 O HOH A 128 7.484-322.900 18.111 1.00 22.87 O HETATM 763 O HOH A 129 8.792-294.535 4.969 1.00 26.90 O HETATM 764 O HOH A 130 6.964-307.990 19.180 1.00 35.23 O HETATM 765 O HOH A 131 9.085-306.800 -8.594 1.00 30.91 O HETATM 766 O HOH A 132 2.205-298.487 -1.138 1.00 28.85 O HETATM 767 O HOH A 133 3.324-319.377 19.339 1.00 30.83 O HETATM 768 O HOH A 134 0.128-317.342 17.754 1.00 28.47 O HETATM 769 O HOH A 135 9.383-324.105 17.940 1.00 21.13 O HETATM 770 O HOH A 136 1.865-322.628 0.932 1.00 29.60 O HETATM 771 O HOH A 137 5.629-323.244 -2.107 1.00 25.17 O HETATM 772 O HOH A 138 5.313-309.995 19.926 1.00 22.50 O HETATM 773 O HOH A 139 8.438-323.992 4.588 1.00 26.25 O HETATM 774 O HOH A 140 15.248-308.079 6.780 1.00 31.94 O HETATM 775 O HOH A 141 4.343-305.303 -11.409 1.00 30.64 O HETATM 776 O HOH A 142 5.982-308.137 14.779 1.00 24.27 O HETATM 777 O HOH A 143 -6.852-304.283 2.457 1.00 27.46 O HETATM 778 O HOH A 144 -4.765-321.933 10.332 1.00 34.46 O HETATM 779 O HOH A 145 2.660-309.801 20.172 1.00 32.30 O HETATM 780 O HOH A 146 3.057-321.696 -5.171 1.00 21.34 O HETATM 781 O HOH A 147 13.631-308.973 14.989 1.00 30.46 O HETATM 782 O HOH A 148 6.345-325.051 8.830 1.00 23.16 O HETATM 783 O HOH A 149 -6.567-311.289 -9.921 1.00 25.97 O HETATM 784 O HOH A 150 14.282-309.001 4.656 1.00 28.76 O HETATM 785 O HOH A 151 -4.725-303.426 0.867 1.00 22.52 O HETATM 786 O HOH A 152 -3.508-320.024 20.656 1.00 31.98 O HETATM 787 O HOH A 153 15.462-311.677 3.594 1.00 30.11 O HETATM 788 O HOH A 154 -4.062-312.529 13.526 1.00 32.03 O HETATM 789 O HOH A 155 2.096-299.219 15.791 1.00 26.32 O HETATM 790 O HOH A 156 -3.513-311.084 15.778 1.00 34.01 O HETATM 791 O HOH A 157 -6.295-300.096 -9.518 1.00 25.30 O HETATM 792 O HOH A 158 -0.303-302.622 14.724 1.00 33.27 O HETATM 793 O HOH A 159 4.173-309.851 -15.976 1.00 32.72 O HETATM 794 O HOH A 160 -5.786-308.675 -9.431 1.00 27.47 O HETATM 795 O HOH A 161 14.000-312.435 7.661 1.00 28.06 O HETATM 796 O HOH A 162 -3.572-307.700 13.170 1.00 31.56 O HETATM 797 O HOH A 163 -7.740-313.870 -5.355 1.00 30.36 O HETATM 798 O HOH A 164 16.608-313.924 10.325 1.00 31.05 O HETATM 799 O HOH A 165 -6.643-301.800 -2.777 1.00 34.00 O HETATM 800 O HOH A 166 5.028-322.111 19.887 1.00 34.80 O HETATM 801 O HOH A 167 7.179-300.624 0.983 1.00 17.53 O HETATM 802 O HOH A 168 7.234-297.177 10.449 1.00 24.23 O HETATM 803 O HOH A 169 7.545-295.246 9.889 1.00 26.18 O HETATM 804 O HOH A 170 15.299-321.542 12.734 1.00 31.92 O HETATM 805 O HOH A 171 -1.037-308.098 18.803 1.00 33.60 O HETATM 806 O HOH A 172 -3.506-296.620 -8.344 1.00 29.17 O HETATM 807 O HOH A 173 2.525-318.123 20.946 1.00 32.26 O HETATM 808 O HOH A 174 -8.428-302.795 -0.339 1.00 33.37 O HETATM 809 O HOH A 175 7.384-321.902 -3.316 1.00 34.78 O HETATM 810 O HOH A 176 14.830-321.424 9.057 1.00 28.09 O HETATM 811 O HOH A 177 8.812-324.778 7.133 1.00 31.68 O HETATM 812 O HOH A 178 6.126-296.715 -6.146 1.00 45.33 O HETATM 813 O HOH A 179 13.963-319.537 18.185 1.00 35.41 O HETATM 814 O HOH A 180 6.171-298.155 1.810 1.00 26.65 O HETATM 815 O HOH A 181 6.937-296.353 -0.166 1.00 40.36 O HETATM 816 O HOH A 182 -6.709-299.320 13.075 1.00 37.44 O HETATM 817 O HOH A 183 6.778-293.512 3.079 1.00 35.39 O END