USER MOD reduce.3.24.130724 H: found=0, std=0, add=1640, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 01-MAR-17 5NB6 TITLE COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (2S,4S)-4-AMINO- TITLE 2 PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-[(1-CARBAMOYL-1H-INDOL-3-YL)- TITLE 3 AMIDE] 2-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE] COMPND MOL_ID: 1; COMPND 2 MOLECULE: COMPLEMENT FACTOR D; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ADIPSIN,C3 CONVERTASE ACTIVATOR,PROPERDIN FACTOR D; COMPND 5 EC: 3.4.21.46 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR A.MAC SWEENEY,N.OSTERMANN REVDAT 1 28-JUN-17 5NB6 0 JRNL AUTH E.LORTHIOIS,K.ANDERSON,A.VULPETTI,O.ROGEL,F.CUMIN, JRNL AUTH 2 N.OSTERMANN,S.STEINBACHER,A.MAC SWEENEY,O.DELGADO,S.M.LIAO, JRNL AUTH 3 S.RANDL,S.RUDISSER,S.DUSSAUGE,K.FETTIS,L.KIEFFER, JRNL AUTH 4 A.DE EKERNEZ,L.YANG,C.HARTWIEG,U.A.ARGIKAR,L.R.LABONTE, JRNL AUTH 5 R.NEWTON,V.KANSARA,S.FLOHR,U.HOMMEL,B.JAFFEE,J.MAIBAUM JRNL TITL DISCOVERY OF HIGHLY POTENT AND SELECTIVE SMALL-MOLECULE JRNL TITL 2 REVERSIBLE FACTOR D INHIBITORS DEMONSTRATING ALTERNATIVE JRNL TITL 3 COMPLEMENT PATHWAY INHIBITION IN VIVO. JRNL REF J. MED. CHEM. 2017 JRNL REFN ISSN 1520-4804 JRNL PMID 28621538 JRNL DOI 10.1021/ACS.JMEDCHEM.7B00425 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.3.0040 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.27 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 95.0 REMARK 3 NUMBER OF REFLECTIONS : 18233 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : FREE R-VALUE REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.235 REMARK 3 FREE R VALUE : 0.297 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 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 REFLECTION IN BIN (WORKING SET) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE SET COUNT : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1614 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 35 REMARK 3 SOLVENT ATOMS : 185 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): NULL REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : NULL REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): NULL ; NULL ; NULL REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): NULL ; NULL ; NULL REMARK 3 GENERAL PLANES REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : NULL REMARK 3 ION PROBE RADIUS : NULL REMARK 3 SHRINKAGE RADIUS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5NB6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 01-MAR-17. REMARK 100 THE DEPOSITION ID IS D_1200003817. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 22-FEB-08 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X10SA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97810 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22005 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 83.2 REMARK 200 DATA REDUNDANCY : 3.160 REMARK 200 R MERGE (I) : 0.03900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 21.1400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.67 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.98 REMARK 200 R MERGE FOR SHELL (I) : 0.09500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 10.30 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 1HFLF REMARK 200 REMARK 200 REMARK: ICE RINGS AND DIFFRACTION FROM COLLIMATOR REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.45 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.03 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 22% PEG3350, 0.1 M HEPES PH 7.5, 50 MM REMARK 280 NACL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 39.43750 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.53150 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 39.43750 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.53150 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9850 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 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 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 A 440 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 ASP A 60A REMARK 465 ALA A 60B REMARK 465 ALA A 60C REMARK 465 ASP A 60D REMARK 465 ARG A 169A REMARK 465 ARG A 169B REMARK 465 THR A 169C REMARK 465 HIS A 169D REMARK 465 HIS A 169E REMARK 465 ASP A 169F REMARK 465 GLY A 169G REMARK 465 ALA A 169H REMARK 465 ILE A 169I REMARK 465 THR A 169J REMARK 465 ALA A 246 REMARK 465 ALA A 247 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASN A 186 O REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 CH2 TRP A 141 O HOH A 512 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 102 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 CYS A 168 CA - CB - SG ANGL. DEV. = 6.8 DEGREES REMARK 500 SER A 195 CB - CA - C ANGL. DEV. = -11.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 187 -44.04 72.26 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 A 585 DISTANCE = 6.23 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 8S2 A 301 REMARK 999 REMARK 999 SEQUENCE REMARK 999 P2SEQ ANNOTATION (DBREF, SEQADV, MODRES, REMARK 465, COMPND, REMARK 999 SOURCE RECORDS) WAS ADDED SEMI-AUTOMATICALLY TO THIS ENTRY. REMARK 999 CONSTRUCT BOUNDARIES IN DBREF MAY BE INACCURATE IF THE ORIGINAL REMARK 999 DEPOSITION DID NOT SPECIFY A PROTRACK CRYSTALLIZATION SEQUENCE. DBREF 5NB6 A 16 243 UNP P00746 CFAD_HUMAN 26 253 SEQADV 5NB6 SER A 244 UNP P00746 EXPRESSION TAG SEQADV 5NB6 ALA A 245 UNP P00746 EXPRESSION TAG SEQADV 5NB6 ALA A 246 UNP P00746 EXPRESSION TAG SEQADV 5NB6 ALA A 247 UNP P00746 EXPRESSION TAG SEQRES 1 A 232 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 232 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 232 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 232 ALA HIS CYS LEU GLU ASP ALA ALA ASP GLY LYS VAL GLN SEQRES 5 A 232 VAL LEU LEU GLY ALA HIS SER LEU SER GLN PRO GLU PRO SEQRES 6 A 232 SER LYS ARG LEU TYR ASP VAL LEU ARG ALA VAL PRO HIS SEQRES 7 A 232 PRO ASP SER GLN PRO ASP THR ILE ASP HIS ASP LEU LEU SEQRES 8 A 232 LEU LEU GLN LEU SER GLU LYS ALA THR LEU GLY PRO ALA SEQRES 9 A 232 VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP ARG ASP VAL SEQRES 10 A 232 ALA PRO GLY THR LEU CYS ASP VAL ALA GLY TRP GLY ILE SEQRES 11 A 232 VAL ASN HIS ALA GLY ARG ARG PRO ASP SER LEU GLN HIS SEQRES 12 A 232 VAL LEU LEU PRO VAL LEU ASP ARG ALA THR CYS ASN ARG SEQRES 13 A 232 ARG THR HIS HIS ASP GLY ALA ILE THR GLU ARG LEU MET SEQRES 14 A 232 CYS ALA GLU SER ASN ARG ARG ASP SER CYS LYS GLY ASP SEQRES 15 A 232 SER GLY GLY PRO LEU VAL CYS GLY GLY VAL LEU GLU GLY SEQRES 16 A 232 VAL VAL THR SER GLY SER ARG VAL CYS GLY ASN ARG LYS SEQRES 17 A 232 LYS PRO GLY ILE TYR THR ARG VAL ALA SER TYR ALA ALA SEQRES 18 A 232 TRP ILE ASP SER VAL LEU ALA SER ALA ALA ALA HET 8S2 A 301 35 HETNAM 8S2 (2~{S},4~{S})-~{N}1-(1-AMINOCARBONYLINDOL-3-YL)-4- HETNAM 2 8S2 AZANYL-~{N}2-[3-(TRIFLUOROMETHYLOXY) HETNAM 3 8S2 PHENYL]PYRROLIDINE-1,2-DICARBOXAMIDE FORMUL 2 8S2 C22 H21 F3 N6 O4 FORMUL 3 HOH *185(H2 O) HELIX 1 AA1 ALA A 55 GLU A 60 1 6 HELIX 2 AA2 ASP A 164 ASN A 169 1 6 HELIX 3 AA3 TYR A 234 SER A 244 1 11 SHEET 1 AA1 7 ARG A 20 GLU A 21 0 SHEET 2 AA1 7 GLN A 156 PRO A 161 -1 O HIS A 157 N ARG A 20 SHEET 3 AA1 7 LEU A 135 GLY A 140 -1 N CYS A 136 O LEU A 160 SHEET 4 AA1 7 PRO A 198 CYS A 201 -1 O VAL A 200 N ASP A 137 SHEET 5 AA1 7 VAL A 208 VAL A 213 -1 O GLU A 210 N LEU A 199 SHEET 6 AA1 7 GLY A 226 ARG A 230 -1 O THR A 229 N VAL A 212 SHEET 7 AA1 7 LEU A 180 ALA A 183 -1 N MET A 181 O TYR A 228 SHEET 1 AA2 7 MET A 30 LEU A 35 0 SHEET 2 AA2 7 ALA A 39 ALA A 48 -1 O CYS A 42 N VAL A 33 SHEET 3 AA2 7 TRP A 51 SER A 54 -1 O LEU A 53 N VAL A 45 SHEET 4 AA2 7 LEU A 104 LEU A 108 -1 O LEU A 104 N SER A 54 SHEET 5 AA2 7 ARG A 81 PRO A 90 -1 N ARG A 87 O GLN A 107 SHEET 6 AA2 7 VAL A 64 LEU A 68 -1 N LEU A 68 O ARG A 81 SHEET 7 AA2 7 MET A 30 LEU A 35 -1 N GLN A 34 O GLN A 65 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.04 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.02 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.03 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.06 SITE *** AC1 20 HIS A 40 LEU A 41 HIS A 57 GLU A 60 SITE *** AC1 20 PRO A 96 TRP A 141 ILE A 143 ARG A 151 SITE *** AC1 20 CYS A 191 LYS A 192 GLY A 193 SER A 195 SITE *** AC1 20 VAL A 213 THR A 214 SER A 215 GLY A 216 SITE *** AC1 20 ARG A 218 CYS A 220 HOH A 479 HOH A 517 CRYST1 78.875 45.063 63.716 90.00 117.43 90.00 C 1 2 1 4 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 0.012678 0.000000 0.006581 0.00000 SCALE2 0.000000 0.022191 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017683 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 101 HIS : no HD1:sc= 0.896 K(o=2.9,f=-0.1) USER MOD Set 1.2: A 234 TYR OH : rot -5:sc= 2.02 USER MOD Set 2.1: A 57 HIS : no HD1:sc= -3.77! C(o=-3.7!,f=-13!) USER MOD Set 2.2: A 215 SER OG : rot -44:sc= 0.0485 USER MOD Set 3.1: A 190 SER OG : rot -113:sc= 1.41 USER MOD Set 3.2: A 228 TYR OH : rot 166:sc= 1.42 USER MOD Set 4.1: A 32 SER OG : rot 84:sc= 1.68 USER MOD Set 4.2: A 34 GLN : amide:sc= 2.96 K(o=5.8,f=2.8!) USER MOD Set 4.3: A 40 HIS : no HD1:sc= 1.16 K(o=5.8,f=-3.5!) USER MOD Single : A 25 HIS : no HD1:sc= 2.24 K(o=2.2,f=-4.2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE A:methyl -157:sc= -0.254 (180deg=-0.565) USER MOD Single : A 30 MET CE B:methyl -155:sc= -0.0796 (180deg=-0.269) USER MOD Single : A 36 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.6!) USER MOD Single : A 50 GLN : amide:sc= 1.89 K(o=1.9,f=-0.99) USER MOD Single : A 54 SER OG : rot 86:sc= 1.21 USER MOD Single : A 63 LYS NZ :NH3+ 140:sc= 0.124 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.297 K(o=0.3,f=-0.73) USER MOD Single : A 71 HIS : no HD1:sc= 1.34 K(o=1.3,f=-3.3!) USER MOD Single : A 72 SER OG : rot 57:sc= 1.5 USER MOD Single : A 74 SER OG : rot -85:sc= 1.96 USER MOD Single : A 75 GLN : amide:sc= -0.0457 K(o=-0.046,f=0.63) USER MOD Single : A 79 SER OG : rot 76:sc= 0.816 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 2.33 (180deg=2.28) USER MOD Single : A 83 TYR OH : rot 18:sc= -1.18! USER MOD Single : A 91 HIS : no HD1:sc= 0.288 K(o=0.29,f=-8.9!) USER MOD Single : A 94 SER OG A: rot -72:sc= 1.34 USER MOD Single : A 94 SER OG B: rot 37:sc= 0.671 USER MOD Single : A 95 GLN : amide:sc= 1.04 K(o=1,f=-0.15) USER MOD Single : A 98 THR OG1 : rot -157:sc= 1.62 USER MOD Single : A 107 GLN : amide:sc= 0.159 X(o=0.16,f=-0.057) USER MOD Single : A 109 SER OG : rot 167:sc= 1.39 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 1.86 K(o=1.9,f=-3.7!) USER MOD Single : A 134 THR OG1 : rot 100:sc= 1.17 USER MOD Single : A 145 ASN : amide:sc= -0.175 K(o=-0.17,f=-5.5!) USER MOD Single : A 146 HIS : no HD1:sc= 0.32 K(o=0.32,f=-0.82) USER MOD Single : A 154 SER OG : rot -62:sc= -0.991 USER MOD Single : A 156 GLN : amide:sc= 0.635 K(o=0.64,f=-0.011) USER MOD Single : A 157 HIS : no HE2:sc= 0.606 K(o=0.61,f=-3!) USER MOD Single : A 167 THR OG1 : rot 69:sc= 1.62 USER MOD Single : A 169 ASN : amide:sc= -6.6! C(o=-6.6!,f=-11!) USER MOD Single : A 181 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 SER OG : rot 105:sc= 0.888 USER MOD Single : A 186 ASN : amide:sc= 0.0386 X(o=0.039,f=0.21) USER MOD Single : A 192 LYS NZ :NH3+ -163:sc= 0.355 (180deg=-0.267!) USER MOD Single : A 195 SER OG : rot 70:sc= 0.71 USER MOD Single : A 214 THR OG1 : rot -82:sc= 1.6 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 222 ASN : amide:sc= 0.478 K(o=0.48,f=-7.9!) USER MOD Single : A 223ALYS NZ :NH3+ 154:sc= 0 (180deg=-0.302) USER MOD Single : A 224 LYS NZ :NH3+ -178:sc= 0.136 (180deg=0.136) USER MOD Single : A 229 THR OG1 : rot -63:sc= 2.47 USER MOD Single : A 233 SER OG : rot -34:sc= 1.03 USER MOD Single : A 240 SER OG : rot -46:sc= 1.01 USER MOD Single : A 244 SER OG : rot -121:sc= 2.45 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 -8.192 -9.282 -13.256 1.00 2.00 N ATOM 2 CA ILE A 16 -8.537 -8.121 -14.207 1.00 5.23 C ATOM 3 C ILE A 16 -9.931 -7.644 -13.925 1.00 4.68 C ATOM 4 O ILE A 16 -10.897 -8.436 -14.055 1.00 7.60 O ATOM 5 CB ILE A 16 -8.431 -8.499 -15.694 1.00 3.75 C ATOM 6 CG1 ILE A 16 -7.043 -9.131 -16.003 1.00 4.83 C ATOM 7 CG2 ILE A 16 -8.828 -7.247 -16.615 1.00 6.01 C ATOM 8 CD1 ILE A 16 -5.778 -8.124 -16.187 1.00 3.37 C ATOM 0 HA ILE A 16 -7.885 -7.422 -14.042 1.00 5.23 H new ATOM 0 HB ILE A 16 -9.074 -9.192 -15.911 1.00 3.75 H new ATOM 0 HG12 ILE A 16 -6.830 -9.750 -15.287 1.00 4.83 H new ATOM 0 HG13 ILE A 16 -7.128 -9.655 -16.815 1.00 4.83 H new ATOM 0 HG21 ILE A 16 -8.757 -7.497 -17.550 1.00 6.01 H new ATOM 0 HG22 ILE A 16 -9.740 -6.978 -16.421 1.00 6.01 H new ATOM 0 HG23 ILE A 16 -8.227 -6.507 -16.433 1.00 6.01 H new ATOM 0 HD11 ILE A 16 -4.978 -8.640 -16.374 1.00 3.37 H new ATOM 0 HD12 ILE A 16 -5.951 -7.518 -16.924 1.00 3.37 H new ATOM 0 HD13 ILE A 16 -5.649 -7.613 -15.372 1.00 3.37 H new ATOM 9 N LEU A 17 -10.029 -6.372 -13.563 1.00 5.21 N ATOM 10 CA LEU A 17 -11.298 -5.644 -13.334 1.00 5.84 C ATOM 11 C LEU A 17 -11.708 -4.862 -14.648 1.00 5.97 C ATOM 12 O LEU A 17 -10.879 -4.202 -15.279 1.00 5.77 O ATOM 13 CB LEU A 17 -11.120 -4.618 -12.200 1.00 6.70 C ATOM 14 CG LEU A 17 -10.705 -5.149 -10.808 1.00 8.80 C ATOM 15 CD1 LEU A 17 -10.718 -4.023 -9.722 1.00 11.99 C ATOM 16 CD2 LEU A 17 -11.664 -6.294 -10.480 1.00 13.10 C ATOM 0 H LEU A 17 -9.336 -5.879 -13.436 1.00 5.21 H new ATOM 0 HA LEU A 17 -11.984 -6.287 -13.095 1.00 5.84 H new ATOM 0 HB2 LEU A 17 -10.454 -3.972 -12.484 1.00 6.70 H new ATOM 0 HB3 LEU A 17 -11.956 -4.137 -12.099 1.00 6.70 H new ATOM 0 HG LEU A 17 -9.789 -5.468 -10.817 1.00 8.80 H new ATOM 0 HD11 LEU A 17 -10.453 -4.395 -8.866 1.00 11.99 H new ATOM 0 HD12 LEU A 17 -10.098 -3.322 -9.975 1.00 11.99 H new ATOM 0 HD13 LEU A 17 -11.612 -3.653 -9.650 1.00 11.99 H new ATOM 0 HD21 LEU A 17 -11.443 -6.663 -9.610 1.00 13.10 H new ATOM 0 HD22 LEU A 17 -12.575 -5.960 -10.467 1.00 13.10 H new ATOM 0 HD23 LEU A 17 -11.584 -6.987 -11.154 1.00 13.10 H new ATOM 17 N GLY A 18 -12.980 -4.962 -15.008 1.00 5.72 N ATOM 18 CA GLY A 18 -13.551 -4.242 -16.116 1.00 8.02 C ATOM 19 C GLY A 18 -13.010 -4.642 -17.464 1.00 9.79 C ATOM 20 O GLY A 18 -13.072 -3.835 -18.412 1.00 8.63 O ATOM 0 H GLY A 18 -13.544 -5.466 -14.599 1.00 5.72 H new ATOM 0 HA2 GLY A 18 -14.512 -4.375 -16.113 1.00 8.02 H new ATOM 0 HA3 GLY A 18 -13.395 -3.293 -15.986 1.00 8.02 H new ATOM 21 N GLY A 19 -12.500 -5.882 -17.540 1.00 10.68 N ATOM 22 CA GLY A 19 -11.923 -6.389 -18.764 1.00 10.21 C ATOM 23 C GLY A 19 -12.890 -7.225 -19.504 1.00 10.46 C ATOM 24 O GLY A 19 -14.106 -7.097 -19.308 1.00 10.02 O ATOM 0 H GLY A 19 -12.485 -6.437 -16.883 1.00 10.68 H new ATOM 0 HA2 GLY A 19 -11.639 -5.648 -19.322 1.00 10.21 H new ATOM 0 HA3 GLY A 19 -11.131 -6.910 -18.560 1.00 10.21 H new ATOM 25 N ARG A 20 -12.361 -8.157 -20.327 1.00 10.66 N ATOM 26 CA ARG A 20 -13.216 -9.079 -21.035 1.00 11.41 C ATOM 27 C ARG A 20 -12.437 -10.386 -21.148 1.00 11.05 C ATOM 28 O ARG A 20 -11.234 -10.417 -20.867 1.00 11.44 O ATOM 29 CB ARG A 20 -13.518 -8.553 -22.445 1.00 12.99 C ATOM 30 CG ARG A 20 -14.249 -7.265 -22.584 1.00 18.40 C ATOM 31 CD ARG A 20 -15.501 -7.463 -23.497 1.00 28.03 C ATOM 32 NE ARG A 20 -16.364 -6.276 -23.684 1.00 32.14 N ATOM 33 CZ ARG A 20 -16.576 -5.671 -24.856 1.00 33.68 C ATOM 34 NH1 ARG A 20 -15.974 -6.113 -25.960 1.00 33.00 N ATOM 35 NH2 ARG A 20 -17.412 -4.634 -24.933 1.00 31.75 N ATOM 0 H ARG A 20 -11.520 -8.256 -20.475 1.00 10.66 H new ATOM 0 HA ARG A 20 -14.058 -9.195 -20.568 1.00 11.41 H new ATOM 0 HB2 ARG A 20 -12.673 -8.464 -22.913 1.00 12.99 H new ATOM 0 HB3 ARG A 20 -14.030 -9.234 -22.910 1.00 12.99 H new ATOM 0 HG2 ARG A 20 -14.523 -6.943 -21.711 1.00 18.40 H new ATOM 0 HG3 ARG A 20 -13.664 -6.591 -22.964 1.00 18.40 H new ATOM 0 HD2 ARG A 20 -15.199 -7.761 -24.369 1.00 28.03 H new ATOM 0 HD3 ARG A 20 -16.041 -8.177 -23.124 1.00 28.03 H new ATOM 0 HE ARG A 20 -16.756 -5.953 -22.990 1.00 32.14 H new ATOM 0 HH11 ARG A 20 -15.446 -6.791 -25.920 1.00 33.00 H new ATOM 0 HH12 ARG A 20 -16.113 -5.720 -26.712 1.00 33.00 H new ATOM 0 HH21 ARG A 20 -17.816 -4.354 -24.227 1.00 31.75 H new ATOM 0 HH22 ARG A 20 -17.547 -4.246 -25.688 1.00 31.75 H new ATOM 36 N GLU A 21 -13.136 -11.454 -21.500 1.00 9.35 N ATOM 37 CA GLU A 21 -12.491 -12.751 -21.794 1.00 8.98 C ATOM 38 C GLU A 21 -11.602 -12.672 -23.017 1.00 9.15 C ATOM 39 O GLU A 21 -12.030 -12.202 -24.101 1.00 9.67 O ATOM 40 CB GLU A 21 -13.508 -13.858 -22.005 1.00 10.87 C ATOM 41 CG GLU A 21 -12.869 -15.219 -22.097 1.00 9.09 C ATOM 42 CD GLU A 21 -13.886 -16.358 -22.189 1.00 15.82 C ATOM 43 OE1 GLU A 21 -15.040 -16.139 -21.785 1.00 17.28 O ATOM 44 OE2 GLU A 21 -13.507 -17.485 -22.606 1.00 18.84 O ATOM 0 H GLU A 21 -13.992 -11.460 -21.578 1.00 9.35 H new ATOM 0 HA GLU A 21 -11.951 -12.960 -21.016 1.00 8.98 H new ATOM 0 HB2 GLU A 21 -14.145 -13.852 -21.273 1.00 10.87 H new ATOM 0 HB3 GLU A 21 -14.008 -13.683 -22.818 1.00 10.87 H new ATOM 0 HG2 GLU A 21 -12.291 -15.246 -22.875 1.00 9.09 H new ATOM 0 HG3 GLU A 21 -12.306 -15.358 -21.320 1.00 9.09 H new ATOM 45 N ALA A 22 -10.379 -13.137 -22.864 1.00 5.65 N ATOM 46 CA ALA A 22 -9.441 -13.031 -23.964 1.00 5.95 C ATOM 47 C ALA A 22 -9.833 -14.107 -24.962 1.00 5.73 C ATOM 48 O ALA A 22 -10.482 -15.096 -24.600 1.00 8.28 O ATOM 49 CB ALA A 22 -8.019 -13.103 -23.521 1.00 4.06 C ATOM 0 H ALA A 22 -10.075 -13.509 -22.151 1.00 5.65 H new ATOM 0 HA ALA A 22 -9.492 -12.158 -24.384 1.00 5.95 H new ATOM 0 HB1 ALA A 22 -7.435 -13.028 -24.292 1.00 4.06 H new ATOM 0 HB2 ALA A 22 -7.835 -12.377 -22.904 1.00 4.06 H new ATOM 0 HB3 ALA A 22 -7.860 -13.951 -23.078 1.00 4.06 H new ATOM 50 N GLU A 23 -9.499 -13.882 -26.217 1.00 6.85 N ATOM 51 CA GLU A 23 -9.559 -14.976 -27.237 1.00 7.58 C ATOM 52 C GLU A 23 -8.599 -16.113 -26.894 1.00 7.24 C ATOM 53 O GLU A 23 -7.414 -15.894 -26.604 1.00 9.65 O ATOM 54 CB GLU A 23 -9.242 -14.500 -28.642 1.00 7.86 C ATOM 55 CG GLU A 23 -9.933 -13.209 -29.068 1.00 9.68 C ATOM 56 CD GLU A 23 -9.354 -11.960 -28.342 1.00 16.11 C ATOM 57 OE1 GLU A 23 -8.233 -12.017 -27.773 1.00 17.50 O ATOM 58 OE2 GLU A 23 -10.056 -10.920 -28.332 1.00 25.44 O ATOM 0 H GLU A 23 -9.235 -13.122 -26.520 1.00 6.85 H new ATOM 0 HA GLU A 23 -10.477 -15.290 -27.216 1.00 7.58 H new ATOM 0 HB2 GLU A 23 -8.283 -14.375 -28.716 1.00 7.86 H new ATOM 0 HB3 GLU A 23 -9.486 -15.201 -29.267 1.00 7.86 H new ATOM 0 HG2 GLU A 23 -9.839 -13.096 -30.027 1.00 9.68 H new ATOM 0 HG3 GLU A 23 -10.883 -13.277 -28.882 1.00 9.68 H new ATOM 59 N ALA A 24 -9.073 -17.320 -27.073 1.00 6.02 N ATOM 60 CA ALA A 24 -8.383 -18.510 -26.591 1.00 5.54 C ATOM 61 C ALA A 24 -6.986 -18.646 -27.259 1.00 5.25 C ATOM 62 O ALA A 24 -6.901 -18.761 -28.470 1.00 4.95 O ATOM 63 CB ALA A 24 -9.251 -19.764 -26.911 1.00 3.96 C ATOM 0 H ALA A 24 -9.812 -17.485 -27.481 1.00 6.02 H new ATOM 0 HA ALA A 24 -8.252 -18.435 -25.633 1.00 5.54 H new ATOM 0 HB1 ALA A 24 -8.798 -20.561 -26.593 1.00 3.96 H new ATOM 0 HB2 ALA A 24 -10.111 -19.684 -26.470 1.00 3.96 H new ATOM 0 HB3 ALA A 24 -9.385 -19.829 -27.870 1.00 3.96 H new ATOM 64 N HIS A 25 -5.922 -18.663 -26.465 1.00 5.59 N ATOM 65 CA HIS A 25 -4.512 -18.843 -26.963 1.00 6.49 C ATOM 66 C HIS A 25 -3.989 -17.690 -27.862 1.00 7.24 C ATOM 67 O HIS A 25 -2.977 -17.821 -28.546 1.00 9.92 O ATOM 68 CB HIS A 25 -4.332 -20.234 -27.628 1.00 5.62 C ATOM 69 CG HIS A 25 -5.118 -21.315 -26.940 1.00 8.33 C ATOM 70 ND1 HIS A 25 -4.744 -21.851 -25.730 1.00 5.02 N ATOM 71 CD2 HIS A 25 -6.329 -21.858 -27.222 1.00 7.42 C ATOM 72 CE1 HIS A 25 -5.657 -22.694 -25.310 1.00 9.58 C ATOM 73 NE2 HIS A 25 -6.609 -22.756 -26.214 1.00 9.84 N ATOM 0 H HIS A 25 -5.974 -18.571 -25.611 1.00 5.59 H new ATOM 0 HA HIS A 25 -3.949 -18.803 -26.174 1.00 6.49 H new ATOM 0 HB2 HIS A 25 -4.607 -20.182 -28.557 1.00 5.62 H new ATOM 0 HB3 HIS A 25 -3.391 -20.471 -27.623 1.00 5.62 H new ATOM 0 HD2 HIS A 25 -6.867 -21.662 -27.955 1.00 7.42 H new ATOM 0 HE1 HIS A 25 -5.635 -23.167 -24.510 1.00 9.58 H new ATOM 0 HE2 HIS A 25 -7.295 -23.273 -26.182 1.00 9.84 H new ATOM 74 N ALA A 26 -4.625 -16.520 -27.790 1.00 8.43 N ATOM 75 CA ALA A 26 -4.272 -15.427 -28.684 1.00 9.95 C ATOM 76 C ALA A 26 -3.102 -14.650 -28.102 1.00 9.82 C ATOM 77 O ALA A 26 -2.509 -13.809 -28.789 1.00 10.17 O ATOM 78 CB ALA A 26 -5.434 -14.517 -28.936 1.00 9.79 C ATOM 0 H ALA A 26 -5.257 -16.343 -27.235 1.00 8.43 H new ATOM 0 HA ALA A 26 -4.015 -15.807 -29.539 1.00 9.95 H new ATOM 0 HB1 ALA A 26 -5.162 -13.803 -29.534 1.00 9.79 H new ATOM 0 HB2 ALA A 26 -6.157 -15.020 -29.342 1.00 9.79 H new ATOM 0 HB3 ALA A 26 -5.736 -14.137 -28.096 1.00 9.79 H new ATOM 79 N ARG A 27 -2.791 -14.953 -26.833 1.00 8.29 N ATOM 80 CA ARG A 27 -1.627 -14.395 -26.144 1.00 7.89 C ATOM 81 C ARG A 27 -0.803 -15.609 -25.678 1.00 7.95 C ATOM 82 O ARG A 27 -0.908 -16.015 -24.504 1.00 7.78 O ATOM 83 CB ARG A 27 -2.066 -13.417 -24.993 1.00 8.82 C ATOM 84 CG ARG A 27 -2.978 -12.247 -25.480 1.00 7.50 C ATOM 85 CD ARG A 27 -3.739 -11.499 -24.356 1.00 6.88 C ATOM 86 NE ARG A 27 -4.404 -10.308 -24.922 1.00 13.77 N ATOM 87 CZ ARG A 27 -5.484 -10.318 -25.722 1.00 15.19 C ATOM 88 NH1 ARG A 27 -6.070 -11.460 -26.068 1.00 11.11 N ATOM 89 NH2 ARG A 27 -6.001 -9.164 -26.179 1.00 17.47 N ATOM 0 H ARG A 27 -3.255 -15.492 -26.349 1.00 8.29 H new ATOM 0 HA ARG A 27 -1.078 -13.837 -26.717 1.00 7.89 H new ATOM 0 HB2 ARG A 27 -2.537 -13.922 -24.312 1.00 8.82 H new ATOM 0 HB3 ARG A 27 -1.274 -13.046 -24.574 1.00 8.82 H new ATOM 0 HG2 ARG A 27 -2.431 -11.608 -25.963 1.00 7.50 H new ATOM 0 HG3 ARG A 27 -3.625 -12.600 -26.111 1.00 7.50 H new ATOM 0 HD2 ARG A 27 -4.396 -12.086 -23.950 1.00 6.88 H new ATOM 0 HD3 ARG A 27 -3.123 -11.235 -23.655 1.00 6.88 H new ATOM 0 HE ARG A 27 -4.071 -9.541 -24.722 1.00 13.77 H new ATOM 0 HH11 ARG A 27 -5.759 -12.208 -25.779 1.00 11.11 H new ATOM 0 HH12 ARG A 27 -6.760 -11.451 -26.581 1.00 11.11 H new ATOM 0 HH21 ARG A 27 -5.641 -8.415 -25.960 1.00 17.47 H new ATOM 0 HH22 ARG A 27 -6.692 -9.175 -26.691 1.00 17.47 H new ATOM 90 N PRO A 28 0.074 -16.158 -26.576 1.00 7.54 N ATOM 91 CA PRO A 28 0.683 -17.433 -26.337 1.00 6.74 C ATOM 92 C PRO A 28 1.849 -17.424 -25.344 1.00 6.51 C ATOM 93 O PRO A 28 2.360 -18.487 -25.007 1.00 3.89 O ATOM 94 CB PRO A 28 1.082 -17.916 -27.741 1.00 7.14 C ATOM 95 CG PRO A 28 1.396 -16.652 -28.508 1.00 7.40 C ATOM 96 CD PRO A 28 0.475 -15.577 -27.871 1.00 8.21 C ATOM 0 HA PRO A 28 0.067 -18.034 -25.891 1.00 6.74 H new ATOM 0 HB2 PRO A 28 1.851 -18.506 -27.705 1.00 7.14 H new ATOM 0 HB3 PRO A 28 0.362 -18.413 -28.160 1.00 7.14 H new ATOM 0 HG2 PRO A 28 2.332 -16.411 -28.425 1.00 7.40 H new ATOM 0 HG3 PRO A 28 1.214 -16.758 -29.455 1.00 7.40 H new ATOM 0 HD2 PRO A 28 0.943 -14.736 -27.751 1.00 8.21 H new ATOM 0 HD3 PRO A 28 -0.296 -15.395 -28.431 1.00 8.21 H new ATOM 97 N TYR A 29 2.194 -16.221 -24.878 1.00 5.03 N ATOM 98 CA TYR A 29 3.206 -16.011 -23.887 1.00 6.20 C ATOM 99 C TYR A 29 2.625 -16.058 -22.465 1.00 6.31 C ATOM 100 O TYR A 29 3.377 -16.063 -21.511 1.00 6.96 O ATOM 101 CB TYR A 29 3.829 -14.597 -24.122 1.00 7.52 C ATOM 102 CG TYR A 29 2.817 -13.503 -24.294 1.00 8.78 C ATOM 103 CD1 TYR A 29 2.166 -12.932 -23.194 1.00 12.46 C ATOM 104 CD2 TYR A 29 2.490 -13.013 -25.571 1.00 10.10 C ATOM 105 CE1 TYR A 29 1.159 -11.899 -23.361 1.00 6.66 C ATOM 106 CE2 TYR A 29 1.508 -12.004 -25.737 1.00 11.50 C ATOM 107 CZ TYR A 29 0.880 -11.460 -24.637 1.00 8.07 C ATOM 108 OH TYR A 29 -0.030 -10.475 -24.851 1.00 13.75 O ATOM 0 H TYR A 29 1.825 -15.493 -25.148 1.00 5.03 H new ATOM 0 HA TYR A 29 3.869 -16.714 -23.967 1.00 6.20 H new ATOM 0 HB2 TYR A 29 4.403 -14.378 -23.371 1.00 7.52 H new ATOM 0 HB3 TYR A 29 4.393 -14.630 -24.910 1.00 7.52 H new ATOM 0 HD1 TYR A 29 2.383 -13.221 -22.337 1.00 12.46 H new ATOM 0 HD2 TYR A 29 2.925 -13.356 -26.318 1.00 10.10 H new ATOM 0 HE1 TYR A 29 0.714 -11.543 -22.626 1.00 6.66 H new ATOM 0 HE2 TYR A 29 1.287 -11.708 -26.591 1.00 11.50 H new ATOM 0 HH TYR A 29 -0.087 -10.320 -25.675 1.00 13.75 H new ATOM 109 N MET A 30 1.297 -16.088 -22.331 1.00 5.76 N ATOM 110 CA AMET A 30 0.703 -15.964 -20.997 0.70 4.95 C ATOM 111 CA BMET A 30 0.667 -15.968 -21.016 0.30 5.25 C ATOM 112 C MET A 30 0.900 -17.227 -20.223 1.00 5.20 C ATOM 113 O MET A 30 0.559 -18.343 -20.722 1.00 5.27 O ATOM 114 CB AMET A 30 -0.786 -15.685 -21.085 0.70 4.44 C ATOM 115 CB BMET A 30 -0.843 -15.756 -21.149 0.30 5.08 C ATOM 116 CG AMET A 30 -1.393 -15.309 -19.750 0.70 4.38 C ATOM 117 CG BMET A 30 -1.310 -14.306 -21.262 0.30 4.64 C ATOM 118 SD AMET A 30 -0.835 -13.720 -19.086 0.70 7.43 S ATOM 119 SD BMET A 30 -0.774 -13.231 -19.924 0.30 6.21 S ATOM 120 CE AMET A 30 -1.253 -14.044 -17.344 0.70 2.08 C ATOM 121 CE BMET A 30 -1.161 -14.187 -18.454 0.30 7.69 C ATOM 0 H AMET A 30 0.737 -16.177 -22.978 0.70 5.76 H new ATOM 0 H BMET A 30 0.747 -16.177 -22.986 0.30 5.76 H new ATOM 0 HA AMET A 30 1.143 -15.224 -20.550 0.70 5.25 H new ATOM 0 HA BMET A 30 1.060 -15.204 -20.566 0.30 5.25 H new ATOM 0 HB2AMET A 30 -0.939 -14.967 -21.719 0.70 5.08 H new ATOM 0 HB2BMET A 30 -1.151 -16.238 -21.932 0.30 5.08 H new ATOM 0 HB3AMET A 30 -1.238 -16.470 -21.431 0.70 5.08 H new ATOM 0 HB3BMET A 30 -1.277 -16.158 -20.380 0.30 5.08 H new ATOM 0 HG2AMET A 30 -2.358 -15.286 -19.842 0.70 4.64 H new ATOM 0 HG2BMET A 30 -0.988 -13.941 -22.101 0.30 4.64 H new ATOM 0 HG3AMET A 30 -1.186 -16.005 -19.107 0.70 4.64 H new ATOM 0 HG3BMET A 30 -2.279 -14.294 -21.300 0.30 4.64 H new ATOM 0 HE1AMET A 30 -1.368 -13.202 -16.877 0.70 7.69 H new ATOM 0 HE1BMET A 30 -1.287 -13.588 -17.702 0.30 7.69 H new ATOM 0 HE2AMET A 30 -2.077 -14.554 -17.298 0.70 7.69 H new ATOM 0 HE2BMET A 30 -1.974 -14.694 -18.602 0.30 7.69 H new ATOM 0 HE3AMET A 30 -0.537 -14.549 -16.928 0.70 7.69 H new ATOM 0 HE3BMET A 30 -0.431 -14.796 -18.262 0.30 7.69 H new ATOM 122 N ALA A 31 1.397 -17.065 -19.003 1.00 5.13 N ATOM 123 CA ALA A 31 1.627 -18.177 -18.066 1.00 4.27 C ATOM 124 C ALA A 31 0.772 -17.939 -16.796 1.00 5.80 C ATOM 125 O ALA A 31 0.566 -16.775 -16.405 1.00 5.98 O ATOM 126 CB ALA A 31 3.087 -18.277 -17.688 1.00 6.25 C ATOM 0 H ALA A 31 1.616 -16.297 -18.685 1.00 5.13 H new ATOM 0 HA ALA A 31 1.372 -19.009 -18.494 1.00 4.27 H new ATOM 0 HB1 ALA A 31 3.212 -19.015 -17.071 1.00 6.25 H new ATOM 0 HB2 ALA A 31 3.618 -18.429 -18.485 1.00 6.25 H new ATOM 0 HB3 ALA A 31 3.369 -17.451 -17.264 1.00 6.25 H new ATOM 127 N SER A 32 0.227 -19.028 -16.231 1.00 6.02 N ATOM 128 CA SER A 32 -0.285 -19.051 -14.858 1.00 5.61 C ATOM 129 C SER A 32 0.784 -19.697 -13.914 1.00 5.70 C ATOM 130 O SER A 32 1.184 -20.854 -14.074 1.00 6.80 O ATOM 131 CB SER A 32 -1.583 -19.897 -14.756 1.00 6.50 C ATOM 132 OG SER A 32 -2.071 -19.958 -13.409 1.00 5.84 O ATOM 0 H SER A 32 0.145 -19.779 -16.642 1.00 6.02 H new ATOM 0 HA SER A 32 -0.476 -18.136 -14.597 1.00 5.61 H new ATOM 0 HB2 SER A 32 -2.265 -19.515 -15.331 1.00 6.50 H new ATOM 0 HB3 SER A 32 -1.411 -20.795 -15.079 1.00 6.50 H new ATOM 0 HG SER A 32 -2.537 -19.278 -13.249 1.00 5.84 H new ATOM 133 N VAL A 33 1.206 -18.949 -12.922 1.00 4.20 N ATOM 134 CA VAL A 33 2.176 -19.404 -11.963 1.00 4.58 C ATOM 135 C VAL A 33 1.372 -19.911 -10.792 1.00 5.99 C ATOM 136 O VAL A 33 0.485 -19.241 -10.284 1.00 5.53 O ATOM 137 CB VAL A 33 3.123 -18.251 -11.565 1.00 5.88 C ATOM 138 CG1 VAL A 33 4.003 -18.642 -10.431 1.00 6.54 C ATOM 139 CG2 VAL A 33 3.865 -17.643 -12.819 1.00 3.48 C ATOM 0 H VAL A 33 0.931 -18.146 -12.785 1.00 4.20 H new ATOM 0 HA VAL A 33 2.748 -20.103 -12.316 1.00 4.58 H new ATOM 0 HB VAL A 33 2.594 -17.514 -11.223 1.00 5.88 H new ATOM 0 HG11 VAL A 33 4.586 -17.901 -10.203 1.00 6.54 H new ATOM 0 HG12 VAL A 33 3.458 -18.873 -9.663 1.00 6.54 H new ATOM 0 HG13 VAL A 33 4.540 -19.408 -10.687 1.00 6.54 H new ATOM 0 HG21 VAL A 33 4.449 -16.924 -12.532 1.00 3.48 H new ATOM 0 HG22 VAL A 33 4.391 -18.334 -13.250 1.00 3.48 H new ATOM 0 HG23 VAL A 33 3.211 -17.297 -13.446 1.00 3.48 H new ATOM 140 N GLN A 34 1.578 -21.180 -10.478 1.00 7.62 N ATOM 141 CA GLN A 34 0.637 -21.876 -9.635 1.00 8.37 C ATOM 142 C GLN A 34 1.331 -22.487 -8.436 1.00 9.64 C ATOM 143 O GLN A 34 2.500 -22.880 -8.513 1.00 8.55 O ATOM 144 CB GLN A 34 -0.009 -22.924 -10.471 1.00 12.29 C ATOM 145 CG GLN A 34 -0.768 -22.300 -11.632 1.00 12.17 C ATOM 146 CD GLN A 34 -1.685 -23.309 -12.253 1.00 16.15 C ATOM 147 OE1 GLN A 34 -1.550 -24.522 -11.990 1.00 12.44 O ATOM 148 NE2 GLN A 34 -2.714 -22.811 -12.999 1.00 7.77 N ATOM 0 H GLN A 34 2.250 -21.648 -10.741 1.00 7.62 H new ATOM 0 HA GLN A 34 -0.028 -21.262 -9.287 1.00 8.37 H new ATOM 0 HB2 GLN A 34 0.665 -23.533 -10.810 1.00 12.29 H new ATOM 0 HB3 GLN A 34 -0.617 -23.448 -9.927 1.00 12.29 H new ATOM 0 HG2 GLN A 34 -1.279 -21.537 -11.320 1.00 12.17 H new ATOM 0 HG3 GLN A 34 -0.143 -21.970 -12.296 1.00 12.17 H new ATOM 0 HE21 GLN A 34 -2.764 -21.966 -13.153 1.00 7.77 H new ATOM 0 HE22 GLN A 34 -3.312 -23.342 -13.315 1.00 7.77 H new ATOM 149 N LEU A 35 0.583 -22.548 -7.343 1.00 12.11 N ATOM 150 CA LEU A 35 1.008 -23.156 -6.099 1.00 13.84 C ATOM 151 C LEU A 35 -0.093 -24.029 -5.591 1.00 15.83 C ATOM 152 O LEU A 35 -1.305 -23.668 -5.606 1.00 14.26 O ATOM 153 CB LEU A 35 1.267 -22.112 -5.039 1.00 13.81 C ATOM 154 CG LEU A 35 2.124 -22.359 -3.783 1.00 11.96 C ATOM 155 CD1 LEU A 35 3.514 -22.822 -4.129 1.00 14.22 C ATOM 156 CD2 LEU A 35 2.130 -21.148 -2.871 1.00 14.33 C ATOM 0 H LEU A 35 -0.213 -22.224 -7.307 1.00 12.11 H new ATOM 0 HA LEU A 35 1.822 -23.655 -6.272 1.00 13.84 H new ATOM 0 HB2 LEU A 35 1.666 -21.355 -5.495 1.00 13.81 H new ATOM 0 HB3 LEU A 35 0.396 -21.825 -4.722 1.00 13.81 H new ATOM 0 HG LEU A 35 1.711 -23.084 -3.289 1.00 11.96 H new ATOM 0 HD11 LEU A 35 4.020 -22.966 -3.314 1.00 14.22 H new ATOM 0 HD12 LEU A 35 3.464 -23.652 -4.629 1.00 14.22 H new ATOM 0 HD13 LEU A 35 3.955 -22.147 -4.668 1.00 14.22 H new ATOM 0 HD21 LEU A 35 2.676 -21.333 -2.091 1.00 14.33 H new ATOM 0 HD22 LEU A 35 2.495 -20.386 -3.347 1.00 14.33 H new ATOM 0 HD23 LEU A 35 1.223 -20.950 -2.590 1.00 14.33 H new ATOM 157 N ASN A 36 0.326 -25.170 -5.133 1.00 17.75 N ATOM 158 CA ASN A 36 -0.615 -26.148 -4.664 1.00 18.43 C ATOM 159 C ASN A 36 -1.746 -26.263 -5.695 1.00 18.19 C ATOM 160 O ASN A 36 -2.858 -26.324 -5.376 1.00 20.17 O ATOM 161 CB ASN A 36 -0.980 -25.877 -3.202 1.00 18.49 C ATOM 162 CG ASN A 36 0.234 -26.138 -2.308 1.00 20.73 C ATOM 163 OD1 ASN A 36 0.983 -27.005 -2.633 1.00 26.48 O ATOM 164 ND2 ASN A 36 0.490 -25.328 -1.335 1.00 17.90 N ATOM 0 H ASN A 36 1.152 -25.404 -5.082 1.00 17.75 H new ATOM 0 HA ASN A 36 -0.249 -27.045 -4.614 1.00 18.43 H new ATOM 0 HB2 ASN A 36 -1.277 -24.959 -3.099 1.00 18.49 H new ATOM 0 HB3 ASN A 36 -1.718 -26.446 -2.933 1.00 18.49 H new ATOM 0 HD21 ASN A 36 1.225 -25.404 -0.895 1.00 17.90 H new ATOM 0 HD22 ASN A 36 -0.074 -24.713 -1.128 1.00 17.90 H new ATOM 165 N GLY A 38 -1.298 -26.317 -7.046 1.00 16.16 N ATOM 166 CA GLY A 38 -2.206 -26.577 -8.157 1.00 15.02 C ATOM 167 C GLY A 38 -3.269 -25.541 -8.421 1.00 13.39 C ATOM 168 O GLY A 38 -4.169 -25.757 -9.276 1.00 13.31 O ATOM 0 H GLY A 38 -0.479 -26.201 -7.281 1.00 16.16 H new ATOM 0 HA2 GLY A 38 -1.676 -26.679 -8.963 1.00 15.02 H new ATOM 0 HA3 GLY A 38 -2.645 -27.427 -7.996 1.00 15.02 H new ATOM 169 N ALA A 39 -3.117 -24.391 -7.763 1.00 9.36 N ATOM 170 CA ALA A 39 -4.034 -23.282 -7.930 1.00 9.91 C ATOM 171 C ALA A 39 -3.318 -22.031 -8.461 1.00 5.76 C ATOM 172 O ALA A 39 -2.199 -21.757 -8.081 1.00 4.59 O ATOM 173 CB ALA A 39 -4.717 -22.982 -6.645 1.00 8.59 C ATOM 0 H ALA A 39 -2.477 -24.239 -7.209 1.00 9.36 H new ATOM 0 HA ALA A 39 -4.697 -23.542 -8.588 1.00 9.91 H new ATOM 0 HB1 ALA A 39 -5.328 -22.239 -6.769 1.00 8.59 H new ATOM 0 HB2 ALA A 39 -5.213 -23.762 -6.352 1.00 8.59 H new ATOM 0 HB3 ALA A 39 -4.056 -22.749 -5.974 1.00 8.59 H new ATOM 174 N HIS A 40 -3.971 -21.311 -9.364 1.00 7.98 N ATOM 175 CA HIS A 40 -3.386 -20.060 -9.927 1.00 6.17 C ATOM 176 C HIS A 40 -3.033 -19.145 -8.749 1.00 5.92 C ATOM 177 O HIS A 40 -3.876 -18.819 -7.884 1.00 4.41 O ATOM 178 CB HIS A 40 -4.386 -19.338 -10.866 1.00 8.55 C ATOM 179 CG HIS A 40 -3.943 -17.960 -11.274 1.00 5.31 C ATOM 180 ND1 HIS A 40 -3.271 -17.693 -12.450 1.00 7.58 N ATOM 181 CD2 HIS A 40 -4.077 -16.772 -10.639 1.00 4.99 C ATOM 182 CE1 HIS A 40 -2.967 -16.407 -12.497 1.00 6.55 C ATOM 183 NE2 HIS A 40 -3.494 -15.808 -11.437 1.00 4.95 N ATOM 0 H HIS A 40 -4.748 -21.513 -9.672 1.00 7.98 H new ATOM 0 HA HIS A 40 -2.601 -20.278 -10.453 1.00 6.17 H new ATOM 0 HB2 HIS A 40 -4.516 -19.876 -11.662 1.00 8.55 H new ATOM 0 HB3 HIS A 40 -5.246 -19.275 -10.422 1.00 8.55 H new ATOM 0 HD2 HIS A 40 -4.487 -16.631 -9.816 1.00 4.99 H new ATOM 0 HE1 HIS A 40 -2.467 -15.992 -13.162 1.00 6.55 H new ATOM 0 HE2 HIS A 40 -3.476 -14.964 -11.275 1.00 4.95 H new ATOM 184 N LEU A 41 -1.773 -18.741 -8.717 1.00 5.15 N ATOM 185 CA LEU A 41 -1.263 -17.690 -7.846 1.00 7.46 C ATOM 186 C LEU A 41 -1.026 -16.348 -8.595 1.00 7.67 C ATOM 187 O LEU A 41 -1.447 -15.220 -8.174 1.00 6.91 O ATOM 188 CB LEU A 41 0.064 -18.198 -7.202 1.00 9.49 C ATOM 189 CG LEU A 41 0.556 -17.383 -5.993 1.00 8.90 C ATOM 190 CD1 LEU A 41 -0.392 -17.400 -4.795 1.00 13.50 C ATOM 191 CD2 LEU A 41 2.016 -17.732 -5.587 1.00 12.18 C ATOM 0 H LEU A 41 -1.166 -19.084 -9.221 1.00 5.15 H new ATOM 0 HA LEU A 41 -1.929 -17.502 -7.166 1.00 7.46 H new ATOM 0 HB2 LEU A 41 -0.059 -19.119 -6.925 1.00 9.49 H new ATOM 0 HB3 LEU A 41 0.758 -18.196 -7.880 1.00 9.49 H new ATOM 0 HG LEU A 41 0.558 -16.464 -6.305 1.00 8.90 H new ATOM 0 HD11 LEU A 41 -0.016 -16.868 -4.077 1.00 13.50 H new ATOM 0 HD12 LEU A 41 -1.250 -17.030 -5.056 1.00 13.50 H new ATOM 0 HD13 LEU A 41 -0.513 -18.313 -4.491 1.00 13.50 H new ATOM 0 HD21 LEU A 41 2.277 -17.194 -4.824 1.00 12.18 H new ATOM 0 HD22 LEU A 41 2.071 -18.672 -5.353 1.00 12.18 H new ATOM 0 HD23 LEU A 41 2.611 -17.549 -6.330 1.00 12.18 H new ATOM 192 N CYS A 42 -0.250 -16.431 -9.651 1.00 7.64 N ATOM 193 CA CYS A 42 0.152 -15.172 -10.304 1.00 7.34 C ATOM 194 C CYS A 42 0.143 -15.406 -11.776 1.00 6.91 C ATOM 195 O CYS A 42 0.232 -16.555 -12.227 1.00 7.63 O ATOM 196 CB CYS A 42 1.566 -14.838 -9.894 1.00 6.83 C ATOM 197 SG CYS A 42 1.662 -13.990 -8.254 1.00 12.03 S ATOM 0 H CYS A 42 0.050 -17.156 -10.003 1.00 7.64 H new ATOM 0 HA CYS A 42 -0.448 -14.452 -10.055 1.00 7.34 H new ATOM 0 HB2 CYS A 42 2.089 -15.654 -9.862 1.00 6.83 H new ATOM 0 HB3 CYS A 42 1.968 -14.270 -10.570 1.00 6.83 H new ATOM 198 N GLY A 43 0.202 -14.319 -12.502 1.00 7.21 N ATOM 199 CA GLY A 43 0.535 -14.343 -13.927 1.00 5.52 C ATOM 200 C GLY A 43 2.031 -14.464 -14.135 1.00 7.07 C ATOM 201 O GLY A 43 2.812 -14.340 -13.208 1.00 5.41 O ATOM 0 H GLY A 43 0.051 -13.532 -12.191 1.00 7.21 H new ATOM 0 HA2 GLY A 43 0.085 -15.088 -14.355 1.00 5.52 H new ATOM 0 HA3 GLY A 43 0.211 -13.533 -14.352 1.00 5.52 H new ATOM 202 N GLY A 44 2.416 -14.775 -15.371 1.00 5.37 N ATOM 203 CA GLY A 44 3.832 -14.821 -15.829 1.00 5.34 C ATOM 204 C GLY A 44 3.847 -14.511 -17.322 1.00 3.76 C ATOM 205 O GLY A 44 2.860 -14.677 -18.006 1.00 5.95 O ATOM 0 H GLY A 44 1.855 -14.972 -15.993 1.00 5.37 H new ATOM 0 HA2 GLY A 44 4.368 -14.176 -15.342 1.00 5.34 H new ATOM 0 HA3 GLY A 44 4.216 -15.695 -15.659 1.00 5.34 H new ATOM 206 N VAL A 45 5.010 -14.189 -17.851 1.00 4.44 N ATOM 207 CA VAL A 45 5.209 -14.009 -19.246 1.00 4.23 C ATOM 208 C VAL A 45 6.339 -14.943 -19.697 1.00 5.67 C ATOM 209 O VAL A 45 7.452 -14.845 -19.135 1.00 7.42 O ATOM 210 CB VAL A 45 5.651 -12.525 -19.490 1.00 3.95 C ATOM 211 CG1 VAL A 45 5.848 -12.304 -20.967 1.00 6.26 C ATOM 212 CG2 VAL A 45 4.649 -11.598 -18.981 1.00 9.40 C ATOM 0 H VAL A 45 5.721 -14.068 -17.383 1.00 4.44 H new ATOM 0 HA VAL A 45 4.396 -14.204 -19.738 1.00 4.23 H new ATOM 0 HB VAL A 45 6.483 -12.363 -19.018 1.00 3.95 H new ATOM 0 HG11 VAL A 45 6.122 -11.387 -21.123 1.00 6.26 H new ATOM 0 HG12 VAL A 45 6.534 -12.906 -21.296 1.00 6.26 H new ATOM 0 HG13 VAL A 45 5.016 -12.477 -21.434 1.00 6.26 H new ATOM 0 HG21 VAL A 45 4.940 -10.687 -19.141 1.00 9.40 H new ATOM 0 HG22 VAL A 45 3.805 -11.752 -19.435 1.00 9.40 H new ATOM 0 HG23 VAL A 45 4.533 -11.737 -18.028 1.00 9.40 H new ATOM 213 N LEU A 46 6.078 -15.901 -20.611 1.00 4.32 N ATOM 214 CA LEU A 46 7.163 -16.663 -21.256 1.00 4.54 C ATOM 215 C LEU A 46 8.105 -15.653 -22.010 1.00 4.49 C ATOM 216 O LEU A 46 7.648 -14.986 -22.925 1.00 3.51 O ATOM 217 CB LEU A 46 6.567 -17.699 -22.270 1.00 4.44 C ATOM 218 CG LEU A 46 7.546 -18.738 -22.775 1.00 5.52 C ATOM 219 CD1 LEU A 46 8.077 -19.571 -21.603 1.00 5.86 C ATOM 220 CD2 LEU A 46 6.816 -19.658 -23.785 1.00 5.83 C ATOM 0 H LEU A 46 5.287 -16.120 -20.867 1.00 4.32 H new ATOM 0 HA LEU A 46 7.668 -17.148 -20.585 1.00 4.54 H new ATOM 0 HB2 LEU A 46 5.823 -18.155 -21.846 1.00 4.44 H new ATOM 0 HB3 LEU A 46 6.208 -17.216 -23.031 1.00 4.44 H new ATOM 0 HG LEU A 46 8.295 -18.300 -23.208 1.00 5.52 H new ATOM 0 HD11 LEU A 46 8.703 -20.234 -21.934 1.00 5.86 H new ATOM 0 HD12 LEU A 46 8.527 -18.990 -20.970 1.00 5.86 H new ATOM 0 HD13 LEU A 46 7.337 -20.017 -21.162 1.00 5.86 H new ATOM 0 HD21 LEU A 46 7.433 -20.329 -24.116 1.00 5.83 H new ATOM 0 HD22 LEU A 46 6.070 -20.095 -23.345 1.00 5.83 H new ATOM 0 HD23 LEU A 46 6.487 -19.127 -24.527 1.00 5.83 H new ATOM 221 N VAL A 47 9.370 -15.528 -21.572 1.00 6.68 N ATOM 222 CA VAL A 47 10.380 -14.609 -22.205 1.00 5.64 C ATOM 223 C VAL A 47 11.509 -15.387 -22.915 1.00 7.25 C ATOM 224 O VAL A 47 12.311 -14.826 -23.682 1.00 6.58 O ATOM 225 CB VAL A 47 10.897 -13.500 -21.220 1.00 6.55 C ATOM 226 CG1 VAL A 47 9.773 -12.548 -20.861 1.00 7.62 C ATOM 227 CG2 VAL A 47 11.564 -14.098 -19.992 1.00 5.44 C ATOM 0 H VAL A 47 9.679 -15.968 -20.901 1.00 6.68 H new ATOM 0 HA VAL A 47 9.917 -14.123 -22.905 1.00 5.64 H new ATOM 0 HB VAL A 47 11.584 -12.987 -21.674 1.00 6.55 H new ATOM 0 HG11 VAL A 47 10.105 -11.869 -20.253 1.00 7.62 H new ATOM 0 HG12 VAL A 47 9.438 -12.124 -21.667 1.00 7.62 H new ATOM 0 HG13 VAL A 47 9.055 -13.041 -20.433 1.00 7.62 H new ATOM 0 HG21 VAL A 47 11.869 -13.385 -19.410 1.00 5.44 H new ATOM 0 HG22 VAL A 47 10.927 -14.654 -19.516 1.00 5.44 H new ATOM 0 HG23 VAL A 47 12.322 -14.638 -20.266 1.00 5.44 H new ATOM 228 N ALA A 48 11.527 -16.705 -22.700 1.00 7.25 N ATOM 229 CA ALA A 48 12.410 -17.581 -23.491 1.00 6.25 C ATOM 230 C ALA A 48 11.906 -19.042 -23.427 1.00 6.77 C ATOM 231 O ALA A 48 11.031 -19.379 -22.610 1.00 5.25 O ATOM 232 CB ALA A 48 13.840 -17.541 -22.910 1.00 6.08 C ATOM 0 H ALA A 48 11.046 -17.110 -22.113 1.00 7.25 H new ATOM 0 HA ALA A 48 12.409 -17.269 -24.409 1.00 6.25 H new ATOM 0 HB1 ALA A 48 14.418 -18.118 -23.433 1.00 6.08 H new ATOM 0 HB2 ALA A 48 14.177 -16.632 -22.942 1.00 6.08 H new ATOM 0 HB3 ALA A 48 13.824 -17.847 -21.990 1.00 6.08 H new ATOM 233 N GLU A 49 12.556 -19.907 -24.239 1.00 6.88 N ATOM 234 CA GLU A 49 12.211 -21.348 -24.323 1.00 9.21 C ATOM 235 C GLU A 49 12.062 -21.942 -22.923 1.00 7.43 C ATOM 236 O GLU A 49 11.133 -22.592 -22.719 1.00 8.49 O ATOM 237 CB GLU A 49 13.191 -22.179 -25.218 1.00 7.77 C ATOM 238 CG GLU A 49 13.302 -21.717 -26.723 1.00 12.43 C ATOM 239 CD GLU A 49 13.223 -22.841 -27.821 1.00 13.85 C ATOM 240 OE1 GLU A 49 13.132 -24.054 -27.480 1.00 17.70 O ATOM 241 OE2 GLU A 49 13.213 -22.476 -29.044 1.00 21.59 O ATOM 0 H GLU A 49 13.205 -19.675 -24.753 1.00 6.88 H new ATOM 0 HA GLU A 49 11.355 -21.406 -24.775 1.00 9.21 H new ATOM 0 HB2 GLU A 49 14.075 -22.144 -24.820 1.00 7.77 H new ATOM 0 HB3 GLU A 49 12.909 -23.107 -25.202 1.00 7.77 H new ATOM 0 HG2 GLU A 49 12.594 -21.077 -26.895 1.00 12.43 H new ATOM 0 HG3 GLU A 49 14.143 -21.246 -26.833 1.00 12.43 H new ATOM 242 N GLN A 50 12.936 -21.585 -21.955 1.00 8.43 N ATOM 243 CA GLN A 50 12.972 -22.196 -20.642 1.00 8.16 C ATOM 244 C GLN A 50 12.719 -21.250 -19.451 1.00 8.65 C ATOM 245 O GLN A 50 12.946 -21.670 -18.251 1.00 8.76 O ATOM 246 CB GLN A 50 14.335 -22.922 -20.431 1.00 9.70 C ATOM 247 CG GLN A 50 14.206 -24.067 -19.392 1.00 10.42 C ATOM 248 CD GLN A 50 15.401 -24.993 -19.312 1.00 15.85 C ATOM 249 OE1 GLN A 50 16.433 -24.780 -20.001 1.00 19.63 O ATOM 250 NE2 GLN A 50 15.285 -26.044 -18.461 1.00 15.89 N ATOM 0 H GLN A 50 13.527 -20.969 -22.063 1.00 8.43 H new ATOM 0 HA GLN A 50 12.226 -22.816 -20.644 1.00 8.16 H new ATOM 0 HB2 GLN A 50 14.647 -23.282 -21.276 1.00 9.70 H new ATOM 0 HB3 GLN A 50 15.001 -22.284 -20.132 1.00 9.70 H new ATOM 0 HG2 GLN A 50 14.057 -23.676 -18.517 1.00 10.42 H new ATOM 0 HG3 GLN A 50 13.420 -24.593 -19.606 1.00 10.42 H new ATOM 0 HE21 GLN A 50 14.562 -26.153 -18.008 1.00 15.89 H new ATOM 0 HE22 GLN A 50 15.935 -26.601 -18.374 1.00 15.89 H new ATOM 251 N TRP A 51 12.288 -19.996 -19.751 1.00 7.76 N ATOM 252 CA TRP A 51 12.143 -18.958 -18.716 1.00 7.24 C ATOM 253 C TRP A 51 10.849 -18.183 -18.729 1.00 5.90 C ATOM 254 O TRP A 51 10.380 -17.723 -19.790 1.00 4.85 O ATOM 255 CB TRP A 51 13.303 -17.955 -18.750 1.00 7.38 C ATOM 256 CG TRP A 51 14.652 -18.543 -18.410 1.00 8.54 C ATOM 257 CD1 TRP A 51 15.571 -19.077 -19.284 1.00 11.66 C ATOM 258 CD2 TRP A 51 15.213 -18.684 -17.101 1.00 9.61 C ATOM 259 NE1 TRP A 51 16.697 -19.502 -18.590 1.00 12.01 N ATOM 260 CE2 TRP A 51 16.497 -19.283 -17.253 1.00 10.51 C ATOM 261 CE3 TRP A 51 14.772 -18.334 -15.801 1.00 4.81 C ATOM 262 CZ2 TRP A 51 17.336 -19.534 -16.158 1.00 10.34 C ATOM 263 CZ3 TRP A 51 15.574 -18.559 -14.746 1.00 10.57 C ATOM 264 CH2 TRP A 51 16.877 -19.174 -14.919 1.00 11.46 C ATOM 0 H TRP A 51 12.079 -19.738 -20.544 1.00 7.76 H new ATOM 0 HA TRP A 51 12.147 -19.476 -17.896 1.00 7.24 H new ATOM 0 HB2 TRP A 51 13.349 -17.561 -19.635 1.00 7.38 H new ATOM 0 HB3 TRP A 51 13.111 -17.235 -18.129 1.00 7.38 H new ATOM 0 HD1 TRP A 51 15.455 -19.144 -20.204 1.00 11.66 H new ATOM 0 HE1 TRP A 51 17.403 -19.846 -18.942 1.00 12.01 H new ATOM 0 HE3 TRP A 51 13.933 -17.951 -15.678 1.00 4.81 H new ATOM 0 HZ2 TRP A 51 18.171 -19.929 -16.269 1.00 10.34 H new ATOM 0 HZ3 TRP A 51 15.290 -18.317 -13.894 1.00 10.57 H new ATOM 0 HH2 TRP A 51 17.411 -19.327 -14.173 1.00 11.46 H new ATOM 265 N VAL A 52 10.281 -18.026 -17.538 1.00 5.13 N ATOM 266 CA VAL A 52 9.035 -17.259 -17.337 1.00 6.52 C ATOM 267 C VAL A 52 9.360 -16.120 -16.387 1.00 5.27 C ATOM 268 O VAL A 52 9.928 -16.331 -15.310 1.00 7.63 O ATOM 269 CB VAL A 52 7.840 -18.168 -16.797 1.00 5.79 C ATOM 270 CG1 VAL A 52 6.757 -17.347 -16.147 1.00 8.12 C ATOM 271 CG2 VAL A 52 7.203 -19.003 -17.950 1.00 10.34 C ATOM 0 H VAL A 52 10.603 -18.360 -16.814 1.00 5.13 H new ATOM 0 HA VAL A 52 8.719 -16.912 -18.186 1.00 6.52 H new ATOM 0 HB VAL A 52 8.228 -18.761 -16.135 1.00 5.79 H new ATOM 0 HG11 VAL A 52 6.051 -17.933 -15.833 1.00 8.12 H new ATOM 0 HG12 VAL A 52 7.128 -16.857 -15.396 1.00 8.12 H new ATOM 0 HG13 VAL A 52 6.394 -16.721 -16.793 1.00 8.12 H new ATOM 0 HG21 VAL A 52 6.481 -19.546 -17.596 1.00 10.34 H new ATOM 0 HG22 VAL A 52 6.854 -18.404 -18.629 1.00 10.34 H new ATOM 0 HG23 VAL A 52 7.877 -19.579 -18.343 1.00 10.34 H new ATOM 272 N LEU A 53 9.029 -14.910 -16.824 1.00 6.27 N ATOM 273 CA LEU A 53 9.166 -13.722 -16.018 1.00 6.08 C ATOM 274 C LEU A 53 7.867 -13.462 -15.223 1.00 7.41 C ATOM 275 O LEU A 53 6.769 -13.455 -15.806 1.00 5.53 O ATOM 276 CB LEU A 53 9.594 -12.517 -16.847 1.00 5.85 C ATOM 277 CG LEU A 53 9.710 -11.111 -16.226 1.00 6.50 C ATOM 278 CD1 LEU A 53 10.855 -11.126 -15.238 1.00 11.51 C ATOM 279 CD2 LEU A 53 10.009 -10.055 -17.284 1.00 5.99 C ATOM 0 H LEU A 53 8.714 -14.762 -17.610 1.00 6.27 H new ATOM 0 HA LEU A 53 9.879 -13.869 -15.377 1.00 6.08 H new ATOM 0 HB2 LEU A 53 10.461 -12.730 -17.226 1.00 5.85 H new ATOM 0 HB3 LEU A 53 8.970 -12.448 -17.586 1.00 5.85 H new ATOM 0 HG LEU A 53 8.867 -10.891 -15.800 1.00 6.50 H new ATOM 0 HD11 LEU A 53 10.946 -10.249 -14.834 1.00 11.51 H new ATOM 0 HD12 LEU A 53 10.677 -11.783 -14.547 1.00 11.51 H new ATOM 0 HD13 LEU A 53 11.677 -11.356 -15.699 1.00 11.51 H new ATOM 0 HD21 LEU A 53 10.076 -9.184 -16.862 1.00 5.99 H new ATOM 0 HD22 LEU A 53 10.847 -10.266 -17.724 1.00 5.99 H new ATOM 0 HD23 LEU A 53 9.294 -10.042 -17.940 1.00 5.99 H new ATOM 280 N SER A 54 8.002 -13.340 -13.882 1.00 4.57 N ATOM 281 CA SER A 54 6.851 -12.982 -13.059 1.00 4.81 C ATOM 282 C SER A 54 7.323 -11.865 -12.072 1.00 4.77 C ATOM 283 O SER A 54 8.323 -11.184 -12.337 1.00 2.85 O ATOM 284 CB SER A 54 6.265 -14.227 -12.372 1.00 3.79 C ATOM 285 OG SER A 54 5.037 -14.049 -11.709 1.00 6.66 O ATOM 0 H SER A 54 8.736 -13.459 -13.451 1.00 4.57 H new ATOM 0 HA SER A 54 6.119 -12.631 -13.590 1.00 4.81 H new ATOM 0 HB2 SER A 54 6.153 -14.920 -13.041 1.00 3.79 H new ATOM 0 HB3 SER A 54 6.914 -14.555 -11.730 1.00 3.79 H new ATOM 0 HG SER A 54 4.407 -14.144 -12.256 1.00 6.66 H new ATOM 286 N ALA A 55 6.560 -11.662 -11.014 1.00 5.68 N ATOM 287 CA ALA A 55 6.975 -10.762 -9.948 1.00 6.16 C ATOM 288 C ALA A 55 7.494 -11.457 -8.661 1.00 7.10 C ATOM 289 O ALA A 55 7.195 -12.619 -8.391 1.00 7.23 O ATOM 290 CB ALA A 55 5.778 -9.830 -9.631 1.00 7.68 C ATOM 0 H ALA A 55 5.795 -12.035 -10.891 1.00 5.68 H new ATOM 0 HA ALA A 55 7.745 -10.267 -10.269 1.00 6.16 H new ATOM 0 HB1 ALA A 55 6.025 -9.216 -8.922 1.00 7.68 H new ATOM 0 HB2 ALA A 55 5.540 -9.327 -10.425 1.00 7.68 H new ATOM 0 HB3 ALA A 55 5.019 -10.363 -9.347 1.00 7.68 H new ATOM 291 N ALA A 56 8.163 -10.694 -7.788 1.00 9.02 N ATOM 292 CA ALA A 56 8.944 -11.340 -6.706 1.00 8.36 C ATOM 293 C ALA A 56 8.110 -11.922 -5.601 1.00 9.04 C ATOM 294 O ALA A 56 8.419 -13.040 -5.127 1.00 9.76 O ATOM 295 CB ALA A 56 10.113 -10.420 -6.172 1.00 9.43 C ATOM 0 H ALA A 56 8.183 -9.834 -7.796 1.00 9.02 H new ATOM 0 HA ALA A 56 9.362 -12.109 -7.125 1.00 8.36 H new ATOM 0 HB1 ALA A 56 10.594 -10.883 -5.468 1.00 9.43 H new ATOM 0 HB2 ALA A 56 10.722 -10.216 -6.899 1.00 9.43 H new ATOM 0 HB3 ALA A 56 9.742 -9.596 -5.821 1.00 9.43 H new ATOM 296 N HIS A 57 7.024 -11.265 -5.199 1.00 10.76 N ATOM 297 CA HIS A 57 6.208 -11.772 -4.104 1.00 13.25 C ATOM 298 C HIS A 57 5.313 -12.986 -4.407 1.00 15.40 C ATOM 299 O HIS A 57 4.616 -13.519 -3.513 1.00 15.15 O ATOM 300 CB HIS A 57 5.487 -10.642 -3.392 1.00 14.41 C ATOM 301 CG HIS A 57 6.406 -9.514 -3.058 1.00 16.97 C ATOM 302 ND1 HIS A 57 7.615 -9.710 -2.408 1.00 17.96 N ATOM 303 CD2 HIS A 57 6.350 -8.193 -3.357 1.00 20.48 C ATOM 304 CE1 HIS A 57 8.226 -8.545 -2.271 1.00 18.52 C ATOM 305 NE2 HIS A 57 7.476 -7.609 -2.824 1.00 20.41 N ATOM 0 H HIS A 57 6.746 -10.529 -5.546 1.00 10.76 H new ATOM 0 HA HIS A 57 6.847 -12.162 -3.487 1.00 13.25 H new ATOM 0 HB2 HIS A 57 4.766 -10.315 -3.953 1.00 14.41 H new ATOM 0 HB3 HIS A 57 5.082 -10.980 -2.578 1.00 14.41 H new ATOM 0 HD2 HIS A 57 5.677 -7.762 -3.833 1.00 20.48 H new ATOM 0 HE1 HIS A 57 9.046 -8.408 -1.855 1.00 18.52 H new ATOM 0 HE2 HIS A 57 7.662 -6.770 -2.847 1.00 20.41 H new ATOM 306 N CYS A 58 5.379 -13.447 -5.657 1.00 15.83 N ATOM 307 CA CYS A 58 4.712 -14.656 -6.044 1.00 18.65 C ATOM 308 C CYS A 58 5.475 -15.837 -5.424 1.00 20.84 C ATOM 309 O CYS A 58 4.872 -16.680 -4.773 1.00 23.92 O ATOM 310 CB CYS A 58 4.585 -14.725 -7.569 1.00 17.19 C ATOM 311 SG CYS A 58 3.590 -13.323 -8.294 1.00 13.45 S ATOM 0 H CYS A 58 5.813 -13.060 -6.291 1.00 15.83 H new ATOM 0 HA CYS A 58 3.802 -14.687 -5.710 1.00 18.65 H new ATOM 0 HB2 CYS A 58 5.472 -14.720 -7.961 1.00 17.19 H new ATOM 0 HB3 CYS A 58 4.171 -15.567 -7.815 1.00 17.19 H new ATOM 312 N LEU A 59 6.803 -15.824 -5.496 1.00 23.36 N ATOM 313 CA LEU A 59 7.610 -16.862 -4.871 1.00 24.75 C ATOM 314 C LEU A 59 7.372 -16.990 -3.354 1.00 26.36 C ATOM 315 O LEU A 59 7.252 -18.102 -2.817 1.00 26.04 O ATOM 316 CB LEU A 59 9.109 -16.643 -5.179 1.00 25.74 C ATOM 317 CG LEU A 59 9.880 -17.983 -5.148 1.00 24.85 C ATOM 318 CD1 LEU A 59 9.201 -18.967 -6.070 1.00 26.35 C ATOM 319 CD2 LEU A 59 11.343 -17.811 -5.528 1.00 22.80 C ATOM 0 H LEU A 59 7.256 -15.218 -5.905 1.00 23.36 H new ATOM 0 HA LEU A 59 7.325 -17.704 -5.259 1.00 24.75 H new ATOM 0 HB2 LEU A 59 9.207 -16.229 -6.051 1.00 25.74 H new ATOM 0 HB3 LEU A 59 9.490 -16.031 -4.530 1.00 25.74 H new ATOM 0 HG LEU A 59 9.866 -18.321 -4.239 1.00 24.85 H new ATOM 0 HD11 LEU A 59 9.681 -19.810 -6.054 1.00 26.35 H new ATOM 0 HD12 LEU A 59 8.288 -19.110 -5.775 1.00 26.35 H new ATOM 0 HD13 LEU A 59 9.197 -18.614 -6.974 1.00 26.35 H new ATOM 0 HD21 LEU A 59 11.789 -18.672 -5.496 1.00 22.80 H new ATOM 0 HD22 LEU A 59 11.404 -17.449 -6.426 1.00 22.80 H new ATOM 0 HD23 LEU A 59 11.770 -17.203 -4.905 1.00 22.80 H new ATOM 320 N GLU A 60 7.252 -15.858 -2.670 1.00 27.88 N ATOM 321 CA GLU A 60 7.176 -15.858 -1.209 1.00 29.61 C ATOM 322 C GLU A 60 6.161 -16.811 -0.570 1.00 29.63 C ATOM 323 O GLU A 60 5.555 -16.494 0.465 1.00 30.35 O ATOM 324 CB GLU A 60 6.979 -14.428 -0.708 1.00 29.99 C ATOM 325 CG GLU A 60 8.275 -13.652 -0.694 1.00 33.65 C ATOM 326 CD GLU A 60 8.066 -12.209 -1.046 1.00 37.84 C ATOM 327 OE1 GLU A 60 6.912 -11.736 -0.885 1.00 40.03 O ATOM 328 OE2 GLU A 60 9.036 -11.557 -1.504 1.00 39.00 O ATOM 0 H GLU A 60 7.213 -15.078 -3.030 1.00 27.88 H new ATOM 0 HA GLU A 60 8.028 -16.219 -0.917 1.00 29.61 H new ATOM 0 HB2 GLU A 60 6.336 -13.973 -1.274 1.00 29.99 H new ATOM 0 HB3 GLU A 60 6.605 -14.448 0.187 1.00 29.99 H new ATOM 0 HG2 GLU A 60 8.680 -13.715 0.185 1.00 33.65 H new ATOM 0 HG3 GLU A 60 8.897 -14.051 -1.322 1.00 33.65 H new ATOM 329 N GLY A 62 7.503 -24.501 -0.013 1.00 30.39 N ATOM 330 CA GLY A 62 6.327 -24.495 -0.899 1.00 29.60 C ATOM 331 C GLY A 62 6.787 -24.830 -2.306 1.00 28.88 C ATOM 332 O GLY A 62 7.963 -24.653 -2.605 1.00 30.18 O ATOM 0 HA2 GLY A 62 5.672 -25.142 -0.595 1.00 29.60 H new ATOM 0 HA3 GLY A 62 5.896 -23.626 -0.882 1.00 29.60 H new ATOM 333 N LYS A 63 5.875 -25.273 -3.176 1.00 27.45 N ATOM 334 CA LYS A 63 6.281 -25.938 -4.452 1.00 26.36 C ATOM 335 C LYS A 63 5.711 -25.303 -5.760 1.00 24.76 C ATOM 336 O LYS A 63 4.568 -25.578 -6.129 1.00 26.33 O ATOM 337 CB LYS A 63 6.020 -27.458 -4.334 1.00 25.89 C ATOM 338 CG LYS A 63 5.275 -28.192 -5.518 1.00 29.56 C ATOM 339 CD LYS A 63 6.205 -28.612 -6.684 1.00 30.95 C ATOM 340 CE LYS A 63 5.562 -29.719 -7.547 1.00 30.87 C ATOM 341 NZ LYS A 63 6.523 -30.863 -7.824 1.00 33.24 N ATOM 0 H LYS A 63 5.025 -25.206 -3.061 1.00 27.45 H new ATOM 0 HA LYS A 63 7.232 -25.783 -4.561 1.00 26.36 H new ATOM 0 HB2 LYS A 63 6.877 -27.895 -4.209 1.00 25.89 H new ATOM 0 HB3 LYS A 63 5.505 -27.607 -3.525 1.00 25.89 H new ATOM 0 HG2 LYS A 63 4.832 -28.981 -5.169 1.00 29.56 H new ATOM 0 HG3 LYS A 63 4.582 -27.608 -5.864 1.00 29.56 H new ATOM 0 HD2 LYS A 63 6.400 -27.840 -7.238 1.00 30.95 H new ATOM 0 HD3 LYS A 63 7.051 -28.927 -6.328 1.00 30.95 H new ATOM 0 HE2 LYS A 63 4.775 -30.062 -7.096 1.00 30.87 H new ATOM 0 HE3 LYS A 63 5.264 -29.339 -8.388 1.00 30.87 H new ATOM 0 HZ1 LYS A 63 6.087 -31.637 -7.772 1.00 33.24 H new ATOM 0 HZ2 LYS A 63 6.867 -30.771 -8.640 1.00 33.24 H new ATOM 0 HZ3 LYS A 63 7.179 -30.852 -7.223 1.00 33.24 H new ATOM 342 N VAL A 64 6.537 -24.509 -6.457 1.00 22.70 N ATOM 343 CA VAL A 64 6.123 -23.664 -7.632 1.00 19.90 C ATOM 344 C VAL A 64 5.993 -24.336 -9.021 1.00 14.32 C ATOM 345 O VAL A 64 6.945 -24.868 -9.546 1.00 14.60 O ATOM 346 CB VAL A 64 7.146 -22.534 -7.890 1.00 19.48 C ATOM 347 CG1 VAL A 64 6.456 -21.331 -8.613 1.00 20.74 C ATOM 348 CG2 VAL A 64 7.833 -22.111 -6.614 1.00 19.97 C ATOM 0 H VAL A 64 7.373 -24.435 -6.268 1.00 22.70 H new ATOM 0 HA VAL A 64 5.240 -23.390 -7.339 1.00 19.90 H new ATOM 0 HB VAL A 64 7.839 -22.874 -8.478 1.00 19.48 H new ATOM 0 HG11 VAL A 64 7.108 -20.630 -8.769 1.00 20.74 H new ATOM 0 HG12 VAL A 64 6.093 -21.629 -9.462 1.00 20.74 H new ATOM 0 HG13 VAL A 64 5.739 -20.988 -8.057 1.00 20.74 H new ATOM 0 HG21 VAL A 64 8.467 -21.403 -6.807 1.00 19.97 H new ATOM 0 HG22 VAL A 64 7.172 -21.789 -5.982 1.00 19.97 H new ATOM 0 HG23 VAL A 64 8.302 -22.869 -6.232 1.00 19.97 H new ATOM 349 N GLN A 65 4.865 -24.133 -9.681 1.00 11.56 N ATOM 350 CA GLN A 65 4.580 -24.743 -10.987 1.00 10.50 C ATOM 351 C GLN A 65 4.068 -23.676 -11.988 1.00 8.78 C ATOM 352 O GLN A 65 3.642 -22.576 -11.595 1.00 8.28 O ATOM 353 CB GLN A 65 3.545 -25.852 -10.811 1.00 8.73 C ATOM 354 CG GLN A 65 4.160 -27.111 -10.163 1.00 12.00 C ATOM 355 CD GLN A 65 3.156 -28.264 -10.152 1.00 8.41 C ATOM 356 OE1 GLN A 65 1.977 -28.083 -9.828 1.00 16.96 O ATOM 357 NE2 GLN A 65 3.626 -29.433 -10.459 1.00 10.62 N ATOM 0 H GLN A 65 4.231 -23.633 -9.387 1.00 11.56 H new ATOM 0 HA GLN A 65 5.397 -25.122 -11.347 1.00 10.50 H new ATOM 0 HB2 GLN A 65 2.815 -25.529 -10.261 1.00 8.73 H new ATOM 0 HB3 GLN A 65 3.169 -26.083 -11.675 1.00 8.73 H new ATOM 0 HG2 GLN A 65 4.956 -27.375 -10.651 1.00 12.00 H new ATOM 0 HG3 GLN A 65 4.437 -26.910 -9.256 1.00 12.00 H new ATOM 0 HE21 GLN A 65 4.453 -29.520 -10.680 1.00 10.62 H new ATOM 0 HE22 GLN A 65 3.111 -30.122 -10.442 1.00 10.62 H new ATOM 358 N VAL A 66 4.225 -23.957 -13.272 1.00 7.06 N ATOM 359 CA VAL A 66 3.917 -22.953 -14.315 1.00 6.15 C ATOM 360 C VAL A 66 3.121 -23.677 -15.410 1.00 6.10 C ATOM 361 O VAL A 66 3.574 -24.707 -15.911 1.00 4.80 O ATOM 362 CB VAL A 66 5.163 -22.346 -14.946 1.00 6.98 C ATOM 363 CG1 VAL A 66 4.737 -21.439 -16.161 1.00 7.19 C ATOM 364 CG2 VAL A 66 6.056 -21.557 -13.842 1.00 4.88 C ATOM 0 H VAL A 66 4.506 -24.713 -13.572 1.00 7.06 H new ATOM 0 HA VAL A 66 3.425 -22.225 -13.905 1.00 6.15 H new ATOM 0 HB VAL A 66 5.735 -23.050 -15.289 1.00 6.98 H new ATOM 0 HG11 VAL A 66 5.527 -21.049 -16.567 1.00 7.19 H new ATOM 0 HG12 VAL A 66 4.268 -21.977 -16.818 1.00 7.19 H new ATOM 0 HG13 VAL A 66 4.153 -20.731 -15.847 1.00 7.19 H new ATOM 0 HG21 VAL A 66 6.841 -21.181 -14.269 1.00 4.88 H new ATOM 0 HG22 VAL A 66 5.529 -20.843 -13.450 1.00 4.88 H new ATOM 0 HG23 VAL A 66 6.331 -22.175 -13.147 1.00 4.88 H new ATOM 365 N LEU A 67 1.971 -23.095 -15.747 1.00 5.35 N ATOM 366 CA LEU A 67 1.019 -23.624 -16.744 1.00 6.27 C ATOM 367 C LEU A 67 1.106 -22.764 -17.999 1.00 6.35 C ATOM 368 O LEU A 67 0.856 -21.554 -17.956 1.00 7.96 O ATOM 369 CB LEU A 67 -0.412 -23.535 -16.189 1.00 5.97 C ATOM 370 CG LEU A 67 -1.504 -24.009 -17.177 1.00 6.76 C ATOM 371 CD1 LEU A 67 -1.259 -25.471 -17.466 1.00 7.70 C ATOM 372 CD2 LEU A 67 -2.875 -23.823 -16.579 1.00 5.35 C ATOM 0 H LEU A 67 1.709 -22.356 -15.393 1.00 5.35 H new ATOM 0 HA LEU A 67 1.235 -24.548 -16.944 1.00 6.27 H new ATOM 0 HB2 LEU A 67 -0.468 -24.067 -15.380 1.00 5.97 H new ATOM 0 HB3 LEU A 67 -0.594 -22.616 -15.937 1.00 5.97 H new ATOM 0 HG LEU A 67 -1.464 -23.488 -17.994 1.00 6.76 H new ATOM 0 HD11 LEU A 67 -1.931 -25.796 -18.085 1.00 7.70 H new ATOM 0 HD12 LEU A 67 -0.379 -25.580 -17.859 1.00 7.70 H new ATOM 0 HD13 LEU A 67 -1.309 -25.977 -16.640 1.00 7.70 H new ATOM 0 HD21 LEU A 67 -3.547 -24.124 -17.210 1.00 5.35 H new ATOM 0 HD22 LEU A 67 -2.945 -24.340 -15.761 1.00 5.35 H new ATOM 0 HD23 LEU A 67 -3.017 -22.884 -16.380 1.00 5.35 H new ATOM 373 N LEU A 68 1.450 -23.402 -19.108 1.00 3.65 N ATOM 374 CA LEU A 68 1.592 -22.763 -20.376 1.00 4.95 C ATOM 375 C LEU A 68 0.504 -23.288 -21.274 1.00 4.28 C ATOM 376 O LEU A 68 -0.043 -24.395 -21.052 1.00 6.24 O ATOM 377 CB LEU A 68 2.957 -23.090 -20.995 1.00 3.75 C ATOM 378 CG LEU A 68 4.164 -22.620 -20.203 1.00 3.65 C ATOM 379 CD1 LEU A 68 5.423 -22.930 -20.999 1.00 6.79 C ATOM 380 CD2 LEU A 68 4.130 -21.090 -19.900 1.00 2.00 C ATOM 0 H LEU A 68 1.610 -24.247 -19.131 1.00 3.65 H new ATOM 0 HA LEU A 68 1.528 -21.801 -20.270 1.00 4.95 H new ATOM 0 HB2 LEU A 68 3.020 -24.051 -21.111 1.00 3.75 H new ATOM 0 HB3 LEU A 68 2.996 -22.694 -21.880 1.00 3.75 H new ATOM 0 HG LEU A 68 4.153 -23.087 -19.353 1.00 3.65 H new ATOM 0 HD11 LEU A 68 6.201 -22.634 -20.502 1.00 6.79 H new ATOM 0 HD12 LEU A 68 5.482 -23.886 -21.152 1.00 6.79 H new ATOM 0 HD13 LEU A 68 5.389 -22.468 -21.851 1.00 6.79 H new ATOM 0 HD21 LEU A 68 4.920 -20.842 -19.394 1.00 2.00 H new ATOM 0 HD22 LEU A 68 4.112 -20.595 -20.734 1.00 2.00 H new ATOM 0 HD23 LEU A 68 3.337 -20.880 -19.383 1.00 2.00 H new ATOM 381 N GLY A 69 0.205 -22.521 -22.300 1.00 2.89 N ATOM 382 CA GLY A 69 -0.775 -22.945 -23.306 1.00 2.23 C ATOM 383 C GLY A 69 -2.211 -22.988 -22.897 1.00 5.02 C ATOM 384 O GLY A 69 -3.077 -23.555 -23.652 1.00 7.17 O ATOM 0 H GLY A 69 0.553 -21.748 -22.443 1.00 2.89 H new ATOM 0 HA2 GLY A 69 -0.699 -22.349 -24.068 1.00 2.23 H new ATOM 0 HA3 GLY A 69 -0.525 -23.831 -23.613 1.00 2.23 H new ATOM 385 N ALA A 70 -2.537 -22.367 -21.761 1.00 3.81 N ATOM 386 CA ALA A 70 -3.914 -22.385 -21.207 1.00 5.71 C ATOM 387 C ALA A 70 -4.808 -21.158 -21.607 1.00 4.75 C ATOM 388 O ALA A 70 -4.340 -20.024 -21.809 1.00 7.16 O ATOM 389 CB ALA A 70 -3.852 -22.488 -19.652 1.00 4.04 C ATOM 0 H ALA A 70 -1.975 -21.923 -21.285 1.00 3.81 H new ATOM 0 HA ALA A 70 -4.339 -23.163 -21.601 1.00 5.71 H new ATOM 0 HB1 ALA A 70 -4.753 -22.500 -19.292 1.00 4.04 H new ATOM 0 HB2 ALA A 70 -3.393 -23.304 -19.400 1.00 4.04 H new ATOM 0 HB3 ALA A 70 -3.372 -21.724 -19.296 1.00 4.04 H new ATOM 390 N HIS A 71 -6.116 -21.417 -21.688 1.00 6.98 N ATOM 391 CA HIS A 71 -7.112 -20.373 -21.673 1.00 8.18 C ATOM 392 C HIS A 71 -7.969 -20.599 -20.419 1.00 8.96 C ATOM 393 O HIS A 71 -8.027 -19.713 -19.574 1.00 7.84 O ATOM 394 CB HIS A 71 -8.014 -20.458 -22.921 1.00 9.55 C ATOM 395 CG HIS A 71 -9.007 -19.357 -22.983 1.00 6.81 C ATOM 396 ND1 HIS A 71 -8.655 -18.028 -22.828 1.00 4.30 N ATOM 397 CD2 HIS A 71 -10.359 -19.380 -23.130 1.00 10.58 C ATOM 398 CE1 HIS A 71 -9.747 -17.294 -22.827 1.00 9.72 C ATOM 399 NE2 HIS A 71 -10.784 -18.078 -23.058 1.00 8.78 N ATOM 0 H HIS A 71 -6.441 -22.211 -21.753 1.00 6.98 H new ATOM 0 HA HIS A 71 -6.686 -19.502 -21.670 1.00 8.18 H new ATOM 0 HB2 HIS A 71 -7.461 -20.436 -23.718 1.00 9.55 H new ATOM 0 HB3 HIS A 71 -8.479 -21.309 -22.922 1.00 9.55 H new ATOM 0 HD2 HIS A 71 -10.892 -20.132 -23.255 1.00 10.58 H new ATOM 0 HE1 HIS A 71 -9.783 -16.375 -22.687 1.00 9.72 H new ATOM 0 HE2 HIS A 71 -11.597 -17.814 -23.149 1.00 8.78 H new ATOM 400 N SER A 72 -8.563 -21.819 -20.319 1.00 7.89 N ATOM 401 CA SER A 72 -9.297 -22.259 -19.145 1.00 6.80 C ATOM 402 C SER A 72 -8.302 -22.872 -18.147 1.00 7.19 C ATOM 403 O SER A 72 -7.532 -23.774 -18.467 1.00 7.80 O ATOM 404 CB SER A 72 -10.328 -23.322 -19.593 1.00 7.19 C ATOM 405 OG SER A 72 -10.904 -23.968 -18.500 1.00 7.89 O ATOM 0 H SER A 72 -8.539 -22.405 -20.948 1.00 7.89 H new ATOM 0 HA SER A 72 -9.757 -21.518 -18.721 1.00 6.80 H new ATOM 0 HB2 SER A 72 -11.022 -22.899 -20.122 1.00 7.19 H new ATOM 0 HB3 SER A 72 -9.894 -23.975 -20.164 1.00 7.19 H new ATOM 0 HG SER A 72 -11.258 -23.400 -17.993 1.00 7.89 H new ATOM 406 N LEU A 73 -8.380 -22.461 -16.907 1.00 7.74 N ATOM 407 CA LEU A 73 -7.517 -23.063 -15.904 1.00 8.08 C ATOM 408 C LEU A 73 -7.927 -24.528 -15.628 1.00 9.60 C ATOM 409 O LEU A 73 -7.074 -25.306 -15.354 1.00 10.39 O ATOM 410 CB LEU A 73 -7.568 -22.265 -14.630 1.00 7.06 C ATOM 411 CG LEU A 73 -7.017 -20.841 -14.610 1.00 9.12 C ATOM 412 CD1 LEU A 73 -7.353 -20.320 -13.213 1.00 9.83 C ATOM 413 CD2 LEU A 73 -5.454 -20.703 -14.933 1.00 10.08 C ATOM 0 H LEU A 73 -8.911 -21.848 -16.620 1.00 7.74 H new ATOM 0 HA LEU A 73 -6.609 -23.060 -16.245 1.00 8.08 H new ATOM 0 HB2 LEU A 73 -8.496 -22.221 -14.352 1.00 7.06 H new ATOM 0 HB3 LEU A 73 -7.092 -22.770 -13.952 1.00 7.06 H new ATOM 0 HG LEU A 73 -7.421 -20.324 -15.325 1.00 9.12 H new ATOM 0 HD11 LEU A 73 -7.031 -19.410 -13.121 1.00 9.83 H new ATOM 0 HD12 LEU A 73 -8.314 -20.338 -13.083 1.00 9.83 H new ATOM 0 HD13 LEU A 73 -6.927 -20.882 -12.547 1.00 9.83 H new ATOM 0 HD21 LEU A 73 -5.197 -19.768 -14.897 1.00 10.08 H new ATOM 0 HD22 LEU A 73 -4.943 -21.204 -14.278 1.00 10.08 H new ATOM 0 HD23 LEU A 73 -5.274 -21.054 -15.819 1.00 10.08 H new ATOM 414 N SER A 74 -9.211 -24.909 -15.764 1.00 8.59 N ATOM 415 CA SER A 74 -9.660 -26.249 -15.273 1.00 10.31 C ATOM 416 C SER A 74 -9.980 -27.285 -16.385 1.00 9.68 C ATOM 417 O SER A 74 -9.852 -28.487 -16.187 1.00 12.67 O ATOM 418 CB SER A 74 -10.907 -26.045 -14.437 1.00 11.01 C ATOM 419 OG SER A 74 -11.892 -25.362 -15.211 1.00 10.55 O ATOM 0 H SER A 74 -9.827 -24.429 -16.125 1.00 8.59 H new ATOM 0 HA SER A 74 -8.917 -26.619 -14.771 1.00 10.31 H new ATOM 0 HB2 SER A 74 -11.252 -26.901 -14.139 1.00 11.01 H new ATOM 0 HB3 SER A 74 -10.694 -25.533 -13.641 1.00 11.01 H new ATOM 0 HG SER A 74 -11.759 -24.534 -15.166 1.00 10.55 H new ATOM 420 N GLN A 75 -10.361 -26.800 -17.551 1.00 10.58 N ATOM 421 CA GLN A 75 -10.780 -27.650 -18.648 1.00 12.75 C ATOM 422 C GLN A 75 -9.628 -28.234 -19.497 1.00 12.97 C ATOM 423 O GLN A 75 -8.573 -27.593 -19.660 1.00 13.08 O ATOM 424 CB GLN A 75 -11.821 -26.931 -19.490 1.00 11.26 C ATOM 425 CG GLN A 75 -13.031 -26.657 -18.710 1.00 15.46 C ATOM 426 CD GLN A 75 -14.203 -26.345 -19.574 1.00 22.76 C ATOM 427 OE1 GLN A 75 -14.807 -27.253 -20.190 1.00 23.88 O ATOM 428 NE2 GLN A 75 -14.564 -25.060 -19.626 1.00 23.00 N ATOM 0 H GLN A 75 -10.384 -25.959 -17.731 1.00 10.58 H new ATOM 0 HA GLN A 75 -11.183 -28.436 -18.248 1.00 12.75 H new ATOM 0 HB2 GLN A 75 -11.452 -26.098 -19.824 1.00 11.26 H new ATOM 0 HB3 GLN A 75 -12.046 -27.472 -20.263 1.00 11.26 H new ATOM 0 HG2 GLN A 75 -13.236 -27.426 -18.155 1.00 15.46 H new ATOM 0 HG3 GLN A 75 -12.866 -25.912 -18.112 1.00 15.46 H new ATOM 0 HE21 GLN A 75 -14.119 -24.470 -19.186 1.00 23.00 H new ATOM 0 HE22 GLN A 75 -15.241 -24.822 -20.100 1.00 23.00 H new ATOM 429 N PRO A 76 -9.841 -29.434 -20.062 1.00 14.87 N ATOM 430 CA PRO A 76 -8.826 -30.013 -20.993 1.00 15.63 C ATOM 431 C PRO A 76 -8.647 -29.156 -22.217 1.00 15.50 C ATOM 432 O PRO A 76 -9.629 -28.770 -22.833 1.00 15.46 O ATOM 433 CB PRO A 76 -9.468 -31.356 -21.397 1.00 15.53 C ATOM 434 CG PRO A 76 -10.387 -31.655 -20.230 1.00 15.51 C ATOM 435 CD PRO A 76 -10.970 -30.372 -19.863 1.00 13.90 C ATOM 0 HA PRO A 76 -7.949 -30.091 -20.587 1.00 15.63 H new ATOM 0 HB2 PRO A 76 -9.958 -31.284 -22.231 1.00 15.53 H new ATOM 0 HB3 PRO A 76 -8.802 -32.051 -21.518 1.00 15.53 H new ATOM 0 HG2 PRO A 76 -11.074 -32.293 -20.480 1.00 15.51 H new ATOM 0 HG3 PRO A 76 -9.896 -32.042 -19.488 1.00 15.51 H new ATOM 0 HD2 PRO A 76 -11.729 -30.147 -20.424 1.00 13.90 H new ATOM 0 HD3 PRO A 76 -11.285 -30.368 -18.945 1.00 13.90 H new ATOM 436 N GLU A 77 -7.388 -28.919 -22.575 1.00 16.27 N ATOM 437 CA GLU A 77 -6.948 -28.291 -23.805 1.00 16.45 C ATOM 438 C GLU A 77 -5.632 -29.031 -24.150 1.00 17.64 C ATOM 439 O GLU A 77 -4.707 -29.097 -23.321 1.00 16.52 O ATOM 440 CB GLU A 77 -6.744 -26.758 -23.603 1.00 17.53 C ATOM 441 CG GLU A 77 -7.976 -26.038 -22.945 1.00 13.96 C ATOM 442 CD GLU A 77 -7.745 -24.590 -22.536 1.00 14.80 C ATOM 443 OE1 GLU A 77 -6.588 -24.169 -22.287 1.00 13.50 O ATOM 444 OE2 GLU A 77 -8.736 -23.836 -22.462 1.00 12.22 O ATOM 0 H GLU A 77 -6.728 -29.137 -22.068 1.00 16.27 H new ATOM 0 HA GLU A 77 -7.594 -28.360 -24.526 1.00 16.45 H new ATOM 0 HB2 GLU A 77 -5.961 -26.614 -23.048 1.00 17.53 H new ATOM 0 HB3 GLU A 77 -6.561 -26.348 -24.463 1.00 17.53 H new ATOM 0 HG2 GLU A 77 -8.719 -26.068 -23.568 1.00 13.96 H new ATOM 0 HG3 GLU A 77 -8.244 -26.541 -22.160 1.00 13.96 H new ATOM 445 N PRO A 78 -5.606 -29.754 -25.295 1.00 17.46 N ATOM 446 CA PRO A 78 -4.311 -30.210 -25.804 1.00 17.96 C ATOM 447 C PRO A 78 -3.046 -29.348 -25.634 1.00 16.27 C ATOM 448 O PRO A 78 -2.007 -29.950 -25.267 1.00 18.19 O ATOM 449 CB PRO A 78 -4.624 -30.539 -27.279 1.00 18.31 C ATOM 450 CG PRO A 78 -5.960 -31.264 -27.131 1.00 17.22 C ATOM 451 CD PRO A 78 -6.719 -30.380 -26.059 1.00 17.56 C ATOM 0 HA PRO A 78 -4.013 -30.946 -25.247 1.00 17.96 H new ATOM 0 HB2 PRO A 78 -4.697 -29.742 -27.827 1.00 18.31 H new ATOM 0 HB3 PRO A 78 -3.944 -31.100 -27.683 1.00 18.31 H new ATOM 0 HG2 PRO A 78 -6.443 -31.305 -27.971 1.00 17.22 H new ATOM 0 HG3 PRO A 78 -5.842 -32.177 -26.827 1.00 17.22 H new ATOM 0 HD2 PRO A 78 -7.286 -29.714 -26.479 1.00 17.56 H new ATOM 0 HD3 PRO A 78 -7.289 -30.918 -25.488 1.00 17.56 H new ATOM 452 N SER A 79 -3.086 -28.017 -25.889 1.00 14.37 N ATOM 453 CA SER A 79 -1.863 -27.187 -25.748 1.00 11.66 C ATOM 454 C SER A 79 -1.483 -26.908 -24.290 1.00 10.53 C ATOM 455 O SER A 79 -0.441 -26.358 -24.055 1.00 11.65 O ATOM 456 CB SER A 79 -1.931 -25.814 -26.492 1.00 11.34 C ATOM 457 OG SER A 79 -2.962 -24.986 -25.972 1.00 13.79 O ATOM 0 H SER A 79 -3.789 -27.589 -26.137 1.00 14.37 H new ATOM 0 HA SER A 79 -1.183 -27.738 -26.166 1.00 11.66 H new ATOM 0 HB2 SER A 79 -1.078 -25.359 -26.411 1.00 11.34 H new ATOM 0 HB3 SER A 79 -2.083 -25.965 -27.438 1.00 11.34 H new ATOM 0 HG SER A 79 -2.716 -24.660 -25.238 1.00 13.79 H new ATOM 458 N LYS A 80 -2.381 -27.160 -23.334 1.00 9.34 N ATOM 459 CA LYS A 80 -2.033 -27.034 -21.914 1.00 8.33 C ATOM 460 C LYS A 80 -0.885 -27.969 -21.568 1.00 8.85 C ATOM 461 O LYS A 80 -0.946 -29.214 -21.877 1.00 6.18 O ATOM 462 CB LYS A 80 -3.241 -27.266 -21.014 1.00 6.64 C ATOM 463 CG LYS A 80 -4.116 -25.965 -20.900 1.00 11.70 C ATOM 464 CD LYS A 80 -5.526 -26.225 -20.186 1.00 11.71 C ATOM 465 CE LYS A 80 -5.435 -26.639 -18.732 1.00 14.00 C ATOM 466 NZ LYS A 80 -6.790 -26.595 -17.977 1.00 10.81 N ATOM 0 H LYS A 80 -3.192 -27.404 -23.484 1.00 9.34 H new ATOM 0 HA LYS A 80 -1.740 -26.123 -21.754 1.00 8.33 H new ATOM 0 HB2 LYS A 80 -3.778 -27.991 -21.369 1.00 6.64 H new ATOM 0 HB3 LYS A 80 -2.944 -27.538 -20.132 1.00 6.64 H new ATOM 0 HG2 LYS A 80 -3.625 -25.293 -20.402 1.00 11.70 H new ATOM 0 HG3 LYS A 80 -4.269 -25.605 -21.787 1.00 11.70 H new ATOM 0 HD2 LYS A 80 -6.059 -25.417 -20.246 1.00 11.71 H new ATOM 0 HD3 LYS A 80 -6.000 -26.914 -20.676 1.00 11.71 H new ATOM 0 HE2 LYS A 80 -5.077 -27.539 -18.683 1.00 14.00 H new ATOM 0 HE3 LYS A 80 -4.804 -26.058 -18.279 1.00 14.00 H new ATOM 0 HZ1 LYS A 80 -6.665 -26.834 -17.129 1.00 10.81 H new ATOM 0 HZ2 LYS A 80 -7.120 -25.769 -18.006 1.00 10.81 H new ATOM 0 HZ3 LYS A 80 -7.363 -27.157 -18.362 1.00 10.81 H new ATOM 467 N ARG A 81 0.162 -27.350 -21.013 1.00 9.30 N ATOM 468 CA ARG A 81 1.276 -28.051 -20.354 1.00 10.90 C ATOM 469 C ARG A 81 1.578 -27.340 -19.044 1.00 8.78 C ATOM 470 O ARG A 81 1.746 -26.099 -18.992 1.00 9.14 O ATOM 471 CB ARG A 81 2.572 -28.284 -21.224 1.00 11.65 C ATOM 472 CG ARG A 81 3.365 -29.686 -20.864 1.00 14.06 C ATOM 473 CD ARG A 81 4.460 -30.104 -21.879 1.00 18.02 C ATOM 474 NE ARG A 81 5.462 -31.007 -21.285 1.00 24.54 N ATOM 475 CZ ARG A 81 6.787 -30.991 -21.506 1.00 28.82 C ATOM 476 NH1 ARG A 81 7.385 -30.110 -22.333 1.00 24.67 N ATOM 477 NH2 ARG A 81 7.541 -31.891 -20.873 1.00 30.98 N ATOM 0 H ARG A 81 0.248 -26.494 -21.008 1.00 9.30 H new ATOM 0 HA ARG A 81 0.976 -28.960 -20.197 1.00 10.90 H new ATOM 0 HB2 ARG A 81 2.326 -28.292 -22.162 1.00 11.65 H new ATOM 0 HB3 ARG A 81 3.177 -27.537 -21.096 1.00 11.65 H new ATOM 0 HG2 ARG A 81 3.773 -29.594 -19.989 1.00 14.06 H new ATOM 0 HG3 ARG A 81 2.714 -30.402 -20.800 1.00 14.06 H new ATOM 0 HD2 ARG A 81 4.044 -30.542 -22.638 1.00 18.02 H new ATOM 0 HD3 ARG A 81 4.904 -29.311 -22.217 1.00 18.02 H new ATOM 0 HE ARG A 81 5.168 -31.605 -20.741 1.00 24.54 H new ATOM 0 HH11 ARG A 81 6.914 -29.522 -22.748 1.00 24.67 H new ATOM 0 HH12 ARG A 81 8.237 -30.136 -22.445 1.00 24.67 H new ATOM 0 HH21 ARG A 81 7.176 -32.460 -20.341 1.00 30.98 H new ATOM 0 HH22 ARG A 81 8.392 -31.902 -20.997 1.00 30.98 H new ATOM 478 N LEU A 82 1.646 -28.173 -18.002 1.00 9.55 N ATOM 479 CA LEU A 82 2.210 -27.845 -16.681 1.00 8.90 C ATOM 480 C LEU A 82 3.685 -28.291 -16.519 1.00 9.11 C ATOM 481 O LEU A 82 4.074 -29.405 -16.855 1.00 9.61 O ATOM 482 CB LEU A 82 1.400 -28.512 -15.560 1.00 8.10 C ATOM 483 CG LEU A 82 1.540 -27.927 -14.141 1.00 5.38 C ATOM 484 CD1 LEU A 82 1.064 -26.377 -14.035 1.00 7.40 C ATOM 485 CD2 LEU A 82 0.908 -28.788 -13.002 1.00 3.19 C ATOM 0 H LEU A 82 1.353 -28.980 -18.045 1.00 9.55 H new ATOM 0 HA LEU A 82 2.167 -26.878 -16.618 1.00 8.90 H new ATOM 0 HB2 LEU A 82 0.463 -28.479 -15.807 1.00 8.10 H new ATOM 0 HB3 LEU A 82 1.651 -29.448 -15.525 1.00 8.10 H new ATOM 0 HG LEU A 82 2.497 -27.955 -13.988 1.00 5.38 H new ATOM 0 HD11 LEU A 82 1.175 -26.066 -13.123 1.00 7.40 H new ATOM 0 HD12 LEU A 82 1.602 -25.832 -14.630 1.00 7.40 H new ATOM 0 HD13 LEU A 82 0.130 -26.307 -14.289 1.00 7.40 H new ATOM 0 HD21 LEU A 82 1.043 -28.346 -12.149 1.00 3.19 H new ATOM 0 HD22 LEU A 82 -0.042 -28.893 -13.165 1.00 3.19 H new ATOM 0 HD23 LEU A 82 1.331 -29.661 -12.984 1.00 3.19 H new ATOM 486 N TYR A 83 4.453 -27.416 -15.902 1.00 7.72 N ATOM 487 CA TYR A 83 5.881 -27.540 -15.754 1.00 8.97 C ATOM 488 C TYR A 83 6.236 -27.307 -14.326 1.00 7.06 C ATOM 489 O TYR A 83 5.732 -26.390 -13.738 1.00 7.74 O ATOM 490 CB TYR A 83 6.595 -26.449 -16.614 1.00 8.23 C ATOM 491 CG TYR A 83 6.443 -26.707 -18.104 1.00 10.96 C ATOM 492 CD1 TYR A 83 5.379 -26.158 -18.801 1.00 11.14 C ATOM 493 CD2 TYR A 83 7.389 -27.493 -18.810 1.00 11.00 C ATOM 494 CE1 TYR A 83 5.202 -26.368 -20.173 1.00 11.99 C ATOM 495 CE2 TYR A 83 7.218 -27.740 -20.207 1.00 12.69 C ATOM 496 CZ TYR A 83 6.092 -27.181 -20.863 1.00 11.70 C ATOM 497 OH TYR A 83 5.844 -27.370 -22.206 1.00 12.21 O ATOM 0 H TYR A 83 4.139 -26.701 -15.542 1.00 7.72 H new ATOM 0 HA TYR A 83 6.159 -28.424 -16.041 1.00 8.97 H new ATOM 0 HB2 TYR A 83 6.228 -25.577 -16.399 1.00 8.23 H new ATOM 0 HB3 TYR A 83 7.537 -26.424 -16.386 1.00 8.23 H new ATOM 0 HD1 TYR A 83 4.763 -25.633 -18.343 1.00 11.14 H new ATOM 0 HD2 TYR A 83 8.123 -27.849 -18.363 1.00 11.00 H new ATOM 0 HE1 TYR A 83 4.493 -25.966 -20.620 1.00 11.99 H new ATOM 0 HE2 TYR A 83 7.833 -28.257 -20.676 1.00 12.69 H new ATOM 0 HH TYR A 83 5.319 -26.774 -22.481 1.00 12.21 H new ATOM 498 N ASP A 84 7.153 -28.114 -13.790 1.00 9.22 N ATOM 499 CA ASP A 84 7.873 -27.739 -12.570 1.00 9.55 C ATOM 500 C ASP A 84 8.936 -26.688 -12.882 1.00 9.87 C ATOM 501 O ASP A 84 9.182 -26.341 -14.028 1.00 9.92 O ATOM 502 CB ASP A 84 8.515 -28.983 -11.906 1.00 9.97 C ATOM 503 CG ASP A 84 7.497 -29.962 -11.442 1.00 11.70 C ATOM 504 OD1 ASP A 84 6.743 -29.589 -10.531 1.00 10.73 O ATOM 505 OD2 ASP A 84 7.406 -31.071 -12.046 1.00 18.51 O ATOM 0 H ASP A 84 7.373 -28.879 -14.115 1.00 9.22 H new ATOM 0 HA ASP A 84 7.237 -27.358 -11.945 1.00 9.55 H new ATOM 0 HB2 ASP A 84 9.111 -29.414 -12.539 1.00 9.97 H new ATOM 0 HB3 ASP A 84 9.057 -28.702 -11.153 1.00 9.97 H new ATOM 506 N VAL A 85 9.604 -26.245 -11.825 1.00 11.56 N ATOM 507 CA VAL A 85 10.532 -25.145 -11.859 1.00 9.64 C ATOM 508 C VAL A 85 11.874 -25.678 -11.307 1.00 11.54 C ATOM 509 O VAL A 85 11.945 -26.164 -10.172 1.00 11.89 O ATOM 510 CB VAL A 85 9.902 -23.905 -11.107 1.00 11.25 C ATOM 511 CG1 VAL A 85 10.906 -22.813 -10.785 1.00 6.25 C ATOM 512 CG2 VAL A 85 8.717 -23.273 -11.991 1.00 7.97 C ATOM 0 H VAL A 85 9.521 -26.594 -11.044 1.00 11.56 H new ATOM 0 HA VAL A 85 10.714 -24.807 -12.750 1.00 9.64 H new ATOM 0 HB VAL A 85 9.567 -24.246 -10.263 1.00 11.25 H new ATOM 0 HG11 VAL A 85 10.457 -22.085 -10.327 1.00 6.25 H new ATOM 0 HG12 VAL A 85 11.604 -23.172 -10.215 1.00 6.25 H new ATOM 0 HG13 VAL A 85 11.300 -22.482 -11.608 1.00 6.25 H new ATOM 0 HG21 VAL A 85 8.335 -22.513 -11.524 1.00 7.97 H new ATOM 0 HG22 VAL A 85 9.071 -22.982 -12.846 1.00 7.97 H new ATOM 0 HG23 VAL A 85 8.030 -23.942 -12.136 1.00 7.97 H new ATOM 513 N LEU A 86 12.907 -25.586 -12.121 1.00 11.62 N ATOM 514 CA LEU A 86 14.311 -25.996 -11.786 1.00 13.39 C ATOM 515 C LEU A 86 15.035 -25.017 -10.910 1.00 13.71 C ATOM 516 O LEU A 86 15.885 -25.384 -10.089 1.00 15.20 O ATOM 517 CB LEU A 86 15.122 -26.043 -13.063 1.00 13.39 C ATOM 518 CG LEU A 86 16.568 -26.486 -13.187 1.00 14.32 C ATOM 519 CD1 LEU A 86 16.849 -27.725 -12.353 1.00 18.15 C ATOM 520 CD2 LEU A 86 16.853 -26.757 -14.680 1.00 16.44 C ATOM 0 H LEU A 86 12.834 -25.275 -12.919 1.00 11.62 H new ATOM 0 HA LEU A 86 14.232 -26.847 -11.327 1.00 13.39 H new ATOM 0 HB2 LEU A 86 14.622 -26.610 -13.670 1.00 13.39 H new ATOM 0 HB3 LEU A 86 15.092 -25.144 -13.425 1.00 13.39 H new ATOM 0 HG LEU A 86 17.151 -25.788 -12.851 1.00 14.32 H new ATOM 0 HD11 LEU A 86 17.779 -27.980 -12.455 1.00 18.15 H new ATOM 0 HD12 LEU A 86 16.667 -27.535 -11.419 1.00 18.15 H new ATOM 0 HD13 LEU A 86 16.280 -28.452 -12.651 1.00 18.15 H new ATOM 0 HD21 LEU A 86 17.774 -27.043 -14.787 1.00 16.44 H new ATOM 0 HD22 LEU A 86 16.259 -27.453 -15.002 1.00 16.44 H new ATOM 0 HD23 LEU A 86 16.705 -25.945 -15.190 1.00 16.44 H new ATOM 521 N ARG A 87 14.795 -23.745 -11.191 1.00 12.91 N ATOM 522 CA ARG A 87 15.307 -22.676 -10.392 1.00 12.86 C ATOM 523 C ARG A 87 14.345 -21.484 -10.395 1.00 11.22 C ATOM 524 O ARG A 87 13.811 -21.096 -11.444 1.00 11.06 O ATOM 525 CB ARG A 87 16.675 -22.249 -10.907 1.00 12.16 C ATOM 526 CG ARG A 87 17.394 -21.301 -9.976 1.00 14.86 C ATOM 527 CD ARG A 87 18.859 -20.921 -10.537 1.00 16.91 C ATOM 528 NE ARG A 87 19.078 -21.317 -11.930 1.00 23.40 N ATOM 529 CZ ARG A 87 19.630 -20.538 -12.871 1.00 24.32 C ATOM 530 NH1 ARG A 87 20.000 -19.262 -12.614 1.00 19.32 N ATOM 531 NH2 ARG A 87 19.781 -21.044 -14.090 1.00 19.05 N ATOM 0 H ARG A 87 14.323 -23.487 -11.862 1.00 12.91 H new ATOM 0 HA ARG A 87 15.396 -22.992 -9.479 1.00 12.86 H new ATOM 0 HB2 ARG A 87 17.223 -23.038 -11.042 1.00 12.16 H new ATOM 0 HB3 ARG A 87 16.570 -21.825 -11.773 1.00 12.16 H new ATOM 0 HG2 ARG A 87 16.869 -20.493 -9.866 1.00 14.86 H new ATOM 0 HG3 ARG A 87 17.477 -21.707 -9.099 1.00 14.86 H new ATOM 0 HD2 ARG A 87 18.988 -19.963 -10.457 1.00 16.91 H new ATOM 0 HD3 ARG A 87 19.530 -21.345 -9.979 1.00 16.91 H new ATOM 0 HE ARG A 87 18.834 -22.109 -12.162 1.00 23.40 H new ATOM 0 HH11 ARG A 87 19.883 -18.930 -11.829 1.00 19.32 H new ATOM 0 HH12 ARG A 87 20.352 -18.783 -13.235 1.00 19.32 H new ATOM 0 HH21 ARG A 87 19.528 -21.849 -14.256 1.00 19.05 H new ATOM 0 HH22 ARG A 87 20.132 -20.567 -14.713 1.00 19.05 H new ATOM 532 N ALA A 88 14.181 -20.909 -9.222 1.00 11.04 N ATOM 533 CA ALA A 88 13.541 -19.582 -9.087 1.00 10.11 C ATOM 534 C ALA A 88 14.520 -18.454 -8.699 1.00 11.44 C ATOM 535 O ALA A 88 15.309 -18.554 -7.689 1.00 12.43 O ATOM 536 CB ALA A 88 12.382 -19.665 -8.108 1.00 9.49 C ATOM 0 H ALA A 88 14.430 -21.260 -8.477 1.00 11.04 H new ATOM 0 HA ALA A 88 13.209 -19.341 -9.966 1.00 10.11 H new ATOM 0 HB1 ALA A 88 11.966 -18.793 -8.023 1.00 9.49 H new ATOM 0 HB2 ALA A 88 11.729 -20.304 -8.433 1.00 9.49 H new ATOM 0 HB3 ALA A 88 12.710 -19.952 -7.241 1.00 9.49 H new ATOM 537 N VAL A 89 14.480 -17.373 -9.485 1.00 8.72 N ATOM 538 CA VAL A 89 15.438 -16.329 -9.369 1.00 7.39 C ATOM 539 C VAL A 89 14.755 -14.978 -9.062 1.00 7.65 C ATOM 540 O VAL A 89 14.480 -14.176 -9.983 1.00 7.79 O ATOM 541 CB VAL A 89 16.449 -16.263 -10.591 1.00 7.35 C ATOM 542 CG1 VAL A 89 17.488 -15.181 -10.337 1.00 6.24 C ATOM 543 CG2 VAL A 89 17.115 -17.611 -10.824 1.00 7.94 C ATOM 0 H VAL A 89 13.887 -17.245 -10.095 1.00 8.72 H new ATOM 0 HA VAL A 89 15.998 -16.542 -8.606 1.00 7.39 H new ATOM 0 HB VAL A 89 15.953 -16.041 -11.395 1.00 7.35 H new ATOM 0 HG11 VAL A 89 18.105 -15.142 -11.085 1.00 6.24 H new ATOM 0 HG12 VAL A 89 17.045 -14.324 -10.239 1.00 6.24 H new ATOM 0 HG13 VAL A 89 17.977 -15.386 -9.525 1.00 6.24 H new ATOM 0 HG21 VAL A 89 17.727 -17.545 -11.574 1.00 7.94 H new ATOM 0 HG22 VAL A 89 17.606 -17.871 -10.029 1.00 7.94 H new ATOM 0 HG23 VAL A 89 16.438 -18.278 -11.018 1.00 7.94 H new ATOM 544 N PRO A 90 14.465 -14.726 -7.776 1.00 8.75 N ATOM 545 CA PRO A 90 14.024 -13.388 -7.400 1.00 10.10 C ATOM 546 C PRO A 90 15.095 -12.367 -7.712 1.00 8.62 C ATOM 547 O PRO A 90 16.281 -12.652 -7.582 1.00 9.45 O ATOM 548 CB PRO A 90 13.803 -13.501 -5.865 1.00 8.60 C ATOM 549 CG PRO A 90 14.737 -14.636 -5.467 1.00 11.52 C ATOM 550 CD PRO A 90 14.652 -15.594 -6.582 1.00 8.94 C ATOM 0 HA PRO A 90 13.230 -13.100 -7.878 1.00 10.10 H new ATOM 0 HB2 PRO A 90 14.027 -12.675 -5.408 1.00 8.60 H new ATOM 0 HB3 PRO A 90 12.879 -13.704 -5.649 1.00 8.60 H new ATOM 0 HG2 PRO A 90 15.645 -14.319 -5.343 1.00 11.52 H new ATOM 0 HG3 PRO A 90 14.462 -15.043 -4.630 1.00 11.52 H new ATOM 0 HD2 PRO A 90 15.457 -16.130 -6.654 1.00 8.94 H new ATOM 0 HD3 PRO A 90 13.910 -16.209 -6.468 1.00 8.94 H new ATOM 551 N HIS A 91 14.709 -11.190 -8.173 1.00 10.26 N ATOM 552 CA HIS A 91 15.688 -10.126 -8.293 1.00 10.54 C ATOM 553 C HIS A 91 16.407 -10.011 -6.916 1.00 11.34 C ATOM 554 O HIS A 91 15.755 -10.166 -5.877 1.00 12.41 O ATOM 555 CB HIS A 91 15.074 -8.831 -8.742 1.00 10.73 C ATOM 556 CG HIS A 91 16.094 -7.823 -9.181 1.00 9.21 C ATOM 557 ND1 HIS A 91 16.943 -7.209 -8.300 1.00 10.89 N ATOM 558 CD2 HIS A 91 16.463 -7.402 -10.405 1.00 14.20 C ATOM 559 CE1 HIS A 91 17.712 -6.355 -8.943 1.00 14.63 C ATOM 560 NE2 HIS A 91 17.462 -6.475 -10.232 1.00 13.50 N ATOM 0 H HIS A 91 13.909 -10.989 -8.416 1.00 10.26 H new ATOM 0 HA HIS A 91 16.333 -10.336 -8.986 1.00 10.54 H new ATOM 0 HB2 HIS A 91 14.462 -9.005 -9.474 1.00 10.73 H new ATOM 0 HB3 HIS A 91 14.549 -8.458 -8.016 1.00 10.73 H new ATOM 0 HD2 HIS A 91 16.108 -7.686 -11.216 1.00 14.20 H new ATOM 0 HE1 HIS A 91 18.323 -5.771 -8.556 1.00 14.63 H new ATOM 0 HE2 HIS A 91 17.859 -6.044 -10.861 1.00 13.50 H new ATOM 561 N PRO A 92 17.751 -9.872 -6.909 1.00 12.25 N ATOM 562 CA PRO A 92 18.517 -9.860 -5.609 1.00 11.77 C ATOM 563 C PRO A 92 18.291 -8.674 -4.690 1.00 12.57 C ATOM 564 O PRO A 92 18.567 -8.765 -3.435 1.00 12.32 O ATOM 565 CB PRO A 92 19.976 -9.967 -6.043 1.00 10.70 C ATOM 566 CG PRO A 92 19.977 -9.654 -7.510 1.00 11.94 C ATOM 567 CD PRO A 92 18.656 -9.858 -8.096 1.00 12.54 C ATOM 0 HA PRO A 92 18.207 -10.589 -5.049 1.00 11.77 H new ATOM 0 HB2 PRO A 92 20.534 -9.344 -5.552 1.00 10.70 H new ATOM 0 HB3 PRO A 92 20.327 -10.855 -5.874 1.00 10.70 H new ATOM 0 HG2 PRO A 92 20.255 -8.735 -7.647 1.00 11.94 H new ATOM 0 HG3 PRO A 92 20.624 -10.217 -7.963 1.00 11.94 H new ATOM 0 HD2 PRO A 92 18.425 -9.147 -8.714 1.00 12.54 H new ATOM 0 HD3 PRO A 92 18.609 -10.691 -8.592 1.00 12.54 H new ATOM 568 N ASP A 93 17.784 -7.575 -5.268 1.00 11.68 N ATOM 569 CA ASP A 93 17.465 -6.355 -4.471 1.00 11.29 C ATOM 570 C ASP A 93 15.987 -6.299 -4.015 1.00 10.53 C ATOM 571 O ASP A 93 15.550 -5.325 -3.340 1.00 10.25 O ATOM 572 CB ASP A 93 17.899 -5.079 -5.220 1.00 12.08 C ATOM 573 CG ASP A 93 19.395 -5.104 -5.594 1.00 13.19 C ATOM 574 OD1 ASP A 93 20.214 -5.456 -4.708 1.00 19.48 O ATOM 575 OD2 ASP A 93 19.726 -4.885 -6.779 1.00 13.42 O ATOM 0 H ASP A 93 17.616 -7.506 -6.109 1.00 11.68 H new ATOM 0 HA ASP A 93 17.983 -6.407 -3.653 1.00 11.29 H new ATOM 0 HB2 ASP A 93 17.367 -4.982 -6.026 1.00 12.08 H new ATOM 0 HB3 ASP A 93 17.719 -4.303 -4.666 1.00 12.08 H new ATOM 576 N SER A 94 15.232 -7.357 -4.343 1.00 9.82 N ATOM 577 CA ASER A 94 13.832 -7.442 -3.926 0.50 9.33 C ATOM 578 CA BSER A 94 13.821 -7.467 -3.916 0.50 9.71 C ATOM 579 C SER A 94 13.767 -7.677 -2.423 1.00 8.70 C ATOM 580 O SER A 94 14.622 -8.409 -1.847 1.00 11.23 O ATOM 581 CB ASER A 94 13.077 -8.537 -4.724 0.50 9.46 C ATOM 582 CB BSER A 94 13.080 -8.629 -4.633 0.50 9.84 C ATOM 583 OG ASER A 94 13.583 -9.835 -4.476 0.50 5.23 O ATOM 584 OG BSER A 94 11.728 -8.753 -4.164 0.50 8.07 O ATOM 0 H ASER A 94 15.512 -8.028 -4.802 0.50 9.82 H new ATOM 0 H BSER A 94 15.514 -8.021 -4.811 0.50 9.82 H new ATOM 0 HA ASER A 94 13.385 -6.604 -4.122 0.50 9.71 H new ATOM 0 HA BSER A 94 13.373 -6.642 -4.159 0.50 9.71 H new ATOM 0 HB2ASER A 94 12.135 -8.511 -4.492 0.50 9.84 H new ATOM 0 HB2BSER A 94 13.080 -8.473 -5.590 0.50 9.84 H new ATOM 0 HB3ASER A 94 13.141 -8.344 -5.672 0.50 9.84 H new ATOM 0 HB3BSER A 94 13.555 -9.461 -4.481 0.50 9.84 H new ATOM 0 HG ASER A 94 14.332 -9.920 -4.847 0.50 8.07 H new ATOM 0 HG BSER A 94 11.410 -7.989 -4.019 0.50 8.07 H new ATOM 585 N GLN A 95 12.800 -7.034 -1.777 1.00 10.37 N ATOM 586 CA GLN A 95 12.568 -7.238 -0.361 1.00 11.67 C ATOM 587 C GLN A 95 11.099 -7.450 -0.160 1.00 10.99 C ATOM 588 O GLN A 95 10.281 -6.907 -0.927 1.00 10.45 O ATOM 589 CB GLN A 95 12.998 -6.071 0.497 1.00 12.48 C ATOM 590 CG GLN A 95 14.417 -5.672 0.398 1.00 18.06 C ATOM 591 CD GLN A 95 14.544 -4.271 0.901 1.00 21.18 C ATOM 592 OE1 GLN A 95 13.724 -3.811 1.733 1.00 27.35 O ATOM 593 NE2 GLN A 95 15.521 -3.571 0.411 1.00 24.48 N ATOM 0 H GLN A 95 12.265 -6.472 -2.148 1.00 10.37 H new ATOM 0 HA GLN A 95 13.099 -8.003 -0.089 1.00 11.67 H new ATOM 0 HB2 GLN A 95 12.450 -5.305 0.266 1.00 12.48 H new ATOM 0 HB3 GLN A 95 12.807 -6.287 1.423 1.00 12.48 H new ATOM 0 HG2 GLN A 95 14.974 -6.271 0.920 1.00 18.06 H new ATOM 0 HG3 GLN A 95 14.722 -5.730 -0.521 1.00 18.06 H new ATOM 0 HE21 GLN A 95 16.061 -3.925 -0.157 1.00 24.48 H new ATOM 0 HE22 GLN A 95 15.629 -2.753 0.655 1.00 24.48 H new ATOM 594 N PRO A 96 10.740 -8.215 0.892 1.00 10.95 N ATOM 595 CA PRO A 96 9.337 -8.613 1.079 1.00 10.41 C ATOM 596 C PRO A 96 8.381 -7.431 1.368 1.00 10.06 C ATOM 597 O PRO A 96 7.176 -7.556 1.044 1.00 9.85 O ATOM 598 CB PRO A 96 9.399 -9.601 2.247 1.00 9.12 C ATOM 599 CG PRO A 96 10.580 -9.033 3.066 1.00 11.87 C ATOM 600 CD PRO A 96 11.593 -8.657 1.990 1.00 10.12 C ATOM 0 HA PRO A 96 8.966 -8.996 0.269 1.00 10.41 H new ATOM 0 HB2 PRO A 96 8.574 -9.616 2.757 1.00 9.12 H new ATOM 0 HB3 PRO A 96 9.564 -10.509 1.949 1.00 9.12 H new ATOM 0 HG2 PRO A 96 10.314 -8.264 3.594 1.00 11.87 H new ATOM 0 HG3 PRO A 96 10.938 -9.690 3.683 1.00 11.87 H new ATOM 0 HD2 PRO A 96 12.191 -7.954 2.288 1.00 10.12 H new ATOM 0 HD3 PRO A 96 12.146 -9.412 1.736 1.00 10.12 H new ATOM 601 N ASP A 97 8.874 -6.305 1.931 1.00 8.93 N ATOM 602 CA ASP A 97 7.981 -5.104 2.184 1.00 8.85 C ATOM 603 C ASP A 97 7.958 -3.996 1.111 1.00 9.15 C ATOM 604 O ASP A 97 7.311 -2.911 1.301 1.00 6.96 O ATOM 605 CB ASP A 97 8.260 -4.421 3.543 1.00 10.87 C ATOM 606 CG ASP A 97 9.609 -3.662 3.592 1.00 10.82 C ATOM 607 OD1 ASP A 97 10.536 -4.009 2.841 1.00 11.17 O ATOM 608 OD2 ASP A 97 9.735 -2.701 4.411 1.00 11.88 O ATOM 0 H ASP A 97 9.693 -6.202 2.172 1.00 8.93 H new ATOM 0 HA ASP A 97 7.110 -5.530 2.165 1.00 8.85 H new ATOM 0 HB2 ASP A 97 7.541 -3.800 3.737 1.00 10.87 H new ATOM 0 HB3 ASP A 97 8.251 -5.093 4.242 1.00 10.87 H new ATOM 609 N THR A 98 8.680 -4.192 0.009 1.00 8.42 N ATOM 610 CA THR A 98 8.615 -3.123 -1.036 1.00 8.27 C ATOM 611 C THR A 98 8.102 -3.687 -2.359 1.00 8.63 C ATOM 612 O THR A 98 8.067 -4.916 -2.533 1.00 7.92 O ATOM 613 CB THR A 98 9.974 -2.508 -1.337 1.00 8.53 C ATOM 614 OG1 THR A 98 10.767 -3.429 -2.136 1.00 8.58 O ATOM 615 CG2 THR A 98 10.690 -2.130 -0.004 1.00 6.43 C ATOM 0 H THR A 98 9.179 -4.871 -0.162 1.00 8.42 H new ATOM 0 HA THR A 98 8.019 -2.449 -0.673 1.00 8.27 H new ATOM 0 HB THR A 98 9.860 -1.694 -1.852 1.00 8.53 H new ATOM 0 HG1 THR A 98 11.583 -3.255 -2.037 1.00 8.58 H new ATOM 0 HG21 THR A 98 11.555 -1.739 -0.201 1.00 6.43 H new ATOM 0 HG22 THR A 98 10.149 -1.489 0.484 1.00 6.43 H new ATOM 0 HG23 THR A 98 10.811 -2.927 0.536 1.00 6.43 H new ATOM 616 N ILE A 99 7.704 -2.777 -3.260 1.00 9.23 N ATOM 617 CA ILE A 99 7.383 -3.158 -4.637 1.00 10.89 C ATOM 618 C ILE A 99 8.560 -2.757 -5.550 1.00 10.43 C ATOM 619 O ILE A 99 8.363 -2.601 -6.810 1.00 8.99 O ATOM 620 CB ILE A 99 6.049 -2.492 -5.174 1.00 10.51 C ATOM 621 CG1 ILE A 99 6.051 -0.961 -5.024 1.00 13.46 C ATOM 622 CG2 ILE A 99 4.829 -3.130 -4.484 1.00 15.25 C ATOM 623 CD1 ILE A 99 5.728 -0.195 -6.290 1.00 19.04 C ATOM 0 H ILE A 99 7.615 -1.938 -3.091 1.00 9.23 H new ATOM 0 HA ILE A 99 7.240 -4.117 -4.647 1.00 10.89 H new ATOM 0 HB ILE A 99 5.994 -2.665 -6.127 1.00 10.51 H new ATOM 0 HG12 ILE A 99 5.408 -0.715 -4.340 1.00 13.46 H new ATOM 0 HG13 ILE A 99 6.924 -0.681 -4.706 1.00 13.46 H new ATOM 0 HG21 ILE A 99 4.016 -2.718 -4.817 1.00 15.25 H new ATOM 0 HG22 ILE A 99 4.810 -4.081 -4.674 1.00 15.25 H new ATOM 0 HG23 ILE A 99 4.891 -2.993 -3.526 1.00 15.25 H new ATOM 0 HD11 ILE A 99 5.751 0.757 -6.107 1.00 19.04 H new ATOM 0 HD12 ILE A 99 6.382 -0.408 -6.973 1.00 19.04 H new ATOM 0 HD13 ILE A 99 4.843 -0.443 -6.602 1.00 19.04 H new ATOM 624 N ASP A 100 9.751 -2.569 -4.954 1.00 8.04 N ATOM 625 CA ASP A 100 10.938 -2.238 -5.758 1.00 8.30 C ATOM 626 C ASP A 100 11.599 -3.515 -6.310 1.00 8.39 C ATOM 627 O ASP A 100 11.665 -4.507 -5.612 1.00 8.12 O ATOM 628 CB ASP A 100 11.932 -1.482 -4.910 1.00 9.17 C ATOM 629 CG ASP A 100 11.362 -0.163 -4.427 1.00 12.41 C ATOM 630 OD1 ASP A 100 10.726 0.541 -5.255 1.00 11.84 O ATOM 631 OD2 ASP A 100 11.550 0.131 -3.227 1.00 15.84 O ATOM 0 H ASP A 100 9.889 -2.627 -4.107 1.00 8.04 H new ATOM 0 HA ASP A 100 10.658 -1.687 -6.505 1.00 8.30 H new ATOM 0 HB2 ASP A 100 12.187 -2.024 -4.147 1.00 9.17 H new ATOM 0 HB3 ASP A 100 12.739 -1.318 -5.423 1.00 9.17 H new ATOM 632 N HIS A 101 12.018 -3.514 -7.574 1.00 8.20 N ATOM 633 CA HIS A 101 12.805 -4.680 -8.120 1.00 8.05 C ATOM 634 C HIS A 101 11.934 -5.950 -8.095 1.00 7.26 C ATOM 635 O HIS A 101 12.400 -7.122 -7.835 1.00 6.72 O ATOM 636 CB HIS A 101 14.174 -4.893 -7.393 1.00 7.34 C ATOM 637 CG HIS A 101 14.841 -3.612 -6.993 1.00 10.56 C ATOM 638 ND1 HIS A 101 15.265 -2.680 -7.919 1.00 12.79 N ATOM 639 CD2 HIS A 101 15.058 -3.063 -5.769 1.00 10.52 C ATOM 640 CE1 HIS A 101 15.691 -1.594 -7.282 1.00 14.68 C ATOM 641 NE2 HIS A 101 15.575 -1.799 -5.977 1.00 12.05 N ATOM 0 H HIS A 101 11.874 -2.878 -8.135 1.00 8.20 H new ATOM 0 HA HIS A 101 13.036 -4.475 -9.039 1.00 8.05 H new ATOM 0 HB2 HIS A 101 14.032 -5.436 -6.602 1.00 7.34 H new ATOM 0 HB3 HIS A 101 14.768 -5.391 -7.976 1.00 7.34 H new ATOM 0 HD2 HIS A 101 14.890 -3.463 -4.946 1.00 10.52 H new ATOM 0 HE1 HIS A 101 16.016 -0.821 -7.684 1.00 14.68 H new ATOM 0 HE2 HIS A 101 15.787 -1.237 -5.361 1.00 12.05 H new ATOM 642 N ASP A 102 10.644 -5.737 -8.394 1.00 7.37 N ATOM 643 CA ASP A 102 9.664 -6.793 -8.075 1.00 7.88 C ATOM 644 C ASP A 102 9.488 -7.791 -9.233 1.00 9.11 C ATOM 645 O ASP A 102 8.399 -7.883 -9.798 1.00 9.36 O ATOM 646 CB ASP A 102 8.313 -6.219 -7.624 1.00 8.53 C ATOM 647 CG ASP A 102 7.335 -7.305 -7.080 1.00 3.63 C ATOM 648 OD1 ASP A 102 7.687 -8.500 -6.769 1.00 13.36 O ATOM 649 OD2 ASP A 102 6.212 -6.926 -6.918 1.00 7.92 O ATOM 0 H ASP A 102 10.326 -5.028 -8.762 1.00 7.37 H new ATOM 0 HA ASP A 102 10.031 -7.284 -7.323 1.00 7.88 H new ATOM 0 HB2 ASP A 102 8.465 -5.554 -6.934 1.00 8.53 H new ATOM 0 HB3 ASP A 102 7.896 -5.762 -8.372 1.00 8.53 H new ATOM 650 N LEU A 103 10.596 -8.441 -9.614 1.00 7.29 N ATOM 651 CA LEU A 103 10.621 -9.398 -10.706 1.00 7.49 C ATOM 652 C LEU A 103 11.222 -10.704 -10.208 1.00 7.07 C ATOM 653 O LEU A 103 12.042 -10.723 -9.257 1.00 6.76 O ATOM 654 CB LEU A 103 11.431 -8.888 -11.909 1.00 7.70 C ATOM 655 CG LEU A 103 11.085 -7.557 -12.576 1.00 10.44 C ATOM 656 CD1 LEU A 103 12.138 -7.274 -13.662 1.00 11.11 C ATOM 657 CD2 LEU A 103 9.698 -7.567 -13.166 1.00 8.22 C ATOM 0 H LEU A 103 11.360 -8.330 -9.234 1.00 7.29 H new ATOM 0 HA LEU A 103 9.708 -9.532 -11.005 1.00 7.49 H new ATOM 0 HB2 LEU A 103 12.357 -8.833 -11.627 1.00 7.70 H new ATOM 0 HB3 LEU A 103 11.384 -9.572 -12.595 1.00 7.70 H new ATOM 0 HG LEU A 103 11.095 -6.855 -11.907 1.00 10.44 H new ATOM 0 HD11 LEU A 103 11.935 -6.431 -14.098 1.00 11.11 H new ATOM 0 HD12 LEU A 103 13.017 -7.224 -13.255 1.00 11.11 H new ATOM 0 HD13 LEU A 103 12.126 -7.988 -14.318 1.00 11.11 H new ATOM 0 HD21 LEU A 103 9.516 -6.708 -13.579 1.00 8.22 H new ATOM 0 HD22 LEU A 103 9.636 -8.267 -13.835 1.00 8.22 H new ATOM 0 HD23 LEU A 103 9.049 -7.732 -12.464 1.00 8.22 H new ATOM 658 N LEU A 104 10.800 -11.773 -10.863 1.00 4.87 N ATOM 659 CA LEU A 104 11.173 -13.158 -10.511 1.00 6.35 C ATOM 660 C LEU A 104 11.335 -13.881 -11.824 1.00 7.13 C ATOM 661 O LEU A 104 10.409 -13.877 -12.646 1.00 8.54 O ATOM 662 CB LEU A 104 10.055 -13.821 -9.670 1.00 7.38 C ATOM 663 CG LEU A 104 9.905 -15.355 -9.550 1.00 2.73 C ATOM 664 CD1 LEU A 104 11.013 -15.810 -8.492 1.00 9.51 C ATOM 665 CD2 LEU A 104 8.473 -15.795 -9.101 1.00 7.64 C ATOM 0 H LEU A 104 10.276 -11.725 -11.543 1.00 4.87 H new ATOM 0 HA LEU A 104 11.985 -13.186 -9.981 1.00 6.35 H new ATOM 0 HB2 LEU A 104 10.148 -13.480 -8.767 1.00 7.38 H new ATOM 0 HB3 LEU A 104 9.213 -13.486 -10.015 1.00 7.38 H new ATOM 0 HG LEU A 104 10.029 -15.778 -10.414 1.00 2.73 H new ATOM 0 HD11 LEU A 104 10.970 -16.772 -8.371 1.00 9.51 H new ATOM 0 HD12 LEU A 104 11.893 -15.564 -8.819 1.00 9.51 H new ATOM 0 HD13 LEU A 104 10.850 -15.371 -7.643 1.00 9.51 H new ATOM 0 HD21 LEU A 104 8.435 -16.762 -9.042 1.00 7.64 H new ATOM 0 HD22 LEU A 104 8.273 -15.411 -8.233 1.00 7.64 H new ATOM 0 HD23 LEU A 104 7.821 -15.485 -9.749 1.00 7.64 H new ATOM 666 N LEU A 105 12.499 -14.469 -12.054 1.00 7.67 N ATOM 667 CA LEU A 105 12.680 -15.352 -13.225 1.00 8.30 C ATOM 668 C LEU A 105 12.607 -16.843 -12.832 1.00 8.23 C ATOM 669 O LEU A 105 13.377 -17.317 -12.014 1.00 11.25 O ATOM 670 CB LEU A 105 13.974 -15.098 -13.972 1.00 6.76 C ATOM 671 CG LEU A 105 13.753 -13.985 -14.997 1.00 8.81 C ATOM 672 CD1 LEU A 105 15.045 -13.390 -15.371 1.00 7.80 C ATOM 673 CD2 LEU A 105 12.873 -14.429 -16.205 1.00 8.60 C ATOM 0 H LEU A 105 13.196 -14.379 -11.558 1.00 7.67 H new ATOM 0 HA LEU A 105 11.945 -15.136 -13.820 1.00 8.30 H new ATOM 0 HB2 LEU A 105 14.675 -14.846 -13.350 1.00 6.76 H new ATOM 0 HB3 LEU A 105 14.268 -15.908 -14.417 1.00 6.76 H new ATOM 0 HG LEU A 105 13.225 -13.284 -14.584 1.00 8.81 H new ATOM 0 HD11 LEU A 105 14.901 -12.685 -16.021 1.00 7.80 H new ATOM 0 HD12 LEU A 105 15.471 -13.020 -14.582 1.00 7.80 H new ATOM 0 HD13 LEU A 105 15.616 -14.073 -15.757 1.00 7.80 H new ATOM 0 HD21 LEU A 105 12.767 -13.686 -16.819 1.00 8.60 H new ATOM 0 HD22 LEU A 105 13.302 -15.168 -16.664 1.00 8.60 H new ATOM 0 HD23 LEU A 105 12.001 -14.709 -15.885 1.00 8.60 H new ATOM 674 N LEU A 106 11.702 -17.557 -13.463 1.00 9.80 N ATOM 675 CA LEU A 106 11.466 -18.977 -13.168 1.00 7.72 C ATOM 676 C LEU A 106 11.969 -19.822 -14.338 1.00 7.94 C ATOM 677 O LEU A 106 11.490 -19.695 -15.443 1.00 9.50 O ATOM 678 CB LEU A 106 10.003 -19.228 -12.960 1.00 7.56 C ATOM 679 CG LEU A 106 9.350 -18.410 -11.806 1.00 5.70 C ATOM 680 CD1 LEU A 106 7.866 -18.426 -12.045 1.00 12.16 C ATOM 681 CD2 LEU A 106 9.746 -19.218 -10.539 1.00 7.90 C ATOM 0 H LEU A 106 11.196 -17.241 -14.082 1.00 9.80 H new ATOM 0 HA LEU A 106 11.942 -19.218 -12.358 1.00 7.72 H new ATOM 0 HB2 LEU A 106 9.534 -19.028 -13.785 1.00 7.56 H new ATOM 0 HB3 LEU A 106 9.873 -20.173 -12.782 1.00 7.56 H new ATOM 0 HG LEU A 106 9.625 -17.483 -11.732 1.00 5.70 H new ATOM 0 HD11 LEU A 106 7.420 -17.925 -11.345 1.00 12.16 H new ATOM 0 HD12 LEU A 106 7.672 -18.022 -12.905 1.00 12.16 H new ATOM 0 HD13 LEU A 106 7.547 -19.342 -12.040 1.00 12.16 H new ATOM 0 HD21 LEU A 106 9.382 -18.784 -9.751 1.00 7.90 H new ATOM 0 HD22 LEU A 106 9.391 -20.118 -10.605 1.00 7.90 H new ATOM 0 HD23 LEU A 106 10.713 -19.256 -10.468 1.00 7.90 H new ATOM 682 N GLN A 107 12.882 -20.734 -14.062 1.00 7.64 N ATOM 683 CA GLN A 107 13.357 -21.620 -15.088 1.00 6.96 C ATOM 684 C GLN A 107 12.652 -22.954 -15.093 1.00 7.36 C ATOM 685 O GLN A 107 12.641 -23.689 -14.131 1.00 7.59 O ATOM 686 CB GLN A 107 14.865 -21.775 -15.006 1.00 6.94 C ATOM 687 CG GLN A 107 15.394 -22.865 -15.867 1.00 9.70 C ATOM 688 CD GLN A 107 16.871 -23.080 -15.595 1.00 12.41 C ATOM 689 OE1 GLN A 107 17.251 -23.376 -14.482 1.00 14.68 O ATOM 690 NE2 GLN A 107 17.683 -22.907 -16.613 1.00 10.65 N ATOM 0 H GLN A 107 13.236 -20.852 -13.287 1.00 7.64 H new ATOM 0 HA GLN A 107 13.140 -21.209 -15.939 1.00 6.96 H new ATOM 0 HB2 GLN A 107 15.284 -20.938 -15.261 1.00 6.94 H new ATOM 0 HB3 GLN A 107 15.116 -21.949 -14.085 1.00 6.94 H new ATOM 0 HG2 GLN A 107 14.905 -23.685 -15.698 1.00 9.70 H new ATOM 0 HG3 GLN A 107 15.260 -22.642 -16.801 1.00 9.70 H new ATOM 0 HE21 GLN A 107 17.367 -22.697 -17.385 1.00 10.65 H new ATOM 0 HE22 GLN A 107 18.531 -23.003 -16.508 1.00 10.65 H new ATOM 691 N LEU A 108 12.013 -23.240 -16.213 1.00 8.49 N ATOM 692 CA LEU A 108 11.170 -24.416 -16.335 1.00 9.98 C ATOM 693 C LEU A 108 12.057 -25.701 -16.246 1.00 11.01 C ATOM 694 O LEU A 108 13.243 -25.714 -16.631 1.00 10.37 O ATOM 695 CB LEU A 108 10.416 -24.411 -17.656 1.00 9.63 C ATOM 696 CG LEU A 108 9.569 -23.128 -17.926 1.00 11.54 C ATOM 697 CD1 LEU A 108 8.840 -23.293 -19.245 1.00 8.51 C ATOM 698 CD2 LEU A 108 8.509 -22.790 -16.814 1.00 12.56 C ATOM 0 H LEU A 108 12.055 -22.759 -16.925 1.00 8.49 H new ATOM 0 HA LEU A 108 10.523 -24.408 -15.613 1.00 9.98 H new ATOM 0 HB2 LEU A 108 11.055 -24.519 -18.378 1.00 9.63 H new ATOM 0 HB3 LEU A 108 9.828 -25.182 -17.680 1.00 9.63 H new ATOM 0 HG LEU A 108 10.199 -22.391 -17.936 1.00 11.54 H new ATOM 0 HD11 LEU A 108 8.310 -22.501 -19.423 1.00 8.51 H new ATOM 0 HD12 LEU A 108 9.485 -23.417 -19.958 1.00 8.51 H new ATOM 0 HD13 LEU A 108 8.258 -24.067 -19.198 1.00 8.51 H new ATOM 0 HD21 LEU A 108 8.029 -21.983 -17.059 1.00 12.56 H new ATOM 0 HD22 LEU A 108 7.882 -23.525 -16.730 1.00 12.56 H new ATOM 0 HD23 LEU A 108 8.961 -22.653 -15.967 1.00 12.56 H new ATOM 699 N SER A 109 11.454 -26.756 -15.761 1.00 11.17 N ATOM 700 CA SER A 109 12.157 -28.086 -15.609 1.00 13.10 C ATOM 701 C SER A 109 12.812 -28.520 -16.931 1.00 12.74 C ATOM 702 O SER A 109 13.947 -29.032 -16.965 1.00 13.70 O ATOM 703 CB SER A 109 11.164 -29.132 -15.124 1.00 12.38 C ATOM 704 OG SER A 109 9.986 -29.176 -15.951 1.00 18.18 O ATOM 0 H SER A 109 10.634 -26.760 -15.502 1.00 11.17 H new ATOM 0 HA SER A 109 12.865 -27.994 -14.952 1.00 13.10 H new ATOM 0 HB2 SER A 109 11.589 -30.004 -15.120 1.00 12.38 H new ATOM 0 HB3 SER A 109 10.909 -28.936 -14.209 1.00 12.38 H new ATOM 0 HG SER A 109 9.542 -29.866 -15.770 1.00 18.18 H new ATOM 705 N GLU A 110 12.111 -28.272 -18.034 1.00 13.56 N ATOM 706 CA GLU A 110 12.719 -28.386 -19.371 1.00 15.79 C ATOM 707 C GLU A 110 12.187 -27.296 -20.301 1.00 15.63 C ATOM 708 O GLU A 110 11.273 -26.563 -19.938 1.00 14.29 O ATOM 709 CB GLU A 110 12.337 -29.742 -19.949 1.00 15.70 C ATOM 710 CG GLU A 110 10.864 -29.955 -19.804 1.00 19.80 C ATOM 711 CD GLU A 110 10.473 -31.360 -20.081 1.00 27.47 C ATOM 712 OE1 GLU A 110 10.086 -31.622 -21.252 1.00 29.97 O ATOM 713 OE2 GLU A 110 10.556 -32.189 -19.138 1.00 27.45 O ATOM 0 H GLU A 110 11.284 -28.037 -18.037 1.00 13.56 H new ATOM 0 HA GLU A 110 13.681 -28.291 -19.294 1.00 15.79 H new ATOM 0 HB2 GLU A 110 12.589 -29.787 -20.885 1.00 15.70 H new ATOM 0 HB3 GLU A 110 12.821 -30.447 -19.491 1.00 15.70 H new ATOM 0 HG2 GLU A 110 10.591 -29.716 -18.904 1.00 19.80 H new ATOM 0 HG3 GLU A 110 10.392 -29.364 -20.411 1.00 19.80 H new ATOM 714 N LYS A 111 12.762 -27.207 -21.496 1.00 14.95 N ATOM 715 CA LYS A 111 12.264 -26.322 -22.515 1.00 15.37 C ATOM 716 C LYS A 111 10.814 -26.571 -22.782 1.00 13.98 C ATOM 717 O LYS A 111 10.398 -27.707 -23.003 1.00 15.65 O ATOM 718 CB LYS A 111 13.047 -26.452 -23.799 1.00 15.04 C ATOM 719 CG LYS A 111 14.493 -26.092 -23.617 1.00 18.66 C ATOM 720 CD LYS A 111 15.277 -26.255 -24.901 1.00 25.06 C ATOM 721 CE LYS A 111 15.514 -24.898 -25.537 1.00 29.79 C ATOM 722 NZ LYS A 111 16.481 -25.046 -26.655 1.00 32.45 N ATOM 0 H LYS A 111 13.453 -27.663 -21.730 1.00 14.95 H new ATOM 0 HA LYS A 111 12.373 -25.418 -22.181 1.00 15.37 H new ATOM 0 HB2 LYS A 111 12.980 -27.363 -24.126 1.00 15.04 H new ATOM 0 HB3 LYS A 111 12.655 -25.878 -24.475 1.00 15.04 H new ATOM 0 HG2 LYS A 111 14.562 -25.175 -23.310 1.00 18.66 H new ATOM 0 HG3 LYS A 111 14.882 -26.652 -22.927 1.00 18.66 H new ATOM 0 HD2 LYS A 111 16.126 -26.688 -24.718 1.00 25.06 H new ATOM 0 HD3 LYS A 111 14.792 -26.829 -25.515 1.00 25.06 H new ATOM 0 HE2 LYS A 111 14.678 -24.532 -25.864 1.00 29.79 H new ATOM 0 HE3 LYS A 111 15.858 -24.275 -24.878 1.00 29.79 H new ATOM 0 HZ1 LYS A 111 16.623 -24.252 -27.032 1.00 32.45 H new ATOM 0 HZ2 LYS A 111 17.250 -25.368 -26.342 1.00 32.45 H new ATOM 0 HZ3 LYS A 111 16.150 -25.607 -27.262 1.00 32.45 H new ATOM 723 N ALA A 112 10.070 -25.477 -22.739 1.00 14.30 N ATOM 724 CA ALA A 112 8.685 -25.396 -23.193 1.00 14.48 C ATOM 725 C ALA A 112 8.586 -26.016 -24.559 1.00 13.94 C ATOM 726 O ALA A 112 9.425 -25.758 -25.440 1.00 12.66 O ATOM 727 CB ALA A 112 8.213 -23.943 -23.217 1.00 15.24 C ATOM 0 H ALA A 112 10.367 -24.730 -22.433 1.00 14.30 H new ATOM 0 HA ALA A 112 8.110 -25.880 -22.579 1.00 14.48 H new ATOM 0 HB1 ALA A 112 7.292 -23.907 -23.520 1.00 15.24 H new ATOM 0 HB2 ALA A 112 8.274 -23.568 -22.325 1.00 15.24 H new ATOM 0 HB3 ALA A 112 8.773 -23.431 -23.821 1.00 15.24 H new ATOM 728 N THR A 113 7.608 -26.917 -24.707 1.00 13.85 N ATOM 729 CA THR A 113 7.187 -27.298 -26.025 1.00 12.31 C ATOM 730 C THR A 113 6.512 -26.085 -26.706 1.00 11.81 C ATOM 731 O THR A 113 5.400 -25.615 -26.332 1.00 11.18 O ATOM 732 CB THR A 113 6.242 -28.468 -26.031 1.00 12.98 C ATOM 733 OG1 THR A 113 6.840 -29.611 -25.357 1.00 15.95 O ATOM 734 CG2 THR A 113 5.880 -28.753 -27.506 1.00 12.39 C ATOM 0 H THR A 113 7.192 -27.304 -24.061 1.00 13.85 H new ATOM 0 HA THR A 113 7.979 -27.577 -26.511 1.00 12.31 H new ATOM 0 HB THR A 113 5.429 -28.274 -25.539 1.00 12.98 H new ATOM 0 HG1 THR A 113 6.301 -30.256 -25.367 1.00 15.95 H new ATOM 0 HG21 THR A 113 5.269 -29.505 -27.550 1.00 12.39 H new ATOM 0 HG22 THR A 113 5.457 -27.970 -27.893 1.00 12.39 H new ATOM 0 HG23 THR A 113 6.686 -28.963 -28.003 1.00 12.39 H new ATOM 735 N LEU A 114 7.170 -25.580 -27.716 1.00 11.30 N ATOM 736 CA LEU A 114 6.677 -24.345 -28.365 1.00 11.85 C ATOM 737 C LEU A 114 5.732 -24.624 -29.523 1.00 11.69 C ATOM 738 O LEU A 114 5.787 -25.697 -30.144 1.00 11.45 O ATOM 739 CB LEU A 114 7.821 -23.482 -28.816 1.00 12.66 C ATOM 740 CG LEU A 114 8.893 -22.961 -27.823 1.00 14.22 C ATOM 741 CD1 LEU A 114 9.518 -21.781 -28.463 1.00 14.17 C ATOM 742 CD2 LEU A 114 8.326 -22.538 -26.475 1.00 17.31 C ATOM 0 H LEU A 114 7.890 -25.911 -28.051 1.00 11.30 H new ATOM 0 HA LEU A 114 6.167 -23.867 -27.693 1.00 11.85 H new ATOM 0 HB2 LEU A 114 8.293 -23.978 -29.503 1.00 12.66 H new ATOM 0 HB3 LEU A 114 7.433 -22.703 -29.244 1.00 12.66 H new ATOM 0 HG LEU A 114 9.518 -23.681 -27.641 1.00 14.22 H new ATOM 0 HD11 LEU A 114 10.200 -21.418 -27.876 1.00 14.17 H new ATOM 0 HD12 LEU A 114 9.923 -22.045 -29.304 1.00 14.17 H new ATOM 0 HD13 LEU A 114 8.841 -21.106 -28.629 1.00 14.17 H new ATOM 0 HD21 LEU A 114 9.046 -22.224 -25.905 1.00 17.31 H new ATOM 0 HD22 LEU A 114 7.682 -21.824 -26.604 1.00 17.31 H new ATOM 0 HD23 LEU A 114 7.889 -23.295 -26.056 1.00 17.31 H new ATOM 743 N GLY A 115 4.890 -23.639 -29.829 1.00 11.41 N ATOM 744 CA GLY A 115 3.861 -23.762 -30.852 1.00 9.51 C ATOM 745 C GLY A 115 2.936 -22.554 -30.817 1.00 10.51 C ATOM 746 O GLY A 115 3.190 -21.541 -30.077 1.00 10.94 O ATOM 0 H GLY A 115 4.903 -22.871 -29.442 1.00 11.41 H new ATOM 0 HA2 GLY A 115 4.273 -23.837 -31.727 1.00 9.51 H new ATOM 0 HA3 GLY A 115 3.349 -24.574 -30.709 1.00 9.51 H new ATOM 747 N PRO A 118 1.914 -22.552 -31.736 1.00 8.67 N ATOM 748 CA PRO A 118 1.059 -21.347 -31.871 1.00 7.76 C ATOM 749 C PRO A 118 0.398 -20.855 -30.546 1.00 7.92 C ATOM 750 O PRO A 118 0.164 -19.638 -30.381 1.00 7.57 O ATOM 751 CB PRO A 118 0.028 -21.726 -32.972 1.00 7.71 C ATOM 752 CG PRO A 118 0.668 -23.012 -33.674 1.00 10.45 C ATOM 753 CD PRO A 118 1.480 -23.691 -32.616 1.00 8.80 C ATOM 0 HA PRO A 118 1.592 -20.574 -32.114 1.00 7.76 H new ATOM 0 HB2 PRO A 118 -0.842 -21.925 -32.591 1.00 7.71 H new ATOM 0 HB3 PRO A 118 -0.098 -21.002 -33.605 1.00 7.71 H new ATOM 0 HG2 PRO A 118 -0.022 -23.602 -34.015 1.00 10.45 H new ATOM 0 HG3 PRO A 118 1.222 -22.757 -34.428 1.00 10.45 H new ATOM 0 HD2 PRO A 118 0.956 -24.344 -32.126 1.00 8.80 H new ATOM 0 HD3 PRO A 118 2.239 -24.162 -32.994 1.00 8.80 H new ATOM 754 N ALA A 119 0.125 -21.777 -29.635 1.00 6.47 N ATOM 755 CA ALA A 119 -0.384 -21.425 -28.256 1.00 5.76 C ATOM 756 C ALA A 119 0.663 -21.083 -27.175 1.00 6.25 C ATOM 757 O ALA A 119 0.318 -20.784 -26.047 1.00 2.80 O ATOM 758 CB ALA A 119 -1.295 -22.538 -27.724 1.00 6.52 C ATOM 0 H ALA A 119 0.219 -22.621 -29.769 1.00 6.47 H new ATOM 0 HA ALA A 119 -0.859 -20.593 -28.408 1.00 5.76 H new ATOM 0 HB1 ALA A 119 -1.614 -22.300 -26.840 1.00 6.52 H new ATOM 0 HB2 ALA A 119 -2.051 -22.651 -28.321 1.00 6.52 H new ATOM 0 HB3 ALA A 119 -0.796 -23.369 -27.674 1.00 6.52 H new ATOM 759 N VAL A 120 1.947 -21.252 -27.482 1.00 6.64 N ATOM 760 CA VAL A 120 2.956 -21.210 -26.456 1.00 6.19 C ATOM 761 C VAL A 120 4.180 -20.649 -27.144 1.00 8.24 C ATOM 762 O VAL A 120 4.791 -21.309 -27.979 1.00 6.12 O ATOM 763 CB VAL A 120 3.340 -22.618 -25.845 1.00 6.83 C ATOM 764 CG1 VAL A 120 4.489 -22.473 -24.824 1.00 5.49 C ATOM 765 CG2 VAL A 120 2.145 -23.333 -25.239 1.00 6.28 C ATOM 0 H VAL A 120 2.244 -21.391 -28.277 1.00 6.64 H new ATOM 0 HA VAL A 120 2.621 -20.687 -25.711 1.00 6.19 H new ATOM 0 HB VAL A 120 3.650 -23.175 -26.577 1.00 6.83 H new ATOM 0 HG11 VAL A 120 4.711 -23.344 -24.460 1.00 5.49 H new ATOM 0 HG12 VAL A 120 5.268 -22.099 -25.264 1.00 5.49 H new ATOM 0 HG13 VAL A 120 4.211 -21.884 -24.105 1.00 5.49 H new ATOM 0 HG21 VAL A 120 2.428 -24.188 -24.879 1.00 6.28 H new ATOM 0 HG22 VAL A 120 1.770 -22.791 -24.528 1.00 6.28 H new ATOM 0 HG23 VAL A 120 1.473 -23.478 -25.923 1.00 6.28 H new ATOM 766 N ARG A 121 4.498 -19.400 -26.846 1.00 9.48 N ATOM 767 CA ARG A 121 5.538 -18.690 -27.577 1.00 11.64 C ATOM 768 C ARG A 121 6.034 -17.452 -26.828 1.00 10.07 C ATOM 769 O ARG A 121 5.216 -16.677 -26.292 1.00 8.06 O ATOM 770 CB ARG A 121 5.033 -18.307 -28.974 1.00 13.41 C ATOM 771 CG ARG A 121 6.147 -18.329 -30.024 1.00 19.47 C ATOM 772 CD ARG A 121 6.555 -19.779 -30.372 1.00 26.77 C ATOM 773 NE ARG A 121 5.668 -20.378 -31.368 1.00 34.39 N ATOM 774 CZ ARG A 121 5.960 -21.444 -32.117 1.00 35.50 C ATOM 775 NH1 ARG A 121 7.117 -22.077 -31.970 1.00 37.70 N ATOM 776 NH2 ARG A 121 5.076 -21.891 -33.012 1.00 36.46 N ATOM 0 H ARG A 121 4.123 -18.942 -26.222 1.00 9.48 H new ATOM 0 HA ARG A 121 6.295 -19.291 -27.662 1.00 11.64 H new ATOM 0 HB2 ARG A 121 4.329 -18.919 -29.240 1.00 13.41 H new ATOM 0 HB3 ARG A 121 4.640 -17.421 -28.941 1.00 13.41 H new ATOM 0 HG2 ARG A 121 5.849 -17.872 -30.826 1.00 19.47 H new ATOM 0 HG3 ARG A 121 6.918 -17.844 -29.692 1.00 19.47 H new ATOM 0 HD2 ARG A 121 7.466 -19.786 -30.706 1.00 26.77 H new ATOM 0 HD3 ARG A 121 6.545 -20.319 -29.566 1.00 26.77 H new ATOM 0 HE ARG A 121 4.897 -20.015 -31.480 1.00 34.39 H new ATOM 0 HH11 ARG A 121 7.687 -21.801 -31.388 1.00 37.70 H new ATOM 0 HH12 ARG A 121 7.297 -22.763 -32.457 1.00 37.70 H new ATOM 0 HH21 ARG A 121 4.320 -21.492 -33.105 1.00 36.46 H new ATOM 0 HH22 ARG A 121 5.263 -22.578 -33.495 1.00 36.46 H new ATOM 777 N PRO A 122 7.378 -17.312 -26.708 1.00 9.86 N ATOM 778 CA PRO A 122 7.946 -16.177 -25.998 1.00 8.53 C ATOM 779 C PRO A 122 7.526 -14.822 -26.603 1.00 9.13 C ATOM 780 O PRO A 122 7.330 -14.710 -27.845 1.00 9.80 O ATOM 781 CB PRO A 122 9.467 -16.360 -26.182 1.00 8.96 C ATOM 782 CG PRO A 122 9.642 -17.848 -26.361 1.00 9.54 C ATOM 783 CD PRO A 122 8.427 -18.274 -27.152 1.00 10.02 C ATOM 0 HA PRO A 122 7.648 -16.158 -25.075 1.00 8.53 H new ATOM 0 HB2 PRO A 122 9.792 -15.870 -26.953 1.00 8.96 H new ATOM 0 HB3 PRO A 122 9.959 -16.035 -25.411 1.00 8.96 H new ATOM 0 HG2 PRO A 122 10.463 -18.053 -26.835 1.00 9.54 H new ATOM 0 HG3 PRO A 122 9.686 -18.305 -25.506 1.00 9.54 H new ATOM 0 HD2 PRO A 122 8.584 -18.218 -28.108 1.00 10.02 H new ATOM 0 HD3 PRO A 122 8.177 -19.191 -26.959 1.00 10.02 H new ATOM 784 N LEU A 123 7.319 -13.837 -25.735 1.00 8.66 N ATOM 785 CA LEU A 123 7.035 -12.450 -26.194 1.00 8.38 C ATOM 786 C LEU A 123 8.351 -11.647 -26.121 1.00 6.54 C ATOM 787 O LEU A 123 9.044 -11.728 -25.161 1.00 6.27 O ATOM 788 CB LEU A 123 5.985 -11.790 -25.271 1.00 9.43 C ATOM 789 CG LEU A 123 5.486 -10.323 -25.420 1.00 8.56 C ATOM 790 CD1 LEU A 123 4.853 -10.074 -26.794 1.00 15.63 C ATOM 791 CD2 LEU A 123 4.487 -9.988 -24.346 1.00 8.85 C ATOM 0 H LEU A 123 7.335 -13.935 -24.881 1.00 8.66 H new ATOM 0 HA LEU A 123 6.689 -12.465 -27.100 1.00 8.38 H new ATOM 0 HB2 LEU A 123 5.194 -12.350 -25.318 1.00 9.43 H new ATOM 0 HB3 LEU A 123 6.333 -11.866 -24.369 1.00 9.43 H new ATOM 0 HG LEU A 123 6.264 -9.750 -25.331 1.00 8.56 H new ATOM 0 HD11 LEU A 123 4.555 -9.153 -26.851 1.00 15.63 H new ATOM 0 HD12 LEU A 123 5.509 -10.244 -27.488 1.00 15.63 H new ATOM 0 HD13 LEU A 123 4.095 -10.667 -26.913 1.00 15.63 H new ATOM 0 HD21 LEU A 123 4.189 -9.072 -24.456 1.00 8.85 H new ATOM 0 HD22 LEU A 123 3.726 -10.586 -24.414 1.00 8.85 H new ATOM 0 HD23 LEU A 123 4.901 -10.090 -23.475 1.00 8.85 H new ATOM 792 N PRO A 124 8.683 -10.869 -27.142 1.00 8.31 N ATOM 793 CA PRO A 124 9.855 -9.986 -26.990 1.00 7.61 C ATOM 794 C PRO A 124 9.652 -8.940 -25.899 1.00 7.41 C ATOM 795 O PRO A 124 8.517 -8.609 -25.553 1.00 5.51 O ATOM 796 CB PRO A 124 10.010 -9.318 -28.337 1.00 7.68 C ATOM 797 CG PRO A 124 8.951 -9.776 -29.181 1.00 9.64 C ATOM 798 CD PRO A 124 8.028 -10.714 -28.431 1.00 8.47 C ATOM 0 HA PRO A 124 10.640 -10.490 -26.725 1.00 7.61 H new ATOM 0 HB2 PRO A 124 9.976 -8.353 -28.243 1.00 7.68 H new ATOM 0 HB3 PRO A 124 10.872 -9.535 -28.726 1.00 7.68 H new ATOM 0 HG2 PRO A 124 8.446 -9.017 -29.513 1.00 9.64 H new ATOM 0 HG3 PRO A 124 9.322 -10.231 -29.954 1.00 9.64 H new ATOM 0 HD2 PRO A 124 7.138 -10.341 -28.337 1.00 8.47 H new ATOM 0 HD3 PRO A 124 7.933 -11.564 -28.889 1.00 8.47 H new ATOM 799 N TRP A 124A 10.761 -8.484 -25.319 1.00 7.85 N ATOM 800 CA TRP A 124A 10.705 -7.641 -24.123 1.00 7.80 C ATOM 801 C TRP A 124A 11.556 -6.368 -24.309 1.00 8.09 C ATOM 802 O TRP A 124A 12.640 -6.382 -24.935 1.00 10.19 O ATOM 803 CB TRP A 124A 10.983 -8.458 -22.859 1.00 8.56 C ATOM 804 CG TRP A 124A 12.338 -9.054 -22.772 1.00 9.81 C ATOM 805 CD1 TRP A 124A 12.695 -10.321 -23.094 1.00 9.65 C ATOM 806 CD2 TRP A 124A 13.526 -8.387 -22.363 1.00 9.41 C ATOM 807 NE1 TRP A 124A 14.037 -10.518 -22.849 1.00 11.15 N ATOM 808 CE2 TRP A 124A 14.573 -9.341 -22.391 1.00 15.15 C ATOM 809 CE3 TRP A 124A 13.794 -7.109 -21.877 1.00 5.27 C ATOM 810 CZ2 TRP A 124A 15.892 -9.021 -22.042 1.00 10.26 C ATOM 811 CZ3 TRP A 124A 15.116 -6.790 -21.524 1.00 8.66 C ATOM 812 CH2 TRP A 124A 16.129 -7.770 -21.579 1.00 11.96 C ATOM 0 H TRP A 124A 11.556 -8.651 -25.601 1.00 7.85 H new ATOM 0 HA TRP A 124A 9.803 -7.309 -23.993 1.00 7.80 H new ATOM 0 HB2 TRP A 124A 10.847 -7.887 -22.087 1.00 8.56 H new ATOM 0 HB3 TRP A 124A 10.328 -9.171 -22.803 1.00 8.56 H new ATOM 0 HD1 TRP A 124A 12.117 -10.966 -23.432 1.00 9.65 H new ATOM 0 HE1 TRP A 124A 14.466 -11.254 -22.964 1.00 11.15 H new ATOM 0 HE3 TRP A 124A 13.113 -6.481 -21.788 1.00 5.27 H new ATOM 0 HZ2 TRP A 124A 16.578 -9.643 -22.125 1.00 10.26 H new ATOM 0 HZ3 TRP A 124A 15.325 -5.926 -21.252 1.00 8.66 H new ATOM 0 HH2 TRP A 124A 16.985 -7.551 -21.289 1.00 11.96 H new ATOM 813 N GLN A 125 11.048 -5.250 -23.813 1.00 7.41 N ATOM 814 CA GLN A 125 11.690 -3.953 -24.069 1.00 7.56 C ATOM 815 C GLN A 125 13.105 -3.903 -23.484 1.00 8.48 C ATOM 816 O GLN A 125 13.262 -3.983 -22.241 1.00 5.70 O ATOM 817 CB GLN A 125 10.885 -2.820 -23.438 1.00 6.15 C ATOM 818 CG GLN A 125 11.438 -1.473 -23.916 1.00 8.01 C ATOM 819 CD GLN A 125 11.454 -1.435 -25.473 1.00 5.61 C ATOM 820 OE1 GLN A 125 12.509 -1.549 -26.141 1.00 9.33 O ATOM 821 NE2 GLN A 125 10.295 -1.256 -26.031 1.00 10.80 N ATOM 0 H GLN A 125 10.338 -5.212 -23.329 1.00 7.41 H new ATOM 0 HA GLN A 125 11.730 -3.846 -25.032 1.00 7.56 H new ATOM 0 HB2 GLN A 125 9.949 -2.901 -23.681 1.00 6.15 H new ATOM 0 HB3 GLN A 125 10.933 -2.876 -22.471 1.00 6.15 H new ATOM 0 HG2 GLN A 125 10.892 -0.749 -23.572 1.00 8.01 H new ATOM 0 HG3 GLN A 125 12.335 -1.341 -23.571 1.00 8.01 H new ATOM 0 HE21 GLN A 125 9.590 -1.182 -25.544 1.00 10.80 H new ATOM 0 HE22 GLN A 125 10.232 -1.212 -26.888 1.00 10.80 H new ATOM 822 N ARG A 126 14.130 -3.815 -24.351 1.00 9.53 N ATOM 823 CA ARG A 126 15.473 -3.612 -23.834 1.00 9.79 C ATOM 824 C ARG A 126 15.950 -2.163 -23.877 1.00 10.90 C ATOM 825 O ARG A 126 16.955 -1.814 -23.232 1.00 11.75 O ATOM 826 CB ARG A 126 16.498 -4.552 -24.473 1.00 10.38 C ATOM 827 CG ARG A 126 16.640 -4.570 -25.952 1.00 11.27 C ATOM 828 CD ARG A 126 17.950 -5.355 -26.324 1.00 12.79 C ATOM 829 NE ARG A 126 17.900 -6.797 -26.028 1.00 14.38 N ATOM 830 CZ ARG A 126 18.495 -7.428 -24.998 1.00 12.40 C ATOM 831 NH1 ARG A 126 19.290 -6.787 -24.146 1.00 12.08 N ATOM 832 NH2 ARG A 126 18.316 -8.732 -24.842 1.00 8.32 N ATOM 0 H ARG A 126 14.064 -3.869 -25.207 1.00 9.53 H new ATOM 0 HA ARG A 126 15.405 -3.841 -22.894 1.00 9.79 H new ATOM 0 HB2 ARG A 126 17.366 -4.335 -24.099 1.00 10.38 H new ATOM 0 HB3 ARG A 126 16.284 -5.454 -24.189 1.00 10.38 H new ATOM 0 HG2 ARG A 126 15.868 -4.993 -26.359 1.00 11.27 H new ATOM 0 HG3 ARG A 126 16.682 -3.664 -26.297 1.00 11.27 H new ATOM 0 HD2 ARG A 126 18.128 -5.236 -27.270 1.00 12.79 H new ATOM 0 HD3 ARG A 126 18.696 -4.963 -25.844 1.00 12.79 H new ATOM 0 HE ARG A 126 17.444 -7.286 -26.569 1.00 14.38 H new ATOM 0 HH11 ARG A 126 19.436 -5.945 -24.245 1.00 12.08 H new ATOM 0 HH12 ARG A 126 19.658 -7.214 -23.496 1.00 12.08 H new ATOM 0 HH21 ARG A 126 17.823 -9.168 -25.396 1.00 8.32 H new ATOM 0 HH22 ARG A 126 18.693 -9.142 -24.187 1.00 8.32 H new ATOM 833 N VAL A 127 15.223 -1.319 -24.604 1.00 9.65 N ATOM 834 CA VAL A 127 15.562 0.083 -24.698 1.00 10.41 C ATOM 835 C VAL A 127 14.902 0.841 -23.540 1.00 10.58 C ATOM 836 O VAL A 127 13.698 0.821 -23.416 1.00 11.01 O ATOM 837 CB VAL A 127 15.098 0.673 -26.027 1.00 6.83 C ATOM 838 CG1 VAL A 127 15.040 2.234 -25.973 1.00 10.99 C ATOM 839 CG2 VAL A 127 15.969 0.104 -27.200 1.00 7.42 C ATOM 0 H VAL A 127 14.525 -1.547 -25.051 1.00 9.65 H new ATOM 0 HA VAL A 127 16.527 0.172 -24.648 1.00 10.41 H new ATOM 0 HB VAL A 127 14.185 0.396 -26.201 1.00 6.83 H new ATOM 0 HG11 VAL A 127 14.743 2.577 -26.830 1.00 10.99 H new ATOM 0 HG12 VAL A 127 14.419 2.511 -25.281 1.00 10.99 H new ATOM 0 HG13 VAL A 127 15.922 2.584 -25.774 1.00 10.99 H new ATOM 0 HG21 VAL A 127 15.668 0.484 -28.040 1.00 7.42 H new ATOM 0 HG22 VAL A 127 16.899 0.337 -27.055 1.00 7.42 H new ATOM 0 HG23 VAL A 127 15.879 -0.861 -27.231 1.00 7.42 H new ATOM 840 N ASP A 128 15.718 1.552 -22.758 1.00 11.64 N ATOM 841 CA ASP A 128 15.212 2.243 -21.586 1.00 13.07 C ATOM 842 C ASP A 128 14.643 3.628 -21.972 1.00 14.47 C ATOM 843 O ASP A 128 15.304 4.651 -21.853 1.00 15.21 O ATOM 844 CB ASP A 128 16.282 2.252 -20.505 1.00 12.90 C ATOM 845 CG ASP A 128 15.756 2.635 -19.171 1.00 15.60 C ATOM 846 OD1 ASP A 128 14.504 2.819 -19.073 1.00 12.56 O ATOM 847 OD2 ASP A 128 16.602 2.766 -18.233 1.00 12.64 O ATOM 0 H ASP A 128 16.562 1.643 -22.893 1.00 11.64 H new ATOM 0 HA ASP A 128 14.455 1.772 -21.203 1.00 13.07 H new ATOM 0 HB2 ASP A 128 16.684 1.371 -20.448 1.00 12.90 H new ATOM 0 HB3 ASP A 128 16.986 2.869 -20.759 1.00 12.90 H new ATOM 848 N ARG A 129 13.398 3.640 -22.438 1.00 15.38 N ATOM 849 CA ARG A 129 12.715 4.872 -22.829 1.00 17.70 C ATOM 850 C ARG A 129 11.247 4.652 -22.430 1.00 16.99 C ATOM 851 O ARG A 129 10.727 3.534 -22.575 1.00 17.83 O ATOM 852 CB ARG A 129 12.914 5.165 -24.326 1.00 17.52 C ATOM 853 CG ARG A 129 14.400 5.477 -24.726 1.00 19.64 C ATOM 854 CD ARG A 129 14.604 6.444 -25.931 1.00 23.83 C ATOM 855 NE ARG A 129 15.204 5.822 -27.131 1.00 32.46 N ATOM 856 CZ ARG A 129 16.481 5.416 -27.236 1.00 33.92 C ATOM 857 NH1 ARG A 129 17.326 5.524 -26.211 1.00 33.20 N ATOM 858 NH2 ARG A 129 16.918 4.886 -28.368 1.00 34.32 N ATOM 0 H ARG A 129 12.922 2.931 -22.537 1.00 15.38 H new ATOM 0 HA ARG A 129 13.070 5.659 -22.387 1.00 17.70 H new ATOM 0 HB2 ARG A 129 12.604 4.402 -24.839 1.00 17.52 H new ATOM 0 HB3 ARG A 129 12.357 5.919 -24.575 1.00 17.52 H new ATOM 0 HG2 ARG A 129 14.850 5.854 -23.954 1.00 19.64 H new ATOM 0 HG3 ARG A 129 14.842 4.638 -24.931 1.00 19.64 H new ATOM 0 HD2 ARG A 129 13.745 6.823 -26.174 1.00 23.83 H new ATOM 0 HD3 ARG A 129 15.169 7.180 -25.647 1.00 23.83 H new ATOM 0 HE ARG A 129 14.696 5.711 -27.816 1.00 32.46 H new ATOM 0 HH11 ARG A 129 17.057 5.858 -25.466 1.00 33.20 H new ATOM 0 HH12 ARG A 129 18.140 5.259 -26.295 1.00 33.20 H new ATOM 0 HH21 ARG A 129 16.385 4.801 -29.037 1.00 34.32 H new ATOM 0 HH22 ARG A 129 17.735 4.627 -28.434 1.00 34.32 H new ATOM 859 N ASP A 129A 10.610 5.655 -21.846 1.00 16.99 N ATOM 860 CA ASP A 129A 9.241 5.416 -21.316 1.00 17.15 C ATOM 861 C ASP A 129A 8.244 5.166 -22.455 1.00 16.31 C ATOM 862 O ASP A 129A 8.413 5.677 -23.565 1.00 15.83 O ATOM 863 CB ASP A 129A 8.758 6.597 -20.491 1.00 16.77 C ATOM 864 CG ASP A 129A 9.383 6.676 -19.123 1.00 17.80 C ATOM 865 OD1 ASP A 129A 9.840 5.649 -18.520 1.00 18.83 O ATOM 866 OD2 ASP A 129A 9.393 7.819 -18.639 1.00 19.82 O ATOM 0 H ASP A 129A 10.920 6.451 -21.741 1.00 16.99 H new ATOM 0 HA ASP A 129A 9.289 4.629 -20.751 1.00 17.15 H new ATOM 0 HB2 ASP A 129A 8.948 7.417 -20.973 1.00 16.77 H new ATOM 0 HB3 ASP A 129A 7.794 6.542 -20.395 1.00 16.77 H new ATOM 867 N VAL A 130 7.149 4.451 -22.185 1.00 17.26 N ATOM 868 CA VAL A 130 6.099 4.370 -23.197 1.00 16.80 C ATOM 869 C VAL A 130 5.458 5.762 -23.207 1.00 17.04 C ATOM 870 O VAL A 130 5.274 6.356 -22.136 1.00 17.65 O ATOM 871 CB VAL A 130 5.028 3.359 -22.840 1.00 17.01 C ATOM 872 CG1 VAL A 130 3.834 3.499 -23.782 1.00 13.34 C ATOM 873 CG2 VAL A 130 5.605 1.892 -22.814 1.00 15.27 C ATOM 0 H VAL A 130 6.999 4.023 -21.454 1.00 17.26 H new ATOM 0 HA VAL A 130 6.474 4.096 -24.049 1.00 16.80 H new ATOM 0 HB VAL A 130 4.715 3.544 -21.941 1.00 17.01 H new ATOM 0 HG11 VAL A 130 3.156 2.848 -23.544 1.00 13.34 H new ATOM 0 HG12 VAL A 130 3.464 4.393 -23.706 1.00 13.34 H new ATOM 0 HG13 VAL A 130 4.122 3.346 -24.695 1.00 13.34 H new ATOM 0 HG21 VAL A 130 4.898 1.270 -22.583 1.00 15.27 H new ATOM 0 HG22 VAL A 130 5.959 1.668 -23.689 1.00 15.27 H new ATOM 0 HG23 VAL A 130 6.314 1.834 -22.154 1.00 15.27 H new ATOM 874 N ALA A 131 5.114 6.252 -24.399 1.00 17.01 N ATOM 875 CA ALA A 131 4.398 7.523 -24.604 1.00 16.45 C ATOM 876 C ALA A 131 3.081 7.593 -23.820 1.00 15.96 C ATOM 877 O ALA A 131 2.202 6.689 -23.974 1.00 14.70 O ATOM 878 CB ALA A 131 4.100 7.695 -26.103 1.00 16.30 C ATOM 0 H ALA A 131 5.294 5.845 -25.135 1.00 17.01 H new ATOM 0 HA ALA A 131 4.969 8.235 -24.276 1.00 16.45 H new ATOM 0 HB1 ALA A 131 3.628 8.530 -26.246 1.00 16.30 H new ATOM 0 HB2 ALA A 131 4.933 7.706 -26.600 1.00 16.30 H new ATOM 0 HB3 ALA A 131 3.550 6.957 -26.411 1.00 16.30 H new ATOM 879 N PRO A 132 2.889 8.662 -23.003 1.00 14.95 N ATOM 880 CA PRO A 132 1.651 8.734 -22.213 1.00 13.30 C ATOM 881 C PRO A 132 0.357 8.841 -22.998 1.00 12.87 C ATOM 882 O PRO A 132 0.211 9.658 -23.938 1.00 16.03 O ATOM 883 CB PRO A 132 1.846 10.017 -21.371 1.00 13.74 C ATOM 884 CG PRO A 132 3.370 10.224 -21.381 1.00 15.28 C ATOM 885 CD PRO A 132 3.762 9.823 -22.732 1.00 16.24 C ATOM 0 HA PRO A 132 1.539 7.908 -21.717 1.00 13.30 H new ATOM 0 HB2 PRO A 132 1.380 10.774 -21.760 1.00 13.74 H new ATOM 0 HB3 PRO A 132 1.506 9.908 -20.469 1.00 13.74 H new ATOM 0 HG2 PRO A 132 3.606 11.147 -21.200 1.00 15.28 H new ATOM 0 HG3 PRO A 132 3.808 9.682 -20.706 1.00 15.28 H new ATOM 0 HD2 PRO A 132 3.620 10.536 -23.374 1.00 16.24 H new ATOM 0 HD3 PRO A 132 4.701 9.584 -22.777 1.00 16.24 H new ATOM 886 N GLY A 133 -0.637 8.130 -22.557 1.00 11.09 N ATOM 887 CA GLY A 133 -1.860 8.012 -23.330 1.00 10.83 C ATOM 888 C GLY A 133 -1.917 6.776 -24.214 1.00 8.37 C ATOM 889 O GLY A 133 -3.012 6.406 -24.630 1.00 8.67 O ATOM 0 H GLY A 133 -0.637 7.701 -21.811 1.00 11.09 H new ATOM 0 HA2 GLY A 133 -2.616 7.998 -22.722 1.00 10.83 H new ATOM 0 HA3 GLY A 133 -1.957 8.801 -23.886 1.00 10.83 H new ATOM 890 N THR A 134 -0.771 6.142 -24.482 1.00 7.82 N ATOM 891 CA THR A 134 -0.729 4.854 -25.258 1.00 6.35 C ATOM 892 C THR A 134 -1.540 3.838 -24.483 1.00 7.54 C ATOM 893 O THR A 134 -1.284 3.671 -23.250 1.00 7.21 O ATOM 894 CB THR A 134 0.713 4.367 -25.465 1.00 6.51 C ATOM 895 OG1 THR A 134 1.548 5.430 -25.976 1.00 11.86 O ATOM 896 CG2 THR A 134 0.781 3.184 -26.406 1.00 6.00 C ATOM 0 H THR A 134 0.001 6.427 -24.231 1.00 7.82 H new ATOM 0 HA THR A 134 -1.101 4.985 -26.144 1.00 6.35 H new ATOM 0 HB THR A 134 1.040 4.087 -24.596 1.00 6.51 H new ATOM 0 HG1 THR A 134 1.994 5.763 -25.347 1.00 11.86 H new ATOM 0 HG21 THR A 134 1.704 2.906 -26.511 1.00 6.00 H new ATOM 0 HG22 THR A 134 0.263 2.450 -26.041 1.00 6.00 H new ATOM 0 HG23 THR A 134 0.419 3.436 -27.270 1.00 6.00 H new ATOM 897 N LEU A 135 -2.529 3.175 -25.158 1.00 7.52 N ATOM 898 CA LEU A 135 -3.222 1.969 -24.587 1.00 5.99 C ATOM 899 C LEU A 135 -2.347 0.669 -24.698 1.00 8.25 C ATOM 900 O LEU A 135 -1.997 0.189 -25.811 1.00 6.66 O ATOM 901 CB LEU A 135 -4.575 1.679 -25.296 1.00 6.86 C ATOM 902 CG LEU A 135 -5.696 2.735 -25.239 1.00 8.11 C ATOM 903 CD1 LEU A 135 -7.039 2.191 -25.668 1.00 10.93 C ATOM 904 CD2 LEU A 135 -5.784 3.192 -23.842 1.00 8.64 C ATOM 0 H LEU A 135 -2.810 3.405 -25.938 1.00 7.52 H new ATOM 0 HA LEU A 135 -3.374 2.187 -23.654 1.00 5.99 H new ATOM 0 HB2 LEU A 135 -4.383 1.507 -26.231 1.00 6.86 H new ATOM 0 HB3 LEU A 135 -4.929 0.857 -24.923 1.00 6.86 H new ATOM 0 HG LEU A 135 -5.480 3.454 -25.853 1.00 8.11 H new ATOM 0 HD11 LEU A 135 -7.705 2.894 -25.613 1.00 10.93 H new ATOM 0 HD12 LEU A 135 -6.982 1.871 -26.582 1.00 10.93 H new ATOM 0 HD13 LEU A 135 -7.293 1.459 -25.085 1.00 10.93 H new ATOM 0 HD21 LEU A 135 -6.482 3.861 -23.764 1.00 8.64 H new ATOM 0 HD22 LEU A 135 -5.993 2.439 -23.267 1.00 8.64 H new ATOM 0 HD23 LEU A 135 -4.935 3.578 -23.573 1.00 8.64 H new ATOM 905 N CYS A 136 -2.088 0.070 -23.542 1.00 9.36 N ATOM 906 CA CYS A 136 -1.396 -1.193 -23.406 1.00 10.35 C ATOM 907 C CYS A 136 -2.322 -2.311 -22.836 1.00 10.44 C ATOM 908 O CYS A 136 -3.360 -2.069 -22.165 1.00 11.10 O ATOM 909 CB CYS A 136 -0.162 -0.985 -22.524 1.00 11.51 C ATOM 910 SG CYS A 136 1.030 0.216 -23.282 1.00 11.19 S ATOM 0 H CYS A 136 -2.323 0.407 -22.786 1.00 9.36 H new ATOM 0 HA CYS A 136 -1.120 -1.496 -24.285 1.00 10.35 H new ATOM 0 HB2 CYS A 136 -0.438 -0.661 -21.653 1.00 11.51 H new ATOM 0 HB3 CYS A 136 0.282 -1.836 -22.382 1.00 11.51 H new ATOM 911 N ASP A 137 -1.941 -3.528 -23.119 1.00 7.84 N ATOM 912 CA ASP A 137 -2.795 -4.661 -22.876 1.00 8.28 C ATOM 913 C ASP A 137 -2.250 -5.382 -21.661 1.00 7.63 C ATOM 914 O ASP A 137 -1.059 -5.774 -21.617 1.00 7.26 O ATOM 915 CB ASP A 137 -2.760 -5.560 -24.118 1.00 8.62 C ATOM 916 CG ASP A 137 -3.802 -6.691 -24.077 1.00 14.54 C ATOM 917 OD1 ASP A 137 -4.977 -6.445 -23.777 1.00 13.20 O ATOM 918 OD2 ASP A 137 -3.425 -7.844 -24.375 1.00 24.59 O ATOM 0 H ASP A 137 -1.176 -3.725 -23.459 1.00 7.84 H new ATOM 0 HA ASP A 137 -3.715 -4.402 -22.710 1.00 8.28 H new ATOM 0 HB2 ASP A 137 -2.911 -5.017 -24.907 1.00 8.62 H new ATOM 0 HB3 ASP A 137 -1.875 -5.947 -24.205 1.00 8.62 H new ATOM 919 N AVAL A 138 -3.090 -5.559 -20.660 0.50 6.93 N ATOM 920 N BVAL A 138 -3.106 -5.548 -20.665 0.50 6.45 N ATOM 921 CA AVAL A 138 -2.684 -6.402 -19.525 0.50 6.27 C ATOM 922 CA BVAL A 138 -2.749 -6.352 -19.481 0.50 5.50 C ATOM 923 C AVAL A 138 -3.687 -7.528 -19.379 0.50 6.04 C ATOM 924 C BVAL A 138 -3.696 -7.545 -19.444 0.50 5.53 C ATOM 925 O AVAL A 138 -4.898 -7.286 -19.431 0.50 5.15 O ATOM 926 O BVAL A 138 -4.896 -7.369 -19.632 0.50 4.66 O ATOM 927 CB AVAL A 138 -2.542 -5.602 -18.178 0.50 6.60 C ATOM 928 CB BVAL A 138 -2.921 -5.548 -18.144 0.50 5.09 C ATOM 929 CG1AVAL A 138 -3.725 -4.722 -17.920 0.50 7.46 C ATOM 930 CG1BVAL A 138 -2.572 -6.439 -16.929 0.50 6.36 C ATOM 931 CG2AVAL A 138 -2.321 -6.572 -16.986 0.50 7.05 C ATOM 932 CG2BVAL A 138 -2.066 -4.277 -18.129 0.50 4.22 C ATOM 0 H AVAL A 138 -3.877 -5.217 -20.606 0.50 6.45 H new ATOM 0 H BVAL A 138 -3.897 -5.210 -20.645 0.50 6.45 H new ATOM 0 HA AVAL A 138 -1.800 -6.755 -19.714 0.50 5.50 H new ATOM 0 HA BVAL A 138 -1.818 -6.614 -19.551 0.50 5.50 H new ATOM 0 HB AVAL A 138 -1.765 -5.028 -18.266 0.50 5.09 H new ATOM 0 HB BVAL A 138 -3.851 -5.279 -18.085 0.50 5.09 H new ATOM 0 HG11AVAL A 138 -3.599 -4.248 -17.083 0.50 6.36 H new ATOM 0 HG11BVAL A 138 -2.683 -5.929 -16.111 0.50 6.36 H new ATOM 0 HG12AVAL A 138 -3.817 -4.082 -18.643 0.50 6.36 H new ATOM 0 HG12BVAL A 138 -3.162 -7.209 -16.912 0.50 6.36 H new ATOM 0 HG13AVAL A 138 -4.527 -5.265 -17.866 0.50 6.36 H new ATOM 0 HG13BVAL A 138 -1.652 -6.738 -17.001 0.50 6.36 H new ATOM 0 HG21AVAL A 138 -2.236 -6.062 -16.165 0.50 4.22 H new ATOM 0 HG21BVAL A 138 -2.198 -3.808 -17.290 0.50 4.22 H new ATOM 0 HG22AVAL A 138 -3.078 -7.175 -16.915 0.50 4.22 H new ATOM 0 HG22BVAL A 138 -1.130 -4.515 -18.222 0.50 4.22 H new ATOM 0 HG23AVAL A 138 -1.511 -7.086 -17.132 0.50 4.22 H new ATOM 0 HG23BVAL A 138 -2.328 -3.702 -18.865 0.50 4.22 H new ATOM 933 N ALA A 139 -3.171 -8.743 -19.174 1.00 5.20 N ATOM 934 CA ALA A 139 -3.984 -9.927 -19.118 1.00 4.29 C ATOM 935 C ALA A 139 -3.690 -10.728 -17.857 1.00 4.78 C ATOM 936 O ALA A 139 -2.567 -10.695 -17.344 1.00 5.39 O ATOM 937 CB ALA A 139 -3.790 -10.771 -20.296 1.00 4.15 C ATOM 0 H AALA A 139 -2.331 -8.890 -19.064 0.50 5.20 H new ATOM 0 H BALA A 139 -2.336 -8.878 -19.021 0.50 5.20 H new ATOM 0 HA ALA A 139 -4.909 -9.637 -19.101 1.00 4.29 H new ATOM 0 HB1 ALA A 139 -4.352 -11.559 -20.226 1.00 4.15 H new ATOM 0 HB2 ALA A 139 -4.029 -10.274 -21.094 1.00 4.15 H new ATOM 0 HB3 ALA A 139 -2.860 -11.041 -20.351 1.00 4.15 H new ATOM 938 N GLY A 140 -4.698 -11.447 -17.393 1.00 2.88 N ATOM 939 CA GLY A 140 -4.531 -12.261 -16.176 1.00 2.00 C ATOM 940 C GLY A 140 -5.784 -13.065 -15.815 1.00 2.56 C ATOM 941 O GLY A 140 -6.933 -12.890 -16.399 1.00 3.28 O ATOM 0 H GLY A 140 -5.478 -11.485 -17.753 1.00 2.88 H new ATOM 0 HA2 GLY A 140 -3.787 -12.871 -16.301 1.00 2.00 H new ATOM 0 HA3 GLY A 140 -4.301 -11.680 -15.434 1.00 2.00 H new ATOM 942 N TRP A 141 -5.535 -14.008 -14.916 1.00 2.84 N ATOM 943 CA TRP A 141 -6.598 -14.811 -14.313 1.00 5.75 C ATOM 944 C TRP A 141 -6.876 -14.300 -12.898 1.00 5.59 C ATOM 945 O TRP A 141 -7.369 -15.031 -12.029 1.00 6.06 O ATOM 946 CB TRP A 141 -6.231 -16.285 -14.243 1.00 5.53 C ATOM 947 CG TRP A 141 -6.211 -17.046 -15.521 1.00 2.98 C ATOM 948 CD1 TRP A 141 -7.261 -17.731 -16.104 1.00 2.78 C ATOM 949 CD2 TRP A 141 -5.080 -17.281 -16.315 1.00 2.00 C ATOM 950 NE1 TRP A 141 -6.834 -18.290 -17.295 1.00 2.00 N ATOM 951 CE2 TRP A 141 -5.492 -18.125 -17.391 1.00 4.50 C ATOM 952 CE3 TRP A 141 -3.736 -16.904 -16.223 1.00 7.52 C ATOM 953 CZ2 TRP A 141 -4.614 -18.526 -18.392 1.00 5.90 C ATOM 954 CZ3 TRP A 141 -2.841 -17.332 -17.210 1.00 5.48 C ATOM 955 CH2 TRP A 141 -3.293 -18.140 -18.272 1.00 3.80 C ATOM 0 H TRP A 141 -4.745 -14.203 -14.636 1.00 2.84 H new ATOM 0 HA TRP A 141 -7.386 -14.725 -14.872 1.00 5.75 H new ATOM 0 HB2 TRP A 141 -5.353 -16.356 -13.838 1.00 5.53 H new ATOM 0 HB3 TRP A 141 -6.856 -16.722 -13.644 1.00 5.53 H new ATOM 0 HD1 TRP A 141 -8.118 -17.804 -15.751 1.00 2.78 H new ATOM 0 HE1 TRP A 141 -7.335 -18.677 -17.877 1.00 2.00 H new ATOM 0 HE3 TRP A 141 -3.441 -16.376 -15.516 1.00 7.52 H new ATOM 0 HZ2 TRP A 141 -4.905 -19.034 -19.114 1.00 5.90 H new ATOM 0 HZ3 TRP A 141 -1.946 -17.083 -17.165 1.00 5.48 H new ATOM 0 HH2 TRP A 141 -2.682 -18.423 -18.913 1.00 3.80 H new ATOM 956 N GLY A 142 -6.458 -13.068 -12.673 1.00 7.17 N ATOM 957 CA GLY A 142 -6.749 -12.263 -11.451 1.00 5.90 C ATOM 958 C GLY A 142 -8.237 -12.057 -11.140 1.00 4.20 C ATOM 959 O GLY A 142 -9.192 -12.386 -11.944 1.00 2.22 O ATOM 0 H GLY A 142 -5.974 -12.641 -13.241 1.00 7.17 H new ATOM 0 HA2 GLY A 142 -6.332 -12.696 -10.690 1.00 5.90 H new ATOM 0 HA3 GLY A 142 -6.331 -11.393 -11.547 1.00 5.90 H new ATOM 960 N ILE A 143 -8.494 -11.573 -9.920 1.00 5.74 N ATOM 961 CA ILE A 143 -9.917 -11.456 -9.523 1.00 5.96 C ATOM 962 C ILE A 143 -10.617 -10.480 -10.535 1.00 5.82 C ATOM 963 O ILE A 143 -9.978 -9.536 -10.991 1.00 3.73 O ATOM 964 CB ILE A 143 -10.067 -10.999 -8.024 1.00 5.84 C ATOM 965 CG1 ILE A 143 -9.426 -9.618 -7.782 1.00 7.21 C ATOM 966 CG2 ILE A 143 -9.547 -12.090 -6.998 1.00 6.37 C ATOM 967 CD1 ILE A 143 -9.888 -8.942 -6.520 1.00 7.36 C ATOM 0 H ILE A 143 -7.911 -11.321 -9.340 1.00 5.74 H new ATOM 0 HA ILE A 143 -10.353 -12.322 -9.565 1.00 5.96 H new ATOM 0 HB ILE A 143 -11.018 -10.905 -7.856 1.00 5.84 H new ATOM 0 HG12 ILE A 143 -8.462 -9.720 -7.749 1.00 7.21 H new ATOM 0 HG13 ILE A 143 -9.624 -9.043 -8.537 1.00 7.21 H new ATOM 0 HG21 ILE A 143 -9.660 -11.763 -6.092 1.00 6.37 H new ATOM 0 HG22 ILE A 143 -10.054 -12.909 -7.111 1.00 6.37 H new ATOM 0 HG23 ILE A 143 -8.608 -12.267 -7.162 1.00 6.37 H new ATOM 0 HD11 ILE A 143 -9.446 -8.083 -6.433 1.00 7.36 H new ATOM 0 HD12 ILE A 143 -10.848 -8.809 -6.557 1.00 7.36 H new ATOM 0 HD13 ILE A 143 -9.668 -9.497 -5.756 1.00 7.36 H new ATOM 968 N VAL A 144 -11.906 -10.720 -10.841 1.00 7.20 N ATOM 969 CA VAL A 144 -12.693 -9.823 -11.768 1.00 6.54 C ATOM 970 C VAL A 144 -13.782 -8.932 -11.117 1.00 8.04 C ATOM 971 O VAL A 144 -14.535 -8.152 -11.819 1.00 7.30 O ATOM 972 CB VAL A 144 -13.380 -10.694 -12.857 1.00 6.08 C ATOM 973 CG1 VAL A 144 -12.343 -11.387 -13.687 1.00 7.07 C ATOM 974 CG2 VAL A 144 -14.394 -11.660 -12.196 1.00 7.59 C ATOM 0 H VAL A 144 -12.353 -11.387 -10.533 1.00 7.20 H new ATOM 0 HA VAL A 144 -12.031 -9.208 -12.121 1.00 6.54 H new ATOM 0 HB VAL A 144 -13.889 -10.136 -13.466 1.00 6.08 H new ATOM 0 HG11 VAL A 144 -12.779 -11.928 -14.364 1.00 7.07 H new ATOM 0 HG12 VAL A 144 -11.777 -10.726 -14.117 1.00 7.07 H new ATOM 0 HG13 VAL A 144 -11.800 -11.956 -13.119 1.00 7.07 H new ATOM 0 HG21 VAL A 144 -14.819 -12.201 -12.880 1.00 7.59 H new ATOM 0 HG22 VAL A 144 -13.930 -12.238 -11.570 1.00 7.59 H new ATOM 0 HG23 VAL A 144 -15.069 -11.148 -11.724 1.00 7.59 H new ATOM 975 N ASN A 145 -13.874 -9.004 -9.793 1.00 8.92 N ATOM 976 CA ASN A 145 -14.607 -7.966 -9.042 1.00 8.44 C ATOM 977 C ASN A 145 -14.081 -7.811 -7.604 1.00 9.33 C ATOM 978 O ASN A 145 -13.236 -8.570 -7.188 1.00 9.92 O ATOM 979 CB ASN A 145 -16.127 -8.214 -9.059 1.00 9.57 C ATOM 980 CG ASN A 145 -16.513 -9.589 -8.499 1.00 11.64 C ATOM 981 OD1 ASN A 145 -15.991 -10.050 -7.472 1.00 11.33 O ATOM 982 ND2 ASN A 145 -17.422 -10.263 -9.195 1.00 13.08 N ATOM 0 H ASN A 145 -13.530 -9.628 -9.312 1.00 8.92 H new ATOM 0 HA ASN A 145 -14.444 -7.126 -9.498 1.00 8.44 H new ATOM 0 HB2 ASN A 145 -16.569 -7.523 -8.541 1.00 9.57 H new ATOM 0 HB3 ASN A 145 -16.453 -8.138 -9.970 1.00 9.57 H new ATOM 0 HD21 ASN A 145 -17.667 -11.046 -8.938 1.00 13.08 H new ATOM 0 HD22 ASN A 145 -17.766 -9.916 -9.903 1.00 13.08 H new ATOM 983 N HIS A 146 -14.663 -6.891 -6.823 1.00 10.18 N ATOM 984 CA HIS A 146 -14.230 -6.677 -5.448 1.00 12.11 C ATOM 985 C HIS A 146 -14.670 -7.717 -4.408 1.00 13.41 C ATOM 986 O HIS A 146 -14.250 -7.676 -3.254 1.00 14.73 O ATOM 987 CB HIS A 146 -14.602 -5.286 -4.993 1.00 12.29 C ATOM 988 CG HIS A 146 -13.805 -4.200 -5.660 1.00 11.71 C ATOM 989 ND1 HIS A 146 -14.295 -3.457 -6.705 1.00 13.16 N ATOM 990 CD2 HIS A 146 -12.559 -3.721 -5.410 1.00 15.87 C ATOM 991 CE1 HIS A 146 -13.391 -2.565 -7.081 1.00 12.72 C ATOM 992 NE2 HIS A 146 -12.318 -2.718 -6.320 1.00 14.32 N ATOM 0 H HIS A 146 -15.310 -6.384 -7.076 1.00 10.18 H new ATOM 0 HA HIS A 146 -13.267 -6.789 -5.489 1.00 12.11 H new ATOM 0 HB2 HIS A 146 -15.545 -5.138 -5.168 1.00 12.29 H new ATOM 0 HB3 HIS A 146 -14.478 -5.224 -4.033 1.00 12.29 H new ATOM 0 HD2 HIS A 146 -11.977 -4.016 -4.747 1.00 15.87 H new ATOM 0 HE1 HIS A 146 -13.492 -1.939 -7.762 1.00 12.72 H new ATOM 0 HE2 HIS A 146 -11.590 -2.265 -6.384 1.00 14.32 H new ATOM 993 N ALA A 147 -15.459 -8.682 -4.852 1.00 14.73 N ATOM 994 CA ALA A 147 -15.917 -9.794 -4.023 1.00 14.37 C ATOM 995 C ALA A 147 -14.942 -10.940 -4.196 1.00 13.70 C ATOM 996 O ALA A 147 -15.077 -11.989 -3.560 1.00 15.70 O ATOM 997 CB ALA A 147 -17.330 -10.254 -4.499 1.00 13.45 C ATOM 0 H ALA A 147 -15.752 -8.713 -5.660 1.00 14.73 H new ATOM 0 HA ALA A 147 -15.966 -9.521 -3.094 1.00 14.37 H new ATOM 0 HB1 ALA A 147 -17.633 -10.992 -3.948 1.00 13.45 H new ATOM 0 HB2 ALA A 147 -17.954 -9.516 -4.421 1.00 13.45 H new ATOM 0 HB3 ALA A 147 -17.283 -10.540 -5.425 1.00 13.45 H new ATOM 998 N GLY A 149 -13.974 -10.821 -5.157 1.00 11.60 N ATOM 999 CA GLY A 149 -12.922 -11.820 -5.304 1.00 11.57 C ATOM 1000 C GLY A 149 -13.318 -12.905 -6.276 1.00 11.73 C ATOM 1001 O GLY A 149 -12.728 -13.996 -6.217 1.00 12.30 O ATOM 0 H GLY A 149 -13.928 -10.169 -5.716 1.00 11.60 H new ATOM 0 HA2 GLY A 149 -12.108 -11.391 -5.611 1.00 11.57 H new ATOM 0 HA3 GLY A 149 -12.726 -12.214 -4.440 1.00 11.57 H new ATOM 1002 N ARG A 150 -14.304 -12.647 -7.155 1.00 9.82 N ATOM 1003 CA ARG A 150 -14.677 -13.736 -8.091 1.00 11.61 C ATOM 1004 C ARG A 150 -13.436 -14.152 -8.923 1.00 11.85 C ATOM 1005 O ARG A 150 -12.742 -13.302 -9.444 1.00 10.81 O ATOM 1006 CB ARG A 150 -15.846 -13.377 -8.988 1.00 12.34 C ATOM 1007 CG ARG A 150 -16.169 -14.498 -9.913 1.00 15.68 C ATOM 1008 CD ARG A 150 -17.097 -14.050 -10.967 1.00 20.85 C ATOM 1009 NE ARG A 150 -17.932 -15.167 -11.361 1.00 29.42 N ATOM 1010 CZ ARG A 150 -19.077 -15.048 -12.028 1.00 30.30 C ATOM 1011 NH1 ARG A 150 -19.485 -13.842 -12.415 1.00 30.52 N ATOM 1012 NH2 ARG A 150 -19.794 -16.140 -12.326 1.00 30.11 N ATOM 0 H ARG A 150 -14.741 -11.910 -7.228 1.00 9.82 H new ATOM 0 HA ARG A 150 -14.978 -14.489 -7.558 1.00 11.61 H new ATOM 0 HB2 ARG A 150 -16.622 -13.166 -8.446 1.00 12.34 H new ATOM 0 HB3 ARG A 150 -15.633 -12.581 -9.500 1.00 12.34 H new ATOM 0 HG2 ARG A 150 -15.354 -14.837 -10.315 1.00 15.68 H new ATOM 0 HG3 ARG A 150 -16.566 -15.230 -9.416 1.00 15.68 H new ATOM 0 HD2 ARG A 150 -17.646 -13.319 -10.643 1.00 20.85 H new ATOM 0 HD3 ARG A 150 -16.601 -13.716 -11.731 1.00 20.85 H new ATOM 0 HE ARG A 150 -17.670 -15.959 -11.150 1.00 29.42 H new ATOM 0 HH11 ARG A 150 -19.010 -13.149 -12.234 1.00 30.52 H new ATOM 0 HH12 ARG A 150 -20.224 -13.756 -12.847 1.00 30.52 H new ATOM 0 HH21 ARG A 150 -19.514 -16.917 -12.086 1.00 30.11 H new ATOM 0 HH22 ARG A 150 -20.534 -16.064 -12.757 1.00 30.11 H new ATOM 1013 N ARG A 151 -13.147 -15.442 -8.997 1.00 12.25 N ATOM 1014 CA ARG A 151 -11.970 -15.893 -9.760 1.00 12.61 C ATOM 1015 C ARG A 151 -12.381 -16.387 -11.108 1.00 10.93 C ATOM 1016 O ARG A 151 -13.217 -17.322 -11.210 1.00 12.73 O ATOM 1017 CB ARG A 151 -11.164 -16.943 -8.982 1.00 13.10 C ATOM 1018 CG ARG A 151 -11.016 -16.633 -7.490 1.00 13.50 C ATOM 1019 CD ARG A 151 -10.002 -17.541 -6.811 1.00 18.23 C ATOM 1020 NE ARG A 151 -10.613 -18.720 -6.191 1.00 27.41 N ATOM 1021 CZ ARG A 151 -10.780 -19.888 -6.797 1.00 32.50 C ATOM 1022 NH1 ARG A 151 -10.379 -20.059 -8.065 1.00 36.23 N ATOM 1023 NH2 ARG A 151 -11.341 -20.900 -6.140 1.00 34.89 N ATOM 0 H ARG A 151 -13.603 -16.069 -8.624 1.00 12.25 H new ATOM 0 HA ARG A 151 -11.381 -15.133 -9.891 1.00 12.61 H new ATOM 0 HB2 ARG A 151 -11.593 -17.807 -9.083 1.00 13.10 H new ATOM 0 HB3 ARG A 151 -10.281 -17.018 -9.377 1.00 13.10 H new ATOM 0 HG2 ARG A 151 -10.745 -15.708 -7.379 1.00 13.50 H new ATOM 0 HG3 ARG A 151 -11.877 -16.730 -7.054 1.00 13.50 H new ATOM 0 HD2 ARG A 151 -9.345 -17.829 -7.464 1.00 18.23 H new ATOM 0 HD3 ARG A 151 -9.526 -17.036 -6.134 1.00 18.23 H new ATOM 0 HE ARG A 151 -10.882 -18.650 -5.377 1.00 27.41 H new ATOM 0 HH11 ARG A 151 -10.011 -19.409 -8.491 1.00 36.23 H new ATOM 0 HH12 ARG A 151 -10.490 -20.819 -8.452 1.00 36.23 H new ATOM 0 HH21 ARG A 151 -11.594 -20.796 -5.325 1.00 34.89 H new ATOM 0 HH22 ARG A 151 -11.450 -21.658 -6.531 1.00 34.89 H new ATOM 1024 N PRO A 152 -11.786 -15.842 -12.194 1.00 10.31 N ATOM 1025 CA PRO A 152 -12.247 -16.381 -13.508 1.00 8.54 C ATOM 1026 C PRO A 152 -11.607 -17.711 -13.886 1.00 8.90 C ATOM 1027 O PRO A 152 -10.412 -17.936 -13.663 1.00 9.87 O ATOM 1028 CB PRO A 152 -11.782 -15.340 -14.529 1.00 7.01 C ATOM 1029 CG PRO A 152 -10.540 -14.668 -13.844 1.00 8.90 C ATOM 1030 CD PRO A 152 -10.693 -14.868 -12.324 1.00 10.75 C ATOM 0 HA PRO A 152 -13.204 -16.537 -13.475 1.00 8.54 H new ATOM 0 HB2 PRO A 152 -11.542 -15.753 -15.373 1.00 7.01 H new ATOM 0 HB3 PRO A 152 -12.478 -14.691 -14.718 1.00 7.01 H new ATOM 0 HG2 PRO A 152 -9.716 -15.069 -14.161 1.00 8.90 H new ATOM 0 HG3 PRO A 152 -10.498 -13.724 -14.062 1.00 8.90 H new ATOM 0 HD2 PRO A 152 -9.873 -15.201 -11.926 1.00 10.75 H new ATOM 0 HD3 PRO A 152 -10.907 -14.034 -11.877 1.00 10.75 H new ATOM 1031 N ASP A 153 -12.384 -18.576 -14.532 1.00 8.03 N ATOM 1032 CA ASP A 153 -11.793 -19.843 -15.060 1.00 7.58 C ATOM 1033 C ASP A 153 -10.969 -19.522 -16.277 1.00 7.76 C ATOM 1034 O ASP A 153 -9.893 -20.117 -16.476 1.00 6.25 O ATOM 1035 CB ASP A 153 -12.876 -20.848 -15.399 1.00 8.76 C ATOM 1036 CG ASP A 153 -12.307 -22.203 -15.884 1.00 7.58 C ATOM 1037 OD1 ASP A 153 -11.599 -22.844 -15.107 1.00 6.88 O ATOM 1038 OD2 ASP A 153 -12.595 -22.577 -17.060 1.00 10.12 O ATOM 0 H ASP A 153 -13.225 -18.471 -14.680 1.00 8.03 H new ATOM 0 HA ASP A 153 -11.229 -20.242 -14.379 1.00 7.58 H new ATOM 0 HB2 ASP A 153 -13.430 -20.996 -14.617 1.00 8.76 H new ATOM 0 HB3 ASP A 153 -13.450 -20.478 -16.088 1.00 8.76 H new ATOM 1039 N SER A 154 -11.383 -18.480 -17.034 1.00 7.56 N ATOM 1040 CA SER A 154 -10.651 -18.210 -18.309 1.00 9.74 C ATOM 1041 C SER A 154 -9.911 -16.883 -18.360 1.00 7.83 C ATOM 1042 O SER A 154 -10.282 -15.911 -17.653 1.00 8.34 O ATOM 1043 CB SER A 154 -11.584 -18.339 -19.535 1.00 10.39 C ATOM 1044 OG SER A 154 -12.251 -17.102 -19.800 1.00 17.33 O ATOM 0 H SER A 154 -12.035 -17.951 -16.850 1.00 7.56 H new ATOM 0 HA SER A 154 -9.967 -18.897 -18.339 1.00 9.74 H new ATOM 0 HB2 SER A 154 -11.068 -18.606 -20.312 1.00 10.39 H new ATOM 0 HB3 SER A 154 -12.239 -19.037 -19.376 1.00 10.39 H new ATOM 0 HG SER A 154 -12.737 -16.899 -19.145 1.00 17.33 H new ATOM 1045 N LEU A 155 -8.939 -16.795 -19.275 1.00 6.34 N ATOM 1046 CA LEU A 155 -7.982 -15.698 -19.231 1.00 7.00 C ATOM 1047 C LEU A 155 -8.793 -14.468 -19.575 1.00 7.67 C ATOM 1048 O LEU A 155 -9.660 -14.538 -20.486 1.00 8.49 O ATOM 1049 CB LEU A 155 -6.849 -15.906 -20.262 1.00 6.63 C ATOM 1050 CG LEU A 155 -5.875 -14.729 -20.346 1.00 5.61 C ATOM 1051 CD1 LEU A 155 -5.081 -14.656 -19.054 1.00 10.50 C ATOM 1052 CD2 LEU A 155 -4.910 -15.027 -21.501 1.00 10.16 C ATOM 0 H LEU A 155 -8.822 -17.354 -19.918 1.00 6.34 H new ATOM 0 HA LEU A 155 -7.551 -15.628 -18.365 1.00 7.00 H new ATOM 0 HB2 LEU A 155 -6.356 -16.709 -20.032 1.00 6.63 H new ATOM 0 HB3 LEU A 155 -7.241 -16.055 -21.137 1.00 6.63 H new ATOM 0 HG LEU A 155 -6.346 -13.893 -20.486 1.00 5.61 H new ATOM 0 HD11 LEU A 155 -4.460 -13.912 -19.097 1.00 10.50 H new ATOM 0 HD12 LEU A 155 -5.688 -14.527 -18.308 1.00 10.50 H new ATOM 0 HD13 LEU A 155 -4.588 -15.482 -18.930 1.00 10.50 H new ATOM 0 HD21 LEU A 155 -4.273 -14.300 -21.587 1.00 10.16 H new ATOM 0 HD22 LEU A 155 -4.434 -15.853 -21.321 1.00 10.16 H new ATOM 0 HD23 LEU A 155 -5.411 -15.117 -22.327 1.00 10.16 H new ATOM 1053 N GLN A 156 -8.555 -13.398 -18.824 1.00 5.50 N ATOM 1054 CA GLN A 156 -9.217 -12.073 -19.050 1.00 5.50 C ATOM 1055 C GLN A 156 -8.172 -11.068 -19.550 1.00 4.43 C ATOM 1056 O GLN A 156 -6.953 -11.259 -19.332 1.00 2.87 O ATOM 1057 CB GLN A 156 -9.861 -11.486 -17.769 1.00 4.32 C ATOM 1058 CG GLN A 156 -10.867 -12.452 -17.086 1.00 8.29 C ATOM 1059 CD GLN A 156 -12.092 -12.717 -17.933 1.00 10.31 C ATOM 1060 OE1 GLN A 156 -12.869 -11.811 -18.223 1.00 17.05 O ATOM 1061 NE2 GLN A 156 -12.243 -13.930 -18.364 1.00 6.96 N ATOM 0 H GLN A 156 -8.006 -13.401 -18.162 1.00 5.50 H new ATOM 0 HA GLN A 156 -9.922 -12.222 -19.699 1.00 5.50 H new ATOM 0 HB2 GLN A 156 -9.160 -11.260 -17.137 1.00 4.32 H new ATOM 0 HB3 GLN A 156 -10.318 -10.660 -17.994 1.00 4.32 H new ATOM 0 HG2 GLN A 156 -10.423 -13.293 -16.895 1.00 8.29 H new ATOM 0 HG3 GLN A 156 -11.142 -12.077 -16.235 1.00 8.29 H new ATOM 0 HE21 GLN A 156 -11.679 -14.539 -18.140 1.00 6.96 H new ATOM 0 HE22 GLN A 156 -12.907 -14.126 -18.874 1.00 6.96 H new ATOM 1062 N HIS A 157 -8.634 -9.968 -20.159 1.00 5.53 N ATOM 1063 CA HIS A 157 -7.660 -8.877 -20.369 1.00 6.04 C ATOM 1064 C HIS A 157 -8.331 -7.534 -20.399 1.00 6.63 C ATOM 1065 O HIS A 157 -9.588 -7.453 -20.468 1.00 6.15 O ATOM 1066 CB HIS A 157 -6.901 -9.109 -21.657 1.00 6.33 C ATOM 1067 CG HIS A 157 -7.719 -8.794 -22.878 1.00 7.26 C ATOM 1068 ND1 HIS A 157 -7.412 -7.731 -23.708 1.00 12.26 N ATOM 1069 CD2 HIS A 157 -8.787 -9.420 -23.429 1.00 7.90 C ATOM 1070 CE1 HIS A 157 -8.293 -7.700 -24.701 1.00 14.64 C ATOM 1071 NE2 HIS A 157 -9.170 -8.678 -24.524 1.00 6.05 N ATOM 0 H HIS A 157 -9.436 -9.834 -20.439 1.00 5.53 H new ATOM 0 HA HIS A 157 -7.041 -8.880 -19.622 1.00 6.04 H new ATOM 0 HB2 HIS A 157 -6.100 -8.562 -21.659 1.00 6.33 H new ATOM 0 HB3 HIS A 157 -6.612 -10.034 -21.696 1.00 6.33 H new ATOM 0 HD1 HIS A 157 -6.759 -7.182 -23.599 1.00 12.26 H new ATOM 0 HD2 HIS A 157 -9.186 -10.203 -23.125 1.00 7.90 H new ATOM 0 HE1 HIS A 157 -8.294 -7.092 -25.405 1.00 14.64 H new ATOM 1072 N VAL A 158 -7.509 -6.473 -20.425 1.00 4.85 N ATOM 1073 CA VAL A 158 -8.073 -5.106 -20.624 1.00 6.01 C ATOM 1074 C VAL A 158 -6.982 -4.208 -21.184 1.00 6.34 C ATOM 1075 O VAL A 158 -5.776 -4.413 -20.920 1.00 5.33 O ATOM 1076 CB VAL A 158 -8.553 -4.516 -19.217 1.00 5.53 C ATOM 1077 CG1 VAL A 158 -7.317 -4.369 -18.342 1.00 4.89 C ATOM 1078 CG2 VAL A 158 -9.397 -3.240 -19.380 1.00 7.29 C ATOM 0 H VAL A 158 -6.655 -6.509 -20.334 1.00 4.85 H new ATOM 0 HA VAL A 158 -8.826 -5.147 -21.234 1.00 6.01 H new ATOM 0 HB VAL A 158 -9.166 -5.121 -18.771 1.00 5.53 H new ATOM 0 HG11 VAL A 158 -7.573 -4.012 -17.477 1.00 4.89 H new ATOM 0 HG12 VAL A 158 -6.900 -5.237 -18.222 1.00 4.89 H new ATOM 0 HG13 VAL A 158 -6.689 -3.765 -18.768 1.00 4.89 H new ATOM 0 HG21 VAL A 158 -9.667 -2.916 -18.506 1.00 7.29 H new ATOM 0 HG22 VAL A 158 -8.871 -2.559 -19.829 1.00 7.29 H new ATOM 0 HG23 VAL A 158 -10.186 -3.439 -19.908 1.00 7.29 H new ATOM 1079 N LEU A 159 -7.424 -3.212 -21.951 1.00 7.47 N ATOM 1080 CA LEU A 159 -6.547 -2.175 -22.473 1.00 8.28 C ATOM 1081 C LEU A 159 -6.638 -0.964 -21.542 1.00 7.79 C ATOM 1082 O LEU A 159 -7.751 -0.537 -21.092 1.00 7.26 O ATOM 1083 CB LEU A 159 -6.986 -1.823 -23.870 1.00 6.77 C ATOM 1084 CG LEU A 159 -6.672 -2.843 -24.985 1.00 11.90 C ATOM 1085 CD1 LEU A 159 -7.253 -2.289 -26.247 1.00 7.38 C ATOM 1086 CD2 LEU A 159 -5.158 -2.980 -25.150 1.00 15.51 C ATOM 0 H LEU A 159 -8.247 -3.122 -22.183 1.00 7.47 H new ATOM 0 HA LEU A 159 -5.626 -2.477 -22.511 1.00 8.28 H new ATOM 0 HB2 LEU A 159 -7.945 -1.678 -23.856 1.00 6.77 H new ATOM 0 HB3 LEU A 159 -6.575 -0.978 -24.111 1.00 6.77 H new ATOM 0 HG LEU A 159 -7.041 -3.715 -24.773 1.00 11.90 H new ATOM 0 HD11 LEU A 159 -7.079 -2.901 -26.979 1.00 7.38 H new ATOM 0 HD12 LEU A 159 -8.211 -2.177 -26.141 1.00 7.38 H new ATOM 0 HD13 LEU A 159 -6.847 -1.430 -26.440 1.00 7.38 H new ATOM 0 HD21 LEU A 159 -4.965 -3.622 -25.851 1.00 15.51 H new ATOM 0 HD22 LEU A 159 -4.779 -2.119 -25.387 1.00 15.51 H new ATOM 0 HD23 LEU A 159 -4.768 -3.286 -24.316 1.00 15.51 H new ATOM 1087 N LEU A 160 -5.452 -0.444 -21.242 1.00 8.29 N ATOM 1088 CA LEU A 160 -5.255 0.584 -20.269 1.00 8.24 C ATOM 1089 C LEU A 160 -4.272 1.663 -20.787 1.00 8.88 C ATOM 1090 O LEU A 160 -3.232 1.331 -21.379 1.00 8.09 O ATOM 1091 CB LEU A 160 -4.673 -0.017 -19.002 1.00 7.51 C ATOM 1092 CG LEU A 160 -5.389 -0.985 -18.058 1.00 8.66 C ATOM 1093 CD1 LEU A 160 -4.512 -1.117 -16.875 1.00 10.03 C ATOM 1094 CD2 LEU A 160 -6.755 -0.449 -17.608 1.00 11.18 C ATOM 0 H LEU A 160 -4.723 -0.699 -21.621 1.00 8.29 H new ATOM 0 HA LEU A 160 -6.116 0.994 -20.092 1.00 8.24 H new ATOM 0 HB2 LEU A 160 -3.860 -0.470 -19.276 1.00 7.51 H new ATOM 0 HB3 LEU A 160 -4.406 0.737 -18.452 1.00 7.51 H new ATOM 0 HG LEU A 160 -5.551 -1.829 -18.508 1.00 8.66 H new ATOM 0 HD11 LEU A 160 -4.918 -1.724 -16.237 1.00 10.03 H new ATOM 0 HD12 LEU A 160 -3.649 -1.466 -17.149 1.00 10.03 H new ATOM 0 HD13 LEU A 160 -4.392 -0.247 -16.462 1.00 10.03 H new ATOM 0 HD21 LEU A 160 -7.174 -1.090 -17.013 1.00 11.18 H new ATOM 0 HD22 LEU A 160 -6.635 0.393 -17.142 1.00 11.18 H new ATOM 0 HD23 LEU A 160 -7.320 -0.311 -18.384 1.00 11.18 H new ATOM 1095 N PRO A 161 -4.606 2.954 -20.576 1.00 10.15 N ATOM 1096 CA PRO A 161 -3.821 4.134 -20.946 1.00 9.84 C ATOM 1097 C PRO A 161 -2.628 4.300 -19.984 1.00 8.88 C ATOM 1098 O PRO A 161 -2.798 4.298 -18.772 1.00 8.73 O ATOM 1099 CB PRO A 161 -4.832 5.296 -20.802 1.00 10.65 C ATOM 1100 CG PRO A 161 -6.151 4.637 -20.647 1.00 12.50 C ATOM 1101 CD PRO A 161 -5.889 3.340 -19.984 1.00 12.28 C ATOM 0 HA PRO A 161 -3.439 4.085 -21.836 1.00 9.84 H new ATOM 0 HB2 PRO A 161 -4.623 5.850 -20.034 1.00 10.65 H new ATOM 0 HB3 PRO A 161 -4.817 5.874 -21.581 1.00 10.65 H new ATOM 0 HG2 PRO A 161 -6.751 5.183 -20.115 1.00 12.50 H new ATOM 0 HG3 PRO A 161 -6.576 4.506 -21.509 1.00 12.50 H new ATOM 0 HD2 PRO A 161 -5.833 3.429 -19.020 1.00 12.28 H new ATOM 0 HD3 PRO A 161 -6.585 2.690 -20.168 1.00 12.28 H new ATOM 1102 N VAL A 162 -1.422 4.381 -20.532 1.00 8.14 N ATOM 1103 CA VAL A 162 -0.258 4.548 -19.715 1.00 6.80 C ATOM 1104 C VAL A 162 -0.240 6.035 -19.278 1.00 7.30 C ATOM 1105 O VAL A 162 -0.391 6.928 -20.149 1.00 9.58 O ATOM 1106 CB VAL A 162 1.034 4.267 -20.509 1.00 5.97 C ATOM 1107 CG1 VAL A 162 2.248 4.814 -19.735 1.00 4.79 C ATOM 1108 CG2 VAL A 162 1.154 2.812 -20.908 1.00 5.99 C ATOM 0 H VAL A 162 -1.268 4.340 -21.377 1.00 8.14 H new ATOM 0 HA VAL A 162 -0.292 3.932 -18.966 1.00 6.80 H new ATOM 0 HB VAL A 162 1.001 4.742 -21.354 1.00 5.97 H new ATOM 0 HG11 VAL A 162 3.059 4.636 -20.237 1.00 4.79 H new ATOM 0 HG12 VAL A 162 2.149 5.771 -19.611 1.00 4.79 H new ATOM 0 HG13 VAL A 162 2.302 4.380 -18.869 1.00 4.79 H new ATOM 0 HG21 VAL A 162 1.977 2.679 -21.403 1.00 5.99 H new ATOM 0 HG22 VAL A 162 1.163 2.258 -20.112 1.00 5.99 H new ATOM 0 HG23 VAL A 162 0.399 2.566 -21.465 1.00 5.99 H new ATOM 1109 N LEU A 163 0.032 6.274 -17.987 1.00 6.42 N ATOM 1110 CA LEU A 163 0.129 7.621 -17.400 1.00 9.32 C ATOM 1111 C LEU A 163 1.494 8.309 -17.604 1.00 9.82 C ATOM 1112 O LEU A 163 2.528 7.607 -17.790 1.00 10.40 O ATOM 1113 CB LEU A 163 -0.169 7.563 -15.900 1.00 8.91 C ATOM 1114 CG LEU A 163 -1.568 7.180 -15.498 1.00 8.99 C ATOM 1115 CD1 LEU A 163 -1.672 7.399 -13.949 1.00 10.24 C ATOM 1116 CD2 LEU A 163 -2.671 7.867 -16.228 1.00 10.58 C ATOM 0 H LEU A 163 0.168 5.645 -17.417 1.00 6.42 H new ATOM 0 HA LEU A 163 -0.529 8.154 -17.873 1.00 9.32 H new ATOM 0 HB2 LEU A 163 0.445 6.931 -15.494 1.00 8.91 H new ATOM 0 HB3 LEU A 163 0.027 8.433 -15.519 1.00 8.91 H new ATOM 0 HG LEU A 163 -1.702 6.253 -15.749 1.00 8.99 H new ATOM 0 HD11 LEU A 163 -2.563 7.162 -13.648 1.00 10.24 H new ATOM 0 HD12 LEU A 163 -1.020 6.840 -13.498 1.00 10.24 H new ATOM 0 HD13 LEU A 163 -1.498 8.330 -13.741 1.00 10.24 H new ATOM 0 HD21 LEU A 163 -3.526 7.551 -15.895 1.00 10.58 H new ATOM 0 HD22 LEU A 163 -2.604 8.825 -16.088 1.00 10.58 H new ATOM 0 HD23 LEU A 163 -2.602 7.673 -17.176 1.00 10.58 H new ATOM 1117 N ASP A 164 1.497 9.658 -17.612 1.00 12.74 N ATOM 1118 CA ASP A 164 2.785 10.388 -17.559 1.00 13.88 C ATOM 1119 C ASP A 164 3.383 10.186 -16.134 1.00 15.14 C ATOM 1120 O ASP A 164 2.658 9.887 -15.185 1.00 14.26 O ATOM 1121 CB ASP A 164 2.760 11.851 -18.118 1.00 15.67 C ATOM 1122 CG ASP A 164 1.860 12.823 -17.316 1.00 16.27 C ATOM 1123 OD1 ASP A 164 1.068 13.635 -17.930 1.00 16.22 O ATOM 1124 OD2 ASP A 164 1.989 12.817 -16.077 1.00 15.20 O ATOM 0 H ASP A 164 0.794 10.153 -17.646 1.00 12.74 H new ATOM 0 HA ASP A 164 3.403 10.004 -18.201 1.00 13.88 H new ATOM 0 HB2 ASP A 164 3.666 12.198 -18.127 1.00 15.67 H new ATOM 0 HB3 ASP A 164 2.455 11.829 -19.039 1.00 15.67 H new ATOM 1125 N ARG A 165 4.705 10.249 -16.008 1.00 16.08 N ATOM 1126 CA ARG A 165 5.312 9.903 -14.708 1.00 16.66 C ATOM 1127 C ARG A 165 4.915 10.907 -13.607 1.00 14.96 C ATOM 1128 O ARG A 165 4.598 10.530 -12.452 1.00 14.06 O ATOM 1129 CB ARG A 165 6.827 9.655 -14.820 1.00 16.77 C ATOM 1130 CG ARG A 165 7.453 9.085 -13.518 1.00 20.77 C ATOM 1131 CD ARG A 165 8.986 8.800 -13.656 1.00 21.02 C ATOM 1132 NE ARG A 165 9.336 7.368 -13.861 1.00 26.29 N ATOM 1133 CZ ARG A 165 9.080 6.695 -14.994 1.00 24.80 C ATOM 1134 NH1 ARG A 165 8.440 7.284 -16.009 1.00 23.72 N ATOM 1135 NH2 ARG A 165 9.476 5.446 -15.136 1.00 21.21 N ATOM 0 H ARG A 165 5.255 10.478 -16.628 1.00 16.08 H new ATOM 0 HA ARG A 165 4.941 9.052 -14.427 1.00 16.66 H new ATOM 0 HB2 ARG A 165 6.994 9.038 -15.549 1.00 16.77 H new ATOM 0 HB3 ARG A 165 7.269 10.488 -15.046 1.00 16.77 H new ATOM 0 HG2 ARG A 165 7.309 9.713 -12.793 1.00 20.77 H new ATOM 0 HG3 ARG A 165 6.996 8.264 -13.277 1.00 20.77 H new ATOM 0 HD2 ARG A 165 9.333 9.315 -14.401 1.00 21.02 H new ATOM 0 HD3 ARG A 165 9.435 9.119 -12.858 1.00 21.02 H new ATOM 0 HE ARG A 165 9.724 6.949 -13.218 1.00 26.29 H new ATOM 0 HH11 ARG A 165 8.187 8.103 -15.941 1.00 23.72 H new ATOM 0 HH12 ARG A 165 8.281 6.844 -16.730 1.00 23.72 H new ATOM 0 HH21 ARG A 165 9.902 5.055 -14.500 1.00 21.21 H new ATOM 0 HH22 ARG A 165 9.308 5.022 -15.865 1.00 21.21 H new ATOM 1136 N ALA A 166 4.799 12.183 -13.991 1.00 15.36 N ATOM 1137 CA ALA A 166 4.327 13.199 -13.101 1.00 14.74 C ATOM 1138 C ALA A 166 2.921 12.919 -12.536 1.00 15.71 C ATOM 1139 O ALA A 166 2.621 13.326 -11.399 1.00 16.48 O ATOM 1140 CB ALA A 166 4.414 14.665 -13.806 1.00 16.41 C ATOM 0 H ALA A 166 4.996 12.466 -14.779 1.00 15.36 H new ATOM 0 HA ALA A 166 4.918 13.190 -12.332 1.00 14.74 H new ATOM 0 HB1 ALA A 166 4.091 15.340 -13.190 1.00 16.41 H new ATOM 0 HB2 ALA A 166 5.335 14.857 -14.041 1.00 16.41 H new ATOM 0 HB3 ALA A 166 3.868 14.672 -14.608 1.00 16.41 H new ATOM 1141 N THR A 167 2.047 12.239 -13.290 1.00 14.19 N ATOM 1142 CA THR A 167 0.701 11.951 -12.738 1.00 17.05 C ATOM 1143 C THR A 167 0.794 10.748 -11.796 1.00 19.18 C ATOM 1144 O THR A 167 0.234 10.783 -10.706 1.00 19.17 O ATOM 1145 CB THR A 167 -0.397 11.691 -13.788 1.00 16.43 C ATOM 1146 OG1 THR A 167 -0.237 12.556 -14.920 1.00 17.19 O ATOM 1147 CG2 THR A 167 -1.799 11.910 -13.167 1.00 19.01 C ATOM 0 H THR A 167 2.196 11.946 -14.085 1.00 14.19 H new ATOM 0 HA THR A 167 0.429 12.758 -12.273 1.00 17.05 H new ATOM 0 HB THR A 167 -0.315 10.771 -14.083 1.00 16.43 H new ATOM 0 HG1 THR A 167 0.453 12.336 -15.346 1.00 17.19 H new ATOM 0 HG21 THR A 167 -2.480 11.743 -13.838 1.00 19.01 H new ATOM 0 HG22 THR A 167 -1.922 11.300 -12.423 1.00 19.01 H new ATOM 0 HG23 THR A 167 -1.874 12.824 -12.851 1.00 19.01 H new ATOM 1148 N CYS A 168 1.587 9.756 -12.215 1.00 20.61 N ATOM 1149 CA CYS A 168 1.832 8.499 -11.492 1.00 22.14 C ATOM 1150 C CYS A 168 2.369 8.906 -10.112 1.00 22.37 C ATOM 1151 O CYS A 168 2.155 8.205 -9.102 1.00 21.92 O ATOM 1152 CB CYS A 168 2.767 7.582 -12.323 1.00 20.96 C ATOM 1153 SG CYS A 168 3.512 6.084 -11.589 1.00 26.98 S ATOM 0 H CYS A 168 2.015 9.798 -12.960 1.00 20.61 H new ATOM 0 HA CYS A 168 1.034 7.963 -11.361 1.00 22.14 H new ATOM 0 HB2 CYS A 168 2.265 7.297 -13.103 1.00 20.96 H new ATOM 0 HB3 CYS A 168 3.497 8.135 -12.642 1.00 20.96 H new ATOM 1154 N ASN A 169 2.948 10.107 -10.076 1.00 22.29 N ATOM 1155 CA ASN A 169 3.374 10.754 -8.835 1.00 22.39 C ATOM 1156 C ASN A 169 2.528 11.999 -8.541 1.00 21.53 C ATOM 1157 O ASN A 169 2.430 12.402 -7.380 1.00 21.75 O ATOM 1158 CB ASN A 169 4.857 11.134 -8.892 1.00 21.36 C ATOM 1159 CG ASN A 169 5.739 10.006 -9.416 1.00 25.22 C ATOM 1160 OD1 ASN A 169 5.236 9.000 -9.933 1.00 27.73 O ATOM 1161 ND2 ASN A 169 7.067 10.192 -9.337 1.00 21.59 N ATOM 0 H ASN A 169 3.106 10.574 -10.781 1.00 22.29 H new ATOM 0 HA ASN A 169 3.244 10.115 -8.117 1.00 22.39 H new ATOM 0 HB2 ASN A 169 4.965 11.913 -9.460 1.00 21.36 H new ATOM 0 HB3 ASN A 169 5.156 11.386 -8.004 1.00 21.36 H new ATOM 0 HD21 ASN A 169 7.604 9.599 -9.653 1.00 21.59 H new ATOM 0 HD22 ASN A 169 7.380 10.904 -8.971 1.00 21.59 H new ATOM 1162 N GLU A 178 11.638 5.877 -11.269 1.00 17.33 N ATOM 1163 CA GLU A 178 12.166 5.666 -12.655 1.00 16.51 C ATOM 1164 C GLU A 178 12.092 4.222 -13.185 1.00 14.31 C ATOM 1165 O GLU A 178 11.972 4.031 -14.412 1.00 14.35 O ATOM 1166 CB GLU A 178 13.585 6.231 -12.852 1.00 17.69 C ATOM 1167 CG GLU A 178 14.671 5.566 -12.028 1.00 21.15 C ATOM 1168 CD GLU A 178 16.087 5.994 -12.405 1.00 21.99 C ATOM 1169 OE1 GLU A 178 16.281 6.728 -13.417 1.00 28.94 O ATOM 1170 OE2 GLU A 178 17.027 5.610 -11.658 1.00 25.43 O ATOM 0 HA GLU A 178 11.545 6.179 -13.195 1.00 16.51 H new ATOM 0 HB2 GLU A 178 13.820 6.155 -13.790 1.00 17.69 H new ATOM 0 HB3 GLU A 178 13.572 7.177 -12.639 1.00 17.69 H new ATOM 0 HG2 GLU A 178 14.521 5.766 -11.091 1.00 21.15 H new ATOM 0 HG3 GLU A 178 14.596 4.604 -12.128 1.00 21.15 H new ATOM 1171 N ARG A 179 12.105 3.211 -12.298 1.00 11.72 N ATOM 1172 CA ARG A 179 11.955 1.770 -12.705 1.00 11.39 C ATOM 1173 C ARG A 179 10.493 1.221 -12.764 1.00 10.05 C ATOM 1174 O ARG A 179 10.262 0.038 -13.098 1.00 9.79 O ATOM 1175 CB ARG A 179 12.830 0.904 -11.767 1.00 10.63 C ATOM 1176 CG ARG A 179 14.261 1.514 -11.673 1.00 11.58 C ATOM 1177 CD ARG A 179 15.220 0.696 -10.940 1.00 15.75 C ATOM 1178 NE ARG A 179 15.991 -0.079 -11.910 1.00 24.39 N ATOM 1179 CZ ARG A 179 17.081 -0.781 -11.633 1.00 20.81 C ATOM 1180 NH1 ARG A 179 17.557 -0.832 -10.407 1.00 27.03 N ATOM 1181 NH2 ARG A 179 17.693 -1.436 -12.592 1.00 21.63 N ATOM 0 H ARG A 179 12.199 3.326 -11.451 1.00 11.72 H new ATOM 0 HA ARG A 179 12.252 1.719 -13.627 1.00 11.39 H new ATOM 0 HB2 ARG A 179 12.429 0.860 -10.885 1.00 10.63 H new ATOM 0 HB3 ARG A 179 12.878 -0.005 -12.102 1.00 10.63 H new ATOM 0 HG2 ARG A 179 14.598 1.660 -12.571 1.00 11.58 H new ATOM 0 HG3 ARG A 179 14.202 2.383 -11.247 1.00 11.58 H new ATOM 0 HD2 ARG A 179 15.808 1.257 -10.410 1.00 15.75 H new ATOM 0 HD3 ARG A 179 14.760 0.105 -10.323 1.00 15.75 H new ATOM 0 HE ARG A 179 15.716 -0.080 -12.725 1.00 24.39 H new ATOM 0 HH11 ARG A 179 17.160 -0.407 -9.774 1.00 27.03 H new ATOM 0 HH12 ARG A 179 18.265 -1.291 -10.239 1.00 27.03 H new ATOM 0 HH21 ARG A 179 17.387 -1.408 -13.395 1.00 21.63 H new ATOM 0 HH22 ARG A 179 18.400 -1.893 -12.417 1.00 21.63 H new ATOM 1182 N LEU A 180 9.543 2.117 -12.447 1.00 9.64 N ATOM 1183 CA LEU A 180 8.108 1.817 -12.428 1.00 9.72 C ATOM 1184 C LEU A 180 7.385 2.659 -13.460 1.00 8.36 C ATOM 1185 O LEU A 180 7.848 3.754 -13.825 1.00 8.79 O ATOM 1186 CB LEU A 180 7.532 2.159 -11.066 1.00 10.22 C ATOM 1187 CG LEU A 180 8.059 1.507 -9.760 1.00 12.62 C ATOM 1188 CD1 LEU A 180 7.364 2.227 -8.623 1.00 10.46 C ATOM 1189 CD2 LEU A 180 7.913 0.025 -9.702 1.00 12.55 C ATOM 0 H LEU A 180 9.723 2.930 -12.234 1.00 9.64 H new ATOM 0 HA LEU A 180 7.991 0.874 -12.623 1.00 9.72 H new ATOM 0 HB2 LEU A 180 7.625 3.118 -10.956 1.00 10.22 H new ATOM 0 HB3 LEU A 180 6.582 1.969 -11.109 1.00 10.22 H new ATOM 0 HG LEU A 180 9.022 1.613 -9.704 1.00 12.62 H new ATOM 0 HD11 LEU A 180 7.659 1.856 -7.777 1.00 10.46 H new ATOM 0 HD12 LEU A 180 7.583 3.171 -8.656 1.00 10.46 H new ATOM 0 HD13 LEU A 180 6.404 2.115 -8.707 1.00 10.46 H new ATOM 0 HD21 LEU A 180 8.264 -0.302 -8.859 1.00 12.55 H new ATOM 0 HD22 LEU A 180 6.975 -0.211 -9.775 1.00 12.55 H new ATOM 0 HD23 LEU A 180 8.405 -0.378 -10.435 1.00 12.55 H new ATOM 1190 N MET A 181 6.258 2.128 -13.941 1.00 6.78 N ATOM 1191 CA MET A 181 5.305 2.817 -14.732 1.00 6.45 C ATOM 1192 C MET A 181 3.835 2.602 -14.209 1.00 6.72 C ATOM 1193 O MET A 181 3.507 1.603 -13.575 1.00 5.12 O ATOM 1194 CB MET A 181 5.441 2.451 -16.198 1.00 6.60 C ATOM 1195 CG MET A 181 4.963 1.036 -16.506 1.00 2.00 C ATOM 1196 SD MET A 181 5.340 0.390 -18.135 1.00 11.33 S ATOM 1197 CE MET A 181 4.239 1.358 -19.170 1.00 12.03 C ATOM 0 H MET A 181 6.038 1.310 -13.793 1.00 6.78 H new ATOM 0 HA MET A 181 5.493 3.765 -14.648 1.00 6.45 H new ATOM 0 HB2 MET A 181 4.933 3.082 -16.732 1.00 6.60 H new ATOM 0 HB3 MET A 181 6.370 2.538 -16.463 1.00 6.60 H new ATOM 0 HG2 MET A 181 5.348 0.437 -15.847 1.00 2.00 H new ATOM 0 HG3 MET A 181 4.001 1.009 -16.386 1.00 2.00 H new ATOM 0 HE1 MET A 181 4.352 1.095 -20.097 1.00 12.03 H new ATOM 0 HE2 MET A 181 3.320 1.203 -18.900 1.00 12.03 H new ATOM 0 HE3 MET A 181 4.449 2.300 -19.074 1.00 12.03 H new ATOM 1198 N CYS A 182 2.974 3.535 -14.573 1.00 6.63 N ATOM 1199 CA CYS A 182 1.602 3.504 -14.128 1.00 7.60 C ATOM 1200 C CYS A 182 0.677 3.454 -15.314 1.00 7.80 C ATOM 1201 O CYS A 182 0.948 4.089 -16.360 1.00 8.14 O ATOM 1202 CB CYS A 182 1.306 4.739 -13.300 1.00 10.01 C ATOM 1203 SG CYS A 182 2.087 4.641 -11.709 1.00 17.52 S ATOM 0 H CYS A 182 3.170 4.200 -15.082 1.00 6.63 H new ATOM 0 HA CYS A 182 1.463 2.712 -13.585 1.00 7.60 H new ATOM 0 HB2 CYS A 182 1.618 5.529 -13.769 1.00 10.01 H new ATOM 0 HB3 CYS A 182 0.347 4.835 -13.188 1.00 10.01 H new ATOM 1204 N ALA A 183 -0.472 2.786 -15.127 1.00 7.72 N ATOM 1205 CA ALA A 183 -1.561 2.913 -16.074 1.00 6.92 C ATOM 1206 C ALA A 183 -2.921 3.317 -15.399 1.00 7.08 C ATOM 1207 O ALA A 183 -3.072 3.166 -14.185 1.00 6.68 O ATOM 1208 CB ALA A 183 -1.694 1.685 -16.809 1.00 7.91 C ATOM 0 H ALA A 183 -0.629 2.263 -14.463 1.00 7.72 H new ATOM 0 HA ALA A 183 -1.342 3.638 -16.680 1.00 6.92 H new ATOM 0 HB1 ALA A 183 -2.422 1.765 -17.445 1.00 7.91 H new ATOM 0 HB2 ALA A 183 -0.869 1.501 -17.285 1.00 7.91 H new ATOM 0 HB3 ALA A 183 -1.881 0.958 -16.194 1.00 7.91 H new ATOM 1209 N GLU A 184 -3.860 3.898 -16.171 1.00 7.28 N ATOM 1210 CA GLU A 184 -5.155 4.316 -15.561 1.00 10.63 C ATOM 1211 C GLU A 184 -5.788 3.133 -14.832 1.00 8.43 C ATOM 1212 O GLU A 184 -5.843 2.034 -15.342 1.00 9.27 O ATOM 1213 CB GLU A 184 -6.137 4.900 -16.560 1.00 10.63 C ATOM 1214 CG GLU A 184 -5.925 6.462 -16.813 1.00 16.21 C ATOM 1215 CD GLU A 184 -6.780 7.023 -17.974 1.00 17.52 C ATOM 1216 OE1 GLU A 184 -7.851 6.430 -18.284 1.00 21.60 O ATOM 1217 OE2 GLU A 184 -6.357 8.063 -18.575 1.00 22.84 O ATOM 0 H GLU A 184 -3.780 4.056 -17.013 1.00 7.28 H new ATOM 0 HA GLU A 184 -4.950 5.028 -14.935 1.00 10.63 H new ATOM 0 HB2 GLU A 184 -6.051 4.427 -17.403 1.00 10.63 H new ATOM 0 HB3 GLU A 184 -7.041 4.750 -16.241 1.00 10.63 H new ATOM 0 HG2 GLU A 184 -6.140 6.946 -16.000 1.00 16.21 H new ATOM 0 HG3 GLU A 184 -4.988 6.627 -17.002 1.00 16.21 H new ATOM 1218 N SER A 185 -6.261 3.395 -13.642 1.00 8.20 N ATOM 1219 CA SER A 185 -7.003 2.441 -12.840 1.00 6.96 C ATOM 1220 C SER A 185 -8.477 2.847 -12.666 1.00 7.50 C ATOM 1221 O SER A 185 -9.098 2.475 -11.690 1.00 8.83 O ATOM 1222 CB SER A 185 -6.317 2.403 -11.465 1.00 7.76 C ATOM 1223 OG SER A 185 -6.321 3.728 -10.957 1.00 6.56 O ATOM 0 H SER A 185 -6.160 4.158 -13.258 1.00 8.20 H new ATOM 0 HA SER A 185 -7.003 1.576 -13.279 1.00 6.96 H new ATOM 0 HB2 SER A 185 -6.788 1.805 -10.864 1.00 7.76 H new ATOM 0 HB3 SER A 185 -5.410 2.069 -11.544 1.00 7.76 H new ATOM 0 HG SER A 185 -6.906 3.797 -10.358 1.00 6.56 H new ATOM 1224 N ASN A 186 -9.037 3.651 -13.576 1.00 9.24 N ATOM 1225 CA ASN A 186 -10.466 4.079 -13.472 1.00 9.29 C ATOM 1226 C ASN A 186 -11.399 2.929 -13.832 1.00 11.83 C ATOM 1227 CB ASN A 186 -10.735 5.341 -14.318 1.00 10.78 C ATOM 1228 CG ASN A 186 -12.126 6.009 -14.038 1.00 11.78 C ATOM 1229 OD1 ASN A 186 -12.596 6.839 -14.855 1.00 16.98 O ATOM 1230 ND2 ASN A 186 -12.781 5.625 -12.958 1.00 10.84 N ATOM 0 H ASN A 186 -8.621 3.964 -14.261 1.00 9.24 H new ATOM 0 HA ASN A 186 -10.649 4.320 -12.550 1.00 9.29 H new ATOM 0 HB2 ASN A 186 -10.034 5.990 -14.147 1.00 10.78 H new ATOM 0 HB3 ASN A 186 -10.682 5.107 -15.258 1.00 10.78 H new ATOM 0 HD21 ASN A 186 -13.561 5.946 -12.792 1.00 10.84 H new ATOM 0 HD22 ASN A 186 -12.427 5.054 -12.421 1.00 10.84 H new ATOM 1231 N ARG A 187 -11.665 2.171 -12.779 1.00 11.52 N ATOM 1232 CA ARG A 187 -12.563 1.064 -12.814 1.00 13.80 C ATOM 1233 C ARG A 187 -12.032 -0.172 -13.572 1.00 13.89 C ATOM 1234 O ARG A 187 -12.054 -1.254 -13.025 1.00 18.02 O ATOM 1235 CB ARG A 187 -13.965 1.473 -13.156 1.00 15.51 C ATOM 1236 CG ARG A 187 -14.612 2.113 -11.959 1.00 17.30 C ATOM 1237 CD ARG A 187 -16.111 2.278 -12.185 1.00 20.57 C ATOM 1238 NE ARG A 187 -16.839 1.191 -11.545 1.00 23.44 N ATOM 1239 CZ ARG A 187 -17.053 1.070 -10.233 1.00 23.39 C ATOM 1240 NH1 ARG A 187 -17.707 0.005 -9.765 1.00 25.24 N ATOM 1241 NH2 ARG A 187 -16.589 1.975 -9.383 1.00 24.72 N ATOM 0 H ARG A 187 -11.310 2.301 -12.006 1.00 11.52 H new ATOM 0 HA ARG A 187 -12.614 0.738 -11.902 1.00 13.80 H new ATOM 0 HB2 ARG A 187 -13.958 2.094 -13.901 1.00 15.51 H new ATOM 0 HB3 ARG A 187 -14.478 0.699 -13.437 1.00 15.51 H new ATOM 0 HG2 ARG A 187 -14.456 1.569 -11.171 1.00 17.30 H new ATOM 0 HG3 ARG A 187 -14.208 2.979 -11.790 1.00 17.30 H new ATOM 0 HD2 ARG A 187 -16.407 3.129 -11.827 1.00 20.57 H new ATOM 0 HD3 ARG A 187 -16.302 2.288 -13.136 1.00 20.57 H new ATOM 0 HE ARG A 187 -17.157 0.576 -12.055 1.00 23.44 H new ATOM 0 HH11 ARG A 187 -17.988 -0.600 -10.308 1.00 25.24 H new ATOM 0 HH12 ARG A 187 -17.847 -0.077 -8.920 1.00 25.24 H new ATOM 0 HH21 ARG A 187 -16.144 2.651 -9.675 1.00 24.72 H new ATOM 0 HH22 ARG A 187 -16.733 1.887 -8.540 1.00 24.72 H new ATOM 1242 N ARG A 188 -11.424 0.030 -14.739 1.00 12.31 N ATOM 1243 CA ARG A 188 -10.556 -0.936 -15.422 1.00 9.89 C ATOM 1244 C ARG A 188 -9.172 -1.013 -14.709 1.00 9.27 C ATOM 1245 O ARG A 188 -8.571 0.043 -14.375 1.00 7.32 O ATOM 1246 CB ARG A 188 -10.392 -0.437 -16.864 1.00 9.35 C ATOM 1247 CG ARG A 188 -11.635 -0.587 -17.720 1.00 12.68 C ATOM 1248 CD ARG A 188 -11.495 0.049 -19.089 1.00 13.58 C ATOM 1249 NE ARG A 188 -12.735 -0.179 -19.851 1.00 15.97 N ATOM 1250 CZ ARG A 188 -13.711 0.707 -19.968 1.00 19.04 C ATOM 1251 NH1 ARG A 188 -13.583 1.907 -19.394 1.00 19.89 N ATOM 1252 NH2 ARG A 188 -14.799 0.391 -20.687 1.00 20.56 N ATOM 0 H ARG A 188 -11.508 0.766 -15.176 1.00 12.31 H new ATOM 0 HA ARG A 188 -10.940 -1.826 -15.406 1.00 9.89 H new ATOM 0 HB2 ARG A 188 -10.136 0.498 -16.845 1.00 9.35 H new ATOM 0 HB3 ARG A 188 -9.663 -0.922 -17.282 1.00 9.35 H new ATOM 0 HG2 ARG A 188 -11.836 -1.530 -17.827 1.00 12.68 H new ATOM 0 HG3 ARG A 188 -12.389 -0.187 -17.259 1.00 12.68 H new ATOM 0 HD2 ARG A 188 -11.325 1.000 -19.001 1.00 13.58 H new ATOM 0 HD3 ARG A 188 -10.737 -0.332 -19.560 1.00 13.58 H new ATOM 0 HE ARG A 188 -12.831 -0.937 -20.245 1.00 15.97 H new ATOM 0 HH11 ARG A 188 -12.870 2.099 -18.953 1.00 19.89 H new ATOM 0 HH12 ARG A 188 -14.213 2.488 -19.466 1.00 19.89 H new ATOM 0 HH21 ARG A 188 -14.856 -0.379 -21.065 1.00 20.56 H new ATOM 0 HH22 ARG A 188 -15.439 0.959 -20.770 1.00 20.56 H new ATOM 1253 N ASP A 189 -8.663 -2.220 -14.437 1.00 6.33 N ATOM 1254 CA ASP A 189 -7.411 -2.324 -13.672 1.00 7.21 C ATOM 1255 C ASP A 189 -6.957 -3.769 -13.602 1.00 6.79 C ATOM 1256 O ASP A 189 -7.749 -4.687 -13.800 1.00 7.74 O ATOM 1257 CB ASP A 189 -7.657 -1.841 -12.214 1.00 7.29 C ATOM 1258 CG ASP A 189 -6.369 -1.368 -11.489 1.00 8.88 C ATOM 1259 OD1 ASP A 189 -5.261 -1.311 -12.102 1.00 5.65 O ATOM 1260 OD2 ASP A 189 -6.526 -1.009 -10.289 1.00 9.81 O ATOM 0 H ASP A 189 -9.012 -2.968 -14.676 1.00 6.33 H new ATOM 0 HA ASP A 189 -6.738 -1.782 -14.112 1.00 7.21 H new ATOM 0 HB2 ASP A 189 -8.298 -1.113 -12.227 1.00 7.29 H new ATOM 0 HB3 ASP A 189 -8.058 -2.563 -11.706 1.00 7.29 H new ATOM 1261 N SER A 190 -5.666 -3.918 -13.333 1.00 8.44 N ATOM 1262 CA SER A 190 -5.043 -5.101 -12.853 1.00 7.88 C ATOM 1263 C SER A 190 -5.369 -5.173 -11.341 1.00 7.76 C ATOM 1264 O SER A 190 -5.629 -4.150 -10.673 1.00 6.05 O ATOM 1265 CB SER A 190 -3.537 -4.965 -13.140 1.00 11.02 C ATOM 1266 OG SER A 190 -2.983 -3.811 -12.483 1.00 9.30 O ATOM 0 H SER A 190 -5.106 -3.274 -13.439 1.00 8.44 H new ATOM 0 HA SER A 190 -5.351 -5.918 -13.275 1.00 7.88 H new ATOM 0 HB2 SER A 190 -3.075 -5.764 -12.840 1.00 11.02 H new ATOM 0 HB3 SER A 190 -3.393 -4.896 -14.097 1.00 11.02 H new ATOM 0 HG SER A 190 -2.741 -3.250 -13.059 1.00 9.30 H new ATOM 1267 N CYS A 191 -5.350 -6.388 -10.801 1.00 7.54 N ATOM 1268 CA CYS A 191 -5.645 -6.567 -9.375 1.00 6.83 C ATOM 1269 C CYS A 191 -5.024 -7.883 -8.876 1.00 6.71 C ATOM 1270 O CYS A 191 -4.123 -8.452 -9.537 1.00 5.54 O ATOM 1271 CB CYS A 191 -7.156 -6.475 -9.138 1.00 7.54 C ATOM 1272 SG CYS A 191 -7.629 -6.148 -7.373 1.00 10.79 S ATOM 0 H CYS A 191 -5.173 -7.112 -11.230 1.00 7.54 H new ATOM 0 HA CYS A 191 -5.242 -5.855 -8.854 1.00 6.83 H new ATOM 0 HB2 CYS A 191 -7.519 -5.769 -9.696 1.00 7.54 H new ATOM 0 HB3 CYS A 191 -7.570 -7.304 -9.425 1.00 7.54 H new ATOM 1273 N LYS A 192 -5.453 -8.338 -7.694 1.00 5.54 N ATOM 1274 CA LYS A 192 -4.983 -9.590 -7.070 1.00 5.82 C ATOM 1275 C LYS A 192 -4.993 -10.765 -7.981 1.00 4.58 C ATOM 1276 O LYS A 192 -6.033 -11.043 -8.651 1.00 5.15 O ATOM 1277 CB LYS A 192 -5.931 -9.950 -5.896 1.00 5.86 C ATOM 1278 CG LYS A 192 -5.373 -10.903 -4.936 1.00 5.39 C ATOM 1279 CD LYS A 192 -6.401 -11.425 -3.913 1.00 7.25 C ATOM 1280 CE LYS A 192 -5.716 -12.346 -2.910 1.00 13.69 C ATOM 1281 NZ LYS A 192 -6.159 -11.987 -1.512 1.00 18.75 N ATOM 0 H LYS A 192 -6.037 -7.921 -7.220 1.00 5.54 H new ATOM 0 HA LYS A 192 -4.068 -9.420 -6.797 1.00 5.82 H new ATOM 0 HB2 LYS A 192 -6.168 -9.136 -5.425 1.00 5.86 H new ATOM 0 HB3 LYS A 192 -6.752 -10.317 -6.259 1.00 5.86 H new ATOM 0 HG2 LYS A 192 -4.999 -11.656 -5.420 1.00 5.39 H new ATOM 0 HG3 LYS A 192 -4.641 -10.480 -4.460 1.00 5.39 H new ATOM 0 HD2 LYS A 192 -6.814 -10.680 -3.450 1.00 7.25 H new ATOM 0 HD3 LYS A 192 -7.110 -11.903 -4.371 1.00 7.25 H new ATOM 0 HE2 LYS A 192 -5.937 -13.271 -3.102 1.00 13.69 H new ATOM 0 HE3 LYS A 192 -4.753 -12.263 -2.986 1.00 13.69 H new ATOM 0 HZ1 LYS A 192 -5.594 -12.340 -0.922 1.00 18.75 H new ATOM 0 HZ2 LYS A 192 -6.168 -11.102 -1.421 1.00 18.75 H new ATOM 0 HZ3 LYS A 192 -6.977 -12.308 -1.368 1.00 18.75 H new ATOM 1282 N GLY A 193 -3.847 -11.461 -8.068 1.00 3.24 N ATOM 1283 CA GLY A 193 -3.745 -12.645 -8.961 1.00 3.18 C ATOM 1284 C GLY A 193 -3.390 -12.248 -10.396 1.00 2.00 C ATOM 1285 O GLY A 193 -2.951 -13.030 -11.107 1.00 2.48 O ATOM 0 H GLY A 193 -3.130 -11.274 -7.631 1.00 3.24 H new ATOM 0 HA2 GLY A 193 -3.071 -13.252 -8.617 1.00 3.18 H new ATOM 0 HA3 GLY A 193 -4.587 -13.126 -8.958 1.00 3.18 H new ATOM 1286 N ASP A 194 -3.436 -10.968 -10.761 1.00 2.67 N ATOM 1287 CA ASP A 194 -2.755 -10.514 -11.994 1.00 4.42 C ATOM 1288 C ASP A 194 -1.268 -10.200 -11.864 1.00 5.68 C ATOM 1289 O ASP A 194 -0.610 -9.986 -12.918 1.00 5.78 O ATOM 1290 CB ASP A 194 -3.447 -9.257 -12.514 1.00 5.01 C ATOM 1291 CG ASP A 194 -4.926 -9.527 -12.791 1.00 3.72 C ATOM 1292 OD1 ASP A 194 -5.252 -10.602 -13.372 1.00 6.16 O ATOM 1293 OD2 ASP A 194 -5.693 -8.617 -12.458 1.00 6.31 O ATOM 0 H ASP A 194 -3.845 -10.351 -10.324 1.00 2.67 H new ATOM 0 HA ASP A 194 -2.819 -11.270 -12.598 1.00 4.42 H new ATOM 0 HB2 ASP A 194 -3.361 -8.543 -11.864 1.00 5.01 H new ATOM 0 HB3 ASP A 194 -3.011 -8.955 -13.326 1.00 5.01 H new ATOM 1294 N SER A 195 -0.767 -10.140 -10.637 1.00 5.33 N ATOM 1295 CA SER A 195 0.685 -9.843 -10.329 1.00 7.46 C ATOM 1296 C SER A 195 1.517 -10.742 -11.181 1.00 6.49 C ATOM 1297 O SER A 195 1.182 -11.939 -11.301 1.00 7.98 O ATOM 1298 CB SER A 195 1.166 -10.332 -8.947 1.00 6.70 C ATOM 1299 OG SER A 195 0.163 -10.495 -8.038 1.00 12.64 O ATOM 0 H SER A 195 -1.244 -10.268 -9.933 1.00 5.33 H new ATOM 0 HA SER A 195 0.762 -8.882 -10.433 1.00 7.46 H new ATOM 0 HB2 SER A 195 1.631 -11.176 -9.057 1.00 6.70 H new ATOM 0 HB3 SER A 195 1.809 -9.697 -8.595 1.00 6.70 H new ATOM 0 HG SER A 195 -0.313 -11.151 -8.260 1.00 12.64 H new ATOM 1300 N GLY A 196 2.651 -10.210 -11.660 1.00 6.15 N ATOM 1301 CA GLY A 196 3.613 -10.992 -12.435 1.00 6.96 C ATOM 1302 C GLY A 196 3.213 -11.109 -13.919 1.00 7.79 C ATOM 1303 O GLY A 196 3.967 -11.653 -14.702 1.00 9.07 O ATOM 0 H GLY A 196 2.879 -9.389 -11.543 1.00 6.15 H new ATOM 0 HA2 GLY A 196 4.489 -10.580 -12.370 1.00 6.96 H new ATOM 0 HA3 GLY A 196 3.688 -11.880 -12.052 1.00 6.96 H new ATOM 1304 N GLY A 197 1.989 -10.692 -14.270 1.00 5.78 N ATOM 1305 CA GLY A 197 1.524 -10.720 -15.634 1.00 5.82 C ATOM 1306 C GLY A 197 2.026 -9.567 -16.481 1.00 5.69 C ATOM 1307 O GLY A 197 2.667 -8.581 -15.980 1.00 5.71 O ATOM 0 H GLY A 197 1.413 -10.386 -13.710 1.00 5.78 H new ATOM 0 HA2 GLY A 197 1.801 -11.555 -16.043 1.00 5.82 H new ATOM 0 HA3 GLY A 197 0.554 -10.712 -15.635 1.00 5.82 H new ATOM 1308 N PRO A 198 1.734 -9.668 -17.766 1.00 5.19 N ATOM 1309 CA PRO A 198 2.279 -8.766 -18.736 1.00 6.60 C ATOM 1310 C PRO A 198 1.496 -7.466 -18.918 1.00 4.69 C ATOM 1311 O PRO A 198 0.261 -7.443 -18.844 1.00 7.74 O ATOM 1312 CB PRO A 198 2.202 -9.610 -20.005 1.00 4.64 C ATOM 1313 CG PRO A 198 1.171 -10.532 -19.791 1.00 5.47 C ATOM 1314 CD PRO A 198 0.904 -10.706 -18.395 1.00 7.53 C ATOM 0 HA PRO A 198 3.161 -8.455 -18.480 1.00 6.60 H new ATOM 0 HB2 PRO A 198 2.018 -9.056 -20.780 1.00 4.64 H new ATOM 0 HB3 PRO A 198 3.043 -10.062 -20.173 1.00 4.64 H new ATOM 0 HG2 PRO A 198 0.366 -10.229 -20.240 1.00 5.47 H new ATOM 0 HG3 PRO A 198 1.412 -11.385 -20.184 1.00 5.47 H new ATOM 0 HD2 PRO A 198 -0.037 -10.585 -18.192 1.00 7.53 H new ATOM 0 HD3 PRO A 198 1.148 -11.594 -18.091 1.00 7.53 H new ATOM 1315 N LEU A 199 2.218 -6.404 -19.133 1.00 6.85 N ATOM 1316 CA LEU A 199 1.700 -5.191 -19.680 1.00 5.56 C ATOM 1317 C LEU A 199 2.441 -4.961 -21.034 1.00 5.37 C ATOM 1318 O LEU A 199 3.664 -4.728 -21.084 1.00 5.46 O ATOM 1319 CB LEU A 199 1.770 -4.027 -18.682 1.00 7.79 C ATOM 1320 CG LEU A 199 1.351 -2.697 -19.322 1.00 6.06 C ATOM 1321 CD1 LEU A 199 0.733 -1.665 -18.413 1.00 5.03 C ATOM 1322 CD2 LEU A 199 2.534 -2.156 -20.020 1.00 6.44 C ATOM 0 H LEU A 199 3.059 -6.368 -18.957 1.00 6.85 H new ATOM 0 HA LEU A 199 0.748 -5.252 -19.858 1.00 5.56 H new ATOM 0 HB2 LEU A 199 1.194 -4.216 -17.924 1.00 7.79 H new ATOM 0 HB3 LEU A 199 2.674 -3.950 -18.339 1.00 7.79 H new ATOM 0 HG LEU A 199 0.619 -2.900 -19.925 1.00 6.06 H new ATOM 0 HD11 LEU A 199 0.511 -0.873 -18.927 1.00 5.03 H new ATOM 0 HD12 LEU A 199 -0.073 -2.027 -18.013 1.00 5.03 H new ATOM 0 HD13 LEU A 199 1.363 -1.431 -17.714 1.00 5.03 H new ATOM 0 HD21 LEU A 199 2.305 -1.311 -20.438 1.00 6.44 H new ATOM 0 HD22 LEU A 199 3.251 -2.016 -19.382 1.00 6.44 H new ATOM 0 HD23 LEU A 199 2.825 -2.784 -20.699 1.00 6.44 H new ATOM 1323 N VAL A 200 1.664 -5.072 -22.116 1.00 6.49 N ATOM 1324 CA VAL A 200 2.230 -5.240 -23.451 1.00 6.36 C ATOM 1325 C VAL A 200 1.832 -3.998 -24.275 1.00 8.37 C ATOM 1326 O VAL A 200 0.649 -3.654 -24.339 1.00 11.01 O ATOM 1327 CB VAL A 200 1.711 -6.593 -24.101 1.00 7.32 C ATOM 1328 CG1 VAL A 200 2.236 -6.809 -25.476 1.00 7.70 C ATOM 1329 CG2 VAL A 200 2.005 -7.766 -23.215 1.00 9.66 C ATOM 0 H VAL A 200 0.805 -5.052 -22.094 1.00 6.49 H new ATOM 0 HA VAL A 200 3.197 -5.308 -23.422 1.00 6.36 H new ATOM 0 HB VAL A 200 0.748 -6.510 -24.185 1.00 7.32 H new ATOM 0 HG11 VAL A 200 1.891 -7.645 -25.827 1.00 7.70 H new ATOM 0 HG12 VAL A 200 1.955 -6.078 -26.048 1.00 7.70 H new ATOM 0 HG13 VAL A 200 3.205 -6.845 -25.451 1.00 7.70 H new ATOM 0 HG21 VAL A 200 1.679 -8.578 -23.634 1.00 9.66 H new ATOM 0 HG22 VAL A 200 2.963 -7.836 -23.077 1.00 9.66 H new ATOM 0 HG23 VAL A 200 1.564 -7.644 -22.360 1.00 9.66 H new ATOM 1330 N CYS A 201 2.801 -3.359 -24.916 1.00 8.12 N ATOM 1331 CA CYS A 201 2.559 -2.189 -25.763 1.00 9.48 C ATOM 1332 C CYS A 201 3.148 -2.428 -27.161 1.00 10.61 C ATOM 1333 O CYS A 201 4.270 -2.883 -27.277 1.00 9.87 O ATOM 1334 CB CYS A 201 3.177 -0.938 -25.137 1.00 9.68 C ATOM 1335 SG CYS A 201 2.830 -0.684 -23.405 1.00 16.67 S ATOM 0 H CYS A 201 3.628 -3.592 -24.874 1.00 8.12 H new ATOM 0 HA CYS A 201 1.602 -2.052 -25.841 1.00 9.48 H new ATOM 0 HB2 CYS A 201 4.139 -0.980 -25.254 1.00 9.68 H new ATOM 0 HB3 CYS A 201 2.865 -0.163 -25.629 1.00 9.68 H new ATOM 1336 N GLY A 202 2.344 -2.136 -28.218 1.00 12.54 N ATOM 1337 CA GLY A 202 2.755 -2.357 -29.620 1.00 11.84 C ATOM 1338 C GLY A 202 3.414 -3.714 -29.791 1.00 12.60 C ATOM 1339 O GLY A 202 4.549 -3.780 -30.317 1.00 14.59 O ATOM 0 H GLY A 202 1.554 -1.807 -28.135 1.00 12.54 H new ATOM 0 HA2 GLY A 202 1.980 -2.295 -30.200 1.00 11.84 H new ATOM 0 HA3 GLY A 202 3.371 -1.659 -29.893 1.00 11.84 H new ATOM 1340 N GLY A 207 2.836 -4.842 -29.146 1.00 11.19 N ATOM 1341 CA GLY A 207 3.375 -6.184 -29.205 1.00 10.77 C ATOM 1342 C GLY A 207 4.658 -6.514 -28.453 1.00 8.86 C ATOM 1343 O GLY A 207 5.271 -7.536 -28.713 1.00 11.80 O ATOM 0 H GLY A 207 2.119 -4.787 -28.675 1.00 11.19 H new ATOM 0 HA2 GLY A 207 2.687 -6.787 -28.883 1.00 10.77 H new ATOM 0 HA3 GLY A 207 3.524 -6.396 -30.140 1.00 10.77 H new ATOM 1344 N VAL A 208 5.097 -5.625 -27.555 1.00 9.23 N ATOM 1345 CA VAL A 208 6.355 -5.870 -26.844 1.00 8.20 C ATOM 1346 C VAL A 208 6.067 -5.772 -25.328 1.00 7.58 C ATOM 1347 O VAL A 208 5.236 -4.991 -24.929 1.00 6.81 O ATOM 1348 CB VAL A 208 7.448 -4.921 -27.251 1.00 7.48 C ATOM 1349 CG1 VAL A 208 8.763 -5.171 -26.401 1.00 8.10 C ATOM 1350 CG2 VAL A 208 7.760 -4.988 -28.741 1.00 3.99 C ATOM 0 H VAL A 208 4.694 -4.894 -27.348 1.00 9.23 H new ATOM 0 HA VAL A 208 6.681 -6.754 -27.074 1.00 8.20 H new ATOM 0 HB VAL A 208 7.118 -4.027 -27.067 1.00 7.48 H new ATOM 0 HG11 VAL A 208 9.452 -4.549 -26.681 1.00 8.10 H new ATOM 0 HG12 VAL A 208 8.570 -5.038 -25.460 1.00 8.10 H new ATOM 0 HG13 VAL A 208 9.072 -6.080 -26.542 1.00 8.10 H new ATOM 0 HG21 VAL A 208 8.468 -4.360 -28.952 1.00 3.99 H new ATOM 0 HG22 VAL A 208 8.045 -5.886 -28.972 1.00 3.99 H new ATOM 0 HG23 VAL A 208 6.965 -4.761 -29.249 1.00 3.99 H new ATOM 1351 N LEU A 209 6.696 -6.623 -24.529 1.00 6.39 N ATOM 1352 CA LEU A 209 6.543 -6.514 -23.103 1.00 3.91 C ATOM 1353 C LEU A 209 7.217 -5.278 -22.537 1.00 4.23 C ATOM 1354 O LEU A 209 8.479 -5.084 -22.684 1.00 2.16 O ATOM 1355 CB LEU A 209 7.038 -7.775 -22.451 1.00 3.82 C ATOM 1356 CG LEU A 209 6.865 -7.775 -20.911 1.00 2.21 C ATOM 1357 CD1 LEU A 209 5.451 -8.116 -20.615 1.00 3.40 C ATOM 1358 CD2 LEU A 209 7.766 -8.879 -20.323 1.00 10.29 C ATOM 0 H LEU A 209 7.208 -7.260 -24.795 1.00 6.39 H new ATOM 0 HA LEU A 209 5.600 -6.407 -22.905 1.00 3.91 H new ATOM 0 HB2 LEU A 209 6.562 -8.533 -22.824 1.00 3.82 H new ATOM 0 HB3 LEU A 209 7.976 -7.896 -22.665 1.00 3.82 H new ATOM 0 HG LEU A 209 7.099 -6.912 -20.534 1.00 2.21 H new ATOM 0 HD11 LEU A 209 5.314 -8.123 -19.655 1.00 3.40 H new ATOM 0 HD12 LEU A 209 4.867 -7.455 -21.020 1.00 3.40 H new ATOM 0 HD13 LEU A 209 5.247 -8.992 -20.977 1.00 3.40 H new ATOM 0 HD21 LEU A 209 7.671 -8.894 -19.358 1.00 10.29 H new ATOM 0 HD22 LEU A 209 7.504 -9.739 -20.687 1.00 10.29 H new ATOM 0 HD23 LEU A 209 8.691 -8.699 -20.554 1.00 10.29 H new ATOM 1359 N GLU A 210 6.394 -4.443 -21.892 1.00 3.81 N ATOM 1360 CA GLU A 210 6.874 -3.172 -21.300 1.00 5.15 C ATOM 1361 C GLU A 210 6.870 -3.170 -19.769 1.00 7.26 C ATOM 1362 O GLU A 210 7.739 -2.531 -19.113 1.00 6.94 O ATOM 1363 CB GLU A 210 6.106 -1.968 -21.827 1.00 7.83 C ATOM 1364 CG GLU A 210 6.355 -1.641 -23.272 1.00 8.90 C ATOM 1365 CD GLU A 210 7.667 -0.882 -23.583 1.00 13.37 C ATOM 1366 OE1 GLU A 210 8.458 -0.469 -22.674 1.00 11.82 O ATOM 1367 OE2 GLU A 210 7.913 -0.746 -24.811 1.00 13.79 O ATOM 0 H GLU A 210 5.553 -4.589 -21.783 1.00 3.81 H new ATOM 0 HA GLU A 210 7.799 -3.099 -21.583 1.00 5.15 H new ATOM 0 HB2 GLU A 210 5.157 -2.127 -21.704 1.00 7.83 H new ATOM 0 HB3 GLU A 210 6.336 -1.194 -21.290 1.00 7.83 H new ATOM 0 HG2 GLU A 210 6.355 -2.469 -23.777 1.00 8.90 H new ATOM 0 HG3 GLU A 210 5.611 -1.110 -23.597 1.00 8.90 H new ATOM 1368 N GLY A 211 5.878 -3.858 -19.200 1.00 7.37 N ATOM 1369 CA GLY A 211 5.659 -3.839 -17.767 1.00 5.20 C ATOM 1370 C GLY A 211 5.226 -5.226 -17.236 1.00 6.04 C ATOM 1371 O GLY A 211 4.692 -6.088 -17.996 1.00 7.45 O ATOM 0 H GLY A 211 5.320 -4.344 -19.637 1.00 7.37 H new ATOM 0 HA2 GLY A 211 6.473 -3.560 -17.319 1.00 5.20 H new ATOM 0 HA3 GLY A 211 4.978 -3.183 -17.552 1.00 5.20 H new ATOM 1372 N VAL A 212 5.533 -5.475 -15.968 1.00 5.68 N ATOM 1373 CA VAL A 212 5.095 -6.682 -15.230 1.00 4.31 C ATOM 1374 C VAL A 212 4.301 -6.155 -14.018 1.00 4.16 C ATOM 1375 O VAL A 212 4.755 -5.231 -13.339 1.00 2.89 O ATOM 1376 CB VAL A 212 6.293 -7.523 -14.754 1.00 3.49 C ATOM 1377 CG1 VAL A 212 5.903 -8.617 -13.774 1.00 4.10 C ATOM 1378 CG2 VAL A 212 7.150 -8.112 -15.981 1.00 5.69 C ATOM 0 H VAL A 212 6.012 -4.942 -15.493 1.00 5.68 H new ATOM 0 HA VAL A 212 4.564 -7.262 -15.797 1.00 4.31 H new ATOM 0 HB VAL A 212 6.865 -6.909 -14.268 1.00 3.49 H new ATOM 0 HG11 VAL A 212 6.694 -9.112 -13.510 1.00 4.10 H new ATOM 0 HG12 VAL A 212 5.494 -8.219 -12.990 1.00 4.10 H new ATOM 0 HG13 VAL A 212 5.271 -9.220 -14.196 1.00 4.10 H new ATOM 0 HG21 VAL A 212 7.892 -8.633 -15.637 1.00 5.69 H new ATOM 0 HG22 VAL A 212 6.584 -8.678 -16.529 1.00 5.69 H new ATOM 0 HG23 VAL A 212 7.491 -7.380 -16.518 1.00 5.69 H new ATOM 1379 N VAL A 213 3.099 -6.662 -13.853 1.00 5.52 N ATOM 1380 CA VAL A 213 2.164 -6.235 -12.759 1.00 5.75 C ATOM 1381 C VAL A 213 2.882 -6.443 -11.429 1.00 4.22 C ATOM 1382 O VAL A 213 3.448 -7.507 -11.194 1.00 2.96 O ATOM 1383 CB VAL A 213 0.860 -6.988 -12.807 1.00 6.87 C ATOM 1384 CG1 VAL A 213 -0.145 -6.500 -11.648 1.00 6.11 C ATOM 1385 CG2 VAL A 213 0.176 -6.674 -14.170 1.00 5.50 C ATOM 0 H VAL A 213 2.774 -7.272 -14.364 1.00 5.52 H new ATOM 0 HA VAL A 213 1.932 -5.300 -12.872 1.00 5.75 H new ATOM 0 HB VAL A 213 1.046 -7.933 -12.691 1.00 6.87 H new ATOM 0 HG11 VAL A 213 -0.973 -7.002 -11.705 1.00 6.11 H new ATOM 0 HG12 VAL A 213 0.264 -6.649 -10.781 1.00 6.11 H new ATOM 0 HG13 VAL A 213 -0.332 -5.555 -11.759 1.00 6.11 H new ATOM 0 HG21 VAL A 213 -0.668 -7.149 -14.226 1.00 5.50 H new ATOM 0 HG22 VAL A 213 0.015 -5.720 -14.239 1.00 5.50 H new ATOM 0 HG23 VAL A 213 0.754 -6.958 -14.895 1.00 5.50 H new ATOM 1386 N THR A 214 2.916 -5.418 -10.586 1.00 3.40 N ATOM 1387 CA THR A 214 3.570 -5.541 -9.291 1.00 5.28 C ATOM 1388 C THR A 214 2.722 -6.426 -8.370 1.00 3.97 C ATOM 1389 O THR A 214 1.558 -6.752 -8.694 1.00 2.97 O ATOM 1390 CB THR A 214 3.763 -4.147 -8.618 1.00 4.94 C ATOM 1391 OG1 THR A 214 2.496 -3.471 -8.618 1.00 5.16 O ATOM 1392 CG2 THR A 214 4.838 -3.393 -9.372 1.00 5.27 C ATOM 0 H THR A 214 2.569 -4.647 -10.744 1.00 3.40 H new ATOM 0 HA THR A 214 4.443 -5.939 -9.433 1.00 5.28 H new ATOM 0 HB THR A 214 4.057 -4.221 -7.696 1.00 4.94 H new ATOM 0 HG1 THR A 214 2.373 -3.106 -9.364 1.00 5.16 H new ATOM 0 HG21 THR A 214 4.969 -2.523 -8.964 1.00 5.27 H new ATOM 0 HG22 THR A 214 5.668 -3.894 -9.339 1.00 5.27 H new ATOM 0 HG23 THR A 214 4.566 -3.279 -10.296 1.00 5.27 H new ATOM 1393 N SER A 215 3.327 -6.881 -7.260 1.00 6.09 N ATOM 1394 CA SER A 215 2.696 -7.986 -6.548 1.00 7.76 C ATOM 1395 C SER A 215 2.300 -7.567 -5.133 1.00 7.53 C ATOM 1396 O SER A 215 1.897 -8.404 -4.305 1.00 8.19 O ATOM 1397 CB SER A 215 3.561 -9.250 -6.563 1.00 7.74 C ATOM 1398 OG SER A 215 4.796 -9.086 -5.917 1.00 8.07 O ATOM 0 H SER A 215 4.059 -6.580 -6.924 1.00 6.09 H new ATOM 0 HA SER A 215 1.880 -8.214 -7.021 1.00 7.76 H new ATOM 0 HB2 SER A 215 3.074 -9.973 -6.137 1.00 7.74 H new ATOM 0 HB3 SER A 215 3.717 -9.516 -7.483 1.00 7.74 H new ATOM 0 HG SER A 215 5.136 -8.353 -6.145 1.00 8.07 H new ATOM 1399 N GLY A 216 2.458 -6.285 -4.868 1.00 8.10 N ATOM 1400 CA GLY A 216 2.081 -5.743 -3.580 1.00 8.20 C ATOM 1401 C GLY A 216 0.588 -5.493 -3.527 1.00 8.40 C ATOM 1402 O GLY A 216 -0.062 -5.214 -4.579 1.00 8.21 O ATOM 0 H GLY A 216 2.782 -5.711 -5.420 1.00 8.10 H new ATOM 0 HA2 GLY A 216 2.337 -6.360 -2.876 1.00 8.20 H new ATOM 0 HA3 GLY A 216 2.559 -4.915 -3.419 1.00 8.20 H new ATOM 1403 N SER A 217 0.020 -5.640 -2.322 1.00 7.23 N ATOM 1404 CA SER A 217 -1.379 -5.238 -2.071 1.00 8.54 C ATOM 1405 C SER A 217 -1.623 -3.801 -2.498 1.00 7.73 C ATOM 1406 O SER A 217 -0.766 -2.897 -2.276 1.00 8.08 O ATOM 1407 CB SER A 217 -1.694 -5.267 -0.535 1.00 8.20 C ATOM 1408 OG SER A 217 -1.466 -6.547 -0.064 1.00 15.91 O ATOM 0 H SER A 217 0.424 -5.969 -1.638 1.00 7.23 H new ATOM 0 HA SER A 217 -1.933 -5.858 -2.571 1.00 8.54 H new ATOM 0 HB2 SER A 217 -1.134 -4.630 -0.064 1.00 8.20 H new ATOM 0 HB3 SER A 217 -2.615 -5.008 -0.375 1.00 8.20 H new ATOM 0 HG SER A 217 -1.630 -6.576 0.759 1.00 15.91 H new ATOM 1409 N ARG A 218 -2.810 -3.556 -3.073 1.00 6.79 N ATOM 1410 CA ARG A 218 -3.239 -2.200 -3.397 1.00 7.32 C ATOM 1411 C ARG A 218 -4.758 -2.181 -3.648 1.00 7.33 C ATOM 1412 O ARG A 218 -5.314 -3.210 -3.994 1.00 7.15 O ATOM 1413 CB ARG A 218 -2.477 -1.634 -4.605 1.00 6.01 C ATOM 1414 CG ARG A 218 -2.396 -2.631 -5.743 1.00 9.52 C ATOM 1415 CD ARG A 218 -1.868 -2.051 -7.094 1.00 8.17 C ATOM 1416 NE ARG A 218 -2.649 -0.934 -7.559 1.00 5.20 N ATOM 1417 CZ ARG A 218 -3.676 -1.028 -8.405 1.00 5.57 C ATOM 1418 NH1 ARG A 218 -4.029 -2.224 -8.842 1.00 5.65 N ATOM 1419 NH2 ARG A 218 -4.349 0.073 -8.823 1.00 4.39 N ATOM 0 H ARG A 218 -3.378 -4.167 -3.281 1.00 6.79 H new ATOM 0 HA ARG A 218 -3.035 -1.629 -2.640 1.00 7.32 H new ATOM 0 HB2 ARG A 218 -2.917 -0.827 -4.914 1.00 6.01 H new ATOM 0 HB3 ARG A 218 -1.581 -1.382 -4.332 1.00 6.01 H new ATOM 0 HG2 ARG A 218 -1.819 -3.363 -5.473 1.00 9.52 H new ATOM 0 HG3 ARG A 218 -3.279 -3.005 -5.890 1.00 9.52 H new ATOM 0 HD2 ARG A 218 -0.945 -1.773 -6.984 1.00 8.17 H new ATOM 0 HD3 ARG A 218 -1.876 -2.749 -7.767 1.00 8.17 H new ATOM 0 HE ARG A 218 -2.439 -0.151 -7.271 1.00 5.20 H new ATOM 0 HH11 ARG A 218 -3.599 -2.921 -8.580 1.00 5.65 H new ATOM 0 HH12 ARG A 218 -4.689 -2.305 -9.388 1.00 5.65 H new ATOM 0 HH21 ARG A 218 -4.116 0.852 -8.542 1.00 4.39 H new ATOM 0 HH22 ARG A 218 -5.009 -0.008 -9.369 1.00 4.39 H new ATOM 1420 N VAL A 219 -5.384 -1.032 -3.432 1.00 7.43 N ATOM 1421 CA VAL A 219 -6.762 -0.813 -3.799 1.00 8.85 C ATOM 1422 C VAL A 219 -6.746 -0.833 -5.357 1.00 8.03 C ATOM 1423 O VAL A 219 -5.818 -0.283 -6.001 1.00 8.51 O ATOM 1424 CB VAL A 219 -7.288 0.570 -3.229 1.00 10.70 C ATOM 1425 CG1 VAL A 219 -8.680 0.873 -3.678 1.00 8.89 C ATOM 1426 CG2 VAL A 219 -7.271 0.600 -1.640 1.00 9.79 C ATOM 0 H VAL A 219 -5.010 -0.352 -3.063 1.00 7.43 H new ATOM 0 HA VAL A 219 -7.361 -1.482 -3.434 1.00 8.85 H new ATOM 0 HB VAL A 219 -6.681 1.240 -3.579 1.00 10.70 H new ATOM 0 HG11 VAL A 219 -8.961 1.724 -3.308 1.00 8.89 H new ATOM 0 HG12 VAL A 219 -8.705 0.918 -4.647 1.00 8.89 H new ATOM 0 HG13 VAL A 219 -9.279 0.174 -3.371 1.00 8.89 H new ATOM 0 HG21 VAL A 219 -7.598 1.458 -1.329 1.00 9.79 H new ATOM 0 HG22 VAL A 219 -7.840 -0.106 -1.297 1.00 9.79 H new ATOM 0 HG23 VAL A 219 -6.364 0.466 -1.323 1.00 9.79 H new ATOM 1427 N CYS A 220 -7.741 -1.495 -5.918 1.00 8.36 N ATOM 1428 CA CYS A 220 -7.866 -1.702 -7.371 1.00 8.80 C ATOM 1429 C CYS A 220 -9.116 -1.007 -7.866 1.00 7.44 C ATOM 1430 O CYS A 220 -10.137 -0.900 -7.135 1.00 6.79 O ATOM 1431 CB CYS A 220 -8.078 -3.192 -7.657 1.00 8.69 C ATOM 1432 SG CYS A 220 -6.846 -4.275 -7.042 1.00 11.08 S ATOM 0 H CYS A 220 -8.381 -1.848 -5.465 1.00 8.36 H new ATOM 0 HA CYS A 220 -7.066 -1.363 -7.801 1.00 8.80 H new ATOM 0 HB2 CYS A 220 -8.933 -3.457 -7.282 1.00 8.69 H new ATOM 0 HB3 CYS A 220 -8.140 -3.313 -8.617 1.00 8.69 H new ATOM 1433 N GLY A 221 -9.083 -0.600 -9.137 1.00 7.23 N ATOM 1434 CA GLY A 221 -10.157 0.159 -9.749 1.00 5.35 C ATOM 1435 C GLY A 221 -10.465 1.574 -9.258 1.00 7.37 C ATOM 1436 O GLY A 221 -11.492 2.183 -9.696 1.00 7.62 O ATOM 0 H GLY A 221 -8.426 -0.762 -9.668 1.00 7.23 H new ATOM 0 HA2 GLY A 221 -9.965 0.218 -10.698 1.00 5.35 H new ATOM 0 HA3 GLY A 221 -10.969 -0.363 -9.656 1.00 5.35 H new ATOM 1437 N ASN A 222 -9.624 2.098 -8.364 1.00 7.45 N ATOM 1438 CA ASN A 222 -9.713 3.530 -7.948 1.00 9.22 C ATOM 1439 C ASN A 222 -8.793 4.438 -8.797 1.00 9.74 C ATOM 1440 O ASN A 222 -7.551 4.347 -8.733 1.00 9.66 O ATOM 1441 CB ASN A 222 -9.456 3.708 -6.458 1.00 8.93 C ATOM 1442 CG ASN A 222 -9.533 5.201 -5.987 1.00 10.25 C ATOM 1443 OD1 ASN A 222 -9.571 6.158 -6.790 1.00 11.32 O ATOM 1444 ND2 ASN A 222 -9.587 5.378 -4.672 1.00 17.25 N ATOM 0 H ASN A 222 -8.994 1.655 -7.981 1.00 7.45 H new ATOM 0 HA ASN A 222 -10.626 3.812 -8.116 1.00 9.22 H new ATOM 0 HB2 ASN A 222 -10.104 3.185 -5.960 1.00 8.93 H new ATOM 0 HB3 ASN A 222 -8.579 3.353 -6.243 1.00 8.93 H new ATOM 0 HD21 ASN A 222 -9.650 6.172 -4.347 1.00 17.25 H new ATOM 0 HD22 ASN A 222 -9.559 4.699 -4.145 1.00 17.25 H new ATOM 1445 N ARG A 223 -9.424 5.326 -9.533 1.00 10.27 N ATOM 1446 CA ARG A 223 -8.728 6.284 -10.416 1.00 11.02 C ATOM 1447 C ARG A 223 -7.573 7.086 -9.844 1.00 11.13 C ATOM 1448 O ARG A 223 -6.668 7.448 -10.596 1.00 9.37 O ATOM 1449 CB ARG A 223 -9.692 7.197 -11.165 1.00 11.61 C ATOM 1450 CG ARG A 223 -10.607 7.978 -10.358 1.00 17.32 C ATOM 1451 CD ARG A 223 -11.233 9.093 -11.220 1.00 19.33 C ATOM 1452 NE ARG A 223 -10.871 10.369 -10.642 1.00 26.32 N ATOM 1453 CZ ARG A 223 -11.666 11.138 -9.911 1.00 30.29 C ATOM 1454 NH1 ARG A 223 -12.942 10.797 -9.673 1.00 30.83 N ATOM 1455 NH2 ARG A 223 -11.176 12.282 -9.441 1.00 33.13 N ATOM 0 H ARG A 223 -10.280 5.404 -9.546 1.00 10.27 H new ATOM 0 HA ARG A 223 -8.292 5.674 -11.031 1.00 11.02 H new ATOM 0 HB2 ARG A 223 -9.170 7.808 -11.708 1.00 11.61 H new ATOM 0 HB3 ARG A 223 -10.215 6.652 -11.774 1.00 11.61 H new ATOM 0 HG2 ARG A 223 -11.303 7.407 -9.997 1.00 17.32 H new ATOM 0 HG3 ARG A 223 -10.137 8.365 -9.603 1.00 17.32 H new ATOM 0 HD2 ARG A 223 -10.914 9.033 -12.134 1.00 19.33 H new ATOM 0 HD3 ARG A 223 -12.198 8.996 -11.249 1.00 19.33 H new ATOM 0 HE ARG A 223 -10.072 10.653 -10.785 1.00 26.32 H new ATOM 0 HH11 ARG A 223 -13.259 10.066 -9.997 1.00 30.83 H new ATOM 0 HH12 ARG A 223 -13.442 11.309 -9.196 1.00 30.83 H new ATOM 0 HH21 ARG A 223 -10.364 12.505 -9.614 1.00 33.13 H new ATOM 0 HH22 ARG A 223 -11.672 12.798 -8.964 1.00 33.13 H new ATOM 1456 N LYS A 223A -7.659 7.417 -8.545 1.00 9.70 N ATOM 1457 CA LYS A 223A -6.666 8.212 -7.870 1.00 11.05 C ATOM 1458 C LYS A 223A -5.489 7.325 -7.403 1.00 10.87 C ATOM 1459 O LYS A 223A -4.562 7.803 -6.734 1.00 11.81 O ATOM 1460 CB LYS A 223A -7.277 8.837 -6.607 1.00 10.67 C ATOM 1461 CG LYS A 223A -8.656 9.600 -6.745 1.00 13.50 C ATOM 1462 CD LYS A 223A -8.489 10.987 -7.377 1.00 13.05 C ATOM 1463 CE LYS A 223A -7.855 12.084 -6.421 1.00 13.50 C ATOM 1464 NZ LYS A 223A -6.381 12.211 -6.575 1.00 17.79 N ATOM 0 H LYS A 223A -8.311 7.175 -8.039 1.00 9.70 H new ATOM 0 HA LYS A 223A -6.358 8.892 -8.490 1.00 11.05 H new ATOM 0 HB2 LYS A 223A -7.393 8.130 -5.953 1.00 10.67 H new ATOM 0 HB3 LYS A 223A -6.629 9.459 -6.241 1.00 10.67 H new ATOM 0 HG2 LYS A 223A -9.264 9.071 -7.285 1.00 13.50 H new ATOM 0 HG3 LYS A 223A -9.062 9.692 -5.869 1.00 13.50 H new ATOM 0 HD2 LYS A 223A -7.932 10.903 -8.166 1.00 13.05 H new ATOM 0 HD3 LYS A 223A -9.358 11.299 -7.675 1.00 13.05 H new ATOM 0 HE2 LYS A 223A -8.269 12.942 -6.603 1.00 13.50 H new ATOM 0 HE3 LYS A 223A -8.060 11.860 -5.500 1.00 13.50 H new ATOM 0 HZ1 LYS A 223A -6.127 13.031 -6.339 1.00 17.79 H new ATOM 0 HZ2 LYS A 223A -5.975 11.614 -6.055 1.00 17.79 H new ATOM 0 HZ3 LYS A 223A -6.157 12.065 -7.424 1.00 17.79 H new ATOM 1465 N LYS A 224 -5.614 6.013 -7.618 1.00 10.10 N ATOM 1466 CA LYS A 224 -4.610 5.071 -7.159 1.00 10.17 C ATOM 1467 C LYS A 224 -4.251 4.184 -8.362 1.00 10.12 C ATOM 1468 O LYS A 224 -4.698 3.048 -8.448 1.00 8.67 O ATOM 1469 CB LYS A 224 -5.095 4.298 -5.921 1.00 10.69 C ATOM 1470 CG LYS A 224 -5.355 5.302 -4.675 1.00 11.72 C ATOM 1471 CD LYS A 224 -5.819 4.534 -3.423 1.00 13.82 C ATOM 1472 CE LYS A 224 -6.173 5.453 -2.238 1.00 16.14 C ATOM 1473 NZ LYS A 224 -7.217 4.702 -1.358 1.00 17.92 N ATOM 0 H LYS A 224 -6.278 5.654 -8.030 1.00 10.10 H new ATOM 0 HA LYS A 224 -3.806 5.519 -6.853 1.00 10.17 H new ATOM 0 HB2 LYS A 224 -5.913 3.821 -6.133 1.00 10.69 H new ATOM 0 HB3 LYS A 224 -4.435 3.632 -5.672 1.00 10.69 H new ATOM 0 HG2 LYS A 224 -4.541 5.789 -4.474 1.00 11.72 H new ATOM 0 HG3 LYS A 224 -6.025 5.959 -4.921 1.00 11.72 H new ATOM 0 HD2 LYS A 224 -6.594 3.997 -3.650 1.00 13.82 H new ATOM 0 HD3 LYS A 224 -5.119 3.921 -3.150 1.00 13.82 H new ATOM 0 HE2 LYS A 224 -5.380 5.664 -1.721 1.00 16.14 H new ATOM 0 HE3 LYS A 224 -6.537 6.294 -2.556 1.00 16.14 H new ATOM 0 HZ1 LYS A 224 -7.463 5.222 -0.679 1.00 17.92 H new ATOM 0 HZ2 LYS A 224 -7.931 4.501 -1.850 1.00 17.92 H new ATOM 0 HZ3 LYS A 224 -6.855 3.953 -1.041 1.00 17.92 H new ATOM 1474 N PRO A 225 -3.411 4.715 -9.294 1.00 8.97 N ATOM 1475 CA PRO A 225 -3.087 3.943 -10.536 1.00 9.59 C ATOM 1476 C PRO A 225 -2.512 2.558 -10.286 1.00 7.89 C ATOM 1477 O PRO A 225 -1.916 2.307 -9.259 1.00 9.38 O ATOM 1478 CB PRO A 225 -2.001 4.799 -11.248 1.00 8.50 C ATOM 1479 CG PRO A 225 -1.858 6.003 -10.489 1.00 11.21 C ATOM 1480 CD PRO A 225 -2.731 6.004 -9.247 1.00 9.72 C ATOM 0 HA PRO A 225 -3.901 3.797 -11.043 1.00 9.59 H new ATOM 0 HB2 PRO A 225 -1.159 4.319 -11.293 1.00 8.50 H new ATOM 0 HB3 PRO A 225 -2.263 4.997 -12.161 1.00 8.50 H new ATOM 0 HG2 PRO A 225 -0.930 6.112 -10.230 1.00 11.21 H new ATOM 0 HG3 PRO A 225 -2.089 6.764 -11.045 1.00 11.21 H new ATOM 0 HD2 PRO A 225 -2.201 6.097 -8.440 1.00 9.72 H new ATOM 0 HD3 PRO A 225 -3.363 6.740 -9.257 1.00 9.72 H new ATOM 1481 N GLY A 226 -2.718 1.678 -11.261 1.00 6.86 N ATOM 1482 CA GLY A 226 -1.971 0.469 -11.428 1.00 7.09 C ATOM 1483 C GLY A 226 -0.471 0.665 -11.498 1.00 4.72 C ATOM 1484 O GLY A 226 0.038 1.591 -12.134 1.00 6.97 O ATOM 0 H GLY A 226 -3.325 1.786 -11.861 1.00 6.86 H new ATOM 0 HA2 GLY A 226 -2.174 -0.128 -10.691 1.00 7.09 H new ATOM 0 HA3 GLY A 226 -2.267 0.028 -12.240 1.00 7.09 H new ATOM 1485 N ILE A 227 0.265 -0.209 -10.839 1.00 4.77 N ATOM 1486 CA ILE A 227 1.715 -0.069 -10.913 1.00 6.60 C ATOM 1487 C ILE A 227 2.320 -1.269 -11.577 1.00 6.69 C ATOM 1488 O ILE A 227 1.988 -2.428 -11.267 1.00 8.01 O ATOM 1489 CB ILE A 227 2.363 0.125 -9.520 1.00 6.05 C ATOM 1490 CG1 ILE A 227 1.565 1.132 -8.698 1.00 8.78 C ATOM 1491 CG2 ILE A 227 3.845 0.504 -9.650 1.00 9.31 C ATOM 1492 CD1 ILE A 227 1.999 1.136 -7.228 1.00 12.07 C ATOM 0 H ILE A 227 -0.031 -0.862 -10.364 1.00 4.77 H new ATOM 0 HA ILE A 227 1.893 0.728 -11.437 1.00 6.60 H new ATOM 0 HB ILE A 227 2.337 -0.718 -9.040 1.00 6.05 H new ATOM 0 HG12 ILE A 227 1.681 2.019 -9.072 1.00 8.78 H new ATOM 0 HG13 ILE A 227 0.620 0.921 -8.756 1.00 8.78 H new ATOM 0 HG21 ILE A 227 4.228 0.620 -8.767 1.00 9.31 H new ATOM 0 HG22 ILE A 227 4.320 -0.201 -10.118 1.00 9.31 H new ATOM 0 HG23 ILE A 227 3.925 1.333 -10.148 1.00 9.31 H new ATOM 0 HD11 ILE A 227 1.472 1.786 -6.737 1.00 12.07 H new ATOM 0 HD12 ILE A 227 1.861 0.255 -6.847 1.00 12.07 H new ATOM 0 HD13 ILE A 227 2.938 1.370 -7.168 1.00 12.07 H new ATOM 1493 N TYR A 228 3.283 -0.976 -12.436 1.00 6.78 N ATOM 1494 CA TYR A 228 3.920 -2.027 -13.228 1.00 6.35 C ATOM 1495 C TYR A 228 5.427 -1.804 -13.221 1.00 6.92 C ATOM 1496 O TYR A 228 5.854 -0.649 -13.387 1.00 6.68 O ATOM 1497 CB TYR A 228 3.368 -1.889 -14.650 1.00 6.40 C ATOM 1498 CG TYR A 228 1.861 -1.991 -14.692 1.00 7.04 C ATOM 1499 CD1 TYR A 228 1.064 -0.850 -14.501 1.00 8.81 C ATOM 1500 CD2 TYR A 228 1.227 -3.218 -14.910 1.00 6.48 C ATOM 1501 CE1 TYR A 228 -0.314 -0.939 -14.475 1.00 10.27 C ATOM 1502 CE2 TYR A 228 -0.182 -3.303 -14.965 1.00 6.00 C ATOM 1503 CZ TYR A 228 -0.929 -2.141 -14.721 1.00 9.29 C ATOM 1504 OH TYR A 228 -2.274 -2.130 -14.683 1.00 6.69 O ATOM 0 H TYR A 228 3.584 -0.183 -12.578 1.00 6.78 H new ATOM 0 HA TYR A 228 3.741 -2.912 -12.874 1.00 6.35 H new ATOM 0 HB2 TYR A 228 3.643 -1.036 -15.020 1.00 6.40 H new ATOM 0 HB3 TYR A 228 3.753 -2.579 -15.213 1.00 6.40 H new ATOM 0 HD1 TYR A 228 1.471 -0.021 -14.390 1.00 8.81 H new ATOM 0 HD2 TYR A 228 1.739 -3.987 -15.020 1.00 6.48 H new ATOM 0 HE1 TYR A 228 -0.825 -0.184 -14.291 1.00 10.27 H new ATOM 0 HE2 TYR A 228 -0.604 -4.109 -15.158 1.00 6.00 H new ATOM 0 HH TYR A 228 -2.570 -2.840 -15.021 1.00 6.69 H new ATOM 1505 N THR A 229 6.206 -2.882 -13.050 1.00 5.90 N ATOM 1506 CA THR A 229 7.734 -2.839 -13.190 1.00 6.19 C ATOM 1507 C THR A 229 8.200 -2.706 -14.649 1.00 5.96 C ATOM 1508 O THR A 229 7.711 -3.463 -15.515 1.00 5.95 O ATOM 1509 CB THR A 229 8.353 -4.137 -12.562 1.00 7.98 C ATOM 1510 OG1 THR A 229 7.832 -4.313 -11.222 1.00 8.46 O ATOM 1511 CG2 THR A 229 9.897 -4.078 -12.480 1.00 6.96 C ATOM 0 H THR A 229 5.898 -3.660 -12.852 1.00 5.90 H new ATOM 0 HA THR A 229 8.040 -2.048 -12.719 1.00 6.19 H new ATOM 0 HB THR A 229 8.110 -4.879 -13.138 1.00 7.98 H new ATOM 0 HG1 THR A 229 8.075 -3.670 -10.740 1.00 8.46 H new ATOM 0 HG21 THR A 229 10.232 -4.899 -12.087 1.00 6.96 H new ATOM 0 HG22 THR A 229 10.265 -3.973 -13.371 1.00 6.96 H new ATOM 0 HG23 THR A 229 10.163 -3.325 -11.930 1.00 6.96 H new ATOM 1512 N ARG A 230 9.108 -1.747 -14.951 1.00 5.64 N ATOM 1513 CA ARG A 230 9.463 -1.507 -16.370 1.00 5.92 C ATOM 1514 C ARG A 230 10.581 -2.484 -16.666 1.00 7.00 C ATOM 1515 O ARG A 230 11.683 -2.342 -16.114 1.00 6.73 O ATOM 1516 CB ARG A 230 9.934 -0.071 -16.647 1.00 6.70 C ATOM 1517 CG ARG A 230 9.285 0.999 -15.937 1.00 7.46 C ATOM 1518 CD ARG A 230 9.610 2.411 -16.437 1.00 9.71 C ATOM 1519 NE ARG A 230 10.105 2.527 -17.798 1.00 11.11 N ATOM 1520 CZ ARG A 230 11.409 2.623 -18.069 1.00 9.94 C ATOM 1521 NH1 ARG A 230 12.286 2.548 -17.087 1.00 11.83 N ATOM 1522 NH2 ARG A 230 11.815 2.720 -19.307 1.00 12.95 N ATOM 0 H ARG A 230 9.511 -1.248 -14.378 1.00 5.64 H new ATOM 0 HA ARG A 230 8.683 -1.630 -16.933 1.00 5.92 H new ATOM 0 HB2 ARG A 230 10.883 -0.026 -16.451 1.00 6.70 H new ATOM 0 HB3 ARG A 230 9.833 0.098 -17.597 1.00 6.70 H new ATOM 0 HG2 ARG A 230 8.326 0.867 -15.989 1.00 7.46 H new ATOM 0 HG3 ARG A 230 9.529 0.940 -15.000 1.00 7.46 H new ATOM 0 HD2 ARG A 230 8.808 2.951 -16.360 1.00 9.71 H new ATOM 0 HD3 ARG A 230 10.270 2.798 -15.841 1.00 9.71 H new ATOM 0 HE ARG A 230 9.542 2.534 -18.448 1.00 11.11 H new ATOM 0 HH11 ARG A 230 12.017 2.438 -16.278 1.00 11.83 H new ATOM 0 HH12 ARG A 230 13.127 2.609 -17.256 1.00 11.83 H new ATOM 0 HH21 ARG A 230 11.242 2.722 -19.948 1.00 12.95 H new ATOM 0 HH22 ARG A 230 12.655 2.782 -19.480 1.00 12.95 H new ATOM 1523 N VAL A 231 10.334 -3.475 -17.525 1.00 6.91 N ATOM 1524 CA VAL A 231 11.368 -4.492 -17.753 1.00 7.09 C ATOM 1525 C VAL A 231 12.626 -3.851 -18.326 1.00 7.01 C ATOM 1526 O VAL A 231 13.722 -4.356 -18.074 1.00 7.50 O ATOM 1527 CB VAL A 231 10.911 -5.712 -18.670 1.00 7.81 C ATOM 1528 CG1 VAL A 231 9.676 -6.371 -18.054 1.00 6.07 C ATOM 1529 CG2 VAL A 231 10.621 -5.189 -20.057 1.00 7.89 C ATOM 0 H VAL A 231 9.606 -3.577 -17.971 1.00 6.91 H new ATOM 0 HA VAL A 231 11.550 -4.873 -16.880 1.00 7.09 H new ATOM 0 HB VAL A 231 11.611 -6.381 -18.729 1.00 7.81 H new ATOM 0 HG11 VAL A 231 9.395 -7.115 -18.610 1.00 6.07 H new ATOM 0 HG12 VAL A 231 9.891 -6.695 -17.165 1.00 6.07 H new ATOM 0 HG13 VAL A 231 8.958 -5.722 -17.996 1.00 6.07 H new ATOM 0 HG21 VAL A 231 10.341 -5.922 -20.627 1.00 7.89 H new ATOM 0 HG22 VAL A 231 9.914 -4.527 -20.012 1.00 7.89 H new ATOM 0 HG23 VAL A 231 11.422 -4.782 -20.424 1.00 7.89 H new ATOM 1530 N ALA A 232 12.480 -2.722 -19.044 1.00 9.21 N ATOM 1531 CA ALA A 232 13.666 -2.181 -19.725 1.00 10.59 C ATOM 1532 C ALA A 232 14.686 -1.790 -18.688 1.00 10.33 C ATOM 1533 O ALA A 232 15.907 -1.881 -18.950 1.00 9.74 O ATOM 1534 CB ALA A 232 13.327 -1.025 -20.657 1.00 11.16 C ATOM 0 H ALA A 232 11.749 -2.280 -19.145 1.00 9.21 H new ATOM 0 HA ALA A 232 14.039 -2.870 -20.297 1.00 10.59 H new ATOM 0 HB1 ALA A 232 14.138 -0.703 -21.081 1.00 11.16 H new ATOM 0 HB2 ALA A 232 12.705 -1.329 -21.337 1.00 11.16 H new ATOM 0 HB3 ALA A 232 12.922 -0.306 -20.147 1.00 11.16 H new ATOM 1535 N SER A 233 14.205 -1.396 -17.494 1.00 8.46 N ATOM 1536 CA SER A 233 15.072 -1.072 -16.361 1.00 10.18 C ATOM 1537 C SER A 233 16.026 -2.149 -15.859 1.00 10.30 C ATOM 1538 O SER A 233 16.947 -1.839 -15.130 1.00 11.13 O ATOM 1539 CB SER A 233 14.232 -0.715 -15.149 1.00 8.93 C ATOM 1540 OG SER A 233 14.024 0.633 -15.137 1.00 14.47 O ATOM 0 H SER A 233 13.366 -1.312 -17.326 1.00 8.46 H new ATOM 0 HA SER A 233 15.611 -0.354 -16.728 1.00 10.18 H new ATOM 0 HB2 SER A 233 13.384 -1.185 -15.178 1.00 8.93 H new ATOM 0 HB3 SER A 233 14.682 -0.992 -14.336 1.00 8.93 H new ATOM 0 HG SER A 233 14.701 1.024 -15.443 1.00 14.47 H new ATOM 1541 N TYR A 234 15.681 -3.399 -16.140 1.00 9.48 N ATOM 1542 CA TYR A 234 16.309 -4.592 -15.636 1.00 10.58 C ATOM 1543 C TYR A 234 16.880 -5.403 -16.772 1.00 10.01 C ATOM 1544 O TYR A 234 17.061 -6.630 -16.638 1.00 10.49 O ATOM 1545 CB TYR A 234 15.251 -5.394 -14.829 1.00 10.74 C ATOM 1546 CG TYR A 234 14.827 -4.616 -13.595 1.00 11.49 C ATOM 1547 CD1 TYR A 234 15.605 -4.618 -12.443 1.00 12.60 C ATOM 1548 CD2 TYR A 234 13.671 -3.836 -13.602 1.00 11.95 C ATOM 1549 CE1 TYR A 234 15.229 -3.863 -11.314 1.00 11.07 C ATOM 1550 CE2 TYR A 234 13.262 -3.130 -12.490 1.00 8.73 C ATOM 1551 CZ TYR A 234 14.063 -3.121 -11.355 1.00 10.86 C ATOM 1552 OH TYR A 234 13.646 -2.369 -10.291 1.00 14.96 O ATOM 0 H TYR A 234 15.026 -3.576 -16.669 1.00 9.48 H new ATOM 0 HA TYR A 234 17.049 -4.366 -15.051 1.00 10.58 H new ATOM 0 HB2 TYR A 234 14.478 -5.574 -15.387 1.00 10.74 H new ATOM 0 HB3 TYR A 234 15.618 -6.253 -14.567 1.00 10.74 H new ATOM 0 HD1 TYR A 234 16.384 -5.125 -12.417 1.00 12.60 H new ATOM 0 HD2 TYR A 234 13.161 -3.791 -14.379 1.00 11.95 H new ATOM 0 HE1 TYR A 234 15.759 -3.864 -10.550 1.00 11.07 H new ATOM 0 HE2 TYR A 234 12.457 -2.664 -12.500 1.00 8.73 H new ATOM 0 HH TYR A 234 14.162 -2.493 -9.640 1.00 14.96 H new ATOM 1553 N ALA A 235 17.155 -4.722 -17.897 1.00 9.81 N ATOM 1554 CA ALA A 235 17.668 -5.416 -19.086 1.00 9.66 C ATOM 1555 C ALA A 235 18.935 -6.272 -18.857 1.00 10.10 C ATOM 1556 O ALA A 235 18.988 -7.435 -19.246 1.00 14.05 O ATOM 1557 CB ALA A 235 17.819 -4.458 -20.268 1.00 8.04 C ATOM 0 H ALA A 235 17.053 -3.873 -17.989 1.00 9.81 H new ATOM 0 HA ALA A 235 16.986 -6.069 -19.307 1.00 9.66 H new ATOM 0 HB1 ALA A 235 18.158 -4.943 -21.036 1.00 8.04 H new ATOM 0 HB2 ALA A 235 16.956 -4.073 -20.485 1.00 8.04 H new ATOM 0 HB3 ALA A 235 18.439 -3.750 -20.034 1.00 8.04 H new ATOM 1558 N ALA A 236 19.942 -5.713 -18.205 1.00 11.75 N ATOM 1559 CA ALA A 236 21.174 -6.437 -17.812 1.00 11.60 C ATOM 1560 C ALA A 236 20.934 -7.597 -16.857 1.00 12.23 C ATOM 1561 O ALA A 236 21.662 -8.610 -16.914 1.00 12.60 O ATOM 1562 CB ALA A 236 22.192 -5.443 -17.198 1.00 13.15 C ATOM 0 H ALA A 236 19.942 -4.886 -17.968 1.00 11.75 H new ATOM 0 HA ALA A 236 21.530 -6.831 -18.624 1.00 11.60 H new ATOM 0 HB1 ALA A 236 22.997 -5.920 -16.942 1.00 13.15 H new ATOM 0 HB2 ALA A 236 22.415 -4.762 -17.852 1.00 13.15 H new ATOM 0 HB3 ALA A 236 21.803 -5.023 -16.415 1.00 13.15 H new ATOM 1563 N TRP A 237 19.959 -7.484 -15.953 1.00 11.73 N ATOM 1564 CA TRP A 237 19.759 -8.614 -15.015 1.00 11.29 C ATOM 1565 C TRP A 237 19.053 -9.756 -15.748 1.00 11.38 C ATOM 1566 O TRP A 237 19.420 -10.929 -15.637 1.00 11.17 O ATOM 1567 CB TRP A 237 18.951 -8.161 -13.772 1.00 11.26 C ATOM 1568 CG TRP A 237 18.483 -9.322 -12.947 1.00 12.71 C ATOM 1569 CD1 TRP A 237 19.276 -10.092 -12.128 1.00 8.76 C ATOM 1570 CD2 TRP A 237 17.140 -9.873 -12.836 1.00 10.52 C ATOM 1571 NE1 TRP A 237 18.531 -11.048 -11.533 1.00 13.82 N ATOM 1572 CE2 TRP A 237 17.222 -10.941 -11.930 1.00 11.00 C ATOM 1573 CE3 TRP A 237 15.877 -9.539 -13.401 1.00 12.11 C ATOM 1574 CZ2 TRP A 237 16.107 -11.721 -11.566 1.00 9.58 C ATOM 1575 CZ3 TRP A 237 14.773 -10.293 -13.045 1.00 7.03 C ATOM 1576 CH2 TRP A 237 14.897 -11.392 -12.151 1.00 8.97 C ATOM 0 H TRP A 237 19.430 -6.813 -15.860 1.00 11.73 H new ATOM 0 HA TRP A 237 20.621 -8.927 -14.700 1.00 11.29 H new ATOM 0 HB2 TRP A 237 19.501 -7.579 -13.225 1.00 11.26 H new ATOM 0 HB3 TRP A 237 18.185 -7.640 -14.059 1.00 11.26 H new ATOM 0 HD1 TRP A 237 20.190 -9.972 -12.003 1.00 8.76 H new ATOM 0 HE1 TRP A 237 18.833 -11.638 -10.985 1.00 13.82 H new ATOM 0 HE3 TRP A 237 15.796 -8.829 -13.997 1.00 12.11 H new ATOM 0 HZ2 TRP A 237 16.181 -12.424 -10.961 1.00 9.58 H new ATOM 0 HZ3 TRP A 237 13.939 -10.078 -13.395 1.00 7.03 H new ATOM 0 HH2 TRP A 237 14.145 -11.903 -11.954 1.00 8.97 H new ATOM 1577 N ILE A 238 18.053 -9.410 -16.558 1.00 10.11 N ATOM 1578 CA ILE A 238 17.314 -10.436 -17.348 1.00 10.03 C ATOM 1579 C ILE A 238 18.231 -11.196 -18.312 1.00 9.97 C ATOM 1580 O ILE A 238 18.073 -12.383 -18.502 1.00 12.37 O ATOM 1581 CB ILE A 238 16.149 -9.805 -18.188 1.00 9.31 C ATOM 1582 CG1 ILE A 238 15.088 -9.172 -17.268 1.00 11.52 C ATOM 1583 CG2 ILE A 238 15.499 -10.842 -19.138 1.00 9.96 C ATOM 1584 CD1 ILE A 238 13.993 -8.385 -18.110 1.00 11.20 C ATOM 0 H ILE A 238 17.780 -8.603 -16.673 1.00 10.11 H new ATOM 0 HA ILE A 238 16.950 -11.051 -16.692 1.00 10.03 H new ATOM 0 HB ILE A 238 16.536 -9.106 -18.738 1.00 9.31 H new ATOM 0 HG12 ILE A 238 14.659 -9.864 -16.741 1.00 11.52 H new ATOM 0 HG13 ILE A 238 15.517 -8.566 -16.644 1.00 11.52 H new ATOM 0 HG21 ILE A 238 14.785 -10.418 -19.640 1.00 9.96 H new ATOM 0 HG22 ILE A 238 16.168 -11.182 -19.752 1.00 9.96 H new ATOM 0 HG23 ILE A 238 15.136 -11.576 -18.617 1.00 9.96 H new ATOM 0 HD11 ILE A 238 13.339 -7.997 -17.508 1.00 11.20 H new ATOM 0 HD12 ILE A 238 14.422 -7.679 -18.619 1.00 11.20 H new ATOM 0 HD13 ILE A 238 13.550 -8.998 -18.717 1.00 11.20 H new ATOM 1585 N ASP A 239 19.132 -10.484 -18.985 1.00 11.59 N ATOM 1586 CA ASP A 239 20.095 -11.109 -19.919 1.00 10.93 C ATOM 1587 C ASP A 239 21.039 -11.987 -19.122 1.00 11.67 C ATOM 1588 O ASP A 239 21.303 -13.122 -19.534 0.50 10.26 O ATOM 1589 CB ASP A 239 20.971 -10.073 -20.611 1.00 12.70 C ATOM 1590 CG ASP A 239 20.224 -9.292 -21.707 1.00 11.50 C ATOM 1591 OD1 ASP A 239 19.163 -9.772 -22.139 1.00 11.34 O ATOM 1592 OD2 ASP A 239 20.756 -8.235 -22.104 1.00 14.42 O ATOM 0 H ASP A 239 19.209 -9.630 -18.920 1.00 11.59 H new ATOM 0 HA ASP A 239 19.581 -11.600 -20.579 1.00 10.93 H new ATOM 0 HB2 ASP A 239 21.310 -9.449 -19.950 1.00 12.70 H new ATOM 0 HB3 ASP A 239 21.740 -10.516 -21.003 1.00 12.70 H new ATOM 1593 N SER A 240 21.552 -11.429 -18.018 1.00 13.10 N ATOM 1594 CA SER A 240 22.524 -12.163 -17.147 1.00 14.23 C ATOM 1595 C SER A 240 21.897 -13.535 -16.746 1.00 15.76 C ATOM 1596 O SER A 240 22.373 -14.578 -17.195 1.00 19.41 O ATOM 1597 CB SER A 240 22.985 -11.313 -15.971 1.00 14.41 C ATOM 1598 OG SER A 240 22.005 -11.185 -14.922 1.00 12.06 O ATOM 0 H SER A 240 21.361 -10.635 -17.747 1.00 13.10 H new ATOM 0 HA SER A 240 23.341 -12.348 -17.636 1.00 14.23 H new ATOM 0 HB2 SER A 240 23.793 -11.701 -15.601 1.00 14.41 H new ATOM 0 HB3 SER A 240 23.217 -10.428 -16.294 1.00 14.41 H new ATOM 0 HG SER A 240 21.257 -11.002 -15.258 1.00 12.06 H new ATOM 1599 N VAL A 241 20.791 -13.539 -16.005 1.00 16.06 N ATOM 1600 CA VAL A 241 19.994 -14.762 -15.735 1.00 16.55 C ATOM 1601 C VAL A 241 19.689 -15.661 -16.947 1.00 16.75 C ATOM 1602 O VAL A 241 19.734 -16.857 -16.820 1.00 17.86 O ATOM 1603 CB VAL A 241 18.626 -14.483 -15.051 1.00 14.69 C ATOM 1604 CG1 VAL A 241 17.785 -15.815 -14.925 1.00 17.04 C ATOM 1605 CG2 VAL A 241 18.766 -13.759 -13.738 1.00 15.11 C ATOM 0 H VAL A 241 20.470 -12.831 -15.637 1.00 16.06 H new ATOM 0 HA VAL A 241 20.601 -15.232 -15.142 1.00 16.55 H new ATOM 0 HB VAL A 241 18.132 -13.876 -15.624 1.00 14.69 H new ATOM 0 HG11 VAL A 241 16.936 -15.623 -14.497 1.00 17.04 H new ATOM 0 HG12 VAL A 241 17.625 -16.182 -15.809 1.00 17.04 H new ATOM 0 HG13 VAL A 241 18.277 -16.459 -14.392 1.00 17.04 H new ATOM 0 HG21 VAL A 241 17.887 -13.610 -13.355 1.00 15.11 H new ATOM 0 HG22 VAL A 241 19.298 -14.294 -13.128 1.00 15.11 H new ATOM 0 HG23 VAL A 241 19.203 -12.905 -13.884 1.00 15.11 H new ATOM 1606 N LEU A 242 19.303 -15.101 -18.100 1.00 17.59 N ATOM 1607 CA LEU A 242 19.120 -15.939 -19.295 1.00 18.81 C ATOM 1608 C LEU A 242 20.471 -16.508 -19.783 1.00 19.00 C ATOM 1609 O LEU A 242 20.513 -17.560 -20.438 1.00 21.81 O ATOM 1610 CB LEU A 242 18.343 -15.214 -20.428 1.00 18.10 C ATOM 1611 CG LEU A 242 16.804 -15.273 -20.507 1.00 18.83 C ATOM 1612 CD1 LEU A 242 16.122 -15.260 -19.099 1.00 15.89 C ATOM 1613 CD2 LEU A 242 16.170 -14.137 -21.411 1.00 15.81 C ATOM 0 H LEU A 242 19.146 -14.263 -18.211 1.00 17.59 H new ATOM 0 HA LEU A 242 18.561 -16.688 -19.034 1.00 18.81 H new ATOM 0 HB2 LEU A 242 18.588 -14.277 -20.385 1.00 18.10 H new ATOM 0 HB3 LEU A 242 18.683 -15.558 -21.269 1.00 18.10 H new ATOM 0 HG LEU A 242 16.623 -16.126 -20.932 1.00 18.83 H new ATOM 0 HD11 LEU A 242 15.159 -15.298 -19.205 1.00 15.89 H new ATOM 0 HD12 LEU A 242 16.421 -16.028 -18.587 1.00 15.89 H new ATOM 0 HD13 LEU A 242 16.363 -14.446 -18.630 1.00 15.89 H new ATOM 0 HD21 LEU A 242 15.205 -14.230 -21.418 1.00 15.81 H new ATOM 0 HD22 LEU A 242 16.408 -13.268 -21.053 1.00 15.81 H new ATOM 0 HD23 LEU A 242 16.509 -14.217 -22.316 1.00 15.81 H new ATOM 1614 N ALA A 243 21.557 -15.810 -19.445 1.00 20.58 N ATOM 1615 CA ALA A 243 22.947 -16.130 -19.875 1.00 20.38 C ATOM 1616 C ALA A 243 23.750 -17.117 -18.955 1.00 21.48 C ATOM 1617 O ALA A 243 24.798 -17.624 -19.363 1.00 21.34 O ATOM 1618 CB ALA A 243 23.753 -14.850 -20.122 1.00 20.30 C ATOM 0 H ALA A 243 21.516 -15.113 -18.943 1.00 20.58 H new ATOM 0 HA ALA A 243 22.826 -16.619 -20.704 1.00 20.38 H new ATOM 0 HB1 ALA A 243 24.653 -15.083 -20.400 1.00 20.30 H new ATOM 0 HB2 ALA A 243 23.325 -14.327 -20.818 1.00 20.30 H new ATOM 0 HB3 ALA A 243 23.792 -14.329 -19.305 1.00 20.30 H new ATOM 1619 N SER A 244 23.267 -17.404 -17.751 1.00 22.14 N ATOM 1620 CA SER A 244 24.010 -18.314 -16.827 1.00 22.75 C ATOM 1621 C SER A 244 23.426 -19.720 -16.960 1.00 22.73 C ATOM 1622 O SER A 244 23.984 -20.705 -16.421 1.00 21.70 O ATOM 1623 CB SER A 244 23.917 -17.835 -15.355 1.00 22.26 C ATOM 1624 OG SER A 244 22.640 -18.167 -14.778 1.00 25.60 O ATOM 0 H SER A 244 22.527 -17.098 -17.438 1.00 22.14 H new ATOM 0 HA SER A 244 24.949 -18.312 -17.071 1.00 22.75 H new ATOM 0 HB2 SER A 244 24.626 -18.244 -14.834 1.00 22.26 H new ATOM 0 HB3 SER A 244 24.053 -16.875 -15.315 1.00 22.26 H new ATOM 0 HG SER A 244 22.255 -17.464 -14.525 1.00 25.60 H new ATOM 1625 N ALA A 245 22.269 -19.768 -17.642 1.00 22.48 N ATOM 1626 CA ALA A 245 21.514 -20.979 -17.964 1.00 23.74 C ATOM 1627 C ALA A 245 22.266 -22.321 -17.883 1.00 24.42 C ATOM 1628 O ALA A 245 22.325 -23.071 -18.870 1.00 26.05 O ATOM 1629 CB ALA A 245 20.868 -20.822 -19.325 1.00 23.43 C ATOM 0 H ALA A 245 21.890 -19.056 -17.941 1.00 22.48 H new ATOM 0 HA ALA A 245 20.858 -21.047 -17.253 1.00 23.74 H new ATOM 0 HB1 ALA A 245 20.367 -21.624 -19.540 1.00 23.43 H new ATOM 0 HB2 ALA A 245 20.268 -20.060 -19.313 1.00 23.43 H new ATOM 0 HB3 ALA A 245 21.555 -20.681 -19.995 1.00 23.43 H new TER 1630 ALA A 245 HETATM 1631 C6 8S2 A 301 -5.612 -15.983 -6.265 1.00 11.30 C HETATM 1632 C7 8S2 A 301 -4.401 -15.338 -6.439 1.00 9.29 C HETATM 1633 C10 8S2 A 301 -4.137 -15.287 -4.003 1.00 12.33 C HETATM 1634 C20 8S2 A 301 -0.505 -13.130 -5.191 1.00 8.59 C HETATM 1635 C26 8S2 A 301 1.198 -13.086 -3.508 1.00 9.93 C HETATM 1636 C28 8S2 A 301 0.690 -13.998 -4.665 1.00 13.44 C HETATM 1637 F1 8S2 A 301 -6.601 -14.330 -8.283 1.00 16.43 F HETATM 1638 C2 8S2 A 301 -7.239 -15.449 -7.938 1.00 14.55 C HETATM 1639 F3 8S2 A 301 -8.078 -15.124 -6.913 1.00 12.04 F HETATM 1640 F4 8S2 A 301 -7.823 -16.016 -9.036 1.00 16.70 F HETATM 1641 O5 8S2 A 301 -6.302 -16.373 -7.419 1.00 13.68 O HETATM 1642 C9 8S2 A 301 -3.675 -14.997 -5.293 1.00 11.57 C HETATM 1643 C12 8S2 A 301 -5.371 -15.920 -3.852 1.00 15.61 C HETATM 1644 C14 8S2 A 301 -6.098 -16.263 -4.975 1.00 13.62 C HETATM 1645 N16 8S2 A 301 -2.450 -14.410 -5.483 1.00 9.92 N HETATM 1646 C18 8S2 A 301 -1.840 -13.536 -4.652 1.00 12.43 C HETATM 1647 O19 8S2 A 301 -2.302 -12.979 -3.675 1.00 10.92 O HETATM 1648 N22 8S2 A 301 -0.117 -11.775 -4.889 1.00 8.06 N HETATM 1649 C23 8S2 A 301 1.104 -11.653 -4.097 1.00 9.75 C HETATM 1650 N31 8S2 A 301 0.366 -13.346 -2.321 1.00 14.71 N HETATM 1651 C34 8S2 A 301 -0.884 -10.720 -5.380 1.00 7.10 C HETATM 1652 O35 8S2 A 301 -1.932 -11.008 -6.041 1.00 5.44 O HETATM 1653 N36 8S2 A 301 -0.535 -9.446 -5.192 1.00 3.45 N HETATM 1654 C38 8S2 A 301 -1.249 -8.318 -5.608 1.00 5.85 C HETATM 1655 C39 8S2 A 301 -1.011 -7.502 -6.674 1.00 5.16 C HETATM 1656 N41 8S2 A 301 -2.059 -6.518 -6.730 1.00 7.13 N HETATM 1657 C42 8S2 A 301 -2.968 -6.716 -5.684 1.00 4.24 C HETATM 1658 C43 8S2 A 301 -2.560 -7.834 -4.955 1.00 7.11 C HETATM 1659 C44 8S2 A 301 -3.294 -8.240 -3.829 1.00 5.39 C HETATM 1660 C46 8S2 A 301 -4.472 -7.540 -3.447 1.00 6.67 C HETATM 1661 C48 8S2 A 301 -4.896 -6.400 -4.177 1.00 6.98 C HETATM 1662 C50 8S2 A 301 -4.144 -5.964 -5.302 1.00 5.95 C HETATM 1663 C52 8S2 A 301 -2.153 -5.547 -7.664 1.00 3.79 C HETATM 1664 O53 8S2 A 301 -3.038 -4.661 -7.725 1.00 6.04 O HETATM 1665 N54 8S2 A 301 -1.115 -5.454 -8.557 1.00 6.52 N HETATM 1666 O HOH A 401 7.239 11.697 -10.950 1.00 23.03 O HETATM 1667 O HOH A 402 -14.167 -19.115 -23.954 1.00 23.84 O HETATM 1668 O HOH A 403 10.797 2.417 -6.568 1.00 26.15 O HETATM 1669 O HOH A 404 6.750 -23.575 1.977 1.00 29.79 O HETATM 1670 O HOH A 405 -6.474 -9.902 -0.512 1.00 21.82 O HETATM 1671 O HOH A 406 -13.906 -2.051 -11.750 1.00 13.10 O HETATM 1672 O HOH A 407 9.182 -23.629 1.445 1.00 26.31 O HETATM 1673 O HOH A 408 9.039 -14.647 -29.525 1.00 18.30 O HETATM 1674 O HOH A 409 18.005 -14.142 -6.807 1.00 19.57 O HETATM 1675 O HOH A 410 10.324 -13.612 -6.533 1.00 19.90 O HETATM 1676 O HOH A 411 20.267 -19.046 -15.879 1.00 25.25 O HETATM 1677 O HOH A 412 11.399 -1.482 -9.705 1.00 18.73 O HETATM 1678 O HOH A 413 6.344 -6.306 -11.038 1.00 8.73 O HETATM 1679 O HOH A 414 19.479 -2.761 -11.455 1.00 20.76 O HETATM 1680 O HOH A 415 9.248 -3.326 -9.414 1.00 6.99 O HETATM 1681 O HOH A 416 15.895 2.436 -15.856 1.00 18.68 O HETATM 1682 O HOH A 417 21.611 -16.805 -12.938 1.00 18.89 O HETATM 1683 O HOH A 418 24.044 -24.867 -18.511 1.00 23.56 O HETATM 1684 O HOH A 419 14.048 -15.431 -21.968 1.00 18.06 O HETATM 1685 O HOH A 420 -10.625 -20.685 -10.508 1.00 20.99 O HETATM 1686 O HOH A 421 5.134 -18.063 -32.265 1.00 23.36 O HETATM 1687 O HOH A 422 7.819 -30.385 -15.390 1.00 22.73 O HETATM 1688 O HOH A 423 -15.532 -16.829 -12.159 1.00 25.98 O HETATM 1689 O HOH A 424 -12.377 -8.385 -16.163 1.00 20.83 O HETATM 1690 O HOH A 425 -0.728 -12.526 -9.352 1.00 20.27 O HETATM 1691 O HOH A 426 1.809 -2.773 -2.292 1.00 18.79 O HETATM 1692 O HOH A 427 20.019 -3.356 -17.146 1.00 43.82 O HETATM 1693 O HOH A 428 13.518 -11.440 -25.214 1.00 24.42 O HETATM 1694 O HOH A 429 13.066 -6.460 -27.490 1.00 20.34 O HETATM 1695 O HOH A 430 -3.090 -30.698 -21.892 1.00 19.89 O HETATM 1696 O HOH A 431 8.236 -27.120 -9.293 1.00 13.17 O HETATM 1697 O HOH A 432 1.375 -30.225 -22.507 1.00 32.55 O HETATM 1698 O HOH A 433 8.902 -25.151 -4.988 1.00 27.00 O HETATM 1699 O HOH A 434 -11.172 -22.411 -12.569 1.00 15.09 O HETATM 1700 O HOH A 435 -2.111 -17.153 -30.922 1.00 23.46 O HETATM 1701 O HOH A 436 1.870 -27.108 -25.061 1.00 10.16 O HETATM 1702 O HOH A 437 -8.371 2.465 -15.957 1.00 12.91 O HETATM 1703 O HOH A 438 5.813 -31.388 -16.899 1.00 15.17 O HETATM 1704 O HOH A 439 8.270 1.228 -4.541 1.00 23.27 O HETATM 1705 O HOH A 440 14.682 -26.117 -28.277 0.50 19.18 O HETATM 1706 O HOH A 441 6.146 -0.485 -26.775 1.00 16.57 O HETATM 1707 O HOH A 442 11.618 -1.108 3.419 1.00 14.79 O HETATM 1708 O HOH A 443 -6.958 1.455 -7.662 1.00 7.73 O HETATM 1709 O HOH A 444 -0.566 -26.524 -10.536 1.00 15.04 O HETATM 1710 O HOH A 445 11.458 -12.811 -25.503 1.00 8.30 O HETATM 1711 O HOH A 446 -9.205 -23.333 -26.468 1.00 15.19 O HETATM 1712 O HOH A 447 13.436 -3.321 -2.237 1.00 20.70 O HETATM 1713 O HOH A 448 0.992 -20.035 -22.891 1.00 12.94 O HETATM 1714 O HOH A 449 4.237 -25.744 -23.921 1.00 19.59 O HETATM 1715 O HOH A 450 7.597 -23.181 -34.369 1.00 18.82 O HETATM 1716 O HOH A 451 1.269 10.684 -5.668 1.00 25.23 O HETATM 1717 O HOH A 452 -5.578 -14.397 -25.326 1.00 7.52 O HETATM 1718 O HOH A 453 -10.768 -14.756 -4.529 1.00 20.69 O HETATM 1719 O HOH A 454 9.066 -19.712 -1.632 1.00 17.20 O HETATM 1720 O HOH A 455 14.258 -18.934 -26.099 1.00 22.71 O HETATM 1721 O HOH A 456 -1.353 -11.530 -15.008 1.00 6.14 O HETATM 1722 O HOH A 457 -13.559 8.835 -13.302 1.00 18.63 O HETATM 1723 O HOH A 458 18.438 -0.919 -19.039 1.00 18.10 O HETATM 1724 O HOH A 459 -2.514 -2.157 -27.066 1.00 19.51 O HETATM 1725 O HOH A 460 10.087 1.233 -21.286 1.00 20.37 O HETATM 1726 O HOH A 461 10.729 -6.138 -3.654 1.00 6.10 O HETATM 1727 O HOH A 462 18.287 0.519 -14.915 1.00 20.99 O HETATM 1728 O HOH A 463 17.295 -4.120 -1.580 1.00 18.95 O HETATM 1729 O HOH A 464 0.745 -27.594 0.159 0.50 11.73 O HETATM 1730 O HOH A 465 23.859 -23.398 -16.014 1.00 22.28 O HETATM 1731 O HOH A 466 14.814 -28.901 -22.101 1.00 23.36 O HETATM 1732 O HOH A 467 18.836 1.249 -17.826 1.00 18.88 O HETATM 1733 O HOH A 468 -11.690 -17.921 -27.578 1.00 11.34 O HETATM 1734 O HOH A 469 3.751 5.771 -16.171 1.00 13.02 O HETATM 1735 O HOH A 470 -11.877 0.707 -5.756 1.00 19.44 O HETATM 1736 O HOH A 471 17.276 -26.472 -21.989 1.00 24.25 O HETATM 1737 O HOH A 472 6.112 -9.517 -30.417 1.00 29.89 O HETATM 1738 O HOH A 473 1.670 -3.380 -6.000 1.00 8.84 O HETATM 1739 O HOH A 474 9.542 2.037 -24.554 1.00 20.36 O HETATM 1740 O HOH A 475 -3.869 0.196 -13.940 1.00 7.33 O HETATM 1741 O HOH A 476 -0.402 4.147 -7.876 1.00 23.90 O HETATM 1742 O HOH A 477 19.240 -5.147 -11.869 1.00 12.36 O HETATM 1743 O HOH A 478 14.803 -14.928 -24.869 1.00 12.14 O HETATM 1744 O HOH A 479 -8.751 -17.527 -11.493 1.00 4.74 O HETATM 1745 O HOH A 480 5.835 4.933 -26.728 1.00 27.28 O HETATM 1746 O HOH A 481 13.138 -9.310 -26.483 1.00 13.42 O HETATM 1747 O HOH A 482 17.127 1.196 -8.561 1.00 20.34 O HETATM 1748 O HOH A 483 8.151 6.428 -26.230 1.00 21.35 O HETATM 1749 O HOH A 484 8.376 -26.988 -0.926 1.00 22.29 O HETATM 1750 O HOH A 485 -12.825 -2.924 -21.037 1.00 17.38 O HETATM 1751 O HOH A 486 10.043 0.966 -1.032 1.00 17.54 O HETATM 1752 O HOH A 487 -4.898 -24.469 -13.566 1.00 16.58 O HETATM 1753 O HOH A 488 -5.401 -27.888 -15.913 1.00 20.78 O HETATM 1754 O HOH A 489 10.143 -1.417 -20.044 1.00 6.12 O HETATM 1755 O HOH A 490 19.784 -5.077 -14.515 1.00 17.55 O HETATM 1756 O HOH A 491 -8.232 -19.575 -9.831 1.00 14.67 O HETATM 1757 O HOH A 492 13.787 -3.908 -27.162 1.00 8.55 O HETATM 1758 O HOH A 493 -8.865 -11.642 -14.675 1.00 5.52 O HETATM 1759 O HOH A 494 -0.942 11.092 -17.843 1.00 14.19 O HETATM 1760 O HOH A 495 0.811 -24.528 -29.372 1.00 9.90 O HETATM 1761 O HOH A 496 -14.812 -17.131 -7.420 1.00 16.35 O HETATM 1762 O HOH A 497 -0.975 -20.639 -19.937 1.00 5.13 O HETATM 1763 O HOH A 498 -2.241 -7.321 -26.913 1.00 22.49 O HETATM 1764 O HOH A 499 2.806 -25.900 -27.490 1.00 8.94 O HETATM 1765 O HOH A 500 -2.755 -13.754 -13.869 1.00 4.08 O HETATM 1766 O HOH A 501 15.444 -7.723 -24.880 1.00 20.59 O HETATM 1767 O HOH A 502 -14.381 -8.485 -25.720 1.00 19.21 O HETATM 1768 O HOH A 503 -3.735 -16.494 -24.558 1.00 4.67 O HETATM 1769 O HOH A 504 -2.312 -20.378 -24.973 1.00 4.02 O HETATM 1770 O HOH A 505 -13.757 -23.251 -21.722 1.00 17.92 O HETATM 1771 O HOH A 506 -12.985 -2.128 -15.860 1.00 25.11 O HETATM 1772 O HOH A 507 -12.275 5.625 -9.921 1.00 11.53 O HETATM 1773 O HOH A 508 -5.872 -17.927 -23.666 1.00 7.63 O HETATM 1774 O HOH A 509 -11.879 7.826 -6.233 1.00 20.69 O HETATM 1775 O HOH A 510 15.708 -20.844 -22.436 1.00 15.93 O HETATM 1776 O HOH A 511 0.301 -0.127 -27.572 1.00 18.84 O HETATM 1777 O HOH A 512 -2.744 -18.040 -20.392 1.00 18.86 O HETATM 1778 O HOH A 513 -2.057 -18.505 -22.805 1.00 5.98 O HETATM 1779 O HOH A 514 -8.920 2.092 -20.604 1.00 14.29 O HETATM 1780 O HOH A 515 -6.222 6.288 -13.259 1.00 12.31 O HETATM 1781 O HOH A 516 22.331 -6.180 -7.117 1.00 25.02 O HETATM 1782 O HOH A 517 -1.025 -3.011 -10.435 1.00 8.90 O HETATM 1783 O HOH A 518 -3.023 -26.571 -13.514 1.00 19.10 O HETATM 1784 O HOH A 519 19.515 -1.998 -21.777 1.00 15.43 O HETATM 1785 O HOH A 520 -13.761 -27.342 -16.370 1.00 20.14 O HETATM 1786 O HOH A 521 11.703 0.646 -8.058 1.00 19.92 O HETATM 1787 O HOH A 522 15.759 -12.540 -24.179 1.00 18.02 O HETATM 1788 O HOH A 523 22.052 -22.973 -14.179 1.00 12.73 O HETATM 1789 O HOH A 524 -1.563 -21.203 -3.944 1.00 21.83 O HETATM 1790 O HOH A 525 -13.268 -5.299 -26.935 1.00 16.66 O HETATM 1791 O HOH A 526 -6.763 -19.512 -7.510 1.00 11.95 O HETATM 1792 O HOH A 527 10.956 -13.738 -3.669 1.00 16.07 O HETATM 1793 O HOH A 528 -0.524 -31.929 -20.633 1.00 16.70 O HETATM 1794 O HOH A 529 7.663 0.082 -2.259 1.00 8.10 O HETATM 1795 O HOH A 530 -10.246 -3.850 -22.851 1.00 7.89 O HETATM 1796 O HOH A 531 -18.864 -6.623 -26.770 1.00 24.30 O HETATM 1797 O HOH A 532 0.055 14.021 -8.384 1.00 23.17 O HETATM 1798 O HOH A 533 7.361 3.203 -19.416 1.00 16.86 O HETATM 1799 O HOH A 534 -9.979 3.570 -1.965 1.00 20.96 O HETATM 1800 O HOH A 535 -3.671 1.287 -2.444 1.00 17.05 O HETATM 1801 O HOH A 536 8.869 -20.348 -18.931 1.00 25.12 O HETATM 1802 O HOH A 537 -2.338 14.522 -13.861 1.00 19.54 O HETATM 1803 O HOH A 538 -13.142 -16.839 -25.598 1.00 20.25 O HETATM 1804 O HOH A 539 4.286 -16.182 -29.199 1.00 17.90 O HETATM 1805 O HOH A 540 18.719 2.325 -22.930 1.00 19.51 O HETATM 1806 O HOH A 541 -6.976 -21.978 -9.786 1.00 10.72 O HETATM 1807 O HOH A 542 7.747 -20.378 -34.513 1.00 29.79 O HETATM 1808 O HOH A 543 -14.697 -0.808 -9.436 1.00 23.95 O HETATM 1809 O HOH A 544 20.476 -3.877 -24.239 1.00 16.68 O HETATM 1810 O HOH A 545 -16.800 -5.334 -8.524 1.00 21.53 O HETATM 1811 O HOH A 546 5.029 -6.593 -1.068 1.00 20.61 O HETATM 1812 O HOH A 547 19.517 -1.535 -25.085 1.00 19.66 O HETATM 1813 O HOH A 548 -14.049 -16.752 -16.878 1.00 19.93 O HETATM 1814 O HOH A 549 -8.581 13.995 -8.028 1.00 23.47 O HETATM 1815 O HOH A 550 -2.233 10.048 -15.155 1.00 32.62 O HETATM 1816 O HOH A 551 19.463 -25.732 -14.424 1.00 22.82 O HETATM 1817 O HOH A 552 -13.696 -4.611 -22.879 1.00 24.96 O HETATM 1818 O HOH A 553 18.451 -19.234 -8.162 1.00 26.47 O HETATM 1819 O HOH A 554 24.133 -11.101 -20.007 1.00 20.77 O HETATM 1820 O HOH A 555 7.940 1.771 -26.909 1.00 23.69 O HETATM 1821 O HOH A 556 -16.445 -11.521 -21.446 1.00 20.99 O HETATM 1822 O HOH A 557 -8.672 -18.425 -3.504 1.00 19.25 O HETATM 1823 O HOH A 558 5.585 -22.172 -1.986 1.00 28.43 O HETATM 1824 O HOH A 559 -10.438 -30.291 -25.739 1.00 18.22 O HETATM 1825 O HOH A 560 -16.877 -13.971 -23.637 1.00 18.04 O HETATM 1826 O HOH A 561 4.004 -14.097 -28.131 1.00 18.40 O HETATM 1827 O HOH A 562 -5.826 -28.348 -28.424 1.00 20.33 O HETATM 1828 O HOH A 563 -2.146 9.574 -8.530 1.00 22.20 O HETATM 1829 O HOH A 564 -17.070 -8.833 -21.449 1.00 21.41 O HETATM 1830 O HOH A 565 0.223 8.279 -6.143 1.00 24.45 O HETATM 1831 O HOH A 566 -3.367 -33.203 -25.715 1.00 57.27 O HETATM 1832 O HOH A 567 -14.858 -4.822 -10.486 1.00 18.99 O HETATM 1833 O HOH A 568 8.121 -29.363 -4.872 1.00 25.74 O HETATM 1834 O HOH A 569 1.674 -0.931 -4.377 1.00 19.45 O HETATM 1835 O HOH A 570 13.393 3.568 -5.545 1.00 20.78 O HETATM 1836 O HOH A 571 17.430 -18.843 -22.735 1.00 14.96 O HETATM 1837 O HOH A 572 2.059 -29.746 -25.471 1.00 22.97 O HETATM 1838 O HOH A 573 -0.636 1.044 -3.667 1.00 21.67 O HETATM 1839 O HOH A 574 -2.045 -29.076 -10.706 1.00 21.64 O HETATM 1840 O HOH A 575 -11.466 5.207 -0.508 1.00 20.98 O HETATM 1841 O HOH A 576 6.440 5.955 -6.986 1.00 27.29 O HETATM 1842 O HOH A 577 11.638 -15.748 -2.021 1.00 20.86 O HETATM 1843 O HOH A 578 4.202 1.795 -27.330 1.00 19.44 O HETATM 1844 O HOH A 579 2.562 8.478 -4.674 1.00 22.96 O HETATM 1845 O HOH A 580 -13.105 8.277 -3.539 1.00 18.75 O HETATM 1846 O HOH A 581 11.059 0.775 1.500 1.00 8.05 O HETATM 1847 O HOH A 582 11.851 -19.149 -1.676 1.00 21.75 O HETATM 1848 O HOH A 583 10.326 -28.951 -1.374 1.00 14.82 O HETATM 1849 O HOH A 584 -3.906 14.382 -11.941 1.00 19.94 O HETATM 1850 O HOH A 585 -14.153 7.190 -0.839 1.00 21.19 O CONECT 197 311 CONECT 311 197 CONECT 910 1335 CONECT 1153 1203 CONECT 1203 1153 CONECT 1272 1432 CONECT 1335 910 CONECT 1432 1272 CONECT 1631 1632 1641 1644 CONECT 1632 1631 1642 CONECT 1633 1642 1643 CONECT 1634 1636 1646 1648 CONECT 1635 1636 1649 1650 CONECT 1636 1634 1635 CONECT 1637 1638 CONECT 1638 1637 1639 1640 1641 CONECT 1639 1638 CONECT 1640 1638 CONECT 1641 1631 1638 CONECT 1642 1632 1633 1645 CONECT 1643 1633 1644 CONECT 1644 1631 1643 CONECT 1645 1642 1646 CONECT 1646 1634 1645 1647 CONECT 1647 1646 CONECT 1648 1634 1649 1651 CONECT 1649 1635 1648 CONECT 1650 1635 CONECT 1651 1648 1652 1653 CONECT 1652 1651 CONECT 1653 1651 1654 CONECT 1654 1653 1655 1658 CONECT 1655 1654 1656 CONECT 1656 1655 1657 1663 CONECT 1657 1656 1658 1662 CONECT 1658 1654 1657 1659 CONECT 1659 1658 1660 CONECT 1660 1659 1661 CONECT 1661 1660 1662 CONECT 1662 1657 1661 CONECT 1663 1656 1664 1665 CONECT 1664 1663 CONECT 1665 1663 END