USER MOD reduce.3.24.130724 H: found=0, std=0, add=1178, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION,TRANSLATION,HYDROLASE 17-JUN-05 2A11 TITLE CRYSTAL STRUCTURE OF NUCLEASE DOMAIN OF RIBONUCLASE III FROM TITLE 2 MYCOBACTERIUM TUBERCULOSIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE III; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: NUCLEASE DOMAIN; COMPND 5 SYNONYM: RNASE III; COMPND 6 EC: 3.1.26.3; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; SOURCE 3 ORGANISM_TAXID: 1773; SOURCE 4 GENE: RNC; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID KEYWDS RIBONUCLEASE; RNASE III; NUCLEASE DOMAIN; STRUCTURAL GENOMICS, PSI, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE; MYCOBACTERIUM TUBERCULOSIS STRUCTURAL KEYWDS 3 PROTEOMICS PROJECT (XMTB), TRANSCRIPTION, TRANSLATION, HYDROLASE, KEYWDS 4 TRANSCRIPTION,TRANSLATION,HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR D.L.AKEY,J.M.BERGER,MYCOBACTERIUM TUBERCULOSIS STRUCTURAL PROTEOMICS AUTHOR 2 PROJECT (XMTB) REVDAT 5 16-NOV-11 2A11 1 HETATM REVDAT 4 13-JUL-11 2A11 1 VERSN REVDAT 3 24-FEB-09 2A11 1 VERSN REVDAT 2 25-OCT-05 2A11 1 JRNL REMARK REVDAT 1 05-JUL-05 2A11 0 JRNL AUTH D.L.AKEY,J.M.BERGER JRNL TITL STRUCTURE OF THE NUCLEASE DOMAIN OF RIBONUCLEASE III FROM M. JRNL TITL 2 TUBERCULOSIS AT 2.1 A JRNL REF PROTEIN SCI. V. 14 2744 2005 JRNL REFN ISSN 0961-8368 JRNL PMID 16155207 JRNL DOI 10.1110/PS.051665905 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 15447 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.259 REMARK 3 FREE R VALUE : 0.286 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 774 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1158 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 161 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 56.84 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -3.35500 REMARK 3 B22 (A**2) : -3.35500 REMARK 3 B33 (A**2) : 6.71000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 3.720 ; 3.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.215 ; 4.500 REMARK 3 SIDE-CHAIN BOND (A**2) : 5.729 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 7.726 ; 6.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 84.10 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : CNS_TOPPAR:PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : CNS_TOPPAR:DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : CNS_TOPPAR:WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : CNS_TOPPAR:ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : CNS_TOPPAR:PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : CNS_TOPPAR:DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : CNS_TOPPAR:WATER.TOP REMARK 3 TOPOLOGY FILE 4 : CNS_TOPPAR:ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2A11 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUN-05. REMARK 100 THE RCSB ID CODE IS RCSB033357. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-SEP-02; 04-AUG-03 REMARK 200 TEMPERATURE (KELVIN) : 100; NULL REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 2 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; N REMARK 200 RADIATION SOURCE : ALS; NULL REMARK 200 BEAMLINE : 8.3.1; NULL REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9793, 1.000, 1.100; NULL REMARK 200 MONOCHROMATOR : ALS 8.3.1; ALS 8.3.1 REMARK 200 OPTICS : NULL; NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD; CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4; ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : BLU-ICE REMARK 200 DATA SCALING SOFTWARE : HKL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15508 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 4.600 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 28.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.6 REMARK 200 DATA REDUNDANCY IN SHELL : 4.70 REMARK 200 R MERGE FOR SHELL (I) : 0.25200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD; SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.50 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 15% PEG 3000, 100 MM CA-ACETATE, 100 REMARK 280 MM TRIS-HCL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 48.00650 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 36.29450 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 36.29450 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 72.00975 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 36.29450 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 36.29450 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 24.00325 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 36.29450 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 36.29450 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 72.00975 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 36.29450 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 36.29450 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 24.00325 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 48.00650 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 300 REMARK: THE SECOND PART OF THE BIOLOGICAL ASSEMBLY IS GENERATED BY REMARK 300 THE TWO FOLD SYMMETRY OPERATOR: -X, -Y, -Z+1/2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA,PQS REMARK 350 TOTAL BURIED SURFACE AREA: 2650 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13760 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -44.0 KCAL/MOL 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 350 BIOMT1 2 0.000000 -1.000000 0.000000 72.58900 REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 72.58900 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 144.01950 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A1003 LIES ON A SPECIAL POSITION. 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 GLY A -1 REMARK 465 ALA A 0 REMARK 465 MET A 1 REMARK 465 LEU A 156 REMARK 465 GLY A 157 REMARK 465 ALA A 158 REMARK 465 GLY A 159 REMARK 465 LEU A 160 REMARK 465 ASP A 161 REMARK 465 TRP A 162 REMARK 465 LYS A 163 REMARK 465 THR A 164 REMARK 465 SER A 165 REMARK 465 LEU A 166 REMARK 465 GLN A 167 REMARK 465 GLU A 168 REMARK 465 LEU A 169 REMARK 465 THR A 170 REMARK 465 ALA A 171 REMARK 465 ALA A 172 REMARK 465 ARG A 173 REMARK 465 GLY A 174 REMARK 465 LEU A 175 REMARK 465 GLY A 176 REMARK 465 ALA A 177 REMARK 465 PRO A 178 REMARK 465 SER A 179 REMARK 465 TYR A 180 REMARK 465 LEU A 181 REMARK 465 VAL A 182 REMARK 465 THR A 183 REMARK 465 SER A 184 REMARK 465 THR A 185 REMARK 465 GLY A 186 REMARK 465 PRO A 187 REMARK 465 ASP A 188 REMARK 465 HIS A 189 REMARK 465 ASP A 190 REMARK 465 LYS A 191 REMARK 465 GLU A 192 REMARK 465 PHE A 193 REMARK 465 THR A 194 REMARK 465 ALA A 195 REMARK 465 VAL A 196 REMARK 465 VAL A 197 REMARK 465 VAL A 198 REMARK 465 VAL A 199 REMARK 465 MET A 200 REMARK 465 ASP A 201 REMARK 465 SER A 202 REMARK 465 GLU A 203 REMARK 465 TYR A 204 REMARK 465 GLY A 205 REMARK 465 SER A 206 REMARK 465 GLY A 207 REMARK 465 VAL A 208 REMARK 465 GLY A 209 REMARK 465 ARG A 210 REMARK 465 SER A 211 REMARK 465 LYS A 212 REMARK 465 LYS A 213 REMARK 465 GLU A 214 REMARK 465 ALA A 215 REMARK 465 GLU A 216 REMARK 465 GLN A 217 REMARK 465 LYS A 218 REMARK 465 ALA A 219 REMARK 465 ALA A 220 REMARK 465 ALA A 221 REMARK 465 ALA A 222 REMARK 465 ALA A 223 REMARK 465 TRP A 224 REMARK 465 LYS A 225 REMARK 465 ALA A 226 REMARK 465 LEU A 227 REMARK 465 GLU A 228 REMARK 465 VAL A 229 REMARK 465 LEU A 230 REMARK 465 ASP A 231 REMARK 465 ASN A 232 REMARK 465 ALA A 233 REMARK 465 MET A 234 REMARK 465 PRO A 235 REMARK 465 GLY A 236 REMARK 465 LYS A 237 REMARK 465 THR A 238 REMARK 465 SER A 239 REMARK 465 ALA A 240 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 NH1 ARG A 28 OH TYR A 32 2.04 REMARK 500 O HOH A 1016 O HOH A 1099 2.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 3 -70.62 24.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 28 0.27 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1047 DISTANCE = 6.53 ANGSTROMS REMARK 525 HOH A1063 DISTANCE = 5.34 ANGSTROMS REMARK 525 HOH A1065 DISTANCE = 5.35 ANGSTROMS REMARK 525 HOH A1068 DISTANCE = 6.38 ANGSTROMS REMARK 525 HOH A1079 DISTANCE = 7.27 ANGSTROMS REMARK 525 HOH A1086 DISTANCE = 5.16 ANGSTROMS REMARK 525 HOH A1125 DISTANCE = 5.91 ANGSTROMS REMARK 525 HOH A1139 DISTANCE = 5.57 ANGSTROMS REMARK 525 HOH A1147 DISTANCE = 6.17 ANGSTROMS REMARK 525 HOH A1149 DISTANCE = 6.66 ANGSTROMS REMARK 525 HOH A1152 DISTANCE = 5.19 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A1001 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 44 OE2 REMARK 620 2 GLU A 123 OE1 117.3 REMARK 620 3 HOH A1008 O 70.2 112.0 REMARK 620 4 HOH A1009 O 170.5 72.1 108.2 REMARK 620 5 HOH A1010 O 73.0 163.0 83.8 97.6 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A1002 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A1004 O REMARK 620 2 HOH A1005 O 100.2 REMARK 620 3 HOH A1006 O 102.2 80.7 REMARK 620 4 HOH A1007 O 95.8 163.9 96.5 REMARK 620 5 HOH A1010 O 98.9 121.5 145.9 54.6 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1002 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: RV2925C RELATED DB: TARGETDB DBREF 2A11 A 1 240 UNP P66666 RNC_MYCTU 1 240 SEQADV 2A11 GLY A -1 UNP P66666 CLONING ARTIFACT SEQADV 2A11 ALA A 0 UNP P66666 CLONING ARTIFACT SEQRES 1 A 242 GLY ALA MET ILE ARG SER ARG GLN PRO LEU LEU ASP ALA SEQRES 2 A 242 LEU GLY VAL ASP LEU PRO ASP GLU LEU LEU SER LEU ALA SEQRES 3 A 242 LEU THR HIS ARG SER TYR ALA TYR GLU ASN GLY GLY LEU SEQRES 4 A 242 PRO THR ASN GLU ARG LEU GLU PHE LEU GLY ASP ALA VAL SEQRES 5 A 242 LEU GLY LEU THR ILE THR ASP ALA LEU PHE HIS ARG HIS SEQRES 6 A 242 PRO ASP ARG SER GLU GLY ASP LEU ALA LYS LEU ARG ALA SEQRES 7 A 242 SER VAL VAL ASN THR GLN ALA LEU ALA ASP VAL ALA ARG SEQRES 8 A 242 ARG LEU CYS ALA GLU GLY LEU GLY VAL HIS VAL LEU LEU SEQRES 9 A 242 GLY ARG GLY GLU ALA ASN THR GLY GLY ALA ASP LYS SER SEQRES 10 A 242 SER ILE LEU ALA ASP GLY MET GLU SER LEU LEU GLY ALA SEQRES 11 A 242 ILE TYR LEU GLN HIS GLY MET GLU LYS ALA ARG GLU VAL SEQRES 12 A 242 ILE LEU ARG LEU PHE GLY PRO LEU LEU ASP ALA ALA PRO SEQRES 13 A 242 THR LEU GLY ALA GLY LEU ASP TRP LYS THR SER LEU GLN SEQRES 14 A 242 GLU LEU THR ALA ALA ARG GLY LEU GLY ALA PRO SER TYR SEQRES 15 A 242 LEU VAL THR SER THR GLY PRO ASP HIS ASP LYS GLU PHE SEQRES 16 A 242 THR ALA VAL VAL VAL VAL MET ASP SER GLU TYR GLY SER SEQRES 17 A 242 GLY VAL GLY ARG SER LYS LYS GLU ALA GLU GLN LYS ALA SEQRES 18 A 242 ALA ALA ALA ALA TRP LYS ALA LEU GLU VAL LEU ASP ASN SEQRES 19 A 242 ALA MET PRO GLY LYS THR SER ALA HET CA A1001 1 HET CA A1002 1 HETNAM CA CALCIUM ION FORMUL 2 CA 2(CA 2+) FORMUL 4 HOH *161(H2 O) HELIX 1 1 ARG A 5 GLY A 13 1 9 HELIX 2 2 PRO A 17 LEU A 25 1 9 HELIX 3 3 HIS A 27 ASN A 34 1 8 HELIX 4 4 ASN A 40 HIS A 63 1 24 HELIX 5 5 SER A 67 ASN A 80 1 14 HELIX 6 6 ASN A 80 LEU A 91 1 12 HELIX 7 7 LEU A 96 VAL A 100 5 5 HELIX 8 8 GLY A 103 THR A 109 1 7 HELIX 9 9 GLY A 110 ASP A 113 5 4 HELIX 10 10 LYS A 114 GLY A 134 1 21 HELIX 11 11 GLY A 134 PHE A 146 1 13 HELIX 12 12 PHE A 146 ALA A 153 1 8 LINK CA CA A1001 OE2 GLU A 44 1555 1555 2.29 LINK CA CA A1001 OE1 GLU A 123 1555 1555 2.79 LINK CA CA A1001 O HOH A1008 1555 1555 2.84 LINK CA CA A1001 O HOH A1009 1555 1555 2.60 LINK CA CA A1001 O HOH A1010 1555 1555 2.88 LINK CA CA A1002 O HOH A1004 1555 1555 2.28 LINK CA CA A1002 O HOH A1005 1555 1555 2.52 LINK CA CA A1002 O HOH A1006 1555 1555 2.83 LINK CA CA A1002 O HOH A1007 1555 1555 2.48 LINK CA CA A1002 O HOH A1010 1555 1555 3.30 SITE *** AC1 6 GLU A 44 ASP A 120 GLU A 123 HOH A1008 SITE *** AC1 6 HOH A1009 HOH A1010 SITE *** AC2 4 HOH A1004 HOH A1005 HOH A1006 HOH A1007 CRYST1 72.589 72.589 96.013 90.00 90.00 90.00 P 43 21 2 8 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 0.013776 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013776 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010415 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= -0.108 K(o=0.056,f=-4!) USER MOD Set 1.2: A 124 SER OG : rot 69:sc= 0.164 USER MOD Set 2.1: A 54 THR OG1 : rot 78:sc= 0.281 USER MOD Set 2.2: A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -0.267 K(o=0.56,f=-4.1!) USER MOD Set 3.2: A 29 SER OG : rot -83:sc= 0.831 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.982 K(o=-0.98,f=-0.2) USER MOD Single : A 22 SER OG : rot 80:sc= 1.04 USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.849 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -90:sc= -4.87! USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=0.75) USER MOD Single : A 39 THR OG1 : rot -171:sc= 1.18 USER MOD Single : A 56 THR OG1 : rot 77:sc= 1.99 USER MOD Single : A 61 HIS : no HD1:sc= -2.59! K(o=-2.6!,f=0.57) USER MOD Single : A 63 HIS : no HD1:sc= -10.5! C(o=-10!,f=-9.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 80 ASN : amide:sc= -1.8! C(o=-1.8!,f=-9.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.18) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -1.37! C(o=-1.4!,f=-2.7!) USER MOD Single : A 108 ASN : amide:sc= -7.94! C(o=-7.9!,f=-2.1!) USER MOD Single : A 109 THR OG1 : rot -72:sc= 0.648 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0764 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= -0.066 X(o=-0.066,f=-0.5) USER MOD Single : A 133 HIS : no HD1:sc= 0.0131 K(o=0.013,f=-1.2) USER MOD Single : A 137 LYS NZ :NH3+ -175:sc= 0.142 (180deg=0.136) USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 2 61.118 19.206 39.707 1.00 97.20 N ATOM 2 CA ILE A 2 62.060 19.648 40.723 1.00 98.00 C ATOM 3 C ILE A 2 61.824 21.144 41.040 1.00 97.56 C ATOM 4 O ILE A 2 60.688 21.570 41.223 1.00 98.88 O ATOM 5 CB ILE A 2 63.504 19.328 40.298 1.00101.57 C ATOM 6 CG1 ILE A 2 63.873 17.901 40.729 1.00104.18 C ATOM 7 CG2 ILE A 2 64.472 20.334 40.883 1.00102.33 C ATOM 8 CD1 ILE A 2 65.377 17.610 41.023 1.00105.81 C ATOM 0 HA ILE A 2 61.912 19.160 41.548 1.00 98.00 H new ATOM 0 HB ILE A 2 63.564 19.386 39.332 1.00101.57 H new ATOM 0 HG12 ILE A 2 63.364 17.687 41.527 1.00104.18 H new ATOM 0 HG13 ILE A 2 63.580 17.292 40.034 1.00104.18 H new ATOM 0 HG21 ILE A 2 65.375 20.115 40.604 1.00102.33 H new ATOM 0 HG22 ILE A 2 64.244 21.223 40.569 1.00102.33 H new ATOM 0 HG23 ILE A 2 64.419 20.310 41.851 1.00102.33 H new ATOM 0 HD11 ILE A 2 65.482 16.682 41.284 1.00105.81 H new ATOM 0 HD12 ILE A 2 65.902 17.783 40.226 1.00105.81 H new ATOM 0 HD13 ILE A 2 65.683 18.184 41.742 1.00105.81 H new ATOM 9 N ARG A 3 62.895 21.937 41.092 1.00 94.72 N ATOM 10 CA ARG A 3 62.922 23.370 41.396 1.00 92.24 C ATOM 11 C ARG A 3 61.768 23.937 42.225 1.00 89.01 C ATOM 12 O ARG A 3 61.982 24.307 43.391 1.00 90.23 O ATOM 13 CB ARG A 3 63.074 24.179 40.108 1.00 95.99 C ATOM 14 CG ARG A 3 64.058 25.373 40.193 1.00101.73 C ATOM 15 CD ARG A 3 65.499 24.900 40.305 1.00106.75 C ATOM 16 NE ARG A 3 66.433 25.933 39.854 1.00109.65 N ATOM 17 CZ ARG A 3 66.942 26.005 38.624 1.00110.23 C ATOM 18 NH1 ARG A 3 66.616 25.095 37.718 1.00109.26 N ATOM 19 NH2 ARG A 3 67.759 26.996 38.290 1.00106.22 N ATOM 0 H ARG A 3 63.683 21.629 40.939 1.00 94.72 H new ATOM 0 HA ARG A 3 63.693 23.460 41.978 1.00 92.24 H new ATOM 0 HB2 ARG A 3 63.370 23.584 39.402 1.00 95.99 H new ATOM 0 HB3 ARG A 3 62.202 24.515 39.849 1.00 95.99 H new ATOM 0 HG2 ARG A 3 63.960 25.932 39.406 1.00101.73 H new ATOM 0 HG3 ARG A 3 63.836 25.923 40.961 1.00101.73 H new ATOM 0 HD2 ARG A 3 65.694 24.664 41.225 1.00106.75 H new ATOM 0 HD3 ARG A 3 65.620 24.097 39.775 1.00106.75 H new ATOM 0 HE ARG A 3 66.670 26.535 40.421 1.00109.65 H new ATOM 0 HH11 ARG A 3 66.076 24.458 37.923 1.00109.26 H new ATOM 0 HH12 ARG A 3 66.944 25.141 36.924 1.00109.26 H new ATOM 0 HH21 ARG A 3 67.964 27.598 38.869 1.00106.22 H new ATOM 0 HH22 ARG A 3 68.084 27.036 37.495 1.00106.22 H new ATOM 20 N SER A 4 60.565 24.023 41.652 1.00 82.04 N ATOM 21 CA SER A 4 59.445 24.575 42.407 1.00 74.29 C ATOM 22 C SER A 4 59.093 23.738 43.629 1.00 67.31 C ATOM 23 O SER A 4 58.845 22.534 43.544 1.00 60.90 O ATOM 24 CB SER A 4 58.204 24.739 41.538 1.00 74.67 C ATOM 25 OG SER A 4 57.165 25.328 42.302 1.00 66.02 O ATOM 0 H SER A 4 60.382 23.774 40.849 1.00 82.04 H new ATOM 0 HA SER A 4 59.741 25.448 42.710 1.00 74.29 H new ATOM 0 HB2 SER A 4 58.407 25.294 40.769 1.00 74.67 H new ATOM 0 HB3 SER A 4 57.919 23.876 41.198 1.00 74.67 H new ATOM 0 HG SER A 4 56.482 25.420 41.822 1.00 66.02 H new ATOM 26 N ARG A 5 59.039 24.405 44.771 1.00 64.96 N ATOM 27 CA ARG A 5 58.743 23.728 46.019 1.00 65.58 C ATOM 28 C ARG A 5 57.277 23.806 46.418 1.00 66.78 C ATOM 29 O ARG A 5 56.921 23.398 47.519 1.00 66.68 O ATOM 30 CB ARG A 5 59.628 24.301 47.130 1.00 56.65 C ATOM 31 CG ARG A 5 61.114 24.074 46.868 1.00 50.31 C ATOM 32 CD ARG A 5 62.015 24.858 47.809 1.00 47.89 C ATOM 33 NE ARG A 5 63.385 24.436 47.587 1.00 42.22 N ATOM 34 CZ ARG A 5 64.444 24.995 48.144 1.00 43.82 C ATOM 35 NH1 ARG A 5 64.300 26.026 48.976 1.00 42.76 N ATOM 36 NH2 ARG A 5 65.651 24.513 47.867 1.00 44.43 N ATOM 0 H ARG A 5 59.171 25.252 44.844 1.00 64.96 H new ATOM 0 HA ARG A 5 58.935 22.787 45.885 1.00 65.58 H new ATOM 0 HB2 ARG A 5 59.459 25.252 47.216 1.00 56.65 H new ATOM 0 HB3 ARG A 5 59.386 23.893 47.976 1.00 56.65 H new ATOM 0 HG2 ARG A 5 61.311 23.128 46.954 1.00 50.31 H new ATOM 0 HG3 ARG A 5 61.317 24.323 45.953 1.00 50.31 H new ATOM 0 HD2 ARG A 5 61.925 25.810 47.648 1.00 47.89 H new ATOM 0 HD3 ARG A 5 61.758 24.701 48.731 1.00 47.89 H new ATOM 0 HE ARG A 5 63.517 23.774 47.054 1.00 42.22 H new ATOM 0 HH11 ARG A 5 63.515 26.330 49.152 1.00 42.76 H new ATOM 0 HH12 ARG A 5 64.992 26.387 49.337 1.00 42.76 H new ATOM 0 HH21 ARG A 5 65.735 23.846 47.331 1.00 44.43 H new ATOM 0 HH22 ARG A 5 66.348 24.869 48.224 1.00 44.43 H new ATOM 37 N GLN A 6 56.420 24.301 45.526 1.00 67.57 N ATOM 38 CA GLN A 6 55.001 24.406 45.862 1.00 67.93 C ATOM 39 C GLN A 6 54.350 23.041 46.014 1.00 64.89 C ATOM 40 O GLN A 6 53.609 22.806 46.960 1.00 64.75 O ATOM 41 CB GLN A 6 54.235 25.223 44.819 1.00 69.72 C ATOM 42 CG GLN A 6 52.894 25.724 45.345 1.00 67.95 C ATOM 43 CD GLN A 6 53.046 26.674 46.533 1.00 73.35 C ATOM 44 OE1 GLN A 6 52.187 26.729 47.409 1.00 77.52 O ATOM 45 NE2 GLN A 6 54.137 27.434 46.555 1.00 75.47 N ATOM 0 H GLN A 6 56.633 24.576 44.739 1.00 67.57 H new ATOM 0 HA GLN A 6 54.957 24.865 46.716 1.00 67.93 H new ATOM 0 HB2 GLN A 6 54.775 25.980 44.544 1.00 69.72 H new ATOM 0 HB3 GLN A 6 54.087 24.679 44.030 1.00 69.72 H new ATOM 0 HG2 GLN A 6 52.420 26.178 44.631 1.00 67.95 H new ATOM 0 HG3 GLN A 6 52.350 24.965 45.609 1.00 67.95 H new ATOM 0 HE21 GLN A 6 54.719 27.370 45.925 1.00 75.47 H new ATOM 0 HE22 GLN A 6 54.261 27.990 47.199 1.00 75.47 H new ATOM 46 N PRO A 7 54.620 22.118 45.085 1.00 63.38 N ATOM 47 CA PRO A 7 54.005 20.794 45.217 1.00 65.63 C ATOM 48 C PRO A 7 54.380 20.145 46.559 1.00 68.50 C ATOM 49 O PRO A 7 53.664 19.281 47.070 1.00 71.81 O ATOM 50 CB PRO A 7 54.550 20.039 44.005 1.00 63.38 C ATOM 51 CG PRO A 7 55.882 20.676 43.784 1.00 63.17 C ATOM 52 CD PRO A 7 55.612 22.142 44.000 1.00 61.09 C ATOM 0 HA PRO A 7 53.035 20.806 45.226 1.00 65.63 H new ATOM 0 HB2 PRO A 7 54.631 19.088 44.181 1.00 63.38 H new ATOM 0 HB3 PRO A 7 53.973 20.136 43.232 1.00 63.38 H new ATOM 0 HG2 PRO A 7 56.546 20.340 44.406 1.00 63.17 H new ATOM 0 HG3 PRO A 7 56.217 20.503 42.890 1.00 63.17 H new ATOM 0 HD2 PRO A 7 56.414 22.625 44.253 1.00 61.09 H new ATOM 0 HD3 PRO A 7 55.265 22.568 43.201 1.00 61.09 H new ATOM 53 N LEU A 8 55.500 20.582 47.132 1.00 67.50 N ATOM 54 CA LEU A 8 55.956 20.068 48.421 1.00 61.94 C ATOM 55 C LEU A 8 55.191 20.790 49.531 1.00 61.62 C ATOM 56 O LEU A 8 54.612 20.154 50.406 1.00 57.16 O ATOM 57 CB LEU A 8 57.460 20.314 48.596 1.00 60.78 C ATOM 58 CG LEU A 8 58.313 19.217 49.247 1.00 55.15 C ATOM 59 CD1 LEU A 8 59.617 19.840 49.666 1.00 58.02 C ATOM 60 CD2 LEU A 8 57.622 18.608 50.452 1.00 50.45 C ATOM 0 H LEU A 8 56.013 21.180 46.787 1.00 67.50 H new ATOM 0 HA LEU A 8 55.793 19.113 48.462 1.00 61.94 H new ATOM 0 HB2 LEU A 8 57.833 20.495 47.719 1.00 60.78 H new ATOM 0 HB3 LEU A 8 57.567 21.122 49.122 1.00 60.78 H new ATOM 0 HG LEU A 8 58.456 18.501 48.608 1.00 55.15 H new ATOM 0 HD11 LEU A 8 60.178 19.167 50.082 1.00 58.02 H new ATOM 0 HD12 LEU A 8 60.069 20.201 48.887 1.00 58.02 H new ATOM 0 HD13 LEU A 8 59.446 20.554 50.299 1.00 58.02 H new ATOM 0 HD21 LEU A 8 58.188 17.921 50.837 1.00 50.45 H new ATOM 0 HD22 LEU A 8 57.457 19.298 51.113 1.00 50.45 H new ATOM 0 HD23 LEU A 8 56.779 18.215 50.177 1.00 50.45 H new ATOM 61 N LEU A 9 55.195 22.121 49.496 1.00 59.17 N ATOM 62 CA LEU A 9 54.486 22.898 50.506 1.00 63.57 C ATOM 63 C LEU A 9 53.014 22.515 50.497 1.00 69.13 C ATOM 64 O LEU A 9 52.294 22.719 51.484 1.00 67.44 O ATOM 65 CB LEU A 9 54.631 24.398 50.246 1.00 60.46 C ATOM 66 CG LEU A 9 55.974 25.053 50.598 1.00 60.83 C ATOM 67 CD1 LEU A 9 55.970 26.477 50.084 1.00 54.95 C ATOM 68 CD2 LEU A 9 56.214 25.025 52.114 1.00 54.74 C ATOM 0 H LEU A 9 55.600 22.590 48.899 1.00 59.17 H new ATOM 0 HA LEU A 9 54.872 22.702 51.374 1.00 63.57 H new ATOM 0 HB2 LEU A 9 54.459 24.556 49.305 1.00 60.46 H new ATOM 0 HB3 LEU A 9 53.935 24.856 50.743 1.00 60.46 H new ATOM 0 HG LEU A 9 56.695 24.557 50.179 1.00 60.83 H new ATOM 0 HD11 LEU A 9 56.815 26.902 50.301 1.00 54.95 H new ATOM 0 HD12 LEU A 9 55.848 26.474 49.122 1.00 54.95 H new ATOM 0 HD13 LEU A 9 55.245 26.969 50.500 1.00 54.95 H new ATOM 0 HD21 LEU A 9 57.066 25.443 52.315 1.00 54.74 H new ATOM 0 HD22 LEU A 9 55.503 25.509 52.563 1.00 54.74 H new ATOM 0 HD23 LEU A 9 56.224 24.106 52.423 1.00 54.74 H new ATOM 69 N ASP A 10 52.577 21.951 49.374 1.00 69.47 N ATOM 70 CA ASP A 10 51.202 21.509 49.223 1.00 71.93 C ATOM 71 C ASP A 10 51.025 20.170 49.918 1.00 72.55 C ATOM 72 O ASP A 10 50.133 20.017 50.746 1.00 76.50 O ATOM 73 CB ASP A 10 50.820 21.400 47.740 1.00 77.94 C ATOM 74 CG ASP A 10 50.557 22.761 47.103 1.00 84.25 C ATOM 75 OD1 ASP A 10 49.842 23.578 47.719 1.00 85.31 O ATOM 76 OD2 ASP A 10 51.053 23.014 45.985 1.00 91.66 O ATOM 0 H ASP A 10 53.070 21.816 48.683 1.00 69.47 H new ATOM 0 HA ASP A 10 50.614 22.164 49.632 1.00 71.93 H new ATOM 0 HB2 ASP A 10 51.533 20.953 47.258 1.00 77.94 H new ATOM 0 HB3 ASP A 10 50.028 20.847 47.653 1.00 77.94 H new ATOM 77 N ALA A 11 51.866 19.196 49.591 1.00 73.75 N ATOM 78 CA ALA A 11 51.768 17.896 50.246 1.00 73.51 C ATOM 79 C ALA A 11 51.729 18.112 51.763 1.00 72.94 C ATOM 80 O ALA A 11 50.857 17.597 52.456 1.00 71.58 O ATOM 81 CB ALA A 11 52.959 17.032 49.870 1.00 73.58 C ATOM 0 H ALA A 11 52.490 19.264 49.003 1.00 73.75 H new ATOM 0 HA ALA A 11 50.960 17.443 49.959 1.00 73.51 H new ATOM 0 HB1 ALA A 11 52.886 16.170 50.310 1.00 73.58 H new ATOM 0 HB2 ALA A 11 52.975 16.904 48.909 1.00 73.58 H new ATOM 0 HB3 ALA A 11 53.778 17.469 50.151 1.00 73.58 H new ATOM 82 N LEU A 12 52.678 18.897 52.263 1.00 70.90 N ATOM 83 CA LEU A 12 52.768 19.197 53.683 1.00 70.71 C ATOM 84 C LEU A 12 51.478 19.791 54.220 1.00 72.83 C ATOM 85 O LEU A 12 51.051 19.461 55.327 1.00 76.78 O ATOM 86 CB LEU A 12 53.924 20.160 53.943 1.00 66.92 C ATOM 87 CG LEU A 12 55.251 19.511 54.340 1.00 60.44 C ATOM 88 CD1 LEU A 12 55.476 18.215 53.575 1.00 62.04 C ATOM 89 CD2 LEU A 12 56.369 20.497 54.091 1.00 49.55 C ATOM 0 H LEU A 12 53.288 19.270 51.785 1.00 70.90 H new ATOM 0 HA LEU A 12 52.926 18.360 54.147 1.00 70.71 H new ATOM 0 HB2 LEU A 12 54.068 20.690 53.143 1.00 66.92 H new ATOM 0 HB3 LEU A 12 53.660 20.774 54.646 1.00 66.92 H new ATOM 0 HG LEU A 12 55.231 19.282 55.282 1.00 60.44 H new ATOM 0 HD11 LEU A 12 56.322 17.823 53.843 1.00 62.04 H new ATOM 0 HD12 LEU A 12 54.756 17.595 53.770 1.00 62.04 H new ATOM 0 HD13 LEU A 12 55.493 18.400 52.623 1.00 62.04 H new ATOM 0 HD21 LEU A 12 57.216 20.095 54.340 1.00 49.55 H new ATOM 0 HD22 LEU A 12 56.388 20.735 53.151 1.00 49.55 H new ATOM 0 HD23 LEU A 12 56.221 21.295 54.623 1.00 49.55 H new ATOM 90 N GLY A 13 50.868 20.677 53.442 1.00 67.86 N ATOM 91 CA GLY A 13 49.618 21.280 53.860 1.00 62.43 C ATOM 92 C GLY A 13 49.768 22.573 54.631 1.00 61.05 C ATOM 93 O GLY A 13 48.787 23.137 55.110 1.00 61.63 O ATOM 0 H GLY A 13 51.160 20.938 52.677 1.00 67.86 H new ATOM 0 HA2 GLY A 13 49.075 21.447 53.074 1.00 62.43 H new ATOM 0 HA3 GLY A 13 49.134 20.644 54.410 1.00 62.43 H new ATOM 94 N VAL A 14 50.992 23.051 54.775 1.00 58.06 N ATOM 95 CA VAL A 14 51.194 24.303 55.480 1.00 56.17 C ATOM 96 C VAL A 14 52.098 25.162 54.640 1.00 58.95 C ATOM 97 O VAL A 14 52.429 24.811 53.512 1.00 63.03 O ATOM 98 CB VAL A 14 51.856 24.100 56.846 1.00 61.45 C ATOM 99 CG1 VAL A 14 50.976 23.207 57.720 1.00 63.26 C ATOM 100 CG2 VAL A 14 53.256 23.508 56.666 1.00 50.39 C ATOM 0 H VAL A 14 51.707 22.675 54.479 1.00 58.06 H new ATOM 0 HA VAL A 14 50.328 24.714 55.628 1.00 56.17 H new ATOM 0 HB VAL A 14 51.951 24.956 57.293 1.00 61.45 H new ATOM 0 HG11 VAL A 14 51.399 23.081 58.584 1.00 63.26 H new ATOM 0 HG12 VAL A 14 50.110 23.626 57.843 1.00 63.26 H new ATOM 0 HG13 VAL A 14 50.860 22.346 57.289 1.00 63.26 H new ATOM 0 HG21 VAL A 14 53.669 23.382 57.535 1.00 50.39 H new ATOM 0 HG22 VAL A 14 53.190 22.653 56.213 1.00 50.39 H new ATOM 0 HG23 VAL A 14 53.798 24.113 56.136 1.00 50.39 H new ATOM 101 N ASP A 15 52.500 26.296 55.187 1.00 58.48 N ATOM 102 CA ASP A 15 53.376 27.173 54.454 1.00 58.27 C ATOM 103 C ASP A 15 54.647 27.408 55.240 1.00 56.82 C ATOM 104 O ASP A 15 54.625 27.549 56.464 1.00 53.67 O ATOM 105 CB ASP A 15 52.702 28.512 54.177 1.00 66.73 C ATOM 106 CG ASP A 15 53.546 29.397 53.288 1.00 77.13 C ATOM 107 OD1 ASP A 15 53.632 29.102 52.074 1.00 81.97 O ATOM 108 OD2 ASP A 15 54.141 30.369 53.806 1.00 80.48 O ATOM 0 H ASP A 15 52.278 26.570 55.971 1.00 58.48 H new ATOM 0 HA ASP A 15 53.586 26.748 53.608 1.00 58.27 H new ATOM 0 HB2 ASP A 15 51.841 28.359 53.757 1.00 66.73 H new ATOM 0 HB3 ASP A 15 52.531 28.967 55.016 1.00 66.73 H new ATOM 109 N LEU A 16 55.765 27.448 54.532 1.00 51.63 N ATOM 110 CA LEU A 16 57.029 27.672 55.194 1.00 50.72 C ATOM 111 C LEU A 16 57.843 28.722 54.483 1.00 49.07 C ATOM 112 O LEU A 16 58.010 28.673 53.262 1.00 55.04 O ATOM 113 CB LEU A 16 57.842 26.370 55.256 1.00 47.55 C ATOM 114 CG LEU A 16 57.313 25.201 56.094 1.00 44.35 C ATOM 115 CD1 LEU A 16 58.213 23.980 55.869 1.00 36.38 C ATOM 116 CD2 LEU A 16 57.284 25.591 57.574 1.00 43.43 C ATOM 0 H LEU A 16 55.810 27.349 53.679 1.00 51.63 H new ATOM 0 HA LEU A 16 56.833 27.981 56.092 1.00 50.72 H new ATOM 0 HB2 LEU A 16 57.953 26.051 54.347 1.00 47.55 H new ATOM 0 HB3 LEU A 16 58.726 26.592 55.589 1.00 47.55 H new ATOM 0 HG LEU A 16 56.408 24.982 55.823 1.00 44.35 H new ATOM 0 HD11 LEU A 16 57.885 23.235 56.396 1.00 36.38 H new ATOM 0 HD12 LEU A 16 58.204 23.740 54.929 1.00 36.38 H new ATOM 0 HD13 LEU A 16 59.120 24.192 56.139 1.00 36.38 H new ATOM 0 HD21 LEU A 16 56.948 24.847 58.098 1.00 43.43 H new ATOM 0 HD22 LEU A 16 58.181 25.814 57.868 1.00 43.43 H new ATOM 0 HD23 LEU A 16 56.704 26.359 57.695 1.00 43.43 H new ATOM 117 N PRO A 17 58.366 29.687 55.239 1.00 38.01 N ATOM 118 CA PRO A 17 59.191 30.763 54.695 1.00 39.67 C ATOM 119 C PRO A 17 60.323 30.101 53.892 1.00 49.41 C ATOM 120 O PRO A 17 60.830 29.035 54.282 1.00 37.66 O ATOM 121 CB PRO A 17 59.742 31.448 55.940 1.00 40.57 C ATOM 122 CG PRO A 17 58.724 31.149 56.993 1.00 51.30 C ATOM 123 CD PRO A 17 58.333 29.726 56.708 1.00 47.36 C ATOM 0 HA PRO A 17 58.727 31.387 54.115 1.00 39.67 H new ATOM 0 HB2 PRO A 17 60.615 31.100 56.180 1.00 40.57 H new ATOM 0 HB3 PRO A 17 59.844 32.403 55.805 1.00 40.57 H new ATOM 0 HG2 PRO A 17 59.093 31.246 57.885 1.00 51.30 H new ATOM 0 HG3 PRO A 17 57.963 31.747 56.934 1.00 51.30 H new ATOM 0 HD2 PRO A 17 58.954 29.093 57.102 1.00 47.36 H new ATOM 0 HD3 PRO A 17 57.453 29.515 57.057 1.00 47.36 H new ATOM 124 N ASP A 18 60.725 30.742 52.794 1.00 48.52 N ATOM 125 CA ASP A 18 61.778 30.232 51.912 1.00 45.34 C ATOM 126 C ASP A 18 63.068 29.808 52.618 1.00 39.64 C ATOM 127 O ASP A 18 63.585 28.728 52.364 1.00 42.36 O ATOM 128 CB ASP A 18 62.129 31.289 50.866 1.00 56.12 C ATOM 129 CG ASP A 18 60.905 31.876 50.198 1.00 65.46 C ATOM 130 OD1 ASP A 18 60.142 31.115 49.567 1.00 68.96 O ATOM 131 OD2 ASP A 18 60.708 33.103 50.306 1.00 74.88 O ATOM 0 H ASP A 18 60.391 31.492 52.537 1.00 48.52 H new ATOM 0 HA ASP A 18 61.406 29.430 51.514 1.00 45.34 H new ATOM 0 HB2 ASP A 18 62.636 32.001 51.288 1.00 56.12 H new ATOM 0 HB3 ASP A 18 62.703 30.893 50.191 1.00 56.12 H new ATOM 132 N GLU A 19 63.593 30.667 53.485 1.00 37.57 N ATOM 133 CA GLU A 19 64.821 30.368 54.194 1.00 45.87 C ATOM 134 C GLU A 19 64.744 29.125 55.089 1.00 50.61 C ATOM 135 O GLU A 19 65.678 28.316 55.122 1.00 49.96 O ATOM 136 CB GLU A 19 65.252 31.576 55.024 1.00 51.14 C ATOM 137 CG GLU A 19 64.104 32.368 55.621 1.00 75.93 C ATOM 138 CD GLU A 19 63.241 33.037 54.559 1.00 85.95 C ATOM 139 OE1 GLU A 19 63.800 33.730 53.680 1.00 92.84 O ATOM 140 OE2 GLU A 19 62.004 32.873 54.604 1.00 91.24 O ATOM 0 H GLU A 19 63.248 31.432 53.675 1.00 37.57 H new ATOM 0 HA GLU A 19 65.480 30.168 53.511 1.00 45.87 H new ATOM 0 HB2 GLU A 19 65.829 31.272 55.742 1.00 51.14 H new ATOM 0 HB3 GLU A 19 65.782 32.166 54.465 1.00 51.14 H new ATOM 0 HG2 GLU A 19 63.552 31.777 56.157 1.00 75.93 H new ATOM 0 HG3 GLU A 19 64.458 33.045 56.219 1.00 75.93 H new ATOM 141 N LEU A 20 63.639 28.968 55.811 1.00 47.17 N ATOM 142 CA LEU A 20 63.486 27.820 56.697 1.00 48.04 C ATOM 143 C LEU A 20 63.315 26.545 55.908 1.00 41.52 C ATOM 144 O LEU A 20 63.849 25.499 56.275 1.00 44.93 O ATOM 145 CB LEU A 20 62.280 27.996 57.622 1.00 48.71 C ATOM 146 CG LEU A 20 61.966 26.823 58.551 1.00 43.63 C ATOM 147 CD1 LEU A 20 63.123 26.629 59.534 1.00 39.59 C ATOM 148 CD2 LEU A 20 60.658 27.099 59.296 1.00 41.65 C ATOM 0 H LEU A 20 62.971 29.510 55.803 1.00 47.17 H new ATOM 0 HA LEU A 20 64.294 27.762 57.230 1.00 48.04 H new ATOM 0 HB2 LEU A 20 62.426 28.786 58.166 1.00 48.71 H new ATOM 0 HB3 LEU A 20 61.498 28.169 57.074 1.00 48.71 H new ATOM 0 HG LEU A 20 61.860 26.009 58.034 1.00 43.63 H new ATOM 0 HD11 LEU A 20 62.925 25.885 60.124 1.00 39.59 H new ATOM 0 HD12 LEU A 20 63.938 26.443 59.042 1.00 39.59 H new ATOM 0 HD13 LEU A 20 63.240 27.436 60.060 1.00 39.59 H new ATOM 0 HD21 LEU A 20 60.458 26.355 59.886 1.00 41.65 H new ATOM 0 HD22 LEU A 20 60.749 27.911 59.819 1.00 41.65 H new ATOM 0 HD23 LEU A 20 59.937 27.206 58.656 1.00 41.65 H new ATOM 149 N LEU A 21 62.559 26.622 54.829 1.00 34.81 N ATOM 150 CA LEU A 21 62.341 25.443 54.014 1.00 34.68 C ATOM 151 C LEU A 21 63.649 25.031 53.340 1.00 40.54 C ATOM 152 O LEU A 21 63.923 23.833 53.178 1.00 38.62 O ATOM 153 CB LEU A 21 61.259 25.720 52.971 1.00 34.15 C ATOM 154 CG LEU A 21 61.040 24.656 51.903 1.00 34.84 C ATOM 155 CD1 LEU A 21 60.771 23.285 52.526 1.00 39.46 C ATOM 156 CD2 LEU A 21 59.890 25.107 51.014 1.00 32.14 C ATOM 0 H LEU A 21 62.167 27.336 54.553 1.00 34.81 H new ATOM 0 HA LEU A 21 62.041 24.714 54.579 1.00 34.68 H new ATOM 0 HB2 LEU A 21 60.419 25.857 53.437 1.00 34.15 H new ATOM 0 HB3 LEU A 21 61.476 26.554 52.526 1.00 34.15 H new ATOM 0 HG LEU A 21 61.843 24.556 51.369 1.00 34.84 H new ATOM 0 HD11 LEU A 21 60.636 22.631 51.823 1.00 39.46 H new ATOM 0 HD12 LEU A 21 61.530 23.022 53.070 1.00 39.46 H new ATOM 0 HD13 LEU A 21 59.976 23.332 53.081 1.00 39.46 H new ATOM 0 HD21 LEU A 21 59.733 24.442 50.325 1.00 32.14 H new ATOM 0 HD22 LEU A 21 59.088 25.212 51.550 1.00 32.14 H new ATOM 0 HD23 LEU A 21 60.114 25.955 50.599 1.00 32.14 H new ATOM 157 N SER A 22 64.460 26.023 52.962 1.00 37.60 N ATOM 158 CA SER A 22 65.738 25.740 52.315 1.00 40.70 C ATOM 159 C SER A 22 66.654 25.036 53.310 1.00 39.20 C ATOM 160 O SER A 22 67.232 24.009 52.992 1.00 36.52 O ATOM 161 CB SER A 22 66.401 27.024 51.802 1.00 41.41 C ATOM 162 OG SER A 22 65.716 27.525 50.666 1.00 47.36 O ATOM 0 H SER A 22 64.288 26.859 53.071 1.00 37.60 H new ATOM 0 HA SER A 22 65.579 25.167 51.549 1.00 40.70 H new ATOM 0 HB2 SER A 22 66.405 27.694 52.504 1.00 41.41 H new ATOM 0 HB3 SER A 22 67.327 26.846 51.574 1.00 41.41 H new ATOM 0 HG SER A 22 65.032 27.946 50.914 1.00 47.36 H new ATOM 163 N LEU A 23 66.764 25.589 54.514 1.00 35.75 N ATOM 164 CA LEU A 23 67.583 24.992 55.550 1.00 39.12 C ATOM 165 C LEU A 23 67.120 23.554 55.771 1.00 40.82 C ATOM 166 O LEU A 23 67.933 22.628 55.793 1.00 36.73 O ATOM 167 CB LEU A 23 67.459 25.783 56.858 1.00 35.31 C ATOM 168 CG LEU A 23 68.218 25.235 58.078 1.00 39.92 C ATOM 169 CD1 LEU A 23 69.715 25.262 57.790 1.00 40.95 C ATOM 170 CD2 LEU A 23 67.910 26.068 59.327 1.00 35.53 C ATOM 0 H LEU A 23 66.367 26.315 54.748 1.00 35.75 H new ATOM 0 HA LEU A 23 68.513 25.006 55.273 1.00 39.12 H new ATOM 0 HB2 LEU A 23 67.766 26.688 56.693 1.00 35.31 H new ATOM 0 HB3 LEU A 23 66.518 25.840 57.088 1.00 35.31 H new ATOM 0 HG LEU A 23 67.932 24.323 58.244 1.00 39.92 H new ATOM 0 HD11 LEU A 23 70.199 24.917 58.557 1.00 40.95 H new ATOM 0 HD12 LEU A 23 69.905 24.712 57.014 1.00 40.95 H new ATOM 0 HD13 LEU A 23 69.995 26.174 57.615 1.00 40.95 H new ATOM 0 HD21 LEU A 23 68.397 25.708 60.085 1.00 35.53 H new ATOM 0 HD22 LEU A 23 68.180 26.988 59.177 1.00 35.53 H new ATOM 0 HD23 LEU A 23 66.958 26.037 59.510 1.00 35.53 H new ATOM 171 N ALA A 24 65.810 23.367 55.920 1.00 35.08 N ATOM 172 CA ALA A 24 65.265 22.031 56.141 1.00 31.99 C ATOM 173 C ALA A 24 65.708 21.063 55.070 1.00 30.63 C ATOM 174 O ALA A 24 65.945 19.895 55.356 1.00 30.72 O ATOM 175 CB ALA A 24 63.729 22.071 56.197 1.00 33.11 C ATOM 0 H ALA A 24 65.224 23.996 55.897 1.00 35.08 H new ATOM 0 HA ALA A 24 65.609 21.721 56.993 1.00 31.99 H new ATOM 0 HB1 ALA A 24 63.387 21.175 56.344 1.00 33.11 H new ATOM 0 HB2 ALA A 24 63.446 22.648 56.924 1.00 33.11 H new ATOM 0 HB3 ALA A 24 63.383 22.415 55.358 1.00 33.11 H new ATOM 176 N LEU A 25 65.828 21.540 53.833 1.00 33.66 N ATOM 177 CA LEU A 25 66.222 20.656 52.726 1.00 32.94 C ATOM 178 C LEU A 25 67.753 20.552 52.533 1.00 34.50 C ATOM 179 O LEU A 25 68.225 19.849 51.642 1.00 32.38 O ATOM 180 CB LEU A 25 65.567 21.140 51.415 1.00 36.65 C ATOM 181 CG LEU A 25 64.028 21.123 51.279 1.00 35.07 C ATOM 182 CD1 LEU A 25 63.610 21.787 49.984 1.00 35.58 C ATOM 183 CD2 LEU A 25 63.508 19.698 51.314 1.00 38.15 C ATOM 0 H LEU A 25 65.689 22.359 53.611 1.00 33.66 H new ATOM 0 HA LEU A 25 65.910 19.767 52.958 1.00 32.94 H new ATOM 0 HB2 LEU A 25 65.862 22.051 51.263 1.00 36.65 H new ATOM 0 HB3 LEU A 25 65.928 20.601 50.694 1.00 36.65 H new ATOM 0 HG LEU A 25 63.650 21.614 52.025 1.00 35.07 H new ATOM 0 HD11 LEU A 25 62.643 21.771 49.909 1.00 35.58 H new ATOM 0 HD12 LEU A 25 63.919 22.706 49.977 1.00 35.58 H new ATOM 0 HD13 LEU A 25 64.000 21.310 49.235 1.00 35.58 H new ATOM 0 HD21 LEU A 25 62.542 19.704 51.228 1.00 38.15 H new ATOM 0 HD22 LEU A 25 63.895 19.194 50.581 1.00 38.15 H new ATOM 0 HD23 LEU A 25 63.755 19.284 52.156 1.00 38.15 H new ATOM 184 N THR A 26 68.525 21.233 53.375 1.00 28.19 N ATOM 185 CA THR A 26 69.965 21.223 53.221 1.00 39.03 C ATOM 186 C THR A 26 70.722 20.057 53.849 1.00 35.64 C ATOM 187 O THR A 26 71.021 20.075 55.022 1.00 35.30 O ATOM 188 CB THR A 26 70.545 22.512 53.748 1.00 31.40 C ATOM 189 OG1 THR A 26 69.909 23.601 53.085 1.00 40.09 O ATOM 190 CG2 THR A 26 72.049 22.582 53.472 1.00 39.65 C ATOM 0 H THR A 26 68.233 21.701 54.035 1.00 28.19 H new ATOM 0 HA THR A 26 70.090 21.116 52.265 1.00 39.03 H new ATOM 0 HB THR A 26 70.399 22.555 54.706 1.00 31.40 H new ATOM 0 HG1 THR A 26 69.111 23.658 53.342 1.00 40.09 H new ATOM 0 HG21 THR A 26 72.403 23.416 53.818 1.00 39.65 H new ATOM 0 HG22 THR A 26 72.493 21.838 53.908 1.00 39.65 H new ATOM 0 HG23 THR A 26 72.205 22.536 52.516 1.00 39.65 H new ATOM 191 N HIS A 27 71.028 19.042 53.057 1.00 35.82 N ATOM 192 CA HIS A 27 71.784 17.910 53.583 1.00 33.67 C ATOM 193 C HIS A 27 73.204 18.380 53.834 1.00 32.96 C ATOM 194 O HIS A 27 73.698 19.274 53.150 1.00 37.40 O ATOM 195 CB HIS A 27 71.768 16.755 52.593 1.00 37.82 C ATOM 196 CG HIS A 27 72.436 15.516 53.104 1.00 46.98 C ATOM 197 ND1 HIS A 27 73.779 15.261 52.913 1.00 43.21 N ATOM 198 CD2 HIS A 27 71.953 14.476 53.828 1.00 44.05 C ATOM 199 CE1 HIS A 27 74.092 14.117 53.500 1.00 45.69 C ATOM 200 NE2 HIS A 27 73.003 13.621 54.064 1.00 37.13 N ATOM 0 H HIS A 27 70.814 18.985 52.226 1.00 35.82 H new ATOM 0 HA HIS A 27 71.386 17.591 54.408 1.00 33.67 H new ATOM 0 HB2 HIS A 27 70.848 16.547 52.366 1.00 37.82 H new ATOM 0 HB3 HIS A 27 72.206 17.035 51.774 1.00 37.82 H new ATOM 0 HD2 HIS A 27 71.075 14.362 54.112 1.00 44.05 H new ATOM 0 HE1 HIS A 27 74.936 13.727 53.514 1.00 45.69 H new ATOM 0 HE2 HIS A 27 72.959 12.884 54.506 1.00 37.13 H new ATOM 201 N ARG A 28 73.868 17.791 54.817 1.00 29.04 N ATOM 202 CA ARG A 28 75.225 18.190 55.158 1.00 39.01 C ATOM 203 C ARG A 28 76.223 18.195 53.988 1.00 35.95 C ATOM 204 O ARG A 28 77.107 19.050 53.934 1.00 47.47 O ATOM 205 CB ARG A 28 75.749 17.306 56.294 1.00 44.11 C ATOM 206 CG ARG A 28 75.913 15.843 55.919 1.00 48.99 C ATOM 207 CD ARG A 28 75.508 14.949 57.075 1.00 56.20 C ATOM 208 NE ARG A 28 76.534 14.910 58.107 1.00 63.68 N ATOM 209 CZ ARG A 28 77.840 14.936 57.863 1.00 78.29 C ATOM 210 NH1 ARG A 28 78.569 15.973 58.262 1.00 81.04 N ATOM 211 NH2 ARG A 28 78.418 13.931 57.210 1.00 80.52 N ATOM 0 H ARG A 28 73.550 17.155 55.301 1.00 29.04 H new ATOM 0 HA ARG A 28 75.161 19.117 55.435 1.00 39.01 H new ATOM 0 HB2 ARG A 28 76.606 17.652 56.590 1.00 44.11 H new ATOM 0 HB3 ARG A 28 75.141 17.370 57.047 1.00 44.11 H new ATOM 0 HG2 ARG A 28 75.370 15.640 55.141 1.00 48.99 H new ATOM 0 HG3 ARG A 28 76.835 15.668 55.675 1.00 48.99 H new ATOM 0 HD2 ARG A 28 74.676 15.270 57.457 1.00 56.20 H new ATOM 0 HD3 ARG A 28 75.343 14.051 56.748 1.00 56.20 H new ATOM 0 HE ARG A 28 76.279 14.867 58.927 1.00 63.68 H new ATOM 0 HH11 ARG A 28 78.196 16.627 58.678 1.00 81.04 H new ATOM 0 HH12 ARG A 28 79.414 15.990 58.104 1.00 81.04 H new ATOM 0 HH21 ARG A 28 77.946 13.263 56.945 1.00 80.52 H new ATOM 0 HH22 ARG A 28 79.263 13.950 57.053 1.00 80.52 H new ATOM 212 N SER A 29 76.085 17.250 53.068 1.00 37.89 N ATOM 213 CA SER A 29 76.984 17.176 51.911 1.00 45.92 C ATOM 214 C SER A 29 76.969 18.501 51.140 1.00 46.55 C ATOM 215 O SER A 29 78.017 19.119 50.898 1.00 47.04 O ATOM 216 CB SER A 29 76.552 16.041 50.986 1.00 34.78 C ATOM 217 OG SER A 29 75.276 16.294 50.447 1.00 51.67 O ATOM 0 H SER A 29 75.479 16.640 53.090 1.00 37.89 H new ATOM 0 HA SER A 29 77.884 17.006 52.229 1.00 45.92 H new ATOM 0 HB2 SER A 29 77.197 15.940 50.268 1.00 34.78 H new ATOM 0 HB3 SER A 29 76.540 15.205 51.477 1.00 34.78 H new ATOM 0 HG SER A 29 74.687 16.052 50.995 1.00 51.67 H new ATOM 218 N TYR A 30 75.768 18.925 50.758 1.00 46.45 N ATOM 219 CA TYR A 30 75.583 20.175 50.046 1.00 39.16 C ATOM 220 C TYR A 30 76.195 21.264 50.882 1.00 41.34 C ATOM 221 O TYR A 30 76.952 22.097 50.399 1.00 50.25 O ATOM 222 CB TYR A 30 74.093 20.470 49.869 1.00 41.21 C ATOM 223 CG TYR A 30 73.820 21.733 49.094 1.00 41.41 C ATOM 224 CD1 TYR A 30 73.635 21.697 47.711 1.00 39.01 C ATOM 225 CD2 TYR A 30 73.772 22.975 49.737 1.00 41.00 C ATOM 226 CE1 TYR A 30 73.405 22.866 46.985 1.00 42.66 C ATOM 227 CE2 TYR A 30 73.546 24.152 49.021 1.00 35.63 C ATOM 228 CZ TYR A 30 73.362 24.082 47.645 1.00 44.34 C ATOM 229 OH TYR A 30 73.132 25.230 46.929 1.00 52.26 O ATOM 0 H TYR A 30 75.040 18.493 50.906 1.00 46.45 H new ATOM 0 HA TYR A 30 75.996 20.123 49.170 1.00 39.16 H new ATOM 0 HB2 TYR A 30 73.674 19.723 49.414 1.00 41.21 H new ATOM 0 HB3 TYR A 30 73.678 20.539 50.743 1.00 41.21 H new ATOM 0 HD1 TYR A 30 73.666 20.881 47.266 1.00 39.01 H new ATOM 0 HD2 TYR A 30 73.893 23.017 50.658 1.00 41.00 H new ATOM 0 HE1 TYR A 30 73.281 22.829 46.064 1.00 42.66 H new ATOM 0 HE2 TYR A 30 73.519 24.972 49.459 1.00 35.63 H new ATOM 0 HH TYR A 30 73.131 25.889 47.449 1.00 52.26 H new ATOM 230 N ALA A 31 75.864 21.251 52.164 1.00 38.95 N ATOM 231 CA ALA A 31 76.351 22.266 53.077 1.00 31.44 C ATOM 232 C ALA A 31 77.876 22.425 53.061 1.00 39.12 C ATOM 233 O ALA A 31 78.382 23.544 52.985 1.00 44.42 O ATOM 234 CB ALA A 31 75.868 21.959 54.502 1.00 31.58 C ATOM 0 H ALA A 31 75.356 20.659 52.525 1.00 38.95 H new ATOM 0 HA ALA A 31 75.986 23.111 52.772 1.00 31.44 H new ATOM 0 HB1 ALA A 31 76.196 22.641 55.109 1.00 31.58 H new ATOM 0 HB2 ALA A 31 74.898 21.950 54.520 1.00 31.58 H new ATOM 0 HB3 ALA A 31 76.204 21.092 54.778 1.00 31.58 H new ATOM 235 N TYR A 32 78.604 21.315 53.159 1.00 47.31 N ATOM 236 CA TYR A 32 80.075 21.365 53.166 1.00 49.84 C ATOM 237 C TYR A 32 80.631 21.828 51.813 1.00 45.09 C ATOM 238 O TYR A 32 81.451 22.739 51.737 1.00 49.96 O ATOM 239 CB TYR A 32 80.644 19.986 53.520 1.00 49.79 C ATOM 240 CG TYR A 32 80.187 19.441 54.866 1.00 53.96 C ATOM 241 CD1 TYR A 32 80.033 20.284 55.978 1.00 51.13 C ATOM 242 CD2 TYR A 32 79.948 18.080 55.040 1.00 54.91 C ATOM 243 CE1 TYR A 32 79.655 19.782 57.224 1.00 45.55 C ATOM 244 CE2 TYR A 32 79.567 17.568 56.287 1.00 52.99 C ATOM 245 CZ TYR A 32 79.426 18.428 57.369 1.00 46.55 C ATOM 246 OH TYR A 32 79.064 17.925 58.596 1.00 55.37 O ATOM 0 H TYR A 32 78.272 20.524 53.222 1.00 47.31 H new ATOM 0 HA TYR A 32 80.347 22.011 53.837 1.00 49.84 H new ATOM 0 HB2 TYR A 32 80.391 19.357 52.826 1.00 49.79 H new ATOM 0 HB3 TYR A 32 81.613 20.038 53.517 1.00 49.79 H new ATOM 0 HD1 TYR A 32 80.186 21.196 55.882 1.00 51.13 H new ATOM 0 HD2 TYR A 32 80.043 17.502 54.317 1.00 54.91 H new ATOM 0 HE1 TYR A 32 79.558 20.354 57.951 1.00 45.55 H new ATOM 0 HE2 TYR A 32 79.409 16.657 56.390 1.00 52.99 H new ATOM 0 HH TYR A 32 79.753 17.712 59.026 1.00 55.37 H new ATOM 247 N GLU A 33 80.166 21.185 50.752 1.00 47.36 N ATOM 248 CA GLU A 33 80.573 21.510 49.398 1.00 49.87 C ATOM 249 C GLU A 33 80.379 22.982 49.052 1.00 56.58 C ATOM 250 O GLU A 33 81.075 23.511 48.189 1.00 57.24 O ATOM 251 CB GLU A 33 79.781 20.642 48.433 1.00 58.28 C ATOM 252 CG GLU A 33 79.828 21.060 46.986 1.00 69.24 C ATOM 253 CD GLU A 33 78.979 20.145 46.128 1.00 75.82 C ATOM 254 OE1 GLU A 33 79.283 18.930 46.083 1.00 75.98 O ATOM 255 OE2 GLU A 33 78.006 20.637 45.515 1.00 75.89 O ATOM 0 H GLU A 33 79.599 20.540 50.800 1.00 47.36 H new ATOM 0 HA GLU A 33 81.524 21.335 49.325 1.00 49.87 H new ATOM 0 HB2 GLU A 33 80.109 19.731 48.500 1.00 58.28 H new ATOM 0 HB3 GLU A 33 78.854 20.632 48.719 1.00 58.28 H new ATOM 0 HG2 GLU A 33 79.514 21.974 46.900 1.00 69.24 H new ATOM 0 HG3 GLU A 33 80.745 21.045 46.671 1.00 69.24 H new ATOM 256 N ASN A 34 79.448 23.659 49.716 1.00 50.96 N ATOM 257 CA ASN A 34 79.230 25.057 49.389 1.00 50.25 C ATOM 258 C ASN A 34 79.736 26.070 50.398 1.00 51.53 C ATOM 259 O ASN A 34 79.193 27.167 50.530 1.00 53.23 O ATOM 260 CB ASN A 34 77.755 25.308 49.061 1.00 51.78 C ATOM 261 CG ASN A 34 77.312 24.562 47.813 1.00 54.60 C ATOM 262 OD1 ASN A 34 76.890 23.411 47.877 1.00 61.71 O ATOM 263 ND2 ASN A 34 77.442 25.206 46.666 1.00 57.51 N ATOM 0 H ASN A 34 78.948 23.339 50.338 1.00 50.96 H new ATOM 0 HA ASN A 34 79.784 25.208 48.607 1.00 50.25 H new ATOM 0 HB2 ASN A 34 77.207 25.033 49.812 1.00 51.78 H new ATOM 0 HB3 ASN A 34 77.610 26.259 48.937 1.00 51.78 H new ATOM 0 HD21 ASN A 34 77.228 24.819 45.929 1.00 57.51 H new ATOM 0 HD22 ASN A 34 77.741 26.012 46.657 1.00 57.51 H new ATOM 264 N GLY A 35 80.784 25.703 51.122 1.00 51.98 N ATOM 265 CA GLY A 35 81.373 26.643 52.056 1.00 53.26 C ATOM 266 C GLY A 35 80.980 26.613 53.512 1.00 50.72 C ATOM 267 O GLY A 35 81.223 27.585 54.220 1.00 54.20 O ATOM 0 H GLY A 35 81.161 24.931 51.088 1.00 51.98 H new ATOM 0 HA2 GLY A 35 82.335 26.524 52.015 1.00 53.26 H new ATOM 0 HA3 GLY A 35 81.183 27.535 51.725 1.00 53.26 H new ATOM 268 N GLY A 36 80.387 25.516 53.969 1.00 50.93 N ATOM 269 CA GLY A 36 79.999 25.438 55.364 1.00 54.07 C ATOM 270 C GLY A 36 78.709 26.176 55.674 1.00 49.05 C ATOM 271 O GLY A 36 78.681 27.085 56.505 1.00 55.10 O ATOM 0 H GLY A 36 80.205 24.821 53.497 1.00 50.93 H new ATOM 0 HA2 GLY A 36 79.898 24.506 55.613 1.00 54.07 H new ATOM 0 HA3 GLY A 36 80.712 25.802 55.912 1.00 54.07 H new ATOM 272 N LEU A 37 77.646 25.784 54.980 1.00 46.42 N ATOM 273 CA LEU A 37 76.307 26.352 55.166 1.00 41.69 C ATOM 274 C LEU A 37 75.650 25.620 56.342 1.00 45.38 C ATOM 275 O LEU A 37 76.061 24.509 56.685 1.00 41.86 O ATOM 276 CB LEU A 37 75.453 26.083 53.923 1.00 38.56 C ATOM 277 CG LEU A 37 75.290 27.100 52.785 1.00 42.10 C ATOM 278 CD1 LEU A 37 76.546 27.896 52.603 1.00 37.92 C ATOM 279 CD2 LEU A 37 74.901 26.369 51.497 1.00 36.85 C ATOM 0 H LEU A 37 77.679 25.171 54.378 1.00 46.42 H new ATOM 0 HA LEU A 37 76.374 27.307 55.323 1.00 41.69 H new ATOM 0 HB2 LEU A 37 75.801 25.272 53.520 1.00 38.56 H new ATOM 0 HB3 LEU A 37 74.559 25.880 54.241 1.00 38.56 H new ATOM 0 HG LEU A 37 74.582 27.724 53.012 1.00 42.10 H new ATOM 0 HD11 LEU A 37 76.424 28.532 51.881 1.00 37.92 H new ATOM 0 HD12 LEU A 37 76.749 28.373 53.423 1.00 37.92 H new ATOM 0 HD13 LEU A 37 77.279 27.299 52.387 1.00 37.92 H new ATOM 0 HD21 LEU A 37 74.798 27.012 50.778 1.00 36.85 H new ATOM 0 HD22 LEU A 37 75.595 25.732 51.264 1.00 36.85 H new ATOM 0 HD23 LEU A 37 74.063 25.899 51.632 1.00 36.85 H new ATOM 280 N PRO A 38 74.629 26.228 56.978 1.00 44.54 N ATOM 281 CA PRO A 38 73.971 25.533 58.096 1.00 36.30 C ATOM 282 C PRO A 38 73.271 24.302 57.510 1.00 32.44 C ATOM 283 O PRO A 38 72.836 24.330 56.367 1.00 32.41 O ATOM 284 CB PRO A 38 72.964 26.565 58.603 1.00 40.49 C ATOM 285 CG PRO A 38 73.617 27.881 58.250 1.00 46.59 C ATOM 286 CD PRO A 38 74.154 27.621 56.861 1.00 39.59 C ATOM 0 HA PRO A 38 74.558 25.231 58.807 1.00 36.30 H new ATOM 0 HB2 PRO A 38 72.101 26.466 58.172 1.00 40.49 H new ATOM 0 HB3 PRO A 38 72.816 26.483 59.558 1.00 40.49 H new ATOM 0 HG2 PRO A 38 72.981 28.613 58.260 1.00 46.59 H new ATOM 0 HG3 PRO A 38 74.324 28.111 58.873 1.00 46.59 H new ATOM 0 HD2 PRO A 38 73.468 27.716 56.182 1.00 39.59 H new ATOM 0 HD3 PRO A 38 74.871 28.232 56.628 1.00 39.59 H new ATOM 287 N THR A 39 73.154 23.221 58.271 1.00 30.17 N ATOM 288 CA THR A 39 72.502 22.024 57.735 1.00 32.20 C ATOM 289 C THR A 39 71.145 21.771 58.369 1.00 29.62 C ATOM 290 O THR A 39 70.802 22.383 59.363 1.00 30.37 O ATOM 291 CB THR A 39 73.340 20.763 57.991 1.00 32.76 C ATOM 292 OG1 THR A 39 73.298 20.448 59.389 1.00 31.85 O ATOM 293 CG2 THR A 39 74.782 20.999 57.580 1.00 33.04 C ATOM 0 H THR A 39 73.436 23.155 59.081 1.00 30.17 H new ATOM 0 HA THR A 39 72.404 22.194 56.785 1.00 32.20 H new ATOM 0 HB THR A 39 72.977 20.030 57.470 1.00 32.76 H new ATOM 0 HG1 THR A 39 73.847 19.834 59.555 1.00 31.85 H new ATOM 0 HG21 THR A 39 75.301 20.197 57.746 1.00 33.04 H new ATOM 0 HG22 THR A 39 74.818 21.217 56.636 1.00 33.04 H new ATOM 0 HG23 THR A 39 75.149 21.734 58.095 1.00 33.04 H new ATOM 294 N ASN A 40 70.393 20.840 57.801 1.00 30.53 N ATOM 295 CA ASN A 40 69.084 20.492 58.341 1.00 28.63 C ATOM 296 C ASN A 40 69.168 19.562 59.560 1.00 33.60 C ATOM 297 O ASN A 40 68.146 19.087 60.036 1.00 32.15 O ATOM 298 CB ASN A 40 68.241 19.805 57.287 1.00 24.82 C ATOM 299 CG ASN A 40 68.795 18.438 56.891 1.00 37.34 C ATOM 300 OD1 ASN A 40 69.782 17.958 57.459 1.00 29.65 O ATOM 301 ND2 ASN A 40 68.152 17.805 55.914 1.00 30.81 N ATOM 0 H ASN A 40 70.621 20.396 57.101 1.00 30.53 H new ATOM 0 HA ASN A 40 68.680 21.329 58.619 1.00 28.63 H new ATOM 0 HB2 ASN A 40 67.336 19.699 57.620 1.00 24.82 H new ATOM 0 HB3 ASN A 40 68.190 20.370 56.500 1.00 24.82 H new ATOM 0 HD21 ASN A 40 68.420 17.030 55.654 1.00 30.81 H new ATOM 0 HD22 ASN A 40 67.468 18.171 55.542 1.00 30.81 H new ATOM 302 N GLU A 41 70.372 19.324 60.075 1.00 34.05 N ATOM 303 CA GLU A 41 70.548 18.414 61.209 1.00 29.70 C ATOM 304 C GLU A 41 69.881 18.806 62.525 1.00 28.95 C ATOM 305 O GLU A 41 69.360 17.935 63.216 1.00 34.19 O ATOM 306 CB GLU A 41 72.044 18.139 61.429 1.00 27.53 C ATOM 307 CG GLU A 41 72.638 17.356 60.247 1.00 40.98 C ATOM 308 CD GLU A 41 74.143 17.274 60.284 1.00 49.68 C ATOM 309 OE1 GLU A 41 74.801 18.326 60.112 1.00 47.63 O ATOM 310 OE2 GLU A 41 74.661 16.154 60.489 1.00 50.60 O ATOM 0 H GLU A 41 71.100 19.678 59.784 1.00 34.05 H new ATOM 0 HA GLU A 41 70.071 17.612 60.944 1.00 29.70 H new ATOM 0 HB2 GLU A 41 72.518 18.978 61.537 1.00 27.53 H new ATOM 0 HB3 GLU A 41 72.167 17.636 62.249 1.00 27.53 H new ATOM 0 HG2 GLU A 41 72.271 16.458 60.245 1.00 40.98 H new ATOM 0 HG3 GLU A 41 72.363 17.777 59.417 1.00 40.98 H new ATOM 311 N ARG A 42 69.885 20.094 62.868 1.00 29.73 N ATOM 312 CA ARG A 42 69.249 20.558 64.108 1.00 29.32 C ATOM 313 C ARG A 42 67.742 20.364 63.972 1.00 34.81 C ATOM 314 O ARG A 42 67.064 19.869 64.893 1.00 31.16 O ATOM 315 CB ARG A 42 69.587 22.031 64.363 1.00 34.63 C ATOM 316 CG ARG A 42 71.020 22.268 64.900 1.00 40.70 C ATOM 317 CD ARG A 42 71.401 23.748 64.785 1.00 43.65 C ATOM 318 NE ARG A 42 70.322 24.626 65.235 1.00 39.33 N ATOM 319 CZ ARG A 42 70.060 24.899 66.508 1.00 40.28 C ATOM 320 NH1 ARG A 42 70.806 24.372 67.470 1.00 32.35 N ATOM 321 NH2 ARG A 42 69.046 25.691 66.815 1.00 35.61 N ATOM 0 H ARG A 42 70.249 20.716 62.399 1.00 29.73 H new ATOM 0 HA ARG A 42 69.579 20.047 64.864 1.00 29.32 H new ATOM 0 HB2 ARG A 42 69.476 22.526 63.536 1.00 34.63 H new ATOM 0 HB3 ARG A 42 68.950 22.394 64.998 1.00 34.63 H new ATOM 0 HG2 ARG A 42 71.074 21.986 65.826 1.00 40.70 H new ATOM 0 HG3 ARG A 42 71.651 21.727 64.401 1.00 40.70 H new ATOM 0 HD2 ARG A 42 72.197 23.918 65.312 1.00 43.65 H new ATOM 0 HD3 ARG A 42 71.622 23.954 63.863 1.00 43.65 H new ATOM 0 HE ARG A 42 69.824 24.990 64.636 1.00 39.33 H new ATOM 0 HH11 ARG A 42 71.461 23.852 67.270 1.00 32.35 H new ATOM 0 HH12 ARG A 42 70.634 24.550 68.294 1.00 32.35 H new ATOM 0 HH21 ARG A 42 68.559 26.027 66.191 1.00 35.61 H new ATOM 0 HH22 ARG A 42 68.874 25.870 67.638 1.00 35.61 H new ATOM 322 N LEU A 43 67.239 20.723 62.796 1.00 26.86 N ATOM 323 CA LEU A 43 65.829 20.581 62.472 1.00 29.10 C ATOM 324 C LEU A 43 65.417 19.096 62.553 1.00 28.06 C ATOM 325 O LEU A 43 64.338 18.754 63.048 1.00 28.34 O ATOM 326 CB LEU A 43 65.579 21.145 61.059 1.00 25.21 C ATOM 327 CG LEU A 43 64.786 22.441 60.824 1.00 35.29 C ATOM 328 CD1 LEU A 43 64.525 23.193 62.121 1.00 32.40 C ATOM 329 CD2 LEU A 43 65.523 23.291 59.800 1.00 30.84 C ATOM 0 H LEU A 43 67.712 21.058 62.160 1.00 26.86 H new ATOM 0 HA LEU A 43 65.291 21.077 63.109 1.00 29.10 H new ATOM 0 HB2 LEU A 43 66.450 21.273 60.651 1.00 25.21 H new ATOM 0 HB3 LEU A 43 65.130 20.448 60.556 1.00 25.21 H new ATOM 0 HG LEU A 43 63.909 22.219 60.473 1.00 35.29 H new ATOM 0 HD11 LEU A 43 64.024 24.002 61.931 1.00 32.40 H new ATOM 0 HD12 LEU A 43 64.014 22.631 62.724 1.00 32.40 H new ATOM 0 HD13 LEU A 43 65.370 23.427 62.536 1.00 32.40 H new ATOM 0 HD21 LEU A 43 65.030 24.112 59.645 1.00 30.84 H new ATOM 0 HD22 LEU A 43 66.408 23.505 60.134 1.00 30.84 H new ATOM 0 HD23 LEU A 43 65.602 22.799 58.967 1.00 30.84 H new ATOM 330 N GLU A 44 66.282 18.214 62.061 1.00 26.59 N ATOM 331 CA GLU A 44 66.030 16.765 62.092 1.00 27.59 C ATOM 332 C GLU A 44 65.863 16.293 63.550 1.00 24.30 C ATOM 333 O GLU A 44 64.945 15.548 63.882 1.00 31.58 O ATOM 334 CB GLU A 44 67.224 16.028 61.456 1.00 31.78 C ATOM 335 CG GLU A 44 67.172 14.519 61.566 1.00 43.59 C ATOM 336 CD GLU A 44 68.556 13.890 61.516 1.00 56.22 C ATOM 337 OE1 GLU A 44 69.407 14.379 60.748 1.00 57.87 O ATOM 338 OE2 GLU A 44 68.793 12.904 62.238 1.00 62.51 O ATOM 0 H GLU A 44 67.031 18.433 61.700 1.00 26.59 H new ATOM 0 HA GLU A 44 65.219 16.571 61.597 1.00 27.59 H new ATOM 0 HB2 GLU A 44 67.274 16.270 60.518 1.00 31.78 H new ATOM 0 HB3 GLU A 44 68.041 16.342 61.874 1.00 31.78 H new ATOM 0 HG2 GLU A 44 66.736 14.272 62.397 1.00 43.59 H new ATOM 0 HG3 GLU A 44 66.630 14.162 60.845 1.00 43.59 H new ATOM 339 N PHE A 45 66.775 16.741 64.392 1.00 23.05 N ATOM 340 CA PHE A 45 66.809 16.437 65.826 1.00 27.52 C ATOM 341 C PHE A 45 65.493 16.871 66.459 1.00 28.15 C ATOM 342 O PHE A 45 64.882 16.148 67.252 1.00 28.11 O ATOM 343 CB PHE A 45 67.954 17.229 66.453 1.00 34.17 C ATOM 344 CG PHE A 45 68.165 16.984 67.919 1.00 31.66 C ATOM 345 CD1 PHE A 45 68.626 15.753 68.381 1.00 36.80 C ATOM 346 CD2 PHE A 45 67.974 18.014 68.834 1.00 38.20 C ATOM 347 CE1 PHE A 45 68.907 15.554 69.731 1.00 27.63 C ATOM 348 CE2 PHE A 45 68.252 17.826 70.186 1.00 32.37 C ATOM 349 CZ PHE A 45 68.718 16.592 70.630 1.00 30.45 C ATOM 0 H PHE A 45 67.421 17.251 64.142 1.00 23.05 H new ATOM 0 HA PHE A 45 66.938 15.486 65.969 1.00 27.52 H new ATOM 0 HB2 PHE A 45 68.774 17.015 65.981 1.00 34.17 H new ATOM 0 HB3 PHE A 45 67.788 18.175 66.317 1.00 34.17 H new ATOM 0 HD1 PHE A 45 68.748 15.054 67.780 1.00 36.80 H new ATOM 0 HD2 PHE A 45 67.657 18.837 68.540 1.00 38.20 H new ATOM 0 HE1 PHE A 45 69.220 14.730 70.027 1.00 27.63 H new ATOM 0 HE2 PHE A 45 68.127 18.522 70.790 1.00 32.37 H new ATOM 0 HZ PHE A 45 68.903 16.464 71.532 1.00 30.45 H new ATOM 350 N LEU A 46 65.057 18.071 66.108 1.00 28.17 N ATOM 351 CA LEU A 46 63.804 18.575 66.644 1.00 21.80 C ATOM 352 C LEU A 46 62.626 17.774 66.093 1.00 25.09 C ATOM 353 O LEU A 46 61.780 17.319 66.858 1.00 27.88 O ATOM 354 CB LEU A 46 63.613 20.042 66.289 1.00 29.62 C ATOM 355 CG LEU A 46 62.277 20.643 66.766 1.00 25.69 C ATOM 356 CD1 LEU A 46 62.206 20.596 68.301 1.00 25.59 C ATOM 357 CD2 LEU A 46 62.177 22.092 66.266 1.00 26.00 C ATOM 0 H LEU A 46 65.465 18.603 65.569 1.00 28.17 H new ATOM 0 HA LEU A 46 63.839 18.482 67.609 1.00 21.80 H new ATOM 0 HB2 LEU A 46 64.341 20.554 66.674 1.00 29.62 H new ATOM 0 HB3 LEU A 46 63.674 20.141 65.326 1.00 29.62 H new ATOM 0 HG LEU A 46 61.535 20.130 66.409 1.00 25.69 H new ATOM 0 HD11 LEU A 46 61.364 20.975 68.598 1.00 25.59 H new ATOM 0 HD12 LEU A 46 62.269 19.675 68.600 1.00 25.59 H new ATOM 0 HD13 LEU A 46 62.940 21.108 68.675 1.00 25.59 H new ATOM 0 HD21 LEU A 46 61.338 22.479 66.562 1.00 26.00 H new ATOM 0 HD22 LEU A 46 62.915 22.610 66.623 1.00 26.00 H new ATOM 0 HD23 LEU A 46 62.214 22.103 65.297 1.00 26.00 H new ATOM 358 N GLY A 47 62.596 17.584 64.775 1.00 22.32 N ATOM 359 CA GLY A 47 61.500 16.867 64.160 1.00 18.58 C ATOM 360 C GLY A 47 61.341 15.455 64.693 1.00 29.42 C ATOM 361 O GLY A 47 60.213 14.931 64.771 1.00 25.22 O ATOM 0 H GLY A 47 63.199 17.863 64.229 1.00 22.32 H new ATOM 0 HA2 GLY A 47 60.676 17.357 64.307 1.00 18.58 H new ATOM 0 HA3 GLY A 47 61.641 16.831 63.201 1.00 18.58 H new ATOM 362 N ASP A 48 62.468 14.843 65.070 1.00 28.05 N ATOM 363 CA ASP A 48 62.465 13.485 65.596 1.00 28.76 C ATOM 364 C ASP A 48 61.699 13.441 66.926 1.00 25.54 C ATOM 365 O ASP A 48 60.879 12.558 67.154 1.00 27.05 O ATOM 366 CB ASP A 48 63.902 12.988 65.797 1.00 31.21 C ATOM 367 CG ASP A 48 63.950 11.500 66.115 1.00 40.13 C ATOM 368 OD1 ASP A 48 63.895 10.700 65.173 1.00 52.53 O ATOM 369 OD2 ASP A 48 64.004 11.133 67.296 1.00 46.01 O ATOM 0 H ASP A 48 63.247 15.204 65.027 1.00 28.05 H new ATOM 0 HA ASP A 48 62.023 12.903 64.958 1.00 28.76 H new ATOM 0 HB2 ASP A 48 64.419 13.164 64.996 1.00 31.21 H new ATOM 0 HB3 ASP A 48 64.318 13.486 66.518 1.00 31.21 H new ATOM 370 N ALA A 49 61.956 14.402 67.798 1.00 28.43 N ATOM 371 CA ALA A 49 61.238 14.443 69.077 1.00 29.30 C ATOM 372 C ALA A 49 59.734 14.768 68.870 1.00 24.12 C ATOM 373 O ALA A 49 58.864 14.226 69.566 1.00 27.82 O ATOM 374 CB ALA A 49 61.883 15.470 69.993 1.00 25.20 C ATOM 0 H ALA A 49 62.529 15.032 67.680 1.00 28.43 H new ATOM 0 HA ALA A 49 61.294 13.566 69.488 1.00 29.30 H new ATOM 0 HB1 ALA A 49 61.407 15.495 70.838 1.00 25.20 H new ATOM 0 HB2 ALA A 49 62.808 15.227 70.151 1.00 25.20 H new ATOM 0 HB3 ALA A 49 61.846 16.345 69.575 1.00 25.20 H new ATOM 375 N VAL A 50 59.432 15.651 67.919 1.00 26.52 N ATOM 376 CA VAL A 50 58.034 16.022 67.620 1.00 23.84 C ATOM 377 C VAL A 50 57.280 14.790 67.086 1.00 27.95 C ATOM 378 O VAL A 50 56.175 14.474 67.534 1.00 32.80 O ATOM 379 CB VAL A 50 57.949 17.176 66.560 1.00 23.44 C ATOM 380 CG1 VAL A 50 56.481 17.404 66.119 1.00 28.58 C ATOM 381 CG2 VAL A 50 58.437 18.462 67.159 1.00 22.41 C ATOM 0 H VAL A 50 60.017 16.050 67.432 1.00 26.52 H new ATOM 0 HA VAL A 50 57.630 16.339 68.443 1.00 23.84 H new ATOM 0 HB VAL A 50 58.495 16.918 65.801 1.00 23.44 H new ATOM 0 HG11 VAL A 50 56.447 18.119 65.465 1.00 28.58 H new ATOM 0 HG12 VAL A 50 56.131 16.589 65.725 1.00 28.58 H new ATOM 0 HG13 VAL A 50 55.945 17.646 66.890 1.00 28.58 H new ATOM 0 HG21 VAL A 50 58.381 19.169 66.497 1.00 22.41 H new ATOM 0 HG22 VAL A 50 57.887 18.692 67.925 1.00 22.41 H new ATOM 0 HG23 VAL A 50 59.359 18.358 67.443 1.00 22.41 H new ATOM 382 N LEU A 51 57.883 14.101 66.120 1.00 28.28 N ATOM 383 CA LEU A 51 57.289 12.898 65.562 1.00 25.34 C ATOM 384 C LEU A 51 57.158 11.836 66.668 1.00 30.58 C ATOM 385 O LEU A 51 56.122 11.153 66.777 1.00 28.09 O ATOM 386 CB LEU A 51 58.164 12.325 64.433 1.00 23.88 C ATOM 387 CG LEU A 51 57.640 11.022 63.817 1.00 30.04 C ATOM 388 CD1 LEU A 51 56.334 11.304 63.133 1.00 29.97 C ATOM 389 CD2 LEU A 51 58.645 10.438 62.820 1.00 37.20 C ATOM 0 H LEU A 51 58.640 14.318 65.775 1.00 28.28 H new ATOM 0 HA LEU A 51 56.418 13.127 65.202 1.00 25.34 H new ATOM 0 HB2 LEU A 51 58.244 12.991 63.732 1.00 23.88 H new ATOM 0 HB3 LEU A 51 59.057 12.169 64.779 1.00 23.88 H new ATOM 0 HG LEU A 51 57.512 10.367 64.521 1.00 30.04 H new ATOM 0 HD11 LEU A 51 55.992 10.486 62.739 1.00 29.97 H new ATOM 0 HD12 LEU A 51 55.696 11.642 63.780 1.00 29.97 H new ATOM 0 HD13 LEU A 51 56.469 11.966 62.437 1.00 29.97 H new ATOM 0 HD21 LEU A 51 58.290 9.616 62.446 1.00 37.20 H new ATOM 0 HD22 LEU A 51 58.802 11.076 62.107 1.00 37.20 H new ATOM 0 HD23 LEU A 51 59.481 10.251 63.275 1.00 37.20 H new ATOM 390 N GLY A 52 58.204 11.703 67.481 1.00 26.30 N ATOM 391 CA GLY A 52 58.187 10.721 68.550 1.00 25.29 C ATOM 392 C GLY A 52 57.010 10.915 69.509 1.00 34.09 C ATOM 393 O GLY A 52 56.288 9.957 69.816 1.00 28.69 O ATOM 0 H GLY A 52 58.925 12.169 67.428 1.00 26.30 H new ATOM 0 HA2 GLY A 52 58.144 9.831 68.166 1.00 25.29 H new ATOM 0 HA3 GLY A 52 59.018 10.775 69.048 1.00 25.29 H new ATOM 394 N LEU A 53 56.793 12.147 69.972 1.00 28.27 N ATOM 395 CA LEU A 53 55.684 12.390 70.897 1.00 31.72 C ATOM 396 C LEU A 53 54.338 12.148 70.208 1.00 35.88 C ATOM 397 O LEU A 53 53.473 11.449 70.745 1.00 36.52 O ATOM 398 CB LEU A 53 55.716 13.817 71.454 1.00 28.15 C ATOM 399 CG LEU A 53 54.458 14.153 72.264 1.00 34.76 C ATOM 400 CD1 LEU A 53 54.356 13.225 73.480 1.00 31.21 C ATOM 401 CD2 LEU A 53 54.506 15.589 72.726 1.00 22.49 C ATOM 0 H LEU A 53 57.262 12.839 69.770 1.00 28.27 H new ATOM 0 HA LEU A 53 55.787 11.767 71.633 1.00 31.72 H new ATOM 0 HB2 LEU A 53 56.499 13.925 72.016 1.00 28.15 H new ATOM 0 HB3 LEU A 53 55.804 14.446 70.721 1.00 28.15 H new ATOM 0 HG LEU A 53 53.680 14.027 71.698 1.00 34.76 H new ATOM 0 HD11 LEU A 53 53.559 13.443 73.988 1.00 31.21 H new ATOM 0 HD12 LEU A 53 54.307 12.304 73.181 1.00 31.21 H new ATOM 0 HD13 LEU A 53 55.138 13.341 74.042 1.00 31.21 H new ATOM 0 HD21 LEU A 53 53.707 15.792 73.237 1.00 22.49 H new ATOM 0 HD22 LEU A 53 55.288 15.724 73.283 1.00 22.49 H new ATOM 0 HD23 LEU A 53 54.554 16.176 71.955 1.00 22.49 H new ATOM 402 N THR A 54 54.166 12.702 69.014 1.00 31.15 N ATOM 403 CA THR A 54 52.902 12.537 68.294 1.00 36.50 C ATOM 404 C THR A 54 52.510 11.072 68.087 1.00 37.13 C ATOM 405 O THR A 54 51.376 10.681 68.344 1.00 34.56 O ATOM 406 CB THR A 54 52.936 13.245 66.914 1.00 38.12 C ATOM 407 OG1 THR A 54 53.223 14.643 67.088 1.00 37.12 O ATOM 408 CG2 THR A 54 51.596 13.108 66.224 1.00 36.10 C ATOM 0 H THR A 54 54.758 13.172 68.605 1.00 31.15 H new ATOM 0 HA THR A 54 52.232 12.950 68.861 1.00 36.50 H new ATOM 0 HB THR A 54 53.626 12.830 66.373 1.00 38.12 H new ATOM 0 HG1 THR A 54 54.045 14.745 67.227 1.00 37.12 H new ATOM 0 HG21 THR A 54 51.628 13.554 65.363 1.00 36.10 H new ATOM 0 HG22 THR A 54 51.393 12.168 66.094 1.00 36.10 H new ATOM 0 HG23 THR A 54 50.906 13.514 66.772 1.00 36.10 H new ATOM 409 N ILE A 55 53.440 10.253 67.623 1.00 36.83 N ATOM 410 CA ILE A 55 53.122 8.849 67.404 1.00 34.16 C ATOM 411 C ILE A 55 52.902 8.124 68.739 1.00 41.37 C ATOM 412 O ILE A 55 52.070 7.222 68.833 1.00 38.96 O ATOM 413 CB ILE A 55 54.256 8.149 66.623 1.00 37.43 C ATOM 414 CG1 ILE A 55 54.371 8.754 65.214 1.00 43.77 C ATOM 415 CG2 ILE A 55 54.013 6.652 66.568 1.00 38.24 C ATOM 416 CD1 ILE A 55 53.033 8.862 64.464 1.00 39.92 C ATOM 0 H ILE A 55 54.247 10.482 67.431 1.00 36.83 H new ATOM 0 HA ILE A 55 52.304 8.810 66.884 1.00 34.16 H new ATOM 0 HB ILE A 55 55.098 8.293 67.082 1.00 37.43 H new ATOM 0 HG12 ILE A 55 54.764 9.638 65.284 1.00 43.77 H new ATOM 0 HG13 ILE A 55 54.982 8.213 64.689 1.00 43.77 H new ATOM 0 HG21 ILE A 55 54.731 6.225 66.075 1.00 38.24 H new ATOM 0 HG22 ILE A 55 53.983 6.295 67.470 1.00 38.24 H new ATOM 0 HG23 ILE A 55 53.169 6.477 66.124 1.00 38.24 H new ATOM 0 HD11 ILE A 55 53.183 9.250 63.588 1.00 39.92 H new ATOM 0 HD12 ILE A 55 52.646 7.978 64.363 1.00 39.92 H new ATOM 0 HD13 ILE A 55 52.425 9.426 64.967 1.00 39.92 H new ATOM 417 N THR A 56 53.642 8.538 69.769 1.00 35.98 N ATOM 418 CA THR A 56 53.536 7.920 71.080 1.00 34.55 C ATOM 419 C THR A 56 52.154 8.200 71.623 1.00 37.27 C ATOM 420 O THR A 56 51.474 7.293 72.102 1.00 38.64 O ATOM 421 CB THR A 56 54.610 8.480 72.071 1.00 32.07 C ATOM 422 OG1 THR A 56 55.917 8.078 71.643 1.00 28.83 O ATOM 423 CG2 THR A 56 54.376 7.945 73.484 1.00 27.39 C ATOM 0 H THR A 56 54.213 9.179 69.723 1.00 35.98 H new ATOM 0 HA THR A 56 53.689 6.966 70.991 1.00 34.55 H new ATOM 0 HB THR A 56 54.539 9.447 72.079 1.00 32.07 H new ATOM 0 HG1 THR A 56 56.158 8.553 70.993 1.00 28.83 H new ATOM 0 HG21 THR A 56 55.051 8.303 74.082 1.00 27.39 H new ATOM 0 HG22 THR A 56 53.496 8.215 73.791 1.00 27.39 H new ATOM 0 HG23 THR A 56 54.432 6.977 73.477 1.00 27.39 H new ATOM 424 N ASP A 57 51.757 9.469 71.529 1.00 34.17 N ATOM 425 CA ASP A 57 50.469 9.970 71.999 1.00 37.49 C ATOM 426 C ASP A 57 49.313 9.231 71.303 1.00 41.97 C ATOM 427 O ASP A 57 48.370 8.792 71.947 1.00 41.70 O ATOM 428 CB ASP A 57 50.401 11.484 71.714 1.00 41.55 C ATOM 429 CG ASP A 57 49.145 12.143 72.246 1.00 39.13 C ATOM 430 OD1 ASP A 57 48.069 11.523 72.194 1.00 59.21 O ATOM 431 OD2 ASP A 57 49.226 13.298 72.701 1.00 42.68 O ATOM 0 H ASP A 57 52.248 10.081 71.178 1.00 34.17 H new ATOM 0 HA ASP A 57 50.383 9.813 72.952 1.00 37.49 H new ATOM 0 HB2 ASP A 57 51.176 11.915 72.108 1.00 41.55 H new ATOM 0 HB3 ASP A 57 50.453 11.628 70.756 1.00 41.55 H new ATOM 432 N ALA A 58 49.400 9.088 69.988 1.00 41.01 N ATOM 433 CA ALA A 58 48.355 8.407 69.218 1.00 49.60 C ATOM 434 C ALA A 58 48.195 6.938 69.609 1.00 46.72 C ATOM 435 O ALA A 58 47.098 6.482 69.925 1.00 50.21 O ATOM 436 CB ALA A 58 48.651 8.510 67.713 1.00 39.63 C ATOM 0 H ALA A 58 50.058 9.378 69.516 1.00 41.01 H new ATOM 0 HA ALA A 58 47.520 8.855 69.424 1.00 49.60 H new ATOM 0 HB1 ALA A 58 47.954 8.056 67.214 1.00 39.63 H new ATOM 0 HB2 ALA A 58 48.680 9.444 67.452 1.00 39.63 H new ATOM 0 HB3 ALA A 58 49.507 8.095 67.522 1.00 39.63 H new ATOM 437 N LEU A 59 49.293 6.199 69.563 1.00 44.09 N ATOM 438 CA LEU A 59 49.264 4.794 69.922 1.00 40.93 C ATOM 439 C LEU A 59 48.730 4.635 71.348 1.00 44.24 C ATOM 440 O LEU A 59 47.968 3.711 71.623 1.00 43.13 O ATOM 441 CB LEU A 59 50.664 4.194 69.811 1.00 44.32 C ATOM 442 CG LEU A 59 51.269 4.133 68.409 1.00 42.48 C ATOM 443 CD1 LEU A 59 52.703 3.664 68.487 1.00 42.30 C ATOM 444 CD2 LEU A 59 50.448 3.180 67.546 1.00 57.00 C ATOM 0 H LEU A 59 50.065 6.494 69.326 1.00 44.09 H new ATOM 0 HA LEU A 59 48.676 4.322 69.311 1.00 40.93 H new ATOM 0 HB2 LEU A 59 51.261 4.708 70.377 1.00 44.32 H new ATOM 0 HB3 LEU A 59 50.638 3.293 70.170 1.00 44.32 H new ATOM 0 HG LEU A 59 51.254 5.017 68.011 1.00 42.48 H new ATOM 0 HD11 LEU A 59 53.081 3.628 67.594 1.00 42.30 H new ATOM 0 HD12 LEU A 59 53.217 4.282 69.030 1.00 42.30 H new ATOM 0 HD13 LEU A 59 52.734 2.781 68.887 1.00 42.30 H new ATOM 0 HD21 LEU A 59 50.830 3.139 66.655 1.00 57.00 H new ATOM 0 HD22 LEU A 59 50.458 2.295 67.942 1.00 57.00 H new ATOM 0 HD23 LEU A 59 49.534 3.499 67.491 1.00 57.00 H new ATOM 445 N PHE A 60 49.122 5.539 72.247 1.00 38.85 N ATOM 446 CA PHE A 60 48.664 5.500 73.639 1.00 37.50 C ATOM 447 C PHE A 60 47.143 5.506 73.689 1.00 43.61 C ATOM 448 O PHE A 60 46.539 4.715 74.409 1.00 41.85 O ATOM 449 CB PHE A 60 49.176 6.722 74.405 1.00 29.70 C ATOM 450 CG PHE A 60 48.787 6.760 75.867 1.00 26.48 C ATOM 451 CD1 PHE A 60 49.634 6.224 76.836 1.00 28.31 C ATOM 452 CD2 PHE A 60 47.608 7.377 76.277 1.00 31.33 C ATOM 453 CE1 PHE A 60 49.321 6.302 78.187 1.00 25.45 C ATOM 454 CE2 PHE A 60 47.277 7.462 77.623 1.00 26.90 C ATOM 455 CZ PHE A 60 48.139 6.920 78.588 1.00 36.47 C ATOM 0 H PHE A 60 49.657 6.188 72.070 1.00 38.85 H new ATOM 0 HA PHE A 60 49.009 4.690 74.046 1.00 37.50 H new ATOM 0 HB2 PHE A 60 50.143 6.748 74.339 1.00 29.70 H new ATOM 0 HB3 PHE A 60 48.841 7.523 73.973 1.00 29.70 H new ATOM 0 HD1 PHE A 60 50.423 5.807 76.573 1.00 28.31 H new ATOM 0 HD2 PHE A 60 47.034 7.737 75.640 1.00 31.33 H new ATOM 0 HE1 PHE A 60 49.898 5.943 78.821 1.00 25.45 H new ATOM 0 HE2 PHE A 60 46.487 7.877 77.884 1.00 26.90 H new ATOM 0 HZ PHE A 60 47.922 6.973 79.491 1.00 36.47 H new ATOM 456 N HIS A 61 46.531 6.414 72.937 1.00 41.47 N ATOM 457 CA HIS A 61 45.073 6.526 72.920 1.00 47.44 C ATOM 458 C HIS A 61 44.369 5.406 72.141 1.00 52.67 C ATOM 459 O HIS A 61 43.348 4.872 72.570 1.00 53.82 O ATOM 460 CB HIS A 61 44.663 7.869 72.326 1.00 44.75 C ATOM 461 CG HIS A 61 44.957 9.053 73.202 1.00 47.45 C ATOM 462 ND1 HIS A 61 44.024 9.598 74.059 1.00 42.09 N ATOM 463 CD2 HIS A 61 46.065 9.824 73.321 1.00 38.63 C ATOM 464 CE1 HIS A 61 44.542 10.654 74.663 1.00 42.32 C ATOM 465 NE2 HIS A 61 45.780 10.813 74.232 1.00 41.44 N ATOM 0 H HIS A 61 46.939 6.975 72.429 1.00 41.47 H new ATOM 0 HA HIS A 61 44.791 6.448 73.845 1.00 47.44 H new ATOM 0 HB2 HIS A 61 45.119 7.987 71.478 1.00 44.75 H new ATOM 0 HB3 HIS A 61 43.712 7.849 72.137 1.00 44.75 H new ATOM 0 HD2 HIS A 61 46.870 9.706 72.870 1.00 38.63 H new ATOM 0 HE1 HIS A 61 44.109 11.193 75.285 1.00 42.32 H new ATOM 0 HE2 HIS A 61 46.320 11.434 74.481 1.00 41.44 H new ATOM 466 N ARG A 62 44.934 5.029 71.008 1.00 54.15 N ATOM 467 CA ARG A 62 44.327 3.997 70.180 1.00 59.04 C ATOM 468 C ARG A 62 44.383 2.577 70.725 1.00 61.15 C ATOM 469 O ARG A 62 43.657 1.706 70.256 1.00 60.66 O ATOM 470 CB ARG A 62 44.966 4.000 68.797 1.00 59.02 C ATOM 471 CG ARG A 62 44.741 5.271 68.008 1.00 59.79 C ATOM 472 CD ARG A 62 45.229 5.093 66.585 1.00 67.48 C ATOM 473 NE ARG A 62 44.861 6.229 65.745 1.00 70.28 N ATOM 474 CZ ARG A 62 44.917 6.222 64.420 1.00 69.33 C ATOM 475 NH1 ARG A 62 45.324 5.135 63.792 1.00 59.12 N ATOM 476 NH2 ARG A 62 44.565 7.299 63.731 1.00 63.97 N ATOM 0 H ARG A 62 45.667 5.355 70.699 1.00 54.15 H new ATOM 0 HA ARG A 62 43.387 4.236 70.159 1.00 59.04 H new ATOM 0 HB2 ARG A 62 45.921 3.857 68.893 1.00 59.02 H new ATOM 0 HB3 ARG A 62 44.616 3.251 68.289 1.00 59.02 H new ATOM 0 HG2 ARG A 62 43.798 5.498 68.008 1.00 59.79 H new ATOM 0 HG3 ARG A 62 45.210 6.009 68.429 1.00 59.79 H new ATOM 0 HD2 ARG A 62 46.193 4.987 66.584 1.00 67.48 H new ATOM 0 HD3 ARG A 62 44.854 4.279 66.213 1.00 67.48 H new ATOM 0 HE ARG A 62 44.591 6.947 66.134 1.00 70.28 H new ATOM 0 HH11 ARG A 62 45.551 4.438 64.242 1.00 59.12 H new ATOM 0 HH12 ARG A 62 45.363 5.124 62.933 1.00 59.12 H new ATOM 0 HH21 ARG A 62 44.299 8.005 64.143 1.00 63.97 H new ATOM 0 HH22 ARG A 62 44.603 7.291 62.872 1.00 63.97 H new ATOM 477 N HIS A 63 45.265 2.333 71.685 1.00 55.78 N ATOM 478 CA HIS A 63 45.413 1.005 72.262 1.00 55.03 C ATOM 479 C HIS A 63 45.558 1.121 73.774 1.00 53.26 C ATOM 480 O HIS A 63 46.632 0.878 74.321 1.00 50.12 O ATOM 481 CB HIS A 63 46.650 0.316 71.694 1.00 56.99 C ATOM 482 CG HIS A 63 46.722 0.323 70.198 1.00 68.70 C ATOM 483 ND1 HIS A 63 47.128 -0.776 69.470 1.00 70.62 N ATOM 484 CD2 HIS A 63 46.484 1.300 69.293 1.00 70.45 C ATOM 485 CE1 HIS A 63 47.137 -0.475 68.185 1.00 67.29 C ATOM 486 NE2 HIS A 63 46.750 0.780 68.050 1.00 70.23 N ATOM 0 H HIS A 63 45.790 2.927 72.018 1.00 55.78 H new ATOM 0 HA HIS A 63 44.627 0.480 72.043 1.00 55.03 H new ATOM 0 HB2 HIS A 63 47.442 0.751 72.048 1.00 56.99 H new ATOM 0 HB3 HIS A 63 46.668 -0.603 72.005 1.00 56.99 H new ATOM 0 HD2 HIS A 63 46.194 2.164 69.478 1.00 70.45 H new ATOM 0 HE1 HIS A 63 47.375 -1.049 67.493 1.00 67.29 H new ATOM 0 HE2 HIS A 63 46.676 1.203 67.305 1.00 70.23 H new ATOM 487 N PRO A 64 44.466 1.478 74.464 1.00 52.79 N ATOM 488 CA PRO A 64 44.400 1.653 75.917 1.00 55.14 C ATOM 489 C PRO A 64 44.751 0.407 76.697 1.00 58.66 C ATOM 490 O PRO A 64 45.184 0.484 77.843 1.00 57.38 O ATOM 491 CB PRO A 64 42.943 2.038 76.167 1.00 55.03 C ATOM 492 CG PRO A 64 42.424 2.463 74.815 1.00 55.14 C ATOM 493 CD PRO A 64 43.118 1.538 73.878 1.00 54.75 C ATOM 0 HA PRO A 64 45.045 2.313 76.215 1.00 55.14 H new ATOM 0 HB2 PRO A 64 42.436 1.290 76.520 1.00 55.03 H new ATOM 0 HB3 PRO A 64 42.874 2.758 76.813 1.00 55.03 H new ATOM 0 HG2 PRO A 64 41.460 2.374 74.757 1.00 55.14 H new ATOM 0 HG3 PRO A 64 42.636 3.390 74.625 1.00 55.14 H new ATOM 0 HD2 PRO A 64 42.695 0.666 73.847 1.00 54.75 H new ATOM 0 HD3 PRO A 64 43.130 1.880 72.970 1.00 54.75 H new ATOM 494 N ASP A 65 44.564 -0.745 76.073 1.00 59.25 N ATOM 495 CA ASP A 65 44.813 -1.994 76.758 1.00 62.96 C ATOM 496 C ASP A 65 46.150 -2.640 76.491 1.00 59.74 C ATOM 497 O ASP A 65 46.428 -3.710 77.027 1.00 64.96 O ATOM 498 CB ASP A 65 43.692 -2.979 76.435 1.00 73.86 C ATOM 499 CG ASP A 65 42.317 -2.409 76.743 1.00 82.96 C ATOM 500 OD1 ASP A 65 42.079 -2.013 77.908 1.00 84.67 O ATOM 501 OD2 ASP A 65 41.478 -2.354 75.816 1.00 90.27 O ATOM 0 H ASP A 65 44.296 -0.823 75.260 1.00 59.25 H new ATOM 0 HA ASP A 65 44.835 -1.765 77.700 1.00 62.96 H new ATOM 0 HB2 ASP A 65 43.737 -3.221 75.497 1.00 73.86 H new ATOM 0 HB3 ASP A 65 43.824 -3.794 76.944 1.00 73.86 H new ATOM 502 N ARG A 66 46.982 -2.006 75.673 1.00 52.49 N ATOM 503 CA ARG A 66 48.294 -2.565 75.379 1.00 51.72 C ATOM 504 C ARG A 66 49.391 -2.022 76.297 1.00 50.30 C ATOM 505 O ARG A 66 49.373 -0.855 76.681 1.00 49.24 O ATOM 506 CB ARG A 66 48.630 -2.338 73.906 1.00 60.97 C ATOM 507 CG ARG A 66 47.968 -3.369 72.979 1.00 66.88 C ATOM 508 CD ARG A 66 47.613 -2.771 71.631 1.00 76.64 C ATOM 509 NE ARG A 66 47.730 -3.724 70.532 1.00 82.20 N ATOM 510 CZ ARG A 66 48.833 -4.415 70.260 1.00 87.11 C ATOM 511 NH1 ARG A 66 49.913 -4.267 71.015 1.00 92.81 N ATOM 512 NH2 ARG A 66 48.867 -5.229 69.215 1.00 85.18 N ATOM 0 H ARG A 66 46.809 -1.260 75.282 1.00 52.49 H new ATOM 0 HA ARG A 66 48.255 -3.518 75.553 1.00 51.72 H new ATOM 0 HB2 ARG A 66 48.346 -1.447 73.647 1.00 60.97 H new ATOM 0 HB3 ARG A 66 49.592 -2.374 73.789 1.00 60.97 H new ATOM 0 HG2 ARG A 66 48.568 -4.121 72.851 1.00 66.88 H new ATOM 0 HG3 ARG A 66 47.166 -3.715 73.401 1.00 66.88 H new ATOM 0 HD2 ARG A 66 46.705 -2.432 71.663 1.00 76.64 H new ATOM 0 HD3 ARG A 66 48.192 -2.013 71.457 1.00 76.64 H new ATOM 0 HE ARG A 66 47.043 -3.846 70.029 1.00 82.20 H new ATOM 0 HH11 ARG A 66 49.901 -3.724 71.681 1.00 92.81 H new ATOM 0 HH12 ARG A 66 50.626 -4.714 70.838 1.00 92.81 H new ATOM 0 HH21 ARG A 66 48.175 -5.311 68.711 1.00 85.18 H new ATOM 0 HH22 ARG A 66 49.581 -5.675 69.041 1.00 85.18 H new ATOM 513 N SER A 67 50.333 -2.894 76.649 1.00 46.58 N ATOM 514 CA SER A 67 51.433 -2.570 77.552 1.00 44.64 C ATOM 515 C SER A 67 52.489 -1.639 76.970 1.00 41.13 C ATOM 516 O SER A 67 52.619 -1.505 75.754 1.00 41.35 O ATOM 517 CB SER A 67 52.124 -3.862 77.999 1.00 43.83 C ATOM 518 OG SER A 67 52.928 -4.389 76.946 1.00 48.42 O ATOM 0 H SER A 67 50.350 -3.705 76.364 1.00 46.58 H new ATOM 0 HA SER A 67 51.025 -2.095 78.293 1.00 44.64 H new ATOM 0 HB2 SER A 67 52.675 -3.687 78.778 1.00 43.83 H new ATOM 0 HB3 SER A 67 51.458 -4.516 78.263 1.00 43.83 H new ATOM 0 HG SER A 67 53.302 -5.095 77.205 1.00 48.42 H new ATOM 519 N GLU A 68 53.271 -1.023 77.849 1.00 34.52 N ATOM 520 CA GLU A 68 54.318 -0.136 77.388 1.00 38.96 C ATOM 521 C GLU A 68 55.135 -0.844 76.318 1.00 43.70 C ATOM 522 O GLU A 68 55.331 -0.313 75.225 1.00 43.60 O ATOM 523 CB GLU A 68 55.224 0.279 78.546 1.00 37.91 C ATOM 524 CG GLU A 68 56.700 0.364 78.167 1.00 57.02 C ATOM 525 CD GLU A 68 57.535 1.114 79.188 1.00 69.61 C ATOM 526 OE1 GLU A 68 57.386 0.852 80.405 1.00 74.40 O ATOM 527 OE2 GLU A 68 58.348 1.968 78.771 1.00 77.10 O ATOM 0 H GLU A 68 53.210 -1.106 78.703 1.00 34.52 H new ATOM 0 HA GLU A 68 53.914 0.664 77.018 1.00 38.96 H new ATOM 0 HB2 GLU A 68 54.934 1.142 78.881 1.00 37.91 H new ATOM 0 HB3 GLU A 68 55.120 -0.356 79.272 1.00 37.91 H new ATOM 0 HG2 GLU A 68 57.054 -0.533 78.064 1.00 57.02 H new ATOM 0 HG3 GLU A 68 56.782 0.802 77.305 1.00 57.02 H new ATOM 528 N GLY A 69 55.598 -2.052 76.641 1.00 47.21 N ATOM 529 CA GLY A 69 56.405 -2.832 75.719 1.00 42.19 C ATOM 530 C GLY A 69 55.774 -2.965 74.355 1.00 44.26 C ATOM 531 O GLY A 69 56.431 -2.770 73.334 1.00 51.75 O ATOM 0 H GLY A 69 55.452 -2.436 77.397 1.00 47.21 H new ATOM 0 HA2 GLY A 69 57.277 -2.416 75.628 1.00 42.19 H new ATOM 0 HA3 GLY A 69 56.550 -3.716 76.091 1.00 42.19 H new ATOM 532 N ASP A 70 54.496 -3.309 74.329 1.00 43.57 N ATOM 533 CA ASP A 70 53.798 -3.445 73.063 1.00 49.85 C ATOM 534 C ASP A 70 53.747 -2.089 72.370 1.00 49.20 C ATOM 535 O ASP A 70 54.000 -1.988 71.168 1.00 55.89 O ATOM 536 CB ASP A 70 52.374 -3.972 73.276 1.00 58.28 C ATOM 537 CG ASP A 70 52.326 -5.487 73.470 1.00 69.91 C ATOM 538 OD1 ASP A 70 53.404 -6.122 73.524 1.00 74.28 O ATOM 539 OD2 ASP A 70 51.208 -6.044 73.554 1.00 75.10 O ATOM 0 H ASP A 70 54.018 -3.467 75.027 1.00 43.57 H new ATOM 0 HA ASP A 70 54.277 -4.082 72.510 1.00 49.85 H new ATOM 0 HB2 ASP A 70 51.986 -3.538 74.052 1.00 58.28 H new ATOM 0 HB3 ASP A 70 51.827 -3.730 72.513 1.00 58.28 H new ATOM 540 N LEU A 71 53.416 -1.050 73.133 1.00 42.59 N ATOM 541 CA LEU A 71 53.349 0.283 72.582 1.00 39.86 C ATOM 542 C LEU A 71 54.710 0.625 71.967 1.00 41.35 C ATOM 543 O LEU A 71 54.773 1.154 70.866 1.00 37.74 O ATOM 544 CB LEU A 71 52.961 1.283 73.666 1.00 34.13 C ATOM 545 CG LEU A 71 51.493 1.240 74.104 1.00 37.94 C ATOM 546 CD1 LEU A 71 51.218 2.335 75.139 1.00 32.65 C ATOM 547 CD2 LEU A 71 50.596 1.443 72.889 1.00 39.64 C ATOM 0 H LEU A 71 53.228 -1.104 73.971 1.00 42.59 H new ATOM 0 HA LEU A 71 52.669 0.327 71.891 1.00 39.86 H new ATOM 0 HB2 LEU A 71 53.520 1.127 74.444 1.00 34.13 H new ATOM 0 HB3 LEU A 71 53.162 2.177 73.347 1.00 34.13 H new ATOM 0 HG LEU A 71 51.306 0.377 74.505 1.00 37.94 H new ATOM 0 HD11 LEU A 71 50.287 2.299 75.409 1.00 32.65 H new ATOM 0 HD12 LEU A 71 51.785 2.198 75.914 1.00 32.65 H new ATOM 0 HD13 LEU A 71 51.408 3.203 74.750 1.00 32.65 H new ATOM 0 HD21 LEU A 71 49.666 1.416 73.165 1.00 39.64 H new ATOM 0 HD22 LEU A 71 50.788 2.304 72.485 1.00 39.64 H new ATOM 0 HD23 LEU A 71 50.762 0.739 72.243 1.00 39.64 H new ATOM 548 N ALA A 72 55.797 0.302 72.660 1.00 38.69 N ATOM 549 CA ALA A 72 57.120 0.585 72.122 1.00 43.45 C ATOM 550 C ALA A 72 57.332 -0.167 70.805 1.00 52.97 C ATOM 551 O ALA A 72 57.994 0.328 69.890 1.00 49.33 O ATOM 552 CB ALA A 72 58.185 0.191 73.114 1.00 43.62 C ATOM 0 H ALA A 72 55.791 -0.076 73.432 1.00 38.69 H new ATOM 0 HA ALA A 72 57.184 1.538 71.954 1.00 43.45 H new ATOM 0 HB1 ALA A 72 59.060 0.385 72.743 1.00 43.62 H new ATOM 0 HB2 ALA A 72 58.064 0.693 73.935 1.00 43.62 H new ATOM 0 HB3 ALA A 72 58.117 -0.758 73.302 1.00 43.62 H new ATOM 553 N LYS A 73 56.768 -1.366 70.710 1.00 57.99 N ATOM 554 CA LYS A 73 56.909 -2.155 69.488 1.00 60.10 C ATOM 555 C LYS A 73 56.063 -1.556 68.357 1.00 56.91 C ATOM 556 O LYS A 73 56.526 -1.455 67.215 1.00 57.68 O ATOM 557 CB LYS A 73 56.522 -3.619 69.747 1.00 60.60 C ATOM 558 CG LYS A 73 57.583 -4.594 69.278 1.00 65.00 C ATOM 559 CD LYS A 73 57.378 -6.007 69.817 1.00 74.13 C ATOM 560 CE LYS A 73 57.580 -6.089 71.323 1.00 74.24 C ATOM 561 NZ LYS A 73 56.551 -6.935 71.984 1.00 79.91 N ATOM 0 H LYS A 73 56.305 -1.738 71.332 1.00 57.99 H new ATOM 0 HA LYS A 73 57.838 -2.132 69.212 1.00 60.10 H new ATOM 0 HB2 LYS A 73 56.368 -3.746 70.696 1.00 60.60 H new ATOM 0 HB3 LYS A 73 55.686 -3.814 69.295 1.00 60.60 H new ATOM 0 HG2 LYS A 73 57.584 -4.621 68.308 1.00 65.00 H new ATOM 0 HG3 LYS A 73 58.455 -4.272 69.554 1.00 65.00 H new ATOM 0 HD2 LYS A 73 56.482 -6.308 69.597 1.00 74.13 H new ATOM 0 HD3 LYS A 73 57.996 -6.611 69.377 1.00 74.13 H new ATOM 0 HE2 LYS A 73 58.461 -6.449 71.510 1.00 74.24 H new ATOM 0 HE3 LYS A 73 57.553 -5.196 71.700 1.00 74.24 H new ATOM 0 HZ1 LYS A 73 56.703 -6.958 72.861 1.00 79.91 H new ATOM 0 HZ2 LYS A 73 55.743 -6.593 71.832 1.00 79.91 H new ATOM 0 HZ3 LYS A 73 56.590 -7.761 71.655 1.00 79.91 H new ATOM 562 N LEU A 74 54.835 -1.152 68.672 1.00 52.34 N ATOM 563 CA LEU A 74 53.964 -0.536 67.671 1.00 56.87 C ATOM 564 C LEU A 74 54.549 0.782 67.146 1.00 60.21 C ATOM 565 O LEU A 74 54.369 1.126 65.980 1.00 63.88 O ATOM 566 CB LEU A 74 52.586 -0.247 68.261 1.00 59.37 C ATOM 567 CG LEU A 74 51.509 -1.335 68.252 1.00 66.91 C ATOM 568 CD1 LEU A 74 52.019 -2.581 68.951 1.00 73.54 C ATOM 569 CD2 LEU A 74 50.260 -0.801 68.941 1.00 61.45 C ATOM 0 H LEU A 74 54.487 -1.224 69.455 1.00 52.34 H new ATOM 0 HA LEU A 74 53.890 -1.167 66.938 1.00 56.87 H new ATOM 0 HB2 LEU A 74 52.717 0.022 69.184 1.00 59.37 H new ATOM 0 HB3 LEU A 74 52.225 0.521 67.790 1.00 59.37 H new ATOM 0 HG LEU A 74 51.290 -1.574 67.338 1.00 66.91 H new ATOM 0 HD11 LEU A 74 51.330 -3.264 68.940 1.00 73.54 H new ATOM 0 HD12 LEU A 74 52.807 -2.910 68.491 1.00 73.54 H new ATOM 0 HD13 LEU A 74 52.247 -2.367 69.869 1.00 73.54 H new ATOM 0 HD21 LEU A 74 49.572 -1.485 68.940 1.00 61.45 H new ATOM 0 HD22 LEU A 74 50.473 -0.559 69.856 1.00 61.45 H new ATOM 0 HD23 LEU A 74 49.938 -0.018 68.467 1.00 61.45 H new ATOM 570 N ARG A 75 55.233 1.528 68.008 1.00 55.11 N ATOM 571 CA ARG A 75 55.814 2.794 67.591 1.00 52.13 C ATOM 572 C ARG A 75 56.968 2.563 66.622 1.00 52.16 C ATOM 573 O ARG A 75 57.065 3.218 65.584 1.00 50.50 O ATOM 574 CB ARG A 75 56.301 3.590 68.811 1.00 46.00 C ATOM 575 CG ARG A 75 56.933 4.945 68.458 1.00 41.12 C ATOM 576 CD ARG A 75 57.276 5.737 69.706 1.00 35.50 C ATOM 577 NE ARG A 75 58.295 5.054 70.496 1.00 35.02 N ATOM 578 CZ ARG A 75 58.623 5.366 71.747 1.00 39.03 C ATOM 579 NH1 ARG A 75 57.999 6.364 72.380 1.00 35.40 N ATOM 580 NH2 ARG A 75 59.588 4.681 72.366 1.00 30.34 N ATOM 0 H ARG A 75 55.370 1.320 68.831 1.00 55.11 H new ATOM 0 HA ARG A 75 55.127 3.307 67.137 1.00 52.13 H new ATOM 0 HB2 ARG A 75 55.552 3.738 69.409 1.00 46.00 H new ATOM 0 HB3 ARG A 75 56.950 3.057 69.296 1.00 46.00 H new ATOM 0 HG2 ARG A 75 57.736 4.802 67.932 1.00 41.12 H new ATOM 0 HG3 ARG A 75 56.320 5.456 67.907 1.00 41.12 H new ATOM 0 HD2 ARG A 75 57.593 6.619 69.456 1.00 35.50 H new ATOM 0 HD3 ARG A 75 56.478 5.864 70.242 1.00 35.50 H new ATOM 0 HE ARG A 75 58.715 4.401 70.125 1.00 35.02 H new ATOM 0 HH11 ARG A 75 57.382 6.808 71.979 1.00 35.40 H new ATOM 0 HH12 ARG A 75 58.215 6.562 73.189 1.00 35.40 H new ATOM 0 HH21 ARG A 75 59.993 4.043 71.956 1.00 30.34 H new ATOM 0 HH22 ARG A 75 59.804 4.878 73.175 1.00 30.34 H new ATOM 581 N ALA A 76 57.841 1.627 66.971 1.00 53.36 N ATOM 582 CA ALA A 76 58.994 1.306 66.145 1.00 58.84 C ATOM 583 C ALA A 76 58.597 0.945 64.715 1.00 61.43 C ATOM 584 O ALA A 76 59.399 1.063 63.785 1.00 64.81 O ATOM 585 CB ALA A 76 59.768 0.164 66.773 1.00 59.98 C ATOM 0 H ALA A 76 57.781 1.161 67.692 1.00 53.36 H new ATOM 0 HA ALA A 76 59.552 2.098 66.098 1.00 58.84 H new ATOM 0 HB1 ALA A 76 60.537 -0.049 66.221 1.00 59.98 H new ATOM 0 HB2 ALA A 76 60.068 0.424 67.658 1.00 59.98 H new ATOM 0 HB3 ALA A 76 59.195 -0.616 66.843 1.00 59.98 H new ATOM 586 N SER A 77 57.356 0.516 64.538 1.00 59.50 N ATOM 587 CA SER A 77 56.875 0.137 63.218 1.00 65.42 C ATOM 588 C SER A 77 56.678 1.378 62.373 1.00 63.57 C ATOM 589 O SER A 77 57.039 1.422 61.196 1.00 66.61 O ATOM 590 CB SER A 77 55.530 -0.581 63.334 1.00 65.97 C ATOM 591 OG SER A 77 55.344 -1.095 64.637 1.00 79.90 O ATOM 0 H SER A 77 56.776 0.437 65.168 1.00 59.50 H new ATOM 0 HA SER A 77 57.529 -0.451 62.809 1.00 65.42 H new ATOM 0 HB2 SER A 77 54.811 0.034 63.119 1.00 65.97 H new ATOM 0 HB3 SER A 77 55.488 -1.303 62.688 1.00 65.97 H new ATOM 0 HG SER A 77 54.601 -1.484 64.682 1.00 79.90 H new ATOM 592 N VAL A 78 56.096 2.383 63.009 1.00 62.36 N ATOM 593 CA VAL A 78 55.775 3.640 62.374 1.00 56.94 C ATOM 594 C VAL A 78 56.914 4.626 62.170 1.00 55.01 C ATOM 595 O VAL A 78 56.886 5.379 61.207 1.00 57.37 O ATOM 596 CB VAL A 78 54.667 4.335 63.156 1.00 58.79 C ATOM 597 CG1 VAL A 78 54.238 5.606 62.451 1.00 61.36 C ATOM 598 CG2 VAL A 78 53.497 3.386 63.322 1.00 63.94 C ATOM 0 H VAL A 78 55.874 2.349 63.839 1.00 62.36 H new ATOM 0 HA VAL A 78 55.507 3.383 61.478 1.00 56.94 H new ATOM 0 HB VAL A 78 54.998 4.581 64.034 1.00 58.79 H new ATOM 0 HG11 VAL A 78 53.533 6.036 62.960 1.00 61.36 H new ATOM 0 HG12 VAL A 78 54.996 6.207 62.377 1.00 61.36 H new ATOM 0 HG13 VAL A 78 53.910 5.389 61.564 1.00 61.36 H new ATOM 0 HG21 VAL A 78 52.791 3.827 63.820 1.00 63.94 H new ATOM 0 HG22 VAL A 78 53.164 3.127 62.449 1.00 63.94 H new ATOM 0 HG23 VAL A 78 53.787 2.596 63.804 1.00 63.94 H new ATOM 599 N VAL A 79 57.931 4.630 63.027 1.00 52.41 N ATOM 600 CA VAL A 79 58.988 5.623 62.838 1.00 50.89 C ATOM 601 C VAL A 79 60.387 5.167 62.433 1.00 53.71 C ATOM 602 O VAL A 79 61.341 5.949 62.500 1.00 55.94 O ATOM 603 CB VAL A 79 59.114 6.519 64.087 1.00 51.81 C ATOM 604 CG1 VAL A 79 57.767 7.148 64.410 1.00 44.10 C ATOM 605 CG2 VAL A 79 59.613 5.704 65.266 1.00 49.64 C ATOM 0 H VAL A 79 58.029 4.095 63.694 1.00 52.41 H new ATOM 0 HA VAL A 79 58.665 6.087 62.050 1.00 50.89 H new ATOM 0 HB VAL A 79 59.754 7.225 63.907 1.00 51.81 H new ATOM 0 HG11 VAL A 79 57.852 7.710 65.196 1.00 44.10 H new ATOM 0 HG12 VAL A 79 57.472 7.686 63.659 1.00 44.10 H new ATOM 0 HG13 VAL A 79 57.116 6.449 64.582 1.00 44.10 H new ATOM 0 HG21 VAL A 79 59.689 6.276 66.046 1.00 49.64 H new ATOM 0 HG22 VAL A 79 58.987 4.986 65.451 1.00 49.64 H new ATOM 0 HG23 VAL A 79 60.482 5.328 65.055 1.00 49.64 H new ATOM 606 N ASN A 80 60.522 3.927 61.984 1.00 52.39 N ATOM 607 CA ASN A 80 61.829 3.422 61.569 1.00 53.38 C ATOM 608 C ASN A 80 62.310 4.104 60.277 1.00 50.12 C ATOM 609 O ASN A 80 61.503 4.652 59.518 1.00 46.48 O ATOM 610 CB ASN A 80 61.738 1.920 61.344 1.00 58.76 C ATOM 611 CG ASN A 80 60.882 1.577 60.157 1.00 60.26 C ATOM 612 OD1 ASN A 80 61.350 1.589 59.023 1.00 63.80 O ATOM 613 ND2 ASN A 80 59.610 1.300 60.405 1.00 67.23 N ATOM 0 H ASN A 80 59.877 3.363 61.911 1.00 52.39 H new ATOM 0 HA ASN A 80 62.469 3.620 62.271 1.00 53.38 H new ATOM 0 HB2 ASN A 80 62.629 1.559 61.214 1.00 58.76 H new ATOM 0 HB3 ASN A 80 61.374 1.497 62.137 1.00 58.76 H new ATOM 0 HD21 ASN A 80 59.075 1.119 59.756 1.00 67.23 H new ATOM 0 HD22 ASN A 80 59.319 1.302 61.214 1.00 67.23 H new ATOM 614 N THR A 81 63.620 4.067 60.033 1.00 50.42 N ATOM 615 CA THR A 81 64.189 4.675 58.828 1.00 52.22 C ATOM 616 C THR A 81 63.392 4.326 57.568 1.00 60.74 C ATOM 617 O THR A 81 63.015 5.218 56.805 1.00 61.11 O ATOM 618 CB THR A 81 65.644 4.246 58.617 1.00 52.85 C ATOM 619 OG1 THR A 81 66.417 4.582 59.775 1.00 61.09 O ATOM 620 CG2 THR A 81 66.238 4.960 57.417 1.00 57.85 C ATOM 0 H THR A 81 64.196 3.695 60.552 1.00 50.42 H new ATOM 0 HA THR A 81 64.146 5.633 58.971 1.00 52.22 H new ATOM 0 HB THR A 81 65.662 3.288 58.466 1.00 52.85 H new ATOM 0 HG1 THR A 81 67.214 4.345 59.658 1.00 61.09 H new ATOM 0 HG21 THR A 81 67.158 4.679 57.296 1.00 57.85 H new ATOM 0 HG22 THR A 81 65.726 4.740 56.623 1.00 57.85 H new ATOM 0 HG23 THR A 81 66.210 5.918 57.564 1.00 57.85 H new ATOM 621 N GLN A 82 63.125 3.034 57.359 1.00 64.84 N ATOM 622 CA GLN A 82 62.364 2.575 56.191 1.00 66.24 C ATOM 623 C GLN A 82 61.001 3.229 56.050 1.00 61.77 C ATOM 624 O GLN A 82 60.637 3.689 54.973 1.00 62.82 O ATOM 625 CB GLN A 82 62.155 1.051 56.222 1.00 71.49 C ATOM 626 CG GLN A 82 63.207 0.235 55.470 1.00 79.99 C ATOM 627 CD GLN A 82 63.420 0.699 54.027 1.00 84.06 C ATOM 628 OE1 GLN A 82 62.486 0.733 53.220 1.00 89.09 O ATOM 629 NE2 GLN A 82 64.659 1.053 53.700 1.00 82.69 N ATOM 0 H GLN A 82 63.378 2.403 57.886 1.00 64.84 H new ATOM 0 HA GLN A 82 62.906 2.835 55.430 1.00 66.24 H new ATOM 0 HB2 GLN A 82 62.141 0.760 57.147 1.00 71.49 H new ATOM 0 HB3 GLN A 82 61.283 0.851 55.848 1.00 71.49 H new ATOM 0 HG2 GLN A 82 64.050 0.288 55.947 1.00 79.99 H new ATOM 0 HG3 GLN A 82 62.941 -0.698 55.467 1.00 79.99 H new ATOM 0 HE21 GLN A 82 65.286 1.017 54.288 1.00 82.69 H new ATOM 0 HE22 GLN A 82 64.834 1.318 52.901 1.00 82.69 H new ATOM 630 N ALA A 83 60.241 3.252 57.136 1.00 58.71 N ATOM 631 CA ALA A 83 58.910 3.831 57.108 1.00 54.89 C ATOM 632 C ALA A 83 58.936 5.327 56.809 1.00 59.17 C ATOM 633 O ALA A 83 58.077 5.841 56.091 1.00 62.66 O ATOM 634 CB ALA A 83 58.212 3.569 58.431 1.00 54.07 C ATOM 0 H ALA A 83 60.479 2.937 57.900 1.00 58.71 H new ATOM 0 HA ALA A 83 58.418 3.407 56.388 1.00 54.89 H new ATOM 0 HB1 ALA A 83 57.323 3.957 58.410 1.00 54.07 H new ATOM 0 HB2 ALA A 83 58.144 2.613 58.577 1.00 54.07 H new ATOM 0 HB3 ALA A 83 58.723 3.970 59.152 1.00 54.07 H new ATOM 635 N LEU A 84 59.918 6.029 57.364 1.00 56.81 N ATOM 636 CA LEU A 84 60.037 7.465 57.138 1.00 55.25 C ATOM 637 C LEU A 84 60.362 7.773 55.678 1.00 55.21 C ATOM 638 O LEU A 84 59.740 8.634 55.052 1.00 50.93 O ATOM 639 CB LEU A 84 61.139 8.048 58.024 1.00 57.70 C ATOM 640 CG LEU A 84 60.742 8.825 59.282 1.00 56.90 C ATOM 641 CD1 LEU A 84 59.561 8.170 59.957 1.00 61.63 C ATOM 642 CD2 LEU A 84 61.943 8.890 60.221 1.00 48.26 C ATOM 0 H LEU A 84 60.524 5.694 57.874 1.00 56.81 H new ATOM 0 HA LEU A 84 59.183 7.868 57.360 1.00 55.25 H new ATOM 0 HB2 LEU A 84 61.712 7.315 58.300 1.00 57.70 H new ATOM 0 HB3 LEU A 84 61.678 8.637 57.473 1.00 57.70 H new ATOM 0 HG LEU A 84 60.477 9.726 59.041 1.00 56.90 H new ATOM 0 HD11 LEU A 84 59.322 8.673 60.751 1.00 61.63 H new ATOM 0 HD12 LEU A 84 58.807 8.153 59.346 1.00 61.63 H new ATOM 0 HD13 LEU A 84 59.794 7.262 60.208 1.00 61.63 H new ATOM 0 HD21 LEU A 84 61.702 9.381 61.022 1.00 48.26 H new ATOM 0 HD22 LEU A 84 62.214 7.991 60.463 1.00 48.26 H new ATOM 0 HD23 LEU A 84 62.678 9.340 59.776 1.00 48.26 H new ATOM 643 N ALA A 85 61.345 7.060 55.145 1.00 55.35 N ATOM 644 CA ALA A 85 61.773 7.259 53.769 1.00 62.55 C ATOM 645 C ALA A 85 60.609 7.082 52.794 1.00 64.93 C ATOM 646 O ALA A 85 60.420 7.894 51.883 1.00 64.14 O ATOM 647 CB ALA A 85 62.906 6.291 53.435 1.00 61.70 C ATOM 0 H ALA A 85 61.780 6.451 55.568 1.00 55.35 H new ATOM 0 HA ALA A 85 62.095 8.169 53.677 1.00 62.55 H new ATOM 0 HB1 ALA A 85 63.188 6.427 52.517 1.00 61.70 H new ATOM 0 HB2 ALA A 85 63.655 6.451 54.030 1.00 61.70 H new ATOM 0 HB3 ALA A 85 62.596 5.379 53.545 1.00 61.70 H new ATOM 648 N ASP A 86 59.816 6.035 52.994 1.00 66.27 N ATOM 649 CA ASP A 86 58.683 5.793 52.118 1.00 68.41 C ATOM 650 C ASP A 86 57.685 6.943 52.156 1.00 69.19 C ATOM 651 O ASP A 86 57.027 7.227 51.153 1.00 75.30 O ATOM 652 CB ASP A 86 57.996 4.476 52.483 1.00 74.90 C ATOM 653 CG ASP A 86 58.895 3.268 52.252 1.00 85.29 C ATOM 654 OD1 ASP A 86 58.416 2.124 52.410 1.00 89.15 O ATOM 655 OD2 ASP A 86 60.086 3.462 51.914 1.00 85.59 O ATOM 0 H ASP A 86 59.917 5.460 53.625 1.00 66.27 H new ATOM 0 HA ASP A 86 59.022 5.730 51.211 1.00 68.41 H new ATOM 0 HB2 ASP A 86 57.727 4.502 53.414 1.00 74.90 H new ATOM 0 HB3 ASP A 86 57.187 4.379 51.956 1.00 74.90 H new ATOM 656 N VAL A 87 57.562 7.606 53.302 1.00 61.94 N ATOM 657 CA VAL A 87 56.638 8.727 53.401 1.00 59.38 C ATOM 658 C VAL A 87 57.204 9.889 52.577 1.00 62.23 C ATOM 659 O VAL A 87 56.467 10.653 51.952 1.00 58.15 O ATOM 660 CB VAL A 87 56.436 9.158 54.883 1.00 59.39 C ATOM 661 CG1 VAL A 87 55.563 10.395 54.970 1.00 45.23 C ATOM 662 CG2 VAL A 87 55.784 8.034 55.656 1.00 59.59 C ATOM 0 H VAL A 87 57.997 7.426 54.022 1.00 61.94 H new ATOM 0 HA VAL A 87 55.770 8.464 53.057 1.00 59.38 H new ATOM 0 HB VAL A 87 57.305 9.361 55.263 1.00 59.39 H new ATOM 0 HG11 VAL A 87 55.450 10.647 55.900 1.00 45.23 H new ATOM 0 HG12 VAL A 87 55.984 11.123 54.488 1.00 45.23 H new ATOM 0 HG13 VAL A 87 54.696 10.207 54.578 1.00 45.23 H new ATOM 0 HG21 VAL A 87 55.659 8.305 56.579 1.00 59.59 H new ATOM 0 HG22 VAL A 87 54.923 7.827 55.261 1.00 59.59 H new ATOM 0 HG23 VAL A 87 56.351 7.248 55.624 1.00 59.59 H new ATOM 663 N ALA A 88 58.525 10.010 52.571 1.00 63.21 N ATOM 664 CA ALA A 88 59.178 11.068 51.812 1.00 63.62 C ATOM 665 C ALA A 88 59.062 10.786 50.315 1.00 64.87 C ATOM 666 O ALA A 88 58.790 11.690 49.529 1.00 65.60 O ATOM 667 CB ALA A 88 60.642 11.172 52.210 1.00 58.09 C ATOM 0 H ALA A 88 59.061 9.491 52.999 1.00 63.21 H new ATOM 0 HA ALA A 88 58.740 11.910 52.009 1.00 63.62 H new ATOM 0 HB1 ALA A 88 61.067 11.879 51.699 1.00 58.09 H new ATOM 0 HB2 ALA A 88 60.707 11.374 53.157 1.00 58.09 H new ATOM 0 HB3 ALA A 88 61.088 10.330 52.028 1.00 58.09 H new ATOM 668 N ARG A 89 59.273 9.533 49.925 1.00 65.34 N ATOM 669 CA ARG A 89 59.193 9.152 48.522 1.00 67.38 C ATOM 670 C ARG A 89 57.821 9.416 47.909 1.00 71.05 C ATOM 671 O ARG A 89 57.719 9.746 46.728 1.00 71.38 O ATOM 672 CB ARG A 89 59.534 7.670 48.348 1.00 65.47 C ATOM 673 CG ARG A 89 60.982 7.307 48.664 1.00 69.07 C ATOM 674 CD ARG A 89 61.256 5.848 48.347 1.00 62.58 C ATOM 675 NE ARG A 89 62.065 5.186 49.370 1.00 71.74 N ATOM 676 CZ ARG A 89 63.389 5.269 49.467 1.00 71.13 C ATOM 677 NH1 ARG A 89 64.073 5.990 48.594 1.00 74.24 N ATOM 678 NH2 ARG A 89 64.028 4.626 50.438 1.00 67.70 N ATOM 0 H ARG A 89 59.464 8.887 50.460 1.00 65.34 H new ATOM 0 HA ARG A 89 59.839 9.706 48.056 1.00 67.38 H new ATOM 0 HB2 ARG A 89 58.950 7.147 48.920 1.00 65.47 H new ATOM 0 HB3 ARG A 89 59.341 7.412 47.433 1.00 65.47 H new ATOM 0 HG2 ARG A 89 61.580 7.871 48.150 1.00 69.07 H new ATOM 0 HG3 ARG A 89 61.165 7.478 49.601 1.00 69.07 H new ATOM 0 HD2 ARG A 89 60.413 5.378 48.254 1.00 62.58 H new ATOM 0 HD3 ARG A 89 61.711 5.787 47.492 1.00 62.58 H new ATOM 0 HE ARG A 89 61.653 4.707 49.953 1.00 71.74 H new ATOM 0 HH11 ARG A 89 63.662 6.405 47.963 1.00 74.24 H new ATOM 0 HH12 ARG A 89 64.929 6.043 48.657 1.00 74.24 H new ATOM 0 HH21 ARG A 89 63.586 4.155 51.005 1.00 67.70 H new ATOM 0 HH22 ARG A 89 64.884 4.681 50.499 1.00 67.70 H new ATOM 679 N ARG A 90 56.765 9.274 48.702 1.00 71.40 N ATOM 680 CA ARG A 90 55.424 9.485 48.182 1.00 70.17 C ATOM 681 C ARG A 90 54.764 10.745 48.699 1.00 69.28 C ATOM 682 O ARG A 90 53.595 10.993 48.422 1.00 69.43 O ATOM 683 CB ARG A 90 54.555 8.274 48.501 1.00 76.18 C ATOM 684 CG ARG A 90 55.047 7.002 47.831 1.00 88.74 C ATOM 685 CD ARG A 90 55.580 5.974 48.827 1.00 95.99 C ATOM 686 NE ARG A 90 54.508 5.347 49.597 1.00102.84 N ATOM 687 CZ ARG A 90 54.673 4.286 50.382 1.00106.77 C ATOM 688 NH1 ARG A 90 55.872 3.726 50.504 1.00106.85 N ATOM 689 NH2 ARG A 90 53.639 3.783 51.047 1.00105.59 N ATOM 0 H ARG A 90 56.803 9.059 49.534 1.00 71.40 H new ATOM 0 HA ARG A 90 55.512 9.598 47.223 1.00 70.17 H new ATOM 0 HB2 ARG A 90 54.533 8.141 49.462 1.00 76.18 H new ATOM 0 HB3 ARG A 90 53.644 8.452 48.219 1.00 76.18 H new ATOM 0 HG2 ARG A 90 54.321 6.607 47.323 1.00 88.74 H new ATOM 0 HG3 ARG A 90 55.747 7.225 47.198 1.00 88.74 H new ATOM 0 HD2 ARG A 90 56.076 5.291 48.350 1.00 95.99 H new ATOM 0 HD3 ARG A 90 56.202 6.405 49.433 1.00 95.99 H new ATOM 0 HE ARG A 90 53.720 5.686 49.539 1.00102.84 H new ATOM 0 HH11 ARG A 90 56.543 4.050 50.075 1.00106.85 H new ATOM 0 HH12 ARG A 90 55.977 3.040 51.012 1.00106.85 H new ATOM 0 HH21 ARG A 90 52.862 4.143 50.970 1.00105.59 H new ATOM 0 HH22 ARG A 90 53.747 3.097 51.554 1.00105.59 H new ATOM 690 N LEU A 91 55.514 11.541 49.449 1.00 72.37 N ATOM 691 CA LEU A 91 54.985 12.782 50.000 1.00 72.82 C ATOM 692 C LEU A 91 54.348 13.605 48.890 1.00 75.37 C ATOM 693 O LEU A 91 53.288 14.200 49.067 1.00 77.83 O ATOM 694 CB LEU A 91 56.108 13.578 50.669 1.00 65.86 C ATOM 695 CG LEU A 91 55.742 14.953 51.220 1.00 60.66 C ATOM 696 CD1 LEU A 91 54.614 14.835 52.227 1.00 60.37 C ATOM 697 CD2 LEU A 91 56.964 15.573 51.853 1.00 54.55 C ATOM 0 H LEU A 91 56.334 11.381 49.652 1.00 72.37 H new ATOM 0 HA LEU A 91 54.311 12.574 50.666 1.00 72.82 H new ATOM 0 HB2 LEU A 91 56.464 13.045 51.397 1.00 65.86 H new ATOM 0 HB3 LEU A 91 56.824 13.691 50.024 1.00 65.86 H new ATOM 0 HG LEU A 91 55.436 15.522 50.497 1.00 60.66 H new ATOM 0 HD11 LEU A 91 54.392 15.715 52.569 1.00 60.37 H new ATOM 0 HD12 LEU A 91 53.835 14.449 51.797 1.00 60.37 H new ATOM 0 HD13 LEU A 91 54.893 14.265 52.960 1.00 60.37 H new ATOM 0 HD21 LEU A 91 56.738 16.448 52.205 1.00 54.55 H new ATOM 0 HD22 LEU A 91 57.278 15.006 52.574 1.00 54.55 H new ATOM 0 HD23 LEU A 91 57.663 15.664 51.187 1.00 54.55 H new ATOM 698 N CYS A 92 55.007 13.639 47.741 1.00 78.90 N ATOM 699 CA CYS A 92 54.497 14.381 46.598 1.00 78.54 C ATOM 700 C CYS A 92 54.934 13.676 45.319 1.00 77.84 C ATOM 701 O CYS A 92 55.821 12.817 45.346 1.00 74.75 O ATOM 702 CB CYS A 92 55.002 15.833 46.632 1.00 75.76 C ATOM 703 SG CYS A 92 56.801 16.034 46.711 1.00 78.02 S ATOM 0 H CYS A 92 55.755 13.237 47.602 1.00 78.90 H new ATOM 0 HA CYS A 92 53.528 14.409 46.629 1.00 78.54 H new ATOM 0 HB2 CYS A 92 54.676 16.291 45.841 1.00 75.76 H new ATOM 0 HB3 CYS A 92 54.609 16.277 47.399 1.00 75.76 H new ATOM 0 HG CYS A 92 57.073 17.203 46.730 1.00 78.02 H new ATOM 704 N ALA A 93 54.294 14.032 44.209 1.00 77.30 N ATOM 705 CA ALA A 93 54.588 13.434 42.912 1.00 76.43 C ATOM 706 C ALA A 93 56.065 13.109 42.708 1.00 76.05 C ATOM 707 O ALA A 93 56.450 11.943 42.602 1.00 73.51 O ATOM 708 CB ALA A 93 54.105 14.354 41.805 1.00 75.61 C ATOM 0 H ALA A 93 53.675 14.629 44.188 1.00 77.30 H new ATOM 0 HA ALA A 93 54.116 12.587 42.884 1.00 76.43 H new ATOM 0 HB1 ALA A 93 54.301 13.955 40.943 1.00 75.61 H new ATOM 0 HB2 ALA A 93 53.148 14.487 41.889 1.00 75.61 H new ATOM 0 HB3 ALA A 93 54.557 15.210 41.875 1.00 75.61 H new ATOM 709 N GLU A 94 56.886 14.149 42.651 1.00 74.66 N ATOM 710 CA GLU A 94 58.316 13.983 42.446 1.00 80.14 C ATOM 711 C GLU A 94 58.959 13.194 43.579 1.00 80.48 C ATOM 712 O GLU A 94 59.946 12.484 43.375 1.00 83.31 O ATOM 713 CB GLU A 94 59.004 15.351 42.350 1.00 83.35 C ATOM 714 CG GLU A 94 58.111 16.506 41.907 1.00 88.42 C ATOM 715 CD GLU A 94 57.171 16.984 43.004 1.00 86.86 C ATOM 716 OE1 GLU A 94 56.163 16.299 43.279 1.00 81.02 O ATOM 717 OE2 GLU A 94 57.450 18.050 43.595 1.00 87.41 O ATOM 0 H GLU A 94 56.631 14.967 42.730 1.00 74.66 H new ATOM 0 HA GLU A 94 58.430 13.492 41.617 1.00 80.14 H new ATOM 0 HB2 GLU A 94 59.380 15.568 43.217 1.00 83.35 H new ATOM 0 HB3 GLU A 94 59.746 15.280 41.729 1.00 83.35 H new ATOM 0 HG2 GLU A 94 58.667 17.247 41.619 1.00 88.42 H new ATOM 0 HG3 GLU A 94 57.589 16.228 41.138 1.00 88.42 H new ATOM 718 N GLY A 95 58.388 13.321 44.771 1.00 77.95 N ATOM 719 CA GLY A 95 58.943 12.658 45.930 1.00 74.53 C ATOM 720 C GLY A 95 59.808 13.694 46.627 1.00 75.82 C ATOM 721 O GLY A 95 60.061 14.770 46.072 1.00 75.65 O ATOM 0 H GLY A 95 57.681 13.786 44.925 1.00 77.95 H new ATOM 0 HA2 GLY A 95 58.240 12.339 46.518 1.00 74.53 H new ATOM 0 HA3 GLY A 95 59.468 11.885 45.670 1.00 74.53 H new ATOM 722 N LEU A 96 60.272 13.401 47.834 1.00 70.58 N ATOM 723 CA LEU A 96 61.095 14.372 48.534 1.00 62.14 C ATOM 724 C LEU A 96 62.519 14.394 47.994 1.00 62.48 C ATOM 725 O LEU A 96 63.122 15.459 47.872 1.00 61.36 O ATOM 726 CB LEU A 96 61.121 14.070 50.033 1.00 58.96 C ATOM 727 CG LEU A 96 61.954 15.034 50.880 1.00 48.73 C ATOM 728 CD1 LEU A 96 61.382 16.453 50.794 1.00 40.48 C ATOM 729 CD2 LEU A 96 61.961 14.540 52.316 1.00 54.59 C ATOM 0 H LEU A 96 60.127 12.666 48.256 1.00 70.58 H new ATOM 0 HA LEU A 96 60.700 15.245 48.387 1.00 62.14 H new ATOM 0 HB2 LEU A 96 60.210 14.076 50.365 1.00 58.96 H new ATOM 0 HB3 LEU A 96 61.464 13.172 50.161 1.00 58.96 H new ATOM 0 HG LEU A 96 62.864 15.063 50.545 1.00 48.73 H new ATOM 0 HD11 LEU A 96 61.920 17.052 51.335 1.00 40.48 H new ATOM 0 HD12 LEU A 96 61.395 16.752 49.871 1.00 40.48 H new ATOM 0 HD13 LEU A 96 60.469 16.454 51.121 1.00 40.48 H new ATOM 0 HD21 LEU A 96 62.487 15.144 52.864 1.00 54.59 H new ATOM 0 HD22 LEU A 96 61.052 14.508 52.652 1.00 54.59 H new ATOM 0 HD23 LEU A 96 62.349 13.652 52.351 1.00 54.59 H new ATOM 730 N GLY A 97 63.048 13.218 47.670 1.00 59.45 N ATOM 731 CA GLY A 97 64.412 13.118 47.175 1.00 58.31 C ATOM 732 C GLY A 97 64.798 14.188 46.172 1.00 58.48 C ATOM 733 O GLY A 97 65.909 14.720 46.188 1.00 59.01 O ATOM 0 H GLY A 97 62.632 12.468 47.730 1.00 59.45 H new ATOM 0 HA2 GLY A 97 65.021 13.162 47.928 1.00 58.31 H new ATOM 0 HA3 GLY A 97 64.532 12.248 46.764 1.00 58.31 H new ATOM 734 N VAL A 98 63.860 14.514 45.301 1.00 58.53 N ATOM 735 CA VAL A 98 64.089 15.506 44.277 1.00 58.38 C ATOM 736 C VAL A 98 64.418 16.900 44.808 1.00 58.43 C ATOM 737 O VAL A 98 65.202 17.632 44.201 1.00 59.72 O ATOM 738 CB VAL A 98 62.859 15.568 43.360 1.00 59.02 C ATOM 739 CG1 VAL A 98 62.337 17.002 43.251 1.00 58.63 C ATOM 740 CG2 VAL A 98 63.214 14.996 42.013 1.00 51.34 C ATOM 0 H VAL A 98 63.074 14.165 45.289 1.00 58.53 H new ATOM 0 HA VAL A 98 64.879 15.224 43.789 1.00 58.38 H new ATOM 0 HB VAL A 98 62.143 15.035 43.740 1.00 59.02 H new ATOM 0 HG11 VAL A 98 61.561 17.021 42.669 1.00 58.63 H new ATOM 0 HG12 VAL A 98 62.088 17.324 44.132 1.00 58.63 H new ATOM 0 HG13 VAL A 98 63.031 17.572 42.884 1.00 58.63 H new ATOM 0 HG21 VAL A 98 62.439 15.034 41.431 1.00 51.34 H new ATOM 0 HG22 VAL A 98 63.937 15.512 41.622 1.00 51.34 H new ATOM 0 HG23 VAL A 98 63.495 14.074 42.117 1.00 51.34 H new ATOM 741 N HIS A 99 63.840 17.259 45.946 1.00 52.44 N ATOM 742 CA HIS A 99 64.048 18.583 46.513 1.00 49.45 C ATOM 743 C HIS A 99 65.203 18.736 47.480 1.00 47.68 C ATOM 744 O HIS A 99 65.542 19.863 47.867 1.00 46.60 O ATOM 745 CB HIS A 99 62.777 19.034 47.207 1.00 49.98 C ATOM 746 CG HIS A 99 61.574 19.025 46.321 1.00 53.61 C ATOM 747 ND1 HIS A 99 61.164 20.132 45.610 1.00 56.36 N ATOM 748 CD2 HIS A 99 60.685 18.043 46.041 1.00 54.18 C ATOM 749 CE1 HIS A 99 60.070 19.833 44.931 1.00 59.88 C ATOM 750 NE2 HIS A 99 59.760 18.572 45.175 1.00 60.71 N ATOM 0 H HIS A 99 63.322 16.749 46.407 1.00 52.44 H new ATOM 0 HA HIS A 99 64.283 19.135 45.751 1.00 49.45 H new ATOM 0 HB2 HIS A 99 62.612 18.457 47.969 1.00 49.98 H new ATOM 0 HB3 HIS A 99 62.907 19.931 47.553 1.00 49.98 H new ATOM 0 HD2 HIS A 99 60.698 17.174 46.373 1.00 54.18 H new ATOM 0 HE1 HIS A 99 59.599 20.412 44.376 1.00 59.88 H new ATOM 0 HE2 HIS A 99 59.087 18.150 44.845 1.00 60.71 H new ATOM 751 N VAL A 100 65.812 17.624 47.874 1.00 44.32 N ATOM 752 CA VAL A 100 66.930 17.685 48.813 1.00 45.02 C ATOM 753 C VAL A 100 68.175 18.258 48.141 1.00 46.82 C ATOM 754 O VAL A 100 68.514 17.879 47.022 1.00 47.43 O ATOM 755 CB VAL A 100 67.288 16.270 49.382 1.00 44.50 C ATOM 756 CG1 VAL A 100 68.479 16.368 50.314 1.00 45.37 C ATOM 757 CG2 VAL A 100 66.112 15.687 50.122 1.00 46.17 C ATOM 0 H VAL A 100 65.598 16.832 47.615 1.00 44.32 H new ATOM 0 HA VAL A 100 66.648 18.261 49.541 1.00 45.02 H new ATOM 0 HB VAL A 100 67.511 15.688 48.638 1.00 44.50 H new ATOM 0 HG11 VAL A 100 68.692 15.487 50.661 1.00 45.37 H new ATOM 0 HG12 VAL A 100 69.242 16.717 49.828 1.00 45.37 H new ATOM 0 HG13 VAL A 100 68.266 16.962 51.051 1.00 45.37 H new ATOM 0 HG21 VAL A 100 66.349 14.812 50.468 1.00 46.17 H new ATOM 0 HG22 VAL A 100 65.871 16.271 50.858 1.00 46.17 H new ATOM 0 HG23 VAL A 100 65.359 15.602 49.517 1.00 46.17 H new ATOM 758 N LEU A 101 68.851 19.168 48.831 1.00 43.50 N ATOM 759 CA LEU A 101 70.076 19.754 48.317 1.00 47.96 C ATOM 760 C LEU A 101 71.228 18.830 48.724 1.00 54.16 C ATOM 761 O LEU A 101 71.492 18.650 49.916 1.00 48.99 O ATOM 762 CB LEU A 101 70.276 21.143 48.913 1.00 41.76 C ATOM 763 CG LEU A 101 69.168 22.147 48.592 1.00 45.75 C ATOM 764 CD1 LEU A 101 69.442 23.454 49.308 1.00 38.54 C ATOM 765 CD2 LEU A 101 69.082 22.360 47.079 1.00 40.93 C ATOM 0 H LEU A 101 68.613 19.460 49.604 1.00 43.50 H new ATOM 0 HA LEU A 101 70.038 19.845 47.352 1.00 47.96 H new ATOM 0 HB2 LEU A 101 70.350 21.060 49.877 1.00 41.76 H new ATOM 0 HB3 LEU A 101 71.120 21.499 48.594 1.00 41.76 H new ATOM 0 HG LEU A 101 68.316 21.800 48.899 1.00 45.75 H new ATOM 0 HD11 LEU A 101 68.738 24.089 49.103 1.00 38.54 H new ATOM 0 HD12 LEU A 101 69.469 23.299 50.265 1.00 38.54 H new ATOM 0 HD13 LEU A 101 70.295 23.811 49.015 1.00 38.54 H new ATOM 0 HD21 LEU A 101 68.378 22.997 46.881 1.00 40.93 H new ATOM 0 HD22 LEU A 101 69.929 22.702 46.752 1.00 40.93 H new ATOM 0 HD23 LEU A 101 68.885 21.516 46.644 1.00 40.93 H new ATOM 766 N LEU A 102 71.905 18.251 47.730 1.00 58.63 N ATOM 767 CA LEU A 102 73.015 17.324 47.972 1.00 57.54 C ATOM 768 C LEU A 102 74.322 17.739 47.281 1.00 61.50 C ATOM 769 O LEU A 102 74.305 18.445 46.268 1.00 56.89 O ATOM 770 CB LEU A 102 72.627 15.925 47.496 1.00 57.30 C ATOM 771 CG LEU A 102 71.387 15.261 48.106 1.00 62.67 C ATOM 772 CD1 LEU A 102 71.049 13.987 47.330 1.00 59.03 C ATOM 773 CD2 LEU A 102 71.635 14.941 49.567 1.00 59.62 C ATOM 0 H LEU A 102 71.734 18.384 46.898 1.00 58.63 H new ATOM 0 HA LEU A 102 73.180 17.338 48.928 1.00 57.54 H new ATOM 0 HB2 LEU A 102 72.497 15.966 46.536 1.00 57.30 H new ATOM 0 HB3 LEU A 102 73.384 15.339 47.655 1.00 57.30 H new ATOM 0 HG LEU A 102 70.636 15.872 48.048 1.00 62.67 H new ATOM 0 HD11 LEU A 102 70.264 13.570 47.719 1.00 59.03 H new ATOM 0 HD12 LEU A 102 70.870 14.210 46.403 1.00 59.03 H new ATOM 0 HD13 LEU A 102 71.798 13.372 47.376 1.00 59.03 H new ATOM 0 HD21 LEU A 102 70.846 14.522 49.945 1.00 59.62 H new ATOM 0 HD22 LEU A 102 72.390 14.336 49.642 1.00 59.62 H new ATOM 0 HD23 LEU A 102 71.828 15.760 50.050 1.00 59.62 H new ATOM 774 N GLY A 103 75.448 17.288 47.840 1.00 61.82 N ATOM 775 CA GLY A 103 76.761 17.592 47.281 1.00 64.85 C ATOM 776 C GLY A 103 77.016 16.782 46.024 1.00 64.02 C ATOM 777 O GLY A 103 76.319 15.791 45.809 1.00 63.77 O ATOM 0 H GLY A 103 75.469 16.801 48.549 1.00 61.82 H new ATOM 0 HA2 GLY A 103 76.818 18.539 47.077 1.00 64.85 H new ATOM 0 HA3 GLY A 103 77.448 17.401 47.938 1.00 64.85 H new ATOM 778 N ARG A 104 77.999 17.181 45.205 1.00 68.20 N ATOM 779 CA ARG A 104 78.308 16.459 43.951 1.00 66.36 C ATOM 780 C ARG A 104 78.437 14.976 44.228 1.00 59.42 C ATOM 781 O ARG A 104 77.717 14.154 43.659 1.00 56.94 O ATOM 782 CB ARG A 104 79.630 16.922 43.307 1.00 72.74 C ATOM 783 CG ARG A 104 79.848 18.421 43.175 1.00 73.38 C ATOM 784 CD ARG A 104 78.575 19.198 42.858 1.00 77.94 C ATOM 785 NE ARG A 104 77.923 18.834 41.602 1.00 86.83 N ATOM 786 CZ ARG A 104 77.398 19.723 40.762 1.00 91.18 C ATOM 787 NH1 ARG A 104 77.465 21.013 41.052 1.00 92.96 N ATOM 788 NH2 ARG A 104 76.792 19.330 39.647 1.00 94.03 N ATOM 0 H ARG A 104 78.499 17.865 45.353 1.00 68.20 H new ATOM 0 HA ARG A 104 77.578 16.649 43.341 1.00 66.36 H new ATOM 0 HB2 ARG A 104 80.363 16.556 43.827 1.00 72.74 H new ATOM 0 HB3 ARG A 104 79.687 16.530 42.421 1.00 72.74 H new ATOM 0 HG2 ARG A 104 80.227 18.759 44.002 1.00 73.38 H new ATOM 0 HG3 ARG A 104 80.500 18.585 42.476 1.00 73.38 H new ATOM 0 HD2 ARG A 104 77.944 19.068 43.583 1.00 77.94 H new ATOM 0 HD3 ARG A 104 78.788 20.144 42.833 1.00 77.94 H new ATOM 0 HE ARG A 104 77.876 18.001 41.394 1.00 86.83 H new ATOM 0 HH11 ARG A 104 77.846 21.271 41.779 1.00 92.96 H new ATOM 0 HH12 ARG A 104 77.128 21.593 40.514 1.00 92.96 H new ATOM 0 HH21 ARG A 104 76.735 18.492 39.461 1.00 94.03 H new ATOM 0 HH22 ARG A 104 76.456 19.913 39.112 1.00 94.03 H new ATOM 789 N GLY A 105 79.370 14.654 45.115 1.00 57.83 N ATOM 790 CA GLY A 105 79.600 13.273 45.481 1.00 61.54 C ATOM 791 C GLY A 105 78.298 12.567 45.797 1.00 62.86 C ATOM 792 O GLY A 105 77.791 11.780 45.000 1.00 62.51 O ATOM 0 H GLY A 105 79.878 15.222 45.514 1.00 57.83 H new ATOM 0 HA2 GLY A 105 80.052 12.814 44.756 1.00 61.54 H new ATOM 0 HA3 GLY A 105 80.188 13.233 46.252 1.00 61.54 H new ATOM 793 N GLU A 106 77.753 12.871 46.966 1.00 64.14 N ATOM 794 CA GLU A 106 76.506 12.282 47.432 1.00 64.99 C ATOM 795 C GLU A 106 75.461 12.221 46.316 1.00 63.95 C ATOM 796 O GLU A 106 74.730 11.242 46.182 1.00 63.79 O ATOM 797 CB GLU A 106 75.976 13.115 48.608 1.00 66.13 C ATOM 798 CG GLU A 106 74.889 12.451 49.419 1.00 63.91 C ATOM 799 CD GLU A 106 75.399 11.257 50.201 1.00 64.41 C ATOM 800 OE1 GLU A 106 76.370 11.426 50.973 1.00 55.82 O ATOM 801 OE2 GLU A 106 74.825 10.154 50.046 1.00 68.05 O ATOM 0 H GLU A 106 78.100 13.432 47.518 1.00 64.14 H new ATOM 0 HA GLU A 106 76.678 11.371 47.717 1.00 64.99 H new ATOM 0 HB2 GLU A 106 76.717 13.327 49.197 1.00 66.13 H new ATOM 0 HB3 GLU A 106 75.637 13.956 48.264 1.00 66.13 H new ATOM 0 HG2 GLU A 106 74.507 13.097 50.033 1.00 63.91 H new ATOM 0 HG3 GLU A 106 74.176 12.166 48.827 1.00 63.91 H new ATOM 802 N ALA A 107 75.405 13.273 45.510 1.00 70.76 N ATOM 803 CA ALA A 107 74.440 13.359 44.419 1.00 79.11 C ATOM 804 C ALA A 107 74.433 12.176 43.444 1.00 83.21 C ATOM 805 O ALA A 107 73.424 11.482 43.309 1.00 85.03 O ATOM 806 CB ALA A 107 74.652 14.666 43.647 1.00 76.55 C ATOM 0 H ALA A 107 75.923 13.956 45.578 1.00 70.76 H new ATOM 0 HA ALA A 107 73.570 13.335 44.848 1.00 79.11 H new ATOM 0 HB1 ALA A 107 74.010 14.722 42.922 1.00 76.55 H new ATOM 0 HB2 ALA A 107 74.529 15.419 44.246 1.00 76.55 H new ATOM 0 HB3 ALA A 107 75.551 14.685 43.284 1.00 76.55 H new ATOM 807 N ASN A 108 75.551 11.946 42.762 1.00 87.56 N ATOM 808 CA ASN A 108 75.631 10.862 41.777 1.00 89.81 C ATOM 809 C ASN A 108 75.826 9.458 42.343 1.00 87.70 C ATOM 810 O ASN A 108 75.949 8.500 41.583 1.00 88.81 O ATOM 811 CB ASN A 108 76.745 11.161 40.777 1.00 93.52 C ATOM 812 CG ASN A 108 78.075 11.381 41.456 1.00 99.76 C ATOM 813 OD1 ASN A 108 79.040 11.819 40.835 1.00103.06 O ATOM 814 ND2 ASN A 108 78.136 11.071 42.746 1.00102.06 N ATOM 0 H ASN A 108 76.274 12.403 42.852 1.00 87.56 H new ATOM 0 HA ASN A 108 74.757 10.846 41.356 1.00 89.81 H new ATOM 0 HB2 ASN A 108 76.821 10.425 40.150 1.00 93.52 H new ATOM 0 HB3 ASN A 108 76.512 11.949 40.262 1.00 93.52 H new ATOM 0 HD21 ASN A 108 78.872 11.175 43.179 1.00102.06 H new ATOM 0 HD22 ASN A 108 77.440 10.767 43.148 1.00102.06 H new ATOM 815 N THR A 109 75.864 9.336 43.667 1.00 83.52 N ATOM 816 CA THR A 109 76.021 8.036 44.305 1.00 78.32 C ATOM 817 C THR A 109 74.656 7.508 44.727 1.00 74.47 C ATOM 818 O THR A 109 74.556 6.572 45.518 1.00 73.38 O ATOM 819 CB THR A 109 76.912 8.131 45.548 1.00 80.51 C ATOM 820 OG1 THR A 109 77.123 9.507 45.873 1.00 78.80 O ATOM 821 CG2 THR A 109 78.248 7.451 45.307 1.00 84.39 C ATOM 0 H THR A 109 75.800 9.997 44.214 1.00 83.52 H new ATOM 0 HA THR A 109 76.437 7.438 43.665 1.00 78.32 H new ATOM 0 HB THR A 109 76.469 7.682 46.285 1.00 80.51 H new ATOM 0 HG1 THR A 109 77.635 9.854 45.304 1.00 78.80 H new ATOM 0 HG21 THR A 109 78.796 7.522 46.104 1.00 84.39 H new ATOM 0 HG22 THR A 109 78.102 6.515 45.098 1.00 84.39 H new ATOM 0 HG23 THR A 109 78.701 7.881 44.565 1.00 84.39 H new ATOM 822 N GLY A 110 73.607 8.120 44.191 1.00 71.26 N ATOM 823 CA GLY A 110 72.259 7.707 44.528 1.00 68.38 C ATOM 824 C GLY A 110 71.677 8.505 45.687 1.00 68.31 C ATOM 825 O GLY A 110 70.514 8.326 46.043 1.00 65.91 O ATOM 0 H GLY A 110 73.657 8.773 43.633 1.00 71.26 H new ATOM 0 HA2 GLY A 110 71.689 7.809 43.750 1.00 68.38 H new ATOM 0 HA3 GLY A 110 72.260 6.764 44.757 1.00 68.38 H new ATOM 826 N GLY A 111 72.486 9.391 46.265 1.00 65.72 N ATOM 827 CA GLY A 111 72.046 10.209 47.386 1.00 66.46 C ATOM 828 C GLY A 111 70.563 10.545 47.463 1.00 67.91 C ATOM 829 O GLY A 111 69.940 10.350 48.509 1.00 68.48 O ATOM 0 H GLY A 111 73.298 9.532 46.019 1.00 65.72 H new ATOM 0 HA2 GLY A 111 72.294 9.754 48.206 1.00 66.46 H new ATOM 0 HA3 GLY A 111 72.542 11.042 47.363 1.00 66.46 H new ATOM 830 N ALA A 112 70.001 11.043 46.361 1.00 65.31 N ATOM 831 CA ALA A 112 68.591 11.433 46.278 1.00 63.27 C ATOM 832 C ALA A 112 67.593 10.311 46.511 1.00 61.09 C ATOM 833 O ALA A 112 66.383 10.546 46.494 1.00 60.96 O ATOM 834 CB ALA A 112 68.312 12.083 44.929 1.00 63.42 C ATOM 0 H ALA A 112 70.435 11.166 45.629 1.00 65.31 H new ATOM 0 HA ALA A 112 68.459 12.058 47.008 1.00 63.27 H new ATOM 0 HB1 ALA A 112 67.378 12.339 44.880 1.00 63.42 H new ATOM 0 HB2 ALA A 112 68.868 12.871 44.828 1.00 63.42 H new ATOM 0 HB3 ALA A 112 68.512 11.453 44.219 1.00 63.42 H new ATOM 835 N ASP A 113 68.086 9.094 46.712 1.00 61.67 N ATOM 836 CA ASP A 113 67.198 7.963 46.954 1.00 63.41 C ATOM 837 C ASP A 113 67.604 7.204 48.210 1.00 62.13 C ATOM 838 O ASP A 113 66.922 6.268 48.624 1.00 57.37 O ATOM 839 CB ASP A 113 67.192 6.990 45.777 1.00 67.94 C ATOM 840 CG ASP A 113 66.028 6.011 45.851 1.00 74.97 C ATOM 841 OD1 ASP A 113 66.148 4.874 45.338 1.00 71.51 O ATOM 842 OD2 ASP A 113 64.981 6.397 46.420 1.00 76.71 O ATOM 0 H ASP A 113 68.924 8.902 46.712 1.00 61.67 H new ATOM 0 HA ASP A 113 66.308 8.331 47.068 1.00 63.41 H new ATOM 0 HB2 ASP A 113 67.142 7.489 44.947 1.00 67.94 H new ATOM 0 HB3 ASP A 113 68.027 6.497 45.762 1.00 67.94 H new ATOM 843 N LYS A 114 68.724 7.599 48.803 1.00 61.33 N ATOM 844 CA LYS A 114 69.191 6.965 50.025 1.00 64.50 C ATOM 845 C LYS A 114 68.125 7.149 51.122 1.00 68.64 C ATOM 846 O LYS A 114 67.920 8.255 51.631 1.00 69.77 O ATOM 847 CB LYS A 114 70.508 7.601 50.460 1.00 69.26 C ATOM 848 CG LYS A 114 71.596 6.613 50.793 1.00 74.86 C ATOM 849 CD LYS A 114 72.347 7.052 52.036 1.00 85.98 C ATOM 850 CE LYS A 114 73.480 6.096 52.367 1.00 89.53 C ATOM 851 NZ LYS A 114 73.413 5.639 53.784 1.00 89.34 N ATOM 0 H LYS A 114 69.227 8.233 48.513 1.00 61.33 H new ATOM 0 HA LYS A 114 69.337 6.018 49.873 1.00 64.50 H new ATOM 0 HB2 LYS A 114 70.822 8.185 49.752 1.00 69.26 H new ATOM 0 HB3 LYS A 114 70.344 8.159 51.236 1.00 69.26 H new ATOM 0 HG2 LYS A 114 71.211 5.734 50.934 1.00 74.86 H new ATOM 0 HG3 LYS A 114 72.211 6.536 50.047 1.00 74.86 H new ATOM 0 HD2 LYS A 114 72.703 7.944 51.902 1.00 85.98 H new ATOM 0 HD3 LYS A 114 71.734 7.101 52.786 1.00 85.98 H new ATOM 0 HE2 LYS A 114 73.440 5.328 51.776 1.00 89.53 H new ATOM 0 HE3 LYS A 114 74.331 6.533 52.207 1.00 89.53 H new ATOM 0 HZ1 LYS A 114 74.087 5.082 53.949 1.00 89.34 H new ATOM 0 HZ2 LYS A 114 73.471 6.342 54.326 1.00 89.34 H new ATOM 0 HZ3 LYS A 114 72.641 5.219 53.925 1.00 89.34 H new ATOM 852 N SER A 115 67.437 6.060 51.462 1.00 68.23 N ATOM 853 CA SER A 115 66.392 6.068 52.483 1.00 65.87 C ATOM 854 C SER A 115 66.854 6.853 53.707 1.00 63.75 C ATOM 855 O SER A 115 66.091 7.612 54.310 1.00 63.72 O ATOM 856 CB SER A 115 66.077 4.639 52.890 1.00 62.59 C ATOM 857 OG SER A 115 67.235 4.043 53.443 1.00 80.12 O ATOM 0 H SER A 115 67.565 5.289 51.103 1.00 68.23 H new ATOM 0 HA SER A 115 65.598 6.491 52.119 1.00 65.87 H new ATOM 0 HB2 SER A 115 65.355 4.628 53.537 1.00 62.59 H new ATOM 0 HB3 SER A 115 65.776 4.132 52.120 1.00 62.59 H new ATOM 0 HG SER A 115 67.062 3.253 53.670 1.00 80.12 H new ATOM 858 N SER A 116 68.116 6.648 54.060 1.00 59.66 N ATOM 859 CA SER A 116 68.744 7.315 55.187 1.00 57.40 C ATOM 860 C SER A 116 68.568 8.830 55.081 1.00 58.04 C ATOM 861 O SER A 116 68.139 9.505 56.027 1.00 49.05 O ATOM 862 CB SER A 116 70.234 6.959 55.208 1.00 57.50 C ATOM 863 OG SER A 116 70.986 7.857 56.007 1.00 64.76 O ATOM 0 H SER A 116 68.639 6.108 53.643 1.00 59.66 H new ATOM 0 HA SER A 116 68.324 7.019 56.010 1.00 57.40 H new ATOM 0 HB2 SER A 116 70.345 6.057 55.546 1.00 57.50 H new ATOM 0 HB3 SER A 116 70.580 6.967 54.302 1.00 57.50 H new ATOM 0 HG SER A 116 71.795 7.631 55.997 1.00 64.76 H new ATOM 864 N ILE A 117 68.913 9.354 53.915 1.00 53.78 N ATOM 865 CA ILE A 117 68.804 10.767 53.675 1.00 48.89 C ATOM 866 C ILE A 117 67.341 11.181 53.622 1.00 47.36 C ATOM 867 O ILE A 117 66.976 12.216 54.168 1.00 45.58 O ATOM 868 CB ILE A 117 69.532 11.156 52.367 1.00 51.64 C ATOM 869 CG1 ILE A 117 71.044 10.985 52.552 1.00 51.81 C ATOM 870 CG2 ILE A 117 69.223 12.599 51.997 1.00 46.06 C ATOM 871 CD1 ILE A 117 71.872 11.359 51.335 1.00 48.26 C ATOM 0 H ILE A 117 69.214 8.899 53.250 1.00 53.78 H new ATOM 0 HA ILE A 117 69.230 11.239 54.408 1.00 48.89 H new ATOM 0 HB ILE A 117 69.223 10.577 51.652 1.00 51.64 H new ATOM 0 HG12 ILE A 117 71.330 11.528 53.303 1.00 51.81 H new ATOM 0 HG13 ILE A 117 71.228 10.061 52.783 1.00 51.81 H new ATOM 0 HG21 ILE A 117 69.686 12.829 51.176 1.00 46.06 H new ATOM 0 HG22 ILE A 117 68.267 12.703 51.869 1.00 46.06 H new ATOM 0 HG23 ILE A 117 69.519 13.187 52.710 1.00 46.06 H new ATOM 0 HD11 ILE A 117 72.813 11.224 51.530 1.00 48.26 H new ATOM 0 HD12 ILE A 117 71.615 10.801 50.584 1.00 48.26 H new ATOM 0 HD13 ILE A 117 71.718 12.291 51.113 1.00 48.26 H new ATOM 872 N LEU A 118 66.501 10.369 52.989 1.00 44.46 N ATOM 873 CA LEU A 118 65.078 10.686 52.894 1.00 38.12 C ATOM 874 C LEU A 118 64.400 10.720 54.270 1.00 44.21 C ATOM 875 O LEU A 118 63.544 11.569 54.543 1.00 40.77 O ATOM 876 CB LEU A 118 64.364 9.667 52.009 1.00 44.33 C ATOM 877 CG LEU A 118 64.546 9.732 50.484 1.00 52.78 C ATOM 878 CD1 LEU A 118 63.755 8.601 49.840 1.00 48.72 C ATOM 879 CD2 LEU A 118 64.050 11.074 49.944 1.00 42.76 C ATOM 0 H LEU A 118 66.732 9.633 52.609 1.00 44.46 H new ATOM 0 HA LEU A 118 65.012 11.571 52.502 1.00 38.12 H new ATOM 0 HB2 LEU A 118 64.644 8.784 52.298 1.00 44.33 H new ATOM 0 HB3 LEU A 118 63.414 9.738 52.192 1.00 44.33 H new ATOM 0 HG LEU A 118 65.488 9.641 50.272 1.00 52.78 H new ATOM 0 HD11 LEU A 118 63.865 8.636 48.877 1.00 48.72 H new ATOM 0 HD12 LEU A 118 64.080 7.749 50.171 1.00 48.72 H new ATOM 0 HD13 LEU A 118 62.815 8.696 50.061 1.00 48.72 H new ATOM 0 HD21 LEU A 118 64.171 11.101 48.982 1.00 42.76 H new ATOM 0 HD22 LEU A 118 63.109 11.180 50.154 1.00 42.76 H new ATOM 0 HD23 LEU A 118 64.555 11.794 50.353 1.00 42.76 H new ATOM 880 N ALA A 119 64.777 9.789 55.137 1.00 41.51 N ATOM 881 CA ALA A 119 64.193 9.738 56.474 1.00 46.07 C ATOM 882 C ALA A 119 64.591 11.006 57.252 1.00 40.79 C ATOM 883 O ALA A 119 63.748 11.675 57.857 1.00 42.23 O ATOM 884 CB ALA A 119 64.678 8.476 57.214 1.00 38.34 C ATOM 0 H ALA A 119 65.364 9.182 54.975 1.00 41.51 H new ATOM 0 HA ALA A 119 63.226 9.699 56.405 1.00 46.07 H new ATOM 0 HB1 ALA A 119 64.286 8.450 58.101 1.00 38.34 H new ATOM 0 HB2 ALA A 119 64.409 7.687 56.718 1.00 38.34 H new ATOM 0 HB3 ALA A 119 65.645 8.496 57.289 1.00 38.34 H new ATOM 885 N ASP A 120 65.880 11.331 57.231 1.00 42.22 N ATOM 886 CA ASP A 120 66.363 12.505 57.926 1.00 40.45 C ATOM 887 C ASP A 120 65.644 13.754 57.413 1.00 43.24 C ATOM 888 O ASP A 120 65.238 14.622 58.206 1.00 36.59 O ATOM 889 CB ASP A 120 67.881 12.644 57.747 1.00 44.22 C ATOM 890 CG ASP A 120 68.655 11.605 58.549 1.00 52.60 C ATOM 891 OD1 ASP A 120 68.059 10.981 59.445 1.00 58.60 O ATOM 892 OD2 ASP A 120 69.856 11.415 58.300 1.00 57.09 O ATOM 0 H ASP A 120 66.487 10.882 56.819 1.00 42.22 H new ATOM 0 HA ASP A 120 66.175 12.408 58.873 1.00 40.45 H new ATOM 0 HB2 ASP A 120 68.103 12.555 56.807 1.00 44.22 H new ATOM 0 HB3 ASP A 120 68.157 13.533 58.021 1.00 44.22 H new ATOM 893 N GLY A 121 65.508 13.831 56.088 1.00 39.41 N ATOM 894 CA GLY A 121 64.860 14.961 55.441 1.00 34.16 C ATOM 895 C GLY A 121 63.422 15.109 55.900 1.00 33.86 C ATOM 896 O GLY A 121 62.972 16.203 56.236 1.00 34.66 O ATOM 0 H GLY A 121 65.790 13.228 55.544 1.00 39.41 H new ATOM 0 HA2 GLY A 121 65.350 15.774 55.639 1.00 34.16 H new ATOM 0 HA3 GLY A 121 64.884 14.843 54.479 1.00 34.16 H new ATOM 897 N MET A 122 62.695 14.002 55.923 1.00 32.17 N ATOM 898 CA MET A 122 61.312 14.006 56.365 1.00 32.27 C ATOM 899 C MET A 122 61.241 14.570 57.775 1.00 35.93 C ATOM 900 O MET A 122 60.398 15.424 58.076 1.00 41.39 O ATOM 901 CB MET A 122 60.754 12.585 56.340 1.00 37.04 C ATOM 902 CG MET A 122 59.242 12.516 56.396 1.00 46.19 C ATOM 903 SD MET A 122 58.448 13.410 55.041 1.00 50.09 S ATOM 904 CE MET A 122 57.581 14.630 55.901 1.00 39.19 C ATOM 0 H MET A 122 62.989 13.230 55.684 1.00 32.17 H new ATOM 0 HA MET A 122 60.782 14.558 55.769 1.00 32.27 H new ATOM 0 HB2 MET A 122 61.059 12.142 55.533 1.00 37.04 H new ATOM 0 HB3 MET A 122 61.119 12.091 57.090 1.00 37.04 H new ATOM 0 HG2 MET A 122 58.964 11.587 56.372 1.00 46.19 H new ATOM 0 HG3 MET A 122 58.937 12.881 57.241 1.00 46.19 H new ATOM 0 HE1 MET A 122 57.101 15.191 55.272 1.00 39.19 H new ATOM 0 HE2 MET A 122 56.950 14.212 56.508 1.00 39.19 H new ATOM 0 HE3 MET A 122 58.204 15.174 56.408 1.00 39.19 H new ATOM 905 N GLU A 123 62.138 14.107 58.641 1.00 33.38 N ATOM 906 CA GLU A 123 62.147 14.593 60.009 1.00 34.58 C ATOM 907 C GLU A 123 62.461 16.085 60.100 1.00 29.86 C ATOM 908 O GLU A 123 61.898 16.788 60.934 1.00 30.90 O ATOM 909 CB GLU A 123 63.108 13.747 60.873 1.00 29.57 C ATOM 910 CG GLU A 123 62.528 12.338 61.167 1.00 36.48 C ATOM 911 CD GLU A 123 63.414 11.490 62.072 1.00 44.05 C ATOM 912 OE1 GLU A 123 64.645 11.655 62.004 1.00 41.41 O ATOM 913 OE2 GLU A 123 62.876 10.660 62.839 1.00 47.60 O ATOM 0 H GLU A 123 62.740 13.521 58.457 1.00 33.38 H new ATOM 0 HA GLU A 123 61.249 14.490 60.362 1.00 34.58 H new ATOM 0 HB2 GLU A 123 63.959 13.658 60.417 1.00 29.57 H new ATOM 0 HB3 GLU A 123 63.281 14.207 61.709 1.00 29.57 H new ATOM 0 HG2 GLU A 123 61.656 12.435 61.580 1.00 36.48 H new ATOM 0 HG3 GLU A 123 62.394 11.870 60.328 1.00 36.48 H new ATOM 914 N SER A 124 63.347 16.573 59.240 1.00 29.10 N ATOM 915 CA SER A 124 63.697 18.000 59.215 1.00 24.20 C ATOM 916 C SER A 124 62.472 18.870 58.883 1.00 26.75 C ATOM 917 O SER A 124 62.255 19.924 59.469 1.00 27.35 O ATOM 918 CB SER A 124 64.773 18.256 58.162 1.00 31.23 C ATOM 919 OG SER A 124 65.974 17.587 58.501 1.00 45.08 O ATOM 0 H SER A 124 63.762 16.096 58.657 1.00 29.10 H new ATOM 0 HA SER A 124 64.024 18.236 60.097 1.00 24.20 H new ATOM 0 HB2 SER A 124 64.462 17.953 57.295 1.00 31.23 H new ATOM 0 HB3 SER A 124 64.938 19.209 58.087 1.00 31.23 H new ATOM 0 HG SER A 124 65.862 16.757 58.433 1.00 45.08 H new ATOM 920 N LEU A 125 61.675 18.420 57.928 1.00 27.10 N ATOM 921 CA LEU A 125 60.483 19.168 57.554 1.00 32.08 C ATOM 922 C LEU A 125 59.495 19.253 58.737 1.00 32.00 C ATOM 923 O LEU A 125 58.938 20.326 59.027 1.00 31.88 O ATOM 924 CB LEU A 125 59.823 18.501 56.356 1.00 29.56 C ATOM 925 CG LEU A 125 60.618 18.520 55.049 1.00 40.36 C ATOM 926 CD1 LEU A 125 59.882 17.688 54.005 1.00 37.62 C ATOM 927 CD2 LEU A 125 60.790 19.954 54.565 1.00 39.41 C ATOM 0 H LEU A 125 61.802 17.693 57.487 1.00 27.10 H new ATOM 0 HA LEU A 125 60.740 20.072 57.316 1.00 32.08 H new ATOM 0 HB2 LEU A 125 59.636 17.577 56.586 1.00 29.56 H new ATOM 0 HB3 LEU A 125 58.968 18.932 56.199 1.00 29.56 H new ATOM 0 HG LEU A 125 61.499 18.141 55.196 1.00 40.36 H new ATOM 0 HD11 LEU A 125 60.381 17.696 53.174 1.00 37.62 H new ATOM 0 HD12 LEU A 125 59.796 16.775 54.321 1.00 37.62 H new ATOM 0 HD13 LEU A 125 59.000 18.063 53.855 1.00 37.62 H new ATOM 0 HD21 LEU A 125 61.295 19.958 53.737 1.00 39.41 H new ATOM 0 HD22 LEU A 125 59.918 20.352 54.414 1.00 39.41 H new ATOM 0 HD23 LEU A 125 61.267 20.467 55.236 1.00 39.41 H new ATOM 928 N LEU A 126 59.299 18.124 59.424 1.00 30.82 N ATOM 929 CA LEU A 126 58.391 18.076 60.573 1.00 30.75 C ATOM 930 C LEU A 126 58.945 19.055 61.588 1.00 35.49 C ATOM 931 O LEU A 126 58.198 19.789 62.245 1.00 33.34 O ATOM 932 CB LEU A 126 58.332 16.656 61.157 1.00 26.11 C ATOM 933 CG LEU A 126 57.753 15.656 60.151 1.00 37.01 C ATOM 934 CD1 LEU A 126 57.684 14.252 60.716 1.00 31.98 C ATOM 935 CD2 LEU A 126 56.361 16.137 59.757 1.00 30.23 C ATOM 0 H LEU A 126 59.682 17.376 59.241 1.00 30.82 H new ATOM 0 HA LEU A 126 57.485 18.311 60.319 1.00 30.75 H new ATOM 0 HB2 LEU A 126 59.223 16.375 61.417 1.00 26.11 H new ATOM 0 HB3 LEU A 126 57.789 16.658 61.961 1.00 26.11 H new ATOM 0 HG LEU A 126 58.336 15.614 59.377 1.00 37.01 H new ATOM 0 HD11 LEU A 126 57.313 13.653 60.050 1.00 31.98 H new ATOM 0 HD12 LEU A 126 58.576 13.956 60.956 1.00 31.98 H new ATOM 0 HD13 LEU A 126 57.119 14.248 61.504 1.00 31.98 H new ATOM 0 HD21 LEU A 126 55.973 15.518 59.119 1.00 30.23 H new ATOM 0 HD22 LEU A 126 55.799 16.182 60.546 1.00 30.23 H new ATOM 0 HD23 LEU A 126 56.424 17.018 59.355 1.00 30.23 H new ATOM 936 N GLY A 127 60.275 19.081 61.684 1.00 29.40 N ATOM 937 CA GLY A 127 60.919 19.998 62.597 1.00 29.55 C ATOM 938 C GLY A 127 60.618 21.438 62.188 1.00 35.05 C ATOM 939 O GLY A 127 60.291 22.262 63.033 1.00 38.06 O ATOM 0 H GLY A 127 60.809 18.580 61.233 1.00 29.40 H new ATOM 0 HA2 GLY A 127 60.607 19.839 63.501 1.00 29.55 H new ATOM 0 HA3 GLY A 127 61.877 19.847 62.597 1.00 29.55 H new ATOM 940 N ALA A 128 60.717 21.751 60.900 1.00 28.96 N ATOM 941 CA ALA A 128 60.456 23.114 60.461 1.00 36.05 C ATOM 942 C ALA A 128 58.990 23.494 60.701 1.00 32.91 C ATOM 943 O ALA A 128 58.698 24.584 61.173 1.00 34.34 O ATOM 944 CB ALA A 128 60.805 23.270 58.980 1.00 33.53 C ATOM 0 H ALA A 128 60.930 21.199 60.276 1.00 28.96 H new ATOM 0 HA ALA A 128 61.015 23.712 60.981 1.00 36.05 H new ATOM 0 HB1 ALA A 128 60.627 24.181 58.700 1.00 33.53 H new ATOM 0 HB2 ALA A 128 61.744 23.068 58.846 1.00 33.53 H new ATOM 0 HB3 ALA A 128 60.265 22.659 58.454 1.00 33.53 H new ATOM 945 N ILE A 129 58.075 22.588 60.380 1.00 36.38 N ATOM 946 CA ILE A 129 56.660 22.863 60.580 1.00 34.97 C ATOM 947 C ILE A 129 56.352 23.192 62.026 1.00 41.29 C ATOM 948 O ILE A 129 55.670 24.184 62.325 1.00 39.12 O ATOM 949 CB ILE A 129 55.813 21.681 60.154 1.00 35.60 C ATOM 950 CG1 ILE A 129 55.887 21.546 58.632 1.00 29.77 C ATOM 951 CG2 ILE A 129 54.397 21.864 60.648 1.00 39.22 C ATOM 952 CD1 ILE A 129 55.304 20.284 58.058 1.00 28.45 C ATOM 0 H ILE A 129 58.251 21.814 60.048 1.00 36.38 H new ATOM 0 HA ILE A 129 56.445 23.633 60.031 1.00 34.97 H new ATOM 0 HB ILE A 129 56.147 20.859 60.545 1.00 35.60 H new ATOM 0 HG12 ILE A 129 55.430 22.303 58.234 1.00 29.77 H new ATOM 0 HG13 ILE A 129 56.817 21.604 58.364 1.00 29.77 H new ATOM 0 HG21 ILE A 129 53.858 21.106 60.374 1.00 39.22 H new ATOM 0 HG22 ILE A 129 54.397 21.927 61.616 1.00 39.22 H new ATOM 0 HG23 ILE A 129 54.025 22.677 60.272 1.00 39.22 H new ATOM 0 HD11 ILE A 129 55.399 20.293 57.093 1.00 28.45 H new ATOM 0 HD12 ILE A 129 55.773 19.516 58.421 1.00 28.45 H new ATOM 0 HD13 ILE A 129 54.364 20.227 58.290 1.00 28.45 H new ATOM 953 N TYR A 130 56.883 22.378 62.927 1.00 35.87 N ATOM 954 CA TYR A 130 56.667 22.587 64.345 1.00 32.96 C ATOM 955 C TYR A 130 57.273 23.908 64.784 1.00 38.01 C ATOM 956 O TYR A 130 56.722 24.607 65.635 1.00 37.88 O ATOM 957 CB TYR A 130 57.335 21.471 65.142 1.00 36.06 C ATOM 958 CG TYR A 130 57.295 21.662 66.640 1.00 30.73 C ATOM 959 CD1 TYR A 130 56.270 21.109 67.406 1.00 30.16 C ATOM 960 CD2 TYR A 130 58.310 22.341 67.296 1.00 24.73 C ATOM 961 CE1 TYR A 130 56.271 21.226 68.806 1.00 26.59 C ATOM 962 CE2 TYR A 130 58.325 22.459 68.678 1.00 28.31 C ATOM 963 CZ TYR A 130 57.301 21.897 69.432 1.00 30.71 C ATOM 964 OH TYR A 130 57.323 21.989 70.810 1.00 30.93 O ATOM 0 H TYR A 130 57.373 21.697 62.735 1.00 35.87 H new ATOM 0 HA TYR A 130 55.711 22.593 64.507 1.00 32.96 H new ATOM 0 HB2 TYR A 130 56.904 20.630 64.923 1.00 36.06 H new ATOM 0 HB3 TYR A 130 58.261 21.398 64.861 1.00 36.06 H new ATOM 0 HD1 TYR A 130 55.576 20.656 66.984 1.00 30.16 H new ATOM 0 HD2 TYR A 130 58.995 22.726 66.799 1.00 24.73 H new ATOM 0 HE1 TYR A 130 55.582 20.854 69.307 1.00 26.59 H new ATOM 0 HE2 TYR A 130 59.019 22.913 69.099 1.00 28.31 H new ATOM 0 HH TYR A 130 58.002 22.420 71.051 1.00 30.93 H new ATOM 965 N LEU A 131 58.421 24.252 64.216 1.00 32.23 N ATOM 966 CA LEU A 131 59.081 25.484 64.614 1.00 35.88 C ATOM 967 C LEU A 131 58.283 26.701 64.166 1.00 33.59 C ATOM 968 O LEU A 131 58.096 27.677 64.912 1.00 36.34 O ATOM 969 CB LEU A 131 60.491 25.532 64.024 1.00 37.60 C ATOM 970 CG LEU A 131 61.385 26.626 64.596 1.00 44.29 C ATOM 971 CD1 LEU A 131 61.561 26.389 66.096 1.00 46.31 C ATOM 972 CD2 LEU A 131 62.763 26.589 63.890 1.00 41.77 C ATOM 0 H LEU A 131 58.827 23.796 63.610 1.00 32.23 H new ATOM 0 HA LEU A 131 59.138 25.501 65.582 1.00 35.88 H new ATOM 0 HB2 LEU A 131 60.918 24.673 64.169 1.00 37.60 H new ATOM 0 HB3 LEU A 131 60.423 25.656 63.064 1.00 37.60 H new ATOM 0 HG LEU A 131 60.980 27.495 64.451 1.00 44.29 H new ATOM 0 HD11 LEU A 131 62.129 27.081 66.469 1.00 46.31 H new ATOM 0 HD12 LEU A 131 60.695 26.413 66.531 1.00 46.31 H new ATOM 0 HD13 LEU A 131 61.971 25.522 66.241 1.00 46.31 H new ATOM 0 HD21 LEU A 131 63.332 27.285 64.254 1.00 41.77 H new ATOM 0 HD22 LEU A 131 63.178 25.724 64.035 1.00 41.77 H new ATOM 0 HD23 LEU A 131 62.643 26.734 62.938 1.00 41.77 H new ATOM 973 N GLN A 132 57.783 26.610 62.949 1.00 32.82 N ATOM 974 CA GLN A 132 57.039 27.709 62.362 1.00 44.28 C ATOM 975 C GLN A 132 55.609 27.850 62.893 1.00 48.80 C ATOM 976 O GLN A 132 55.148 28.964 63.163 1.00 45.03 O ATOM 977 CB GLN A 132 57.001 27.548 60.832 1.00 36.88 C ATOM 978 CG GLN A 132 56.527 28.760 60.042 1.00 43.70 C ATOM 979 CD GLN A 132 57.383 29.989 60.298 1.00 46.55 C ATOM 980 OE1 GLN A 132 58.586 29.865 60.520 1.00 53.30 O ATOM 981 NE2 GLN A 132 56.769 31.179 60.253 1.00 56.57 N ATOM 0 H GLN A 132 57.863 25.919 62.443 1.00 32.82 H new ATOM 0 HA GLN A 132 57.508 28.519 62.618 1.00 44.28 H new ATOM 0 HB2 GLN A 132 57.892 27.315 60.527 1.00 36.88 H new ATOM 0 HB3 GLN A 132 56.423 26.799 60.618 1.00 36.88 H new ATOM 0 HG2 GLN A 132 56.541 28.551 59.095 1.00 43.70 H new ATOM 0 HG3 GLN A 132 55.606 28.956 60.276 1.00 43.70 H new ATOM 0 HE21 GLN A 132 55.925 31.222 60.094 1.00 56.57 H new ATOM 0 HE22 GLN A 132 57.219 31.900 60.383 1.00 56.57 H new ATOM 982 N HIS A 133 54.932 26.725 63.084 1.00 48.77 N ATOM 983 CA HIS A 133 53.546 26.764 63.493 1.00 52.13 C ATOM 984 C HIS A 133 53.174 26.320 64.907 1.00 55.52 C ATOM 985 O HIS A 133 52.231 26.859 65.491 1.00 55.23 O ATOM 986 CB HIS A 133 52.750 25.969 62.475 1.00 52.02 C ATOM 987 CG HIS A 133 52.986 26.392 61.059 1.00 59.26 C ATOM 988 ND1 HIS A 133 52.804 27.689 60.621 1.00 60.33 N ATOM 989 CD2 HIS A 133 53.375 25.685 59.967 1.00 62.49 C ATOM 990 CE1 HIS A 133 53.069 27.760 59.330 1.00 56.54 C ATOM 991 NE2 HIS A 133 53.418 26.557 58.909 1.00 61.91 N ATOM 0 H HIS A 133 55.258 25.936 62.982 1.00 48.77 H new ATOM 0 HA HIS A 133 53.332 27.710 63.525 1.00 52.13 H new ATOM 0 HB2 HIS A 133 52.974 25.029 62.564 1.00 52.02 H new ATOM 0 HB3 HIS A 133 51.805 26.056 62.676 1.00 52.02 H new ATOM 0 HD2 HIS A 133 53.575 24.777 59.941 1.00 62.49 H new ATOM 0 HE1 HIS A 133 53.019 28.526 58.806 1.00 56.54 H new ATOM 0 HE2 HIS A 133 53.637 26.354 58.102 1.00 61.91 H new ATOM 992 N GLY A 134 53.900 25.357 65.469 1.00 52.15 N ATOM 993 CA GLY A 134 53.564 24.907 66.808 1.00 39.62 C ATOM 994 C GLY A 134 53.090 23.463 66.814 1.00 38.94 C ATOM 995 O GLY A 134 52.767 22.892 65.773 1.00 33.56 O ATOM 0 H GLY A 134 54.571 24.963 65.102 1.00 52.15 H new ATOM 0 HA2 GLY A 134 54.340 24.995 67.383 1.00 39.62 H new ATOM 0 HA3 GLY A 134 52.871 25.477 67.177 1.00 39.62 H new ATOM 996 N MET A 135 53.031 22.875 68.003 1.00 43.19 N ATOM 997 CA MET A 135 52.653 21.475 68.175 1.00 42.38 C ATOM 998 C MET A 135 51.362 20.977 67.518 1.00 43.13 C ATOM 999 O MET A 135 51.366 19.962 66.825 1.00 46.99 O ATOM 1000 CB MET A 135 52.610 21.150 69.678 1.00 45.82 C ATOM 1001 CG MET A 135 52.345 19.666 70.022 1.00 52.27 C ATOM 1002 SD MET A 135 53.698 18.536 69.452 1.00 44.72 S ATOM 1003 CE MET A 135 52.817 16.846 69.513 1.00 51.21 C ATOM 0 H MET A 135 53.211 23.280 68.740 1.00 43.19 H new ATOM 0 HA MET A 135 53.344 20.998 67.689 1.00 42.38 H new ATOM 0 HB2 MET A 135 53.454 21.414 70.076 1.00 45.82 H new ATOM 0 HB3 MET A 135 51.920 21.692 70.092 1.00 45.82 H new ATOM 0 HG2 MET A 135 52.239 19.576 70.982 1.00 52.27 H new ATOM 0 HG3 MET A 135 51.508 19.390 69.617 1.00 52.27 H new ATOM 0 HE1 MET A 135 53.431 16.150 69.231 1.00 51.21 H new ATOM 0 HE2 MET A 135 52.521 16.668 70.419 1.00 51.21 H new ATOM 0 HE3 MET A 135 52.050 16.859 68.920 1.00 51.21 H new ATOM 1004 N GLU A 136 50.245 21.663 67.719 1.00 47.05 N ATOM 1005 CA GLU A 136 48.995 21.146 67.153 1.00 45.17 C ATOM 1006 C GLU A 136 48.953 21.036 65.637 1.00 42.04 C ATOM 1007 O GLU A 136 48.439 20.053 65.078 1.00 38.80 O ATOM 1008 CB GLU A 136 47.823 21.958 67.695 1.00 53.70 C ATOM 1009 CG GLU A 136 47.809 21.987 69.233 1.00 57.59 C ATOM 1010 CD GLU A 136 47.932 20.592 69.878 1.00 67.90 C ATOM 1011 OE1 GLU A 136 48.359 20.516 71.056 1.00 62.89 O ATOM 1012 OE2 GLU A 136 47.607 19.575 69.221 1.00 66.13 O ATOM 0 H GLU A 136 50.182 22.399 68.160 1.00 47.05 H new ATOM 0 HA GLU A 136 48.931 20.223 67.443 1.00 45.17 H new ATOM 0 HB2 GLU A 136 47.874 22.865 67.355 1.00 53.70 H new ATOM 0 HB3 GLU A 136 46.991 21.580 67.371 1.00 53.70 H new ATOM 0 HG2 GLU A 136 48.539 22.545 69.545 1.00 57.59 H new ATOM 0 HG3 GLU A 136 46.986 22.403 69.534 1.00 57.59 H new ATOM 1013 N LYS A 137 49.509 22.027 64.953 1.00 47.72 N ATOM 1014 CA LYS A 137 49.545 21.971 63.499 1.00 43.98 C ATOM 1015 C LYS A 137 50.481 20.833 63.079 1.00 43.17 C ATOM 1016 O LYS A 137 50.149 20.031 62.194 1.00 45.38 O ATOM 1017 CB LYS A 137 50.022 23.307 62.923 1.00 51.52 C ATOM 1018 CG LYS A 137 50.204 23.277 61.413 1.00 54.94 C ATOM 1019 CD LYS A 137 48.958 22.802 60.667 1.00 57.27 C ATOM 1020 CE LYS A 137 47.807 23.802 60.802 1.00 63.62 C ATOM 1021 NZ LYS A 137 46.693 23.461 59.872 1.00 65.37 N ATOM 0 H LYS A 137 49.864 22.728 65.303 1.00 47.72 H new ATOM 0 HA LYS A 137 48.654 21.804 63.153 1.00 43.98 H new ATOM 0 HB2 LYS A 137 49.382 23.999 63.152 1.00 51.52 H new ATOM 0 HB3 LYS A 137 50.863 23.550 63.340 1.00 51.52 H new ATOM 0 HG2 LYS A 137 50.440 24.166 61.104 1.00 54.94 H new ATOM 0 HG3 LYS A 137 50.947 22.693 61.194 1.00 54.94 H new ATOM 0 HD2 LYS A 137 49.170 22.676 59.729 1.00 57.27 H new ATOM 0 HD3 LYS A 137 48.681 21.940 61.014 1.00 57.27 H new ATOM 0 HE2 LYS A 137 47.481 23.804 61.716 1.00 63.62 H new ATOM 0 HE3 LYS A 137 48.128 24.698 60.613 1.00 63.62 H new ATOM 0 HZ1 LYS A 137 46.068 24.093 59.913 1.00 65.37 H new ATOM 0 HZ2 LYS A 137 47.006 23.408 59.041 1.00 65.37 H new ATOM 0 HZ3 LYS A 137 46.340 22.678 60.106 1.00 65.37 H new ATOM 1022 N ALA A 138 51.645 20.746 63.724 1.00 40.92 N ATOM 1023 CA ALA A 138 52.579 19.670 63.402 1.00 37.49 C ATOM 1024 C ALA A 138 51.863 18.363 63.655 1.00 33.85 C ATOM 1025 O ALA A 138 51.975 17.424 62.872 1.00 33.80 O ATOM 1026 CB ALA A 138 53.844 19.767 64.271 1.00 37.51 C ATOM 0 H ALA A 138 51.908 21.288 64.338 1.00 40.92 H new ATOM 0 HA ALA A 138 52.861 19.733 62.476 1.00 37.49 H new ATOM 0 HB1 ALA A 138 54.450 19.045 64.042 1.00 37.51 H new ATOM 0 HB2 ALA A 138 54.281 20.618 64.112 1.00 37.51 H new ATOM 0 HB3 ALA A 138 53.600 19.699 65.207 1.00 37.51 H new ATOM 1027 N ARG A 139 51.108 18.304 64.751 1.00 36.65 N ATOM 1028 CA ARG A 139 50.369 17.088 65.076 1.00 39.59 C ATOM 1029 C ARG A 139 49.454 16.708 63.908 1.00 43.38 C ATOM 1030 O ARG A 139 49.492 15.576 63.419 1.00 39.85 O ATOM 1031 CB ARG A 139 49.527 17.283 66.346 1.00 47.95 C ATOM 1032 CG ARG A 139 49.082 15.962 66.955 1.00 46.88 C ATOM 1033 CD ARG A 139 47.974 16.113 67.990 1.00 42.45 C ATOM 1034 NE ARG A 139 48.415 16.785 69.202 1.00 42.17 N ATOM 1035 CZ ARG A 139 49.173 16.228 70.145 1.00 48.13 C ATOM 1036 NH1 ARG A 139 49.585 14.966 70.028 1.00 50.85 N ATOM 1037 NH2 ARG A 139 49.527 16.945 71.201 1.00 38.10 N ATOM 0 H ARG A 139 51.011 18.949 65.312 1.00 36.65 H new ATOM 0 HA ARG A 139 51.008 16.376 65.235 1.00 39.59 H new ATOM 0 HB2 ARG A 139 50.043 17.780 67.000 1.00 47.95 H new ATOM 0 HB3 ARG A 139 48.746 17.818 66.134 1.00 47.95 H new ATOM 0 HG2 ARG A 139 48.775 15.374 66.247 1.00 46.88 H new ATOM 0 HG3 ARG A 139 49.846 15.532 67.370 1.00 46.88 H new ATOM 0 HD2 ARG A 139 47.239 16.611 67.599 1.00 42.45 H new ATOM 0 HD3 ARG A 139 47.631 15.235 68.220 1.00 42.45 H new ATOM 0 HE ARG A 139 48.169 17.601 69.318 1.00 42.17 H new ATOM 0 HH11 ARG A 139 49.362 14.503 69.339 1.00 50.85 H new ATOM 0 HH12 ARG A 139 50.074 14.615 70.642 1.00 50.85 H new ATOM 0 HH21 ARG A 139 49.268 17.762 71.273 1.00 38.10 H new ATOM 0 HH22 ARG A 139 50.016 16.594 71.815 1.00 38.10 H new ATOM 1038 N GLU A 140 48.639 17.665 63.460 1.00 45.33 N ATOM 1039 CA GLU A 140 47.724 17.432 62.335 1.00 47.60 C ATOM 1040 C GLU A 140 48.460 16.828 61.167 1.00 50.47 C ATOM 1041 O GLU A 140 48.153 15.721 60.708 1.00 54.38 O ATOM 1042 CB GLU A 140 47.121 18.733 61.799 1.00 55.04 C ATOM 1043 CG GLU A 140 46.423 19.636 62.782 1.00 66.20 C ATOM 1044 CD GLU A 140 45.754 20.809 62.075 1.00 71.75 C ATOM 1045 OE1 GLU A 140 45.453 21.817 62.752 1.00 69.68 O ATOM 1046 OE2 GLU A 140 45.528 20.714 60.842 1.00 62.84 O ATOM 0 H GLU A 140 48.599 18.457 63.793 1.00 45.33 H new ATOM 0 HA GLU A 140 47.033 16.846 62.681 1.00 47.60 H new ATOM 0 HB2 GLU A 140 47.832 19.241 61.379 1.00 55.04 H new ATOM 0 HB3 GLU A 140 46.487 18.503 61.102 1.00 55.04 H new ATOM 0 HG2 GLU A 140 45.758 19.130 63.274 1.00 66.20 H new ATOM 0 HG3 GLU A 140 47.063 19.969 63.430 1.00 66.20 H new ATOM 1047 N VAL A 141 49.436 17.590 60.672 1.00 47.02 N ATOM 1048 CA VAL A 141 50.204 17.159 59.524 1.00 41.93 C ATOM 1049 C VAL A 141 50.688 15.739 59.713 1.00 39.74 C ATOM 1050 O VAL A 141 50.513 14.896 58.839 1.00 43.87 O ATOM 1051 CB VAL A 141 51.410 18.085 59.280 1.00 42.19 C ATOM 1052 CG1 VAL A 141 52.179 17.601 58.086 1.00 41.51 C ATOM 1053 CG2 VAL A 141 50.940 19.517 59.066 1.00 40.83 C ATOM 0 H VAL A 141 49.663 18.356 60.991 1.00 47.02 H new ATOM 0 HA VAL A 141 49.621 17.200 58.750 1.00 41.93 H new ATOM 0 HB VAL A 141 51.989 18.068 60.058 1.00 42.19 H new ATOM 0 HG11 VAL A 141 52.939 18.184 57.932 1.00 41.51 H new ATOM 0 HG12 VAL A 141 52.493 16.698 58.248 1.00 41.51 H new ATOM 0 HG13 VAL A 141 51.603 17.608 57.305 1.00 41.51 H new ATOM 0 HG21 VAL A 141 51.707 20.090 58.914 1.00 40.83 H new ATOM 0 HG22 VAL A 141 50.352 19.553 58.296 1.00 40.83 H new ATOM 0 HG23 VAL A 141 50.461 19.821 59.852 1.00 40.83 H new ATOM 1054 N ILE A 142 51.287 15.467 60.866 1.00 42.89 N ATOM 1055 CA ILE A 142 51.801 14.131 61.142 1.00 40.13 C ATOM 1056 C ILE A 142 50.677 13.084 61.213 1.00 40.30 C ATOM 1057 O ILE A 142 50.816 11.984 60.681 1.00 39.38 O ATOM 1058 CB ILE A 142 52.618 14.118 62.472 1.00 38.33 C ATOM 1059 CG1 ILE A 142 53.920 14.930 62.291 1.00 38.49 C ATOM 1060 CG2 ILE A 142 52.920 12.673 62.879 1.00 31.27 C ATOM 1061 CD1 ILE A 142 54.613 15.359 63.602 1.00 35.18 C ATOM 0 H ILE A 142 51.406 16.038 61.498 1.00 42.89 H new ATOM 0 HA ILE A 142 52.384 13.894 60.404 1.00 40.13 H new ATOM 0 HB ILE A 142 52.098 14.530 63.180 1.00 38.33 H new ATOM 0 HG12 ILE A 142 54.544 14.401 61.770 1.00 38.49 H new ATOM 0 HG13 ILE A 142 53.719 15.725 61.773 1.00 38.49 H new ATOM 0 HG21 ILE A 142 53.428 12.669 63.706 1.00 31.27 H new ATOM 0 HG22 ILE A 142 52.087 12.192 63.009 1.00 31.27 H new ATOM 0 HG23 ILE A 142 53.437 12.241 62.181 1.00 31.27 H new ATOM 0 HD11 ILE A 142 55.417 15.861 63.394 1.00 35.18 H new ATOM 0 HD12 ILE A 142 54.010 15.915 64.120 1.00 35.18 H new ATOM 0 HD13 ILE A 142 54.848 14.571 64.117 1.00 35.18 H new ATOM 1062 N LEU A 143 49.565 13.394 61.875 1.00 42.42 N ATOM 1063 CA LEU A 143 48.509 12.386 61.928 1.00 52.10 C ATOM 1064 C LEU A 143 48.077 12.033 60.493 1.00 55.67 C ATOM 1065 O LEU A 143 47.751 10.876 60.201 1.00 61.26 O ATOM 1066 CB LEU A 143 47.324 12.868 62.779 1.00 48.72 C ATOM 1067 CG LEU A 143 47.246 12.387 64.246 1.00 48.85 C ATOM 1068 CD1 LEU A 143 48.316 11.319 64.527 1.00 42.87 C ATOM 1069 CD2 LEU A 143 47.414 13.554 65.185 1.00 40.29 C ATOM 0 H LEU A 143 49.406 14.137 62.278 1.00 42.42 H new ATOM 0 HA LEU A 143 48.849 11.585 62.357 1.00 52.10 H new ATOM 0 HB2 LEU A 143 47.336 13.838 62.784 1.00 48.72 H new ATOM 0 HB3 LEU A 143 46.507 12.596 62.333 1.00 48.72 H new ATOM 0 HG LEU A 143 46.373 11.989 64.392 1.00 48.85 H new ATOM 0 HD11 LEU A 143 48.251 11.031 65.451 1.00 42.87 H new ATOM 0 HD12 LEU A 143 48.177 10.559 63.941 1.00 42.87 H new ATOM 0 HD13 LEU A 143 49.197 11.693 64.367 1.00 42.87 H new ATOM 0 HD21 LEU A 143 47.363 13.242 66.102 1.00 40.29 H new ATOM 0 HD22 LEU A 143 48.277 13.970 65.033 1.00 40.29 H new ATOM 0 HD23 LEU A 143 46.710 14.202 65.025 1.00 40.29 H new ATOM 1070 N ARG A 144 48.127 13.018 59.592 1.00 57.41 N ATOM 1071 CA ARG A 144 47.766 12.794 58.192 1.00 55.38 C ATOM 1072 C ARG A 144 48.790 11.955 57.435 1.00 56.17 C ATOM 1073 O ARG A 144 48.452 10.913 56.889 1.00 58.57 O ATOM 1074 CB ARG A 144 47.563 14.131 57.479 1.00 60.29 C ATOM 1075 CG ARG A 144 47.174 14.012 56.006 1.00 59.92 C ATOM 1076 CD ARG A 144 46.457 15.268 55.537 1.00 59.48 C ATOM 1077 NE ARG A 144 47.221 16.485 55.806 1.00 62.53 N ATOM 1078 CZ ARG A 144 48.389 16.773 55.239 1.00 63.94 C ATOM 1079 NH1 ARG A 144 48.932 15.935 54.362 1.00 56.49 N ATOM 1080 NH2 ARG A 144 49.025 17.890 55.563 1.00 65.21 N ATOM 0 H ARG A 144 48.368 13.823 59.773 1.00 57.41 H new ATOM 0 HA ARG A 144 46.937 12.290 58.198 1.00 55.38 H new ATOM 0 HB2 ARG A 144 46.874 14.631 57.944 1.00 60.29 H new ATOM 0 HB3 ARG A 144 48.382 14.647 57.545 1.00 60.29 H new ATOM 0 HG2 ARG A 144 47.968 13.867 55.468 1.00 59.92 H new ATOM 0 HG3 ARG A 144 46.600 13.240 55.879 1.00 59.92 H new ATOM 0 HD2 ARG A 144 46.285 15.202 54.585 1.00 59.48 H new ATOM 0 HD3 ARG A 144 45.595 15.328 55.977 1.00 59.48 H new ATOM 0 HE ARG A 144 46.895 17.050 56.366 1.00 62.53 H new ATOM 0 HH11 ARG A 144 48.528 15.203 54.159 1.00 56.49 H new ATOM 0 HH12 ARG A 144 49.687 16.124 53.997 1.00 56.49 H new ATOM 0 HH21 ARG A 144 48.682 18.428 56.140 1.00 65.21 H new ATOM 0 HH22 ARG A 144 49.780 18.077 55.197 1.00 65.21 H new ATOM 1081 N LEU A 145 50.046 12.386 57.395 1.00 56.83 N ATOM 1082 CA LEU A 145 51.043 11.599 56.672 1.00 55.80 C ATOM 1083 C LEU A 145 51.262 10.207 57.245 1.00 56.46 C ATOM 1084 O LEU A 145 51.557 9.268 56.507 1.00 55.84 O ATOM 1085 CB LEU A 145 52.401 12.293 56.654 1.00 57.08 C ATOM 1086 CG LEU A 145 52.607 13.568 55.860 1.00 68.22 C ATOM 1087 CD1 LEU A 145 52.470 14.803 56.734 1.00 65.88 C ATOM 1088 CD2 LEU A 145 54.012 13.496 55.304 1.00 71.62 C ATOM 0 H LEU A 145 50.337 13.106 57.765 1.00 56.83 H new ATOM 0 HA LEU A 145 50.677 11.517 55.778 1.00 55.80 H new ATOM 0 HB2 LEU A 145 52.634 12.489 57.575 1.00 57.08 H new ATOM 0 HB3 LEU A 145 53.048 11.647 56.330 1.00 57.08 H new ATOM 0 HG LEU A 145 51.937 13.640 55.162 1.00 68.22 H new ATOM 0 HD11 LEU A 145 52.607 15.598 56.195 1.00 65.88 H new ATOM 0 HD12 LEU A 145 51.582 14.827 57.124 1.00 65.88 H new ATOM 0 HD13 LEU A 145 53.133 14.774 57.442 1.00 65.88 H new ATOM 0 HD21 LEU A 145 54.196 14.294 54.784 1.00 71.62 H new ATOM 0 HD22 LEU A 145 54.647 13.434 56.035 1.00 71.62 H new ATOM 0 HD23 LEU A 145 54.096 12.714 54.736 1.00 71.62 H new ATOM 1089 N PHE A 146 51.149 10.071 58.562 1.00 55.31 N ATOM 1090 CA PHE A 146 51.381 8.776 59.187 1.00 57.50 C ATOM 1091 C PHE A 146 50.096 8.050 59.541 1.00 62.02 C ATOM 1092 O PHE A 146 50.122 6.991 60.167 1.00 65.68 O ATOM 1093 CB PHE A 146 52.248 8.966 60.423 1.00 45.52 C ATOM 1094 CG PHE A 146 53.637 9.420 60.106 1.00 47.26 C ATOM 1095 CD1 PHE A 146 54.685 8.508 60.043 1.00 40.27 C ATOM 1096 CD2 PHE A 146 53.899 10.757 59.847 1.00 42.79 C ATOM 1097 CE1 PHE A 146 55.976 8.916 59.725 1.00 39.98 C ATOM 1098 CE2 PHE A 146 55.190 11.174 59.527 1.00 43.82 C ATOM 1099 CZ PHE A 146 56.230 10.250 59.470 1.00 36.34 C ATOM 0 H PHE A 146 50.942 10.706 59.104 1.00 55.31 H new ATOM 0 HA PHE A 146 51.838 8.215 58.541 1.00 57.50 H new ATOM 0 HB2 PHE A 146 51.828 9.615 61.009 1.00 45.52 H new ATOM 0 HB3 PHE A 146 52.291 8.129 60.912 1.00 45.52 H new ATOM 0 HD1 PHE A 146 54.520 7.609 60.217 1.00 40.27 H new ATOM 0 HD2 PHE A 146 53.209 11.379 59.887 1.00 42.79 H new ATOM 0 HE1 PHE A 146 56.666 8.293 59.684 1.00 39.98 H new ATOM 0 HE2 PHE A 146 55.357 12.072 59.351 1.00 43.82 H new ATOM 0 HZ PHE A 146 57.092 10.530 59.261 1.00 36.34 H new ATOM 1100 N GLY A 147 48.973 8.626 59.127 1.00 64.32 N ATOM 1101 CA GLY A 147 47.685 8.021 59.396 1.00 67.73 C ATOM 1102 C GLY A 147 47.590 6.563 58.987 1.00 67.52 C ATOM 1103 O GLY A 147 46.989 5.772 59.705 1.00 70.61 O ATOM 0 H GLY A 147 48.940 9.366 58.690 1.00 64.32 H new ATOM 0 HA2 GLY A 147 47.496 8.094 60.344 1.00 67.73 H new ATOM 0 HA3 GLY A 147 46.998 8.523 58.930 1.00 67.73 H new ATOM 1104 N PRO A 148 48.159 6.177 57.836 1.00 70.82 N ATOM 1105 CA PRO A 148 48.125 4.797 57.342 1.00 69.87 C ATOM 1106 C PRO A 148 49.079 3.885 58.079 1.00 70.66 C ATOM 1107 O PRO A 148 48.677 2.870 58.634 1.00 77.97 O ATOM 1108 CB PRO A 148 48.533 4.937 55.875 1.00 69.83 C ATOM 1109 CG PRO A 148 48.168 6.343 55.540 1.00 73.36 C ATOM 1110 CD PRO A 148 48.607 7.085 56.769 1.00 76.02 C ATOM 0 HA PRO A 148 47.254 4.391 57.470 1.00 69.87 H new ATOM 0 HB2 PRO A 148 49.482 4.776 55.752 1.00 69.83 H new ATOM 0 HB3 PRO A 148 48.062 4.303 55.312 1.00 69.83 H new ATOM 0 HG2 PRO A 148 48.626 6.657 54.744 1.00 73.36 H new ATOM 0 HG3 PRO A 148 47.217 6.442 55.377 1.00 73.36 H new ATOM 0 HD2 PRO A 148 49.567 7.225 56.788 1.00 76.02 H new ATOM 0 HD3 PRO A 148 48.192 7.959 56.835 1.00 76.02 H new ATOM 1111 N LEU A 149 50.355 4.247 58.049 1.00 69.84 N ATOM 1112 CA LEU A 149 51.406 3.483 58.700 1.00 67.15 C ATOM 1113 C LEU A 149 50.961 3.130 60.125 1.00 68.71 C ATOM 1114 O LEU A 149 51.319 2.076 60.667 1.00 62.65 O ATOM 1115 CB LEU A 149 52.687 4.317 58.708 1.00 62.55 C ATOM 1116 CG LEU A 149 53.999 3.547 58.700 1.00 61.49 C ATOM 1117 CD1 LEU A 149 53.952 2.443 57.668 1.00 61.82 C ATOM 1118 CD2 LEU A 149 55.124 4.506 58.409 1.00 64.91 C ATOM 0 H LEU A 149 50.637 4.952 57.645 1.00 69.84 H new ATOM 0 HA LEU A 149 51.578 2.657 58.222 1.00 67.15 H new ATOM 0 HB2 LEU A 149 52.673 4.902 57.934 1.00 62.55 H new ATOM 0 HB3 LEU A 149 52.674 4.886 59.493 1.00 62.55 H new ATOM 0 HG LEU A 149 54.145 3.136 59.567 1.00 61.49 H new ATOM 0 HD11 LEU A 149 54.793 1.960 57.672 1.00 61.82 H new ATOM 0 HD12 LEU A 149 53.228 1.833 57.879 1.00 61.82 H new ATOM 0 HD13 LEU A 149 53.805 2.827 56.790 1.00 61.82 H new ATOM 0 HD21 LEU A 149 55.966 4.025 58.402 1.00 64.91 H new ATOM 0 HD22 LEU A 149 54.981 4.920 57.543 1.00 64.91 H new ATOM 0 HD23 LEU A 149 55.150 5.192 59.094 1.00 64.91 H new ATOM 1119 N LEU A 150 50.163 4.017 60.718 1.00 68.21 N ATOM 1120 CA LEU A 150 49.634 3.799 62.055 1.00 68.15 C ATOM 1121 C LEU A 150 48.698 2.589 62.059 1.00 72.27 C ATOM 1122 O LEU A 150 48.934 1.622 62.788 1.00 71.24 O ATOM 1123 CB LEU A 150 48.869 5.038 62.544 1.00 60.47 C ATOM 1124 CG LEU A 150 49.694 6.150 63.200 1.00 61.40 C ATOM 1125 CD1 LEU A 150 48.796 7.272 63.692 1.00 52.04 C ATOM 1126 CD2 LEU A 150 50.473 5.559 64.357 1.00 56.22 C ATOM 0 H LEU A 150 49.916 4.757 60.356 1.00 68.21 H new ATOM 0 HA LEU A 150 50.380 3.634 62.653 1.00 68.15 H new ATOM 0 HB2 LEU A 150 48.397 5.419 61.787 1.00 60.47 H new ATOM 0 HB3 LEU A 150 48.197 4.746 63.180 1.00 60.47 H new ATOM 0 HG LEU A 150 50.305 6.524 62.546 1.00 61.40 H new ATOM 0 HD11 LEU A 150 49.338 7.964 64.103 1.00 52.04 H new ATOM 0 HD12 LEU A 150 48.307 7.647 62.943 1.00 52.04 H new ATOM 0 HD13 LEU A 150 48.169 6.923 64.345 1.00 52.04 H new ATOM 0 HD21 LEU A 150 51.000 6.254 64.781 1.00 56.22 H new ATOM 0 HD22 LEU A 150 49.856 5.182 65.004 1.00 56.22 H new ATOM 0 HD23 LEU A 150 51.062 4.862 64.028 1.00 56.22 H new ATOM 1127 N ASP A 151 47.639 2.649 61.247 1.00 71.79 N ATOM 1128 CA ASP A 151 46.662 1.564 61.171 1.00 70.69 C ATOM 1129 C ASP A 151 47.337 0.259 60.842 1.00 71.73 C ATOM 1130 O ASP A 151 46.845 -0.812 61.183 1.00 72.26 O ATOM 1131 CB ASP A 151 45.605 1.849 60.110 1.00 66.00 C ATOM 1132 CG ASP A 151 44.941 3.192 60.296 1.00 71.72 C ATOM 1133 OD1 ASP A 151 44.564 3.526 61.439 1.00 70.48 O ATOM 1134 OD2 ASP A 151 44.786 3.913 59.291 1.00 70.19 O ATOM 0 H ASP A 151 47.469 3.315 60.730 1.00 71.79 H new ATOM 0 HA ASP A 151 46.236 1.501 62.040 1.00 70.69 H new ATOM 0 HB2 ASP A 151 46.016 1.814 59.232 1.00 66.00 H new ATOM 0 HB3 ASP A 151 44.930 1.152 60.135 1.00 66.00 H new ATOM 1135 N ALA A 152 48.473 0.356 60.172 1.00 76.08 N ATOM 1136 CA ALA A 152 49.225 -0.825 59.779 1.00 81.09 C ATOM 1137 C ALA A 152 49.969 -1.424 60.966 1.00 82.39 C ATOM 1138 O ALA A 152 50.017 -2.646 61.130 1.00 82.20 O ATOM 1139 CB ALA A 152 50.220 -0.463 58.661 1.00 82.13 C ATOM 0 H ALA A 152 48.829 1.101 59.933 1.00 76.08 H new ATOM 0 HA ALA A 152 48.598 -1.489 59.451 1.00 81.09 H new ATOM 0 HB1 ALA A 152 50.719 -1.254 58.403 1.00 82.13 H new ATOM 0 HB2 ALA A 152 49.735 -0.122 57.893 1.00 82.13 H new ATOM 0 HB3 ALA A 152 50.834 0.216 58.982 1.00 82.13 H new ATOM 1140 N ALA A 153 50.544 -0.552 61.790 1.00 82.32 N ATOM 1141 CA ALA A 153 51.320 -0.973 62.952 1.00 80.75 C ATOM 1142 C ALA A 153 50.746 -2.165 63.724 1.00 77.40 C ATOM 1143 O ALA A 153 51.488 -3.084 64.072 1.00 67.56 O ATOM 1144 CB ALA A 153 51.531 0.213 63.893 1.00 81.77 C ATOM 0 H ALA A 153 50.495 0.301 61.691 1.00 82.32 H new ATOM 0 HA ALA A 153 52.166 -1.288 62.596 1.00 80.75 H new ATOM 0 HB1 ALA A 153 52.047 -0.073 64.663 1.00 81.77 H new ATOM 0 HB2 ALA A 153 52.010 0.916 63.426 1.00 81.77 H new ATOM 0 HB3 ALA A 153 50.670 0.550 64.188 1.00 81.77 H new ATOM 1145 N PRO A 154 49.426 -2.167 64.000 1.00 78.62 N ATOM 1146 CA PRO A 154 48.791 -3.268 64.737 1.00 83.62 C ATOM 1147 C PRO A 154 49.025 -4.671 64.160 1.00 89.78 C ATOM 1148 O PRO A 154 48.762 -5.670 64.832 1.00 91.71 O ATOM 1149 CB PRO A 154 47.315 -2.876 64.731 1.00 82.05 C ATOM 1150 CG PRO A 154 47.377 -1.388 64.784 1.00 79.36 C ATOM 1151 CD PRO A 154 48.455 -1.083 63.764 1.00 78.94 C ATOM 0 HA PRO A 154 49.175 -3.361 65.623 1.00 83.62 H new ATOM 0 HB2 PRO A 154 46.861 -3.190 63.934 1.00 82.05 H new ATOM 0 HB3 PRO A 154 46.840 -3.245 65.492 1.00 82.05 H new ATOM 0 HG2 PRO A 154 46.529 -0.980 64.549 1.00 79.36 H new ATOM 0 HG3 PRO A 154 47.612 -1.065 65.668 1.00 79.36 H new ATOM 0 HD2 PRO A 154 48.110 -1.097 62.858 1.00 78.94 H new ATOM 0 HD3 PRO A 154 48.849 -0.208 63.904 1.00 78.94 H new ATOM 1152 N THR A 155 49.525 -4.748 62.929 1.00 92.31 N ATOM 1153 CA THR A 155 49.779 -6.034 62.289 1.00 93.35 C ATOM 1154 C THR A 155 51.242 -6.231 61.890 1.00 94.64 C ATOM 1155 O THR A 155 51.562 -6.021 60.704 1.00 95.71 O ATOM 1156 CB THR A 155 48.905 -6.201 61.044 1.00 95.93 C ATOM 1157 OG1 THR A 155 47.533 -5.974 61.392 1.00 95.25 O ATOM 1158 CG2 THR A 155 49.059 -7.609 60.479 1.00 97.71 C ATOM 0 H THR A 155 49.724 -4.064 62.447 1.00 92.31 H new ATOM 0 HA THR A 155 49.558 -6.706 62.953 1.00 93.35 H new ATOM 0 HB THR A 155 49.184 -5.559 60.373 1.00 95.93 H new ATOM 0 HG1 THR A 155 47.052 -6.064 60.709 1.00 95.25 H new ATOM 0 HG21 THR A 155 48.502 -7.704 59.691 1.00 97.71 H new ATOM 0 HG22 THR A 155 49.986 -7.762 60.239 1.00 97.71 H new ATOM 0 HG23 THR A 155 48.787 -8.258 61.147 1.00 97.71 H new TER 1159 THR A 155 HETATM 1160 CA CA A1001 67.276 11.309 62.850 1.00 71.98 CA HETATM 1161 CA CA A1002 72.624 11.378 61.887 1.00 76.58 CA HETATM 1162 O HOH A1003 59.487 13.089 71.995 0.50 32.38 O HETATM 1163 O HOH A1004 72.009 13.566 61.699 1.00 70.57 O HETATM 1164 O HOH A1005 73.171 10.859 59.487 1.00 88.77 O HETATM 1165 O HOH A1006 75.440 11.560 62.011 1.00 75.59 O HETATM 1166 O HOH A1007 72.244 11.220 64.334 1.00 91.49 O HETATM 1167 O HOH A1008 67.901 12.953 65.083 1.00 48.06 O HETATM 1168 O HOH A1009 65.887 9.276 63.698 1.00 60.21 O HETATM 1169 O HOH A1010 69.897 10.206 63.328 1.00 67.31 O HETATM 1170 O HOH A1011 68.730 22.516 61.109 1.00 24.76 O HETATM 1171 O HOH A1012 65.449 13.989 68.808 1.00 26.63 O HETATM 1172 O HOH A1013 72.337 16.651 56.827 1.00 29.92 O HETATM 1173 O HOH A1014 66.441 26.630 62.614 1.00 31.53 O HETATM 1174 O HOH A1015 68.502 24.902 62.734 1.00 36.98 O HETATM 1175 O HOH A1016 83.449 18.132 46.612 1.00 40.17 O HETATM 1176 O HOH A1017 48.902 12.270 68.357 1.00 37.56 O HETATM 1177 O HOH A1018 60.514 9.796 66.246 1.00 42.10 O HETATM 1178 O HOH A1019 63.673 12.387 70.049 1.00 40.62 O HETATM 1179 O HOH A1020 68.773 14.630 55.025 1.00 44.49 O HETATM 1180 O HOH A1021 72.387 21.715 61.950 1.00 45.81 O HETATM 1181 O HOH A1022 70.750 26.194 61.852 1.00 47.78 O HETATM 1182 O HOH A1023 69.214 15.344 58.346 1.00 44.64 O HETATM 1183 O HOH A1024 68.231 15.618 45.597 1.00 51.35 O HETATM 1184 O HOH A1025 65.877 8.561 66.141 1.00 49.19 O HETATM 1185 O HOH A1026 70.510 28.756 59.952 1.00 52.28 O HETATM 1186 O HOH A1027 71.553 25.918 54.744 1.00 48.78 O HETATM 1187 O HOH A1028 78.649 24.820 42.408 1.00 54.31 O HETATM 1188 O HOH A1029 69.587 29.287 57.875 1.00 75.97 O HETATM 1189 O HOH A1030 59.477 10.142 71.468 1.00 49.51 O HETATM 1190 O HOH A1031 83.175 22.230 47.217 1.00 50.30 O HETATM 1191 O HOH A1032 78.919 14.782 48.165 1.00 56.81 O HETATM 1192 O HOH A1033 80.482 24.873 58.422 1.00 56.10 O HETATM 1193 O HOH A1034 46.596 3.404 63.323 1.00 49.05 O HETATM 1194 O HOH A1035 71.021 13.206 56.578 1.00 53.87 O HETATM 1195 O HOH A1036 64.531 0.628 59.191 1.00 53.76 O HETATM 1196 O HOH A1037 65.767 28.705 61.364 1.00 55.79 O HETATM 1197 O HOH A1038 82.931 21.291 43.976 1.00 50.86 O HETATM 1198 O HOH A1039 42.146 5.923 74.849 1.00 56.14 O HETATM 1199 O HOH A1040 44.015 -1.798 73.091 1.00 54.41 O HETATM 1200 O HOH A1041 68.123 28.856 54.679 1.00 57.72 O HETATM 1201 O HOH A1042 81.105 18.141 48.428 1.00 56.80 O HETATM 1202 O HOH A1043 77.254 18.977 59.848 1.00 58.73 O HETATM 1203 O HOH A1044 49.688 24.015 66.035 1.00 58.48 O HETATM 1204 O HOH A1045 61.131 -0.177 73.930 1.00 63.91 O HETATM 1205 O HOH A1046 44.718 7.587 61.043 1.00 62.64 O HETATM 1206 O HOH A1047 56.171 6.057 39.797 1.00 60.14 O HETATM 1207 O HOH A1048 67.424 27.102 48.156 1.00 58.16 O HETATM 1208 O HOH A1049 61.932 10.425 69.353 1.00 59.60 O HETATM 1209 O HOH A1050 75.683 20.625 44.332 1.00 56.33 O HETATM 1210 O HOH A1051 63.179 2.024 65.134 1.00 70.86 O HETATM 1211 O HOH A1052 81.943 15.813 47.090 1.00 67.86 O HETATM 1212 O HOH A1053 50.517 24.662 69.204 1.00 55.57 O HETATM 1213 O HOH A1054 75.250 23.310 60.490 1.00 59.17 O HETATM 1214 O HOH A1055 64.556 8.969 45.941 1.00 59.44 O HETATM 1215 O HOH A1056 59.248 -2.769 73.728 1.00 63.19 O HETATM 1216 O HOH A1057 65.641 3.100 62.324 1.00 63.45 O HETATM 1217 O HOH A1058 71.061 18.713 44.676 1.00 60.67 O HETATM 1218 O HOH A1059 40.261 3.763 71.874 1.00 64.31 O HETATM 1219 O HOH A1060 62.956 21.977 45.555 1.00 69.14 O HETATM 1220 O HOH A1061 78.745 12.799 62.126 1.00 61.78 O HETATM 1221 O HOH A1062 66.213 13.259 41.809 1.00 67.07 O HETATM 1222 O HOH A1063 58.151 -9.769 76.214 1.00 66.51 O HETATM 1223 O HOH A1064 77.529 27.834 46.243 1.00 62.25 O HETATM 1224 O HOH A1065 50.847 9.289 44.159 1.00 64.19 O HETATM 1225 O HOH A1066 68.207 29.357 60.973 1.00 69.04 O HETATM 1226 O HOH A1067 44.339 24.467 60.200 1.00 65.13 O HETATM 1227 O HOH A1068 64.734 -0.116 67.073 1.00 68.87 O HETATM 1228 O HOH A1069 41.449 0.863 79.704 1.00 59.98 O HETATM 1229 O HOH A1070 73.585 11.219 55.668 1.00 62.76 O HETATM 1230 O HOH A1071 68.022 4.071 67.014 1.00 63.44 O HETATM 1231 O HOH A1072 77.519 23.398 40.555 1.00 74.41 O HETATM 1232 O HOH A1073 60.201 7.658 68.159 1.00 61.70 O HETATM 1233 O HOH A1074 45.634 19.837 67.746 1.00 66.39 O HETATM 1234 O HOH A1075 45.659 22.228 65.202 1.00 63.82 O HETATM 1235 O HOH A1076 67.536 27.273 64.953 1.00 59.32 O HETATM 1236 O HOH A1077 79.923 16.668 50.244 1.00 67.44 O HETATM 1237 O HOH A1078 73.484 29.883 50.824 1.00 73.32 O HETATM 1238 O HOH A1079 59.857 6.512 39.176 1.00 67.39 O HETATM 1239 O HOH A1080 42.501 1.393 57.227 1.00 77.20 O HETATM 1240 O HOH A1081 57.912 36.535 49.764 1.00 70.16 O HETATM 1241 O HOH A1082 43.875 21.643 67.160 1.00 69.06 O HETATM 1242 O HOH A1083 72.578 24.316 61.473 1.00 67.40 O HETATM 1243 O HOH A1084 60.280 16.743 38.948 1.00 68.79 O HETATM 1244 O HOH A1085 52.992 -8.820 69.165 1.00 62.87 O HETATM 1245 O HOH A1086 52.324 -11.005 61.782 1.00 81.08 O HETATM 1246 O HOH A1087 69.019 14.185 42.814 1.00 67.89 O HETATM 1247 O HOH A1088 60.918 -1.345 58.057 1.00 65.70 O HETATM 1248 O HOH A1089 51.794 6.640 56.390 1.00 64.84 O HETATM 1249 O HOH A1090 80.024 23.074 43.698 1.00 73.64 O HETATM 1250 O HOH A1091 77.335 25.882 60.612 1.00 67.26 O HETATM 1251 O HOH A1092 41.728 2.188 67.804 1.00 62.70 O HETATM 1252 O HOH A1093 44.609 19.149 58.853 1.00 67.09 O HETATM 1253 O HOH A1094 43.626 3.011 79.737 1.00 65.28 O HETATM 1254 O HOH A1095 63.067 -6.277 58.206 1.00 76.54 O HETATM 1255 O HOH A1096 63.331 -0.735 63.595 1.00 66.20 O HETATM 1256 O HOH A1097 52.955 34.717 58.307 1.00 69.67 O HETATM 1257 O HOH A1098 71.271 7.725 62.588 1.00 72.84 O HETATM 1258 O HOH A1099 82.697 19.998 45.945 1.00 67.07 O HETATM 1259 O HOH A1100 79.523 13.075 50.320 1.00 67.31 O HETATM 1260 O HOH A1101 68.118 3.711 64.346 1.00 68.91 O HETATM 1261 O HOH A1102 59.441 -2.702 60.464 1.00 63.88 O HETATM 1262 O HOH A1103 75.349 18.599 42.643 1.00 69.77 O HETATM 1263 O HOH A1104 65.573 7.305 61.021 1.00 67.65 O HETATM 1264 O HOH A1105 54.931 17.010 39.660 1.00 79.92 O HETATM 1265 O HOH A1106 72.742 2.842 48.748 1.00 67.01 O HETATM 1266 O HOH A1107 66.894 0.737 61.160 1.00 68.03 O HETATM 1267 O HOH A1108 76.233 2.910 43.728 1.00 60.07 O HETATM 1268 O HOH A1109 76.239 4.944 41.310 1.00 66.03 O HETATM 1269 O HOH A1110 74.744 4.012 47.253 1.00 72.43 O HETATM 1270 O HOH A1111 51.019 32.810 46.323 1.00 67.65 O HETATM 1271 O HOH A1112 49.021 32.386 48.070 1.00 73.28 O HETATM 1272 O HOH A1113 78.504 34.683 57.970 1.00 68.74 O HETATM 1273 O HOH A1114 77.628 30.030 56.257 1.00 76.93 O HETATM 1274 O HOH A1115 54.264 10.460 44.678 1.00 65.99 O HETATM 1275 O HOH A1116 72.516 30.242 61.239 1.00 82.93 O HETATM 1276 O HOH A1117 47.467 19.157 57.173 1.00 74.67 O HETATM 1277 O HOH A1118 61.048 8.652 41.377 1.00 76.74 O HETATM 1278 O HOH A1119 52.548 -12.087 68.390 1.00 66.01 O HETATM 1279 O HOH A1120 65.830 1.324 56.260 1.00 67.24 O HETATM 1280 O HOH A1121 52.782 1.351 54.910 1.00 76.79 O HETATM 1281 O HOH A1122 42.945 5.639 59.765 1.00 77.02 O HETATM 1282 O HOH A1123 65.670 6.734 63.450 1.00 73.24 O HETATM 1283 O HOH A1124 61.642 -4.928 60.495 1.00 75.05 O HETATM 1284 O HOH A1125 52.577 7.508 43.061 1.00 72.33 O HETATM 1285 O HOH A1126 48.421 25.740 58.129 1.00 78.66 O HETATM 1286 O HOH A1127 77.479 21.658 59.876 1.00 70.19 O HETATM 1287 O HOH A1128 64.026 -4.270 61.089 1.00 72.24 O HETATM 1288 O HOH A1129 74.547 29.108 48.284 1.00 81.33 O HETATM 1289 O HOH A1130 54.201 31.638 58.210 1.00 78.03 O HETATM 1290 O HOH A1131 44.786 1.103 80.273 1.00 76.90 O HETATM 1291 O HOH A1132 46.431 24.656 64.385 1.00 77.83 O HETATM 1292 O HOH A1133 51.086 -8.408 71.487 1.00 75.12 O HETATM 1293 O HOH A1134 65.626 22.233 46.448 1.00 73.29 O HETATM 1294 O HOH A1135 55.236 36.384 58.120 1.00 79.51 O HETATM 1295 O HOH A1136 62.041 28.426 49.226 1.00 81.00 O HETATM 1296 O HOH A1137 63.225 35.410 51.851 1.00 74.55 O HETATM 1297 O HOH A1138 51.724 -5.456 69.815 1.00 82.75 O HETATM 1298 O HOH A1139 59.811 -9.527 68.281 1.00 72.50 O HETATM 1299 O HOH A1140 54.436 36.912 55.732 1.00 83.07 O HETATM 1300 O HOH A1141 59.524 27.965 48.512 1.00 86.37 O HETATM 1301 O HOH A1142 61.854 7.844 70.943 1.00 85.75 O HETATM 1302 O HOH A1143 63.614 27.259 44.957 1.00 73.83 O HETATM 1303 O HOH A1144 55.206 1.589 52.240 1.00 87.53 O HETATM 1304 O HOH A1145 50.861 30.703 52.928 1.00 82.00 O HETATM 1305 O HOH A1146 61.535 35.308 49.397 1.00 81.51 O HETATM 1306 O HOH A1147 58.596 -7.733 66.215 1.00 79.40 O HETATM 1307 O HOH A1148 50.191 28.916 46.886 1.00 75.94 O HETATM 1308 O HOH A1149 57.185 37.827 53.409 1.00 81.42 O HETATM 1309 O HOH A1150 76.857 32.080 57.540 1.00 82.27 O HETATM 1310 O HOH A1151 65.874 30.679 50.365 1.00 85.35 O HETATM 1311 O HOH A1152 63.565 9.071 41.901 1.00 88.07 O HETATM 1312 O HOH A1153 68.288 32.579 61.972 1.00 74.40 O HETATM 1313 O HOH A1154 66.100 25.056 43.013 1.00 75.43 O HETATM 1314 O HOH A1155 56.630 -8.171 68.130 1.00 89.22 O HETATM 1315 O HOH A1156 44.840 -2.916 70.836 1.00 84.08 O HETATM 1316 O HOH A1157 76.936 7.285 51.755 1.00 85.53 O HETATM 1317 O HOH A1158 49.481 31.620 50.788 1.00 83.52 O HETATM 1318 O HOH A1159 46.889 22.821 56.692 1.00 77.21 O HETATM 1319 O HOH A1160 41.527 4.458 66.847 1.00 77.00 O HETATM 1320 O HOH A1161 71.923 27.326 48.405 1.00 70.73 O HETATM 1321 O HOH A1162 45.335 21.578 54.772 1.00 83.39 O HETATM 1322 O HOH A1163 67.466 12.417 67.656 1.00 50.70 O CONECT 338 1160 CONECT 912 1160 CONECT 1160 338 912 1167 1168 CONECT 1160 1169 CONECT 1161 1163 1164 1165 1166 CONECT 1161 1169 CONECT 1163 1161 CONECT 1164 1161 CONECT 1165 1161 CONECT 1166 1161 CONECT 1167 1160 CONECT 1168 1160 CONECT 1169 1160 1161 END