USER MOD reduce.3.24.130724 H: found=0, std=0, add=1680, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 2122 hydrogens (468 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2J TITLE RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF TITLE 2 SERINE PROTEASES COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.21.4; COMPND 5 OTHER_DETAILS: COMPLEXED WITH BIS(5-AMIDINO-2- COMPND 6 BENZIMIDAZOLYL)METHANE KETONE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS ZN(II)-MEDIATED SERINE PROTEASE INHIBITORS, PH DEPENDENCE, KEYWDS 2 ZN(II) AFFINITY STUCTURE-BASED DRUG DESIGN, SERINE KEYWDS 3 PROTEASE/INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.A.KATZ,C.LUONG REVDAT 4 02-MAR-10 1C2J 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2J 1 VERSN REVDAT 2 26-SEP-01 1C2J 3 ATOM REVDAT 1 26-JUL-00 1C2J 0 JRNL AUTH B.A.KATZ,J.M.CLARK,J.S.FINER-MOORE,T.E.JENKINS, JRNL AUTH 2 C.R.JOHNSON,M.J.ROSS,C.LUONG,W.R.MOORE,R.M.STROUD JRNL TITL DESIGN OF POTENT SELECTIVE ZINC-MEDIATED SERINE JRNL TITL 2 PROTEASE INHIBITORS. JRNL REF NATURE V. 391 608 1998 JRNL REFN ISSN 0028-0836 JRNL PMID 9468142 JRNL DOI 10.1038/35422 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 72.0 REMARK 3 NUMBER OF REFLECTIONS : 27588 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : X-PLOR REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.189 REMARK 3 FREE R VALUE : 0.219 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2749 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.46 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 32.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1373 REMARK 3 BIN R VALUE (WORKING SET) : 0.4380 REMARK 3 BIN FREE R VALUE : 0.4440 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 163 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3317 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 70 REMARK 3 SOLVENT ATOMS : 669 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 COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.018 REMARK 3 BOND ANGLES (DEGREES) : 4.00 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.61 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARMALLH3X_KBZNG706.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZNG706.PRO REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT TERMS INCLUDED IN FOB REMARK 3 FILE CREATED WITH STANDARD X-PLOR SCRIPT. REMARK 4 REMARK 4 1C2J COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB001256. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-MAR-98 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 7.06 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MSC MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : BIOTEX (MSC) REMARK 200 DATA SCALING SOFTWARE : BIOTEX REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28909 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.330 REMARK 200 RESOLUTION RANGE LOW (A) : 35.930 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 72.0 REMARK 200 DATA REDUNDANCY : 2.500 REMARK 200 R MERGE (I) : 0.09900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.46 REMARK 200 COMPLETENESS FOR SHELL (%) : 34.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.32800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER PLUS REMARK 200 REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR, QUANTA, INSIGHTII REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 REMARK 280 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO: CRYSTALLIZATION SOLUTION REMARK 280 WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED TO REMARK 280 SYNTHETIC MOTHER LIQUOR CONTAINING 100 NM ZN(II), PH 7.06 AND REMARK 280 SOAKED FOR SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING REMARK 280 SOLUTIONS. THE SOLUTION WAS SATURATED IN KETO-BABIM AND REMARK 280 CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR SOLUBILITY. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 36.51667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 73.03333 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 73.03333 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 36.51667 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 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 400 REMARK 400 COMPOUND REMARK 400 HIS91 IS MONOPROTONATED ON THE EPSILON NITROGEN. REMARK 400 HIS57 IS MONOPROTONATED ON THE DELTA NITROGEN. REMARK 400 HIS40 IS EITHER PROTONATED ON THE EPSILON NITROGEN REMARK 400 OR DIPROTONATED. 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 HH TYR A 39 HZ3 LYS A 60 1.34 REMARK 500 HH12 ARG A 66 H2 HOH A 268 1.39 REMARK 500 HD22 ASN A 48 H GLN A 50 1.50 REMARK 500 O GLY A 18 H2 HOH A 1235 1.50 REMARK 500 O VAL A 200 H1 HOH A 1025 1.51 REMARK 500 O GLN A 175 H1 HOH A 282 1.54 REMARK 500 O GLY A 216 H1 HOH A 379 1.54 REMARK 500 O THR A 26 H1 HOH A 659 1.60 REMARK 500 OH TYR A 29 H1 HOH A 280 1.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OG1 THR A 134 H2 HOH A 351 4546 1.57 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 TRP A 51 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -7.3 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 9.2 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 7.8 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 VAL A 199 N - CA - C ANGL. DEV. = -17.6 DEGREES REMARK 500 TRP A 215 CG - CD1 - NE1 ANGL. DEV. = -6.0 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.6 DEGREES REMARK 500 TYR A 228 CB - CG - CD1 ANGL. DEV. = -3.7 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -6.7 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 8.3 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 8.9 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 71 -79.41 -137.92 REMARK 500 SER A 147 68.45 -111.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 66 0.14 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 349 DISTANCE = 5.69 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 12.99 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.51 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.73 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 12.79 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 11.84 ANGSTROMS REMARK 525 HOH A 407 DISTANCE = 7.22 ANGSTROMS REMARK 525 HOH A 530 DISTANCE = 6.83 ANGSTROMS REMARK 525 HOH A 536 DISTANCE = 5.21 ANGSTROMS REMARK 525 HOH A 662 DISTANCE = 5.17 ANGSTROMS REMARK 525 HOH A 684 DISTANCE = 9.17 ANGSTROMS REMARK 525 HOH A 806 DISTANCE = 5.80 ANGSTROMS REMARK 525 HOH A 814 DISTANCE = 5.31 ANGSTROMS REMARK 525 HOH A 885 DISTANCE = 8.58 ANGSTROMS REMARK 525 HOH A 906 DISTANCE = 11.49 ANGSTROMS REMARK 525 HOH A 907 DISTANCE = 6.72 ANGSTROMS REMARK 525 HOH A 925 DISTANCE = 7.65 ANGSTROMS REMARK 525 HOH A 941 DISTANCE = 11.86 ANGSTROMS REMARK 525 HOH A 958 DISTANCE = 8.44 ANGSTROMS REMARK 525 HOH A 967 DISTANCE = 10.76 ANGSTROMS REMARK 525 HOH A1105 DISTANCE = 6.91 ANGSTROMS REMARK 525 HOH A1162 DISTANCE = 7.09 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 247 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE1 REMARK 620 2 ASN A 72 O 89.2 REMARK 620 3 GLU A 80 OE2 89.2 163.3 REMARK 620 4 HOH A 309 O 83.9 89.8 73.5 REMARK 620 5 HOH A 271 O 82.1 104.9 91.3 159.4 REMARK 620 6 VAL A 75 O 171.5 93.7 90.2 104.1 89.4 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 263 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 139 O REMARK 620 2 ASP A 194 O 114.1 REMARK 620 3 HOH A 250 O 117.7 94.8 REMARK 620 4 GLN A 30 OE1 89.6 150.7 88.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 409 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 195 OG REMARK 620 2 BAK A 246 N3 111.4 REMARK 620 3 HIS A 57 NE2 109.6 126.3 REMARK 620 4 BAK A 246 N3' 122.7 71.5 111.8 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 263 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 339 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BAK A 246 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RELATED ID: 1C2F RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RELATED ID: 1C2M RELATED DB: PDB REMARK 900 RELATED ID: 1C1N RELATED DB: PDB REMARK 900 RELATED ID: 1C1O RELATED DB: PDB REMARK 900 RELATED ID: 1C1P RELATED DB: PDB REMARK 900 RELATED ID: 1C1Q RELATED DB: PDB REMARK 900 RELATED ID: 1C1R RELATED DB: PDB REMARK 900 RELATED ID: 1C1S RELATED DB: PDB REMARK 900 RELATED ID: 1C1T RELATED DB: PDB REMARK 900 RELATED ID: 1C1U RELATED DB: PDB REMARK 900 RELATED ID: 1C1V RELATED DB: PDB REMARK 900 RELATED ID: 1C1W RELATED DB: PDB REMARK 900 RELATED ID: 1C2E RELATED DB: PDB DBREF 1C2J A 16 245 UNP P00760 TRY1_BOVIN 21 243 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 247 1 HET MG A 263 1 HET SO4 A 339 5 HET ZN A 409 1 HET BAK A 246 62 HETNAM CA CALCIUM ION HETNAM MG MAGNESIUM ION HETNAM SO4 SULFATE ION HETNAM ZN ZINC ION HETNAM BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE FORMUL 2 CA CA 2+ FORMUL 3 MG MG 2+ FORMUL 4 SO4 O4 S 2- FORMUL 5 ZN ZN 2+ FORMUL 6 BAK C17 H16 N8 O 2+ FORMUL 7 HOH *223(H2 O) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 TYR A 234 SER A 244 1 11 SHEET 1 A 7 TYR A 20 THR A 21 0 SHEET 2 A 7 LYS A 156 PRO A 161 -1 N CYS A 157 O TYR A 20 SHEET 3 A 7 GLN A 135 GLY A 140 -1 N CYS A 136 O ALA A 160 SHEET 4 A 7 PRO A 198 CYS A 201 -1 O PRO A 198 N SER A 139 SHEET 5 A 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 B 7 GLN A 30 ASN A 34 -1 N VAL A 31 O GLY A 44 SHEET 4 B 7 GLN A 64 LEU A 67 -1 O GLN A 64 N ASN A 34 SHEET 5 B 7 GLN A 81 VAL A 90 -1 O GLN A 81 N LEU A 67 SHEET 6 B 7 MET A 104 LEU A 108 -1 O LEU A 105 N ILE A 89 SHEET 7 B 7 TRP A 51 SER A 54 -1 N VAL A 52 O ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 1.98 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.02 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.02 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.02 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.05 SSBOND *** CYS A 191 CYS A 220 1555 1555 1.99 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.37 LINK CA CA A 247 O ASN A 72 1555 1555 2.21 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.39 LINK CA CA A 247 O HOH A 309 1555 1555 2.35 LINK CA CA A 247 O HOH A 271 1555 1555 2.31 LINK CA CA A 247 O VAL A 75 1555 1555 2.15 LINK MG MG A 263 O SER A 139 1555 1555 2.66 LINK MG MG A 263 O ASP A 194 1555 1555 2.91 LINK MG MG A 263 O HOH A 250 1555 1555 3.04 LINK MG MG A 263 OE1 GLN A 30 1555 1555 3.11 LINK ZN ZN A 409 OG SER A 195 1555 1555 2.27 LINK ZN ZN A 409 N3 BAK A 246 1555 1555 2.38 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.40 LINK ZN ZN A 409 N3'BBAK A 246 1555 1555 2.36 SITE *** AC1 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE *** AC1 6 HOH A 271 HOH A 309 SITE *** AC2 6 GLN A 30 SER A 139 GLY A 140 ASP A 194 SITE *** AC2 6 GLY A 197 HOH A 250 SITE *** AC3 6 LYS A 107 THR A 149 HOH A 338 HOH A 436 SITE *** AC3 6 HOH A 463 HOH A1008 SITE *** AC4 3 HIS A 57 SER A 195 BAK A 246 SITE *** AC5 18 CYS A 42 HIS A 57 CYS A 58 ASP A 189 SITE *** AC5 18 SER A 190 TRP A 215 GLY A 216 GLY A 219 SITE *** AC5 18 GLY A 226 HOH A 320 HOH A 325 HOH A 362 SITE *** AC5 18 HOH A 378 ZN A 409 HOH A 524 HOH A 565 SITE *** AC5 18 HOH A 567 HOH A 827 CRYST1 54.960 54.960 109.550 90.00 90.00 120.00 P 31 2 1 6 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 0.018195 0.010505 0.000000 0.00000 SCALE2 0.000000 0.021010 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009128 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 190 SER OG : rot -111:sc= 1.06 USER MOD Set 1.2: A 228 TYR OH : rot -30:sc= 1.95 USER MOD Set 2.1: A 164 SER OG : rot 119:sc= 1.09 USER MOD Set 2.2: A 166 SER OG A: rot 180:sc= 0.0786 USER MOD Set 2.3: A 166 SER OG B: rot 180:sc= 0 USER MOD Set 2.4: A 167 SER OG : rot -92:sc= 1.17 USER MOD Set 3.1: A 20 TYR OH : rot 15:sc= 0.464 USER MOD Set 3.2: A 159 LYS NZ :NH3+ 173:sc= 0.769 (180deg=0) USER MOD Set 4.1: A 144 THR OG1 : rot -70:sc= -0.0905 USER MOD Set 4.2: A 145 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0631) USER MOD Set 5.1: A 30 GLN : amide:sc= -1.5 K(o=-2.4,f=2.8) USER MOD Set 5.2: A 139 SER OG : rot -100:sc= -0.901 USER MOD Set 6.1: A 101 ASN : amide:sc= 1.27 K(o=0.36,f=-0.63) USER MOD Set 6.2: A 234 TYR OH : rot 2:sc= -0.916 USER MOD Set 7.1: A 100 ASN : amide:sc= 0.605 K(o=2.1,f=-2.6!) USER MOD Set 7.2: A 177 THR OG1 : rot -179:sc= 0.713 USER MOD Set 7.3: A 179 ASN : amide:sc= 0.392 K(o=2.1,f=0.29) USER MOD Set 7.4: A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.5: A 233 ASN : amide:sc= 0.389 K(o=2.1,f=0.29!) USER MOD Set 8.1: A 87 LYS NZ A:NH3+ -151:sc= 0.643 (180deg=0) USER MOD Set 8.2: A 87 LYS NZ B:NH3+ 142:sc= 0.229 (180deg=0) USER MOD Set 8.3: A 245 ASN : amide:sc= 2.3 K(o=3.2,f=-5.8!) USER MOD Set 9.1: A 37 SER OG : rot -90:sc= 0.167 USER MOD Set 9.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 9.3: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.1: A 32 SER OG : rot 77:sc= 2.47 USER MOD Set10.2: A 40 HIS : no HD1:sc= 1.43 K(o=3.9,f=-5.7!) USER MOD Set11.1: A 21 THR OG1 : rot 180:sc= 0.727 USER MOD Set11.2: A 156 LYS NZ :NH3+ -167:sc= 0.81 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 1.3 X(o=1.3,f=1.6) USER MOD Single : A 26 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 29 TYR OH : rot 18:sc= 1.32 USER MOD Single : A 34 ASN : amide:sc= 1.81 K(o=1.8,f=-2.7!) USER MOD Single : A 45 SER OG : rot 97:sc= -1.27! USER MOD Single : A 48 ASN : amide:sc= -9.48! K(o=-9.5!,f=-0.25) USER MOD Single : A 49 SER OG : rot -86:sc= 0.432 USER MOD Single : A 50 GLN A: amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 50 GLN B: amide:sc= -0.773! K(o=-0.77!,f=0.79) USER MOD Single : A 54 SER OG : rot 98:sc= 0.665 USER MOD Single : A 57 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.308 K(o=-0.31,f=-7.4!) USER MOD Single : A 72 ASN : amide:sc= 0.15 K(o=0.15,f=-7.7!) USER MOD Single : A 74 ASN : amide:sc= 1.12 K(o=1.1,f=-1.3!) USER MOD Single : A 79 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= 0.127 K(o=0.13,f=-3.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG A: rot 180:sc= 0 USER MOD Single : A 88 SER OG B: rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0.711 K(o=0.71,f=-4.4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -1:sc= 0.429 USER MOD Single : A 95 ASN : amide:sc= -0.249 K(o=-0.25,f=-9.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.02) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 MET CE A:methyl -128:sc= -0.0869 (180deg=-0.722) USER MOD Single : A 104 MET CE B:methyl -140:sc= -1.28 (180deg=-3.18) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.1) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.135 K(o=0.14,f=-8.9!) USER MOD Single : A 116 SER OG : rot 109:sc= 0.872 USER MOD Single : A 120 SER OG : rot -95:sc= 0.0248 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 91:sc= 0.991 USER MOD Single : A 135 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.3) USER MOD Single : A 143 ASN : amide:sc= 0.716 K(o=0.72,f=-6.3!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.0181 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ -178:sc= 0.47 (180deg=0.467) USER MOD Single : A 170 SER OG A: rot -92:sc= 0.823 USER MOD Single : A 170 SER OG B: rot 89:sc= 0.905 USER MOD Single : A 172 TYR OH : rot 12:sc= 0.981 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 SER OG : rot -101:sc= 0.0193 USER MOD Single : A 184 TYR OH : rot -8:sc= 1.04 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.03) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.328) USER MOD Single : A 210 GLN : amide:sc= 1.34 X(o=1.3,f=1.8) USER MOD Single : A 214 SER OG : rot 72:sc= 2.26 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= -0.57 K(o=-0.57,f=0) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 224 LYS NZ A:NH3+ -170:sc= 0.368 (180deg=0.329) USER MOD Single : A 224 LYS NZ B:NH3+ -168:sc= 0.214 (180deg=0.178) USER MOD Single : A 229 THR OG1 : rot -169:sc= 0.611 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc= 0.0207 USER MOD Single : A 236 SER OG B: rot 72:sc= 0.74 USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 241 THR OG1 : rot 88:sc= 0.548 USER MOD Single : A 244 SER OG : rot 91:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.788 15.825 48.355 1.00 13.36 N ATOM 2 CA ILE A 16 51.687 14.592 49.204 1.00 14.71 C ATOM 3 C ILE A 16 52.961 14.614 50.042 1.00 16.93 C ATOM 4 O ILE A 16 54.034 14.699 49.480 1.00 16.10 O ATOM 5 CB ILE A 16 51.710 13.289 48.374 1.00 14.47 C ATOM 6 CG1 ILE A 16 50.518 13.168 47.330 1.00 14.42 C ATOM 7 CG2 ILE A 16 51.739 12.023 49.330 1.00 14.73 C ATOM 8 CD1 ILE A 16 49.164 12.824 48.044 1.00 14.67 C ATOM 0 HA ILE A 16 50.856 14.598 49.705 1.00 14.71 H new ATOM 0 HB ILE A 16 52.524 13.322 47.848 1.00 14.47 H new ATOM 0 HG12 ILE A 16 50.426 14.002 46.843 1.00 14.42 H new ATOM 0 HG13 ILE A 16 50.725 12.481 46.678 1.00 14.42 H new ATOM 0 HG21 ILE A 16 51.753 11.214 48.795 1.00 14.73 H new ATOM 0 HG22 ILE A 16 52.532 12.056 49.887 1.00 14.73 H new ATOM 0 HG23 ILE A 16 50.949 12.024 49.893 1.00 14.73 H new ATOM 0 HD11 ILE A 16 48.457 12.757 47.383 1.00 14.67 H new ATOM 0 HD12 ILE A 16 49.250 11.979 48.512 1.00 14.67 H new ATOM 0 HD13 ILE A 16 48.946 13.524 48.680 1.00 14.67 H new ATOM 22 N VAL A 17 52.803 14.522 51.319 1.00 16.25 N ATOM 23 CA VAL A 17 53.951 14.542 52.241 1.00 18.85 C ATOM 24 C VAL A 17 54.085 13.142 52.832 1.00 18.93 C ATOM 25 O VAL A 17 53.094 12.564 53.241 1.00 19.41 O ATOM 26 CB VAL A 17 53.677 15.546 53.354 1.00 17.21 C ATOM 27 CG1 VAL A 17 54.914 15.717 54.262 1.00 18.20 C ATOM 28 CG2 VAL A 17 53.203 16.879 52.778 1.00 19.10 C ATOM 0 H VAL A 17 52.038 14.445 51.705 1.00 16.25 H new ATOM 0 HA VAL A 17 54.766 14.797 51.781 1.00 18.85 H new ATOM 0 HB VAL A 17 52.961 15.199 53.909 1.00 17.21 H new ATOM 0 HG11 VAL A 17 54.716 16.359 54.961 1.00 18.20 H new ATOM 0 HG12 VAL A 17 55.142 14.864 54.663 1.00 18.20 H new ATOM 0 HG13 VAL A 17 55.662 16.036 53.733 1.00 18.20 H new ATOM 0 HG21 VAL A 17 53.034 17.503 53.501 1.00 19.10 H new ATOM 0 HG22 VAL A 17 53.887 17.240 52.193 1.00 19.10 H new ATOM 0 HG23 VAL A 17 52.386 16.742 52.273 1.00 19.10 H new ATOM 38 N GLY A 18 55.305 12.682 52.839 1.00 20.37 N ATOM 39 CA GLY A 18 55.715 11.342 53.372 1.00 21.03 C ATOM 40 C GLY A 18 55.261 10.230 52.496 1.00 21.18 C ATOM 41 O GLY A 18 55.096 9.129 52.975 1.00 22.89 O ATOM 0 H GLY A 18 55.967 13.134 52.529 1.00 20.37 H new ATOM 0 HA2 GLY A 18 56.681 11.311 53.458 1.00 21.03 H new ATOM 0 HA3 GLY A 18 55.347 11.223 54.262 1.00 21.03 H new ATOM 45 N GLY A 19 55.096 10.512 51.235 1.00 21.82 N ATOM 46 CA GLY A 19 54.623 9.455 50.291 1.00 21.37 C ATOM 47 C GLY A 19 55.758 8.930 49.429 1.00 20.31 C ATOM 48 O GLY A 19 56.907 9.169 49.771 1.00 21.68 O ATOM 0 H GLY A 19 55.240 11.282 50.881 1.00 21.82 H new ATOM 0 HA2 GLY A 19 54.231 8.723 50.793 1.00 21.37 H new ATOM 0 HA3 GLY A 19 53.924 9.816 49.723 1.00 21.37 H new ATOM 52 N TYR A 20 55.413 8.246 48.368 1.00 19.44 N ATOM 53 CA TYR A 20 56.441 7.686 47.457 1.00 19.52 C ATOM 54 C TYR A 20 56.083 7.964 46.020 1.00 18.52 C ATOM 55 O TYR A 20 54.955 8.308 45.748 1.00 19.00 O ATOM 56 CB TYR A 20 56.532 6.162 47.717 1.00 19.72 C ATOM 57 CG TYR A 20 55.191 5.449 47.464 1.00 19.43 C ATOM 58 CD1 TYR A 20 54.919 4.904 46.223 1.00 21.08 C ATOM 59 CD2 TYR A 20 54.226 5.342 48.455 1.00 21.08 C ATOM 60 CE1 TYR A 20 53.714 4.272 45.982 1.00 21.05 C ATOM 61 CE2 TYR A 20 53.023 4.707 48.207 1.00 21.64 C ATOM 62 CZ TYR A 20 52.753 4.173 46.975 1.00 22.27 C ATOM 63 OH TYR A 20 51.533 3.567 46.745 1.00 26.13 O ATOM 0 H TYR A 20 54.600 8.083 48.139 1.00 19.44 H new ATOM 0 HA TYR A 20 57.301 8.102 47.626 1.00 19.52 H new ATOM 0 HB2 TYR A 20 57.214 5.778 47.144 1.00 19.72 H new ATOM 0 HB3 TYR A 20 56.811 6.008 48.633 1.00 19.72 H new ATOM 0 HD1 TYR A 20 55.552 4.963 45.545 1.00 21.08 H new ATOM 0 HD2 TYR A 20 54.390 5.702 49.297 1.00 21.08 H new ATOM 0 HE1 TYR A 20 53.546 3.909 45.143 1.00 21.05 H new ATOM 0 HE2 TYR A 20 52.390 4.642 48.885 1.00 21.64 H new ATOM 0 HH TYR A 20 51.571 3.122 46.034 1.00 26.13 H new ATOM 73 N THR A 21 57.022 7.802 45.137 1.00 17.83 N ATOM 74 CA THR A 21 56.735 8.049 43.699 1.00 17.55 C ATOM 75 C THR A 21 55.868 6.883 43.262 1.00 18.85 C ATOM 76 O THR A 21 56.249 5.745 43.450 1.00 19.76 O ATOM 77 CB THR A 21 58.052 8.051 42.957 1.00 18.71 C ATOM 78 OG1 THR A 21 58.716 9.199 43.475 1.00 19.92 O ATOM 79 CG2 THR A 21 57.840 8.318 41.472 1.00 18.92 C ATOM 0 H THR A 21 57.827 7.555 45.314 1.00 17.83 H new ATOM 0 HA THR A 21 56.289 8.893 43.529 1.00 17.55 H new ATOM 0 HB THR A 21 58.520 7.208 43.060 1.00 18.71 H new ATOM 0 HG1 THR A 21 59.469 9.275 43.111 1.00 19.92 H new ATOM 0 HG21 THR A 21 58.697 8.315 41.017 1.00 18.92 H new ATOM 0 HG22 THR A 21 57.272 7.627 41.097 1.00 18.92 H new ATOM 0 HG23 THR A 21 57.416 9.183 41.356 1.00 18.92 H new ATOM 87 N CYS A 22 54.742 7.172 42.684 1.00 18.66 N ATOM 88 CA CYS A 22 53.811 6.106 42.223 1.00 18.90 C ATOM 89 C CYS A 22 54.375 5.165 41.163 1.00 21.33 C ATOM 90 O CYS A 22 54.339 3.949 41.279 1.00 22.72 O ATOM 91 CB CYS A 22 52.546 6.720 41.624 1.00 17.18 C ATOM 92 SG CYS A 22 51.678 7.884 42.710 1.00 14.28 S ATOM 0 H CYS A 22 54.469 7.974 42.534 1.00 18.66 H new ATOM 0 HA CYS A 22 53.638 5.589 43.025 1.00 18.90 H new ATOM 0 HB2 CYS A 22 52.782 7.178 40.802 1.00 17.18 H new ATOM 0 HB3 CYS A 22 51.936 6.004 41.385 1.00 17.18 H new ATOM 97 N GLY A 23 54.855 5.780 40.139 1.00 19.33 N ATOM 98 CA GLY A 23 55.427 5.037 39.009 1.00 20.63 C ATOM 99 C GLY A 23 54.553 5.581 37.910 1.00 19.60 C ATOM 100 O GLY A 23 53.376 5.842 38.085 1.00 19.46 O ATOM 0 H GLY A 23 54.872 6.635 40.052 1.00 19.33 H new ATOM 0 HA2 GLY A 23 56.368 5.229 38.871 1.00 20.63 H new ATOM 0 HA3 GLY A 23 55.346 4.076 39.112 1.00 20.63 H new ATOM 104 N ALA A 24 55.181 5.743 36.788 1.00 19.78 N ATOM 105 CA ALA A 24 54.452 6.280 35.620 1.00 21.55 C ATOM 106 C ALA A 24 53.242 5.428 35.287 1.00 22.27 C ATOM 107 O ALA A 24 53.304 4.210 35.149 1.00 20.76 O ATOM 108 CB ALA A 24 55.344 6.321 34.380 1.00 21.93 C ATOM 0 H ALA A 24 56.011 5.561 36.655 1.00 19.78 H new ATOM 0 HA ALA A 24 54.173 7.177 35.860 1.00 21.55 H new ATOM 0 HB1 ALA A 24 54.841 6.677 33.631 1.00 21.93 H new ATOM 0 HB2 ALA A 24 56.112 6.888 34.552 1.00 21.93 H new ATOM 0 HB3 ALA A 24 55.646 5.424 34.169 1.00 21.93 H new ATOM 114 N ASN A 25 52.208 6.191 35.166 1.00 20.91 N ATOM 115 CA ASN A 25 50.875 5.711 34.838 1.00 21.41 C ATOM 116 C ASN A 25 50.375 4.510 35.674 1.00 19.47 C ATOM 117 O ASN A 25 49.714 3.625 35.147 1.00 20.44 O ATOM 118 CB ASN A 25 50.899 5.389 33.329 1.00 22.35 C ATOM 119 CG ASN A 25 51.440 6.578 32.488 1.00 23.46 C ATOM 120 OD1 ASN A 25 52.337 6.443 31.672 1.00 25.12 O ATOM 121 ND2 ASN A 25 50.938 7.766 32.639 1.00 23.27 N ATOM 0 H ASN A 25 52.245 7.043 35.274 1.00 20.91 H new ATOM 0 HA ASN A 25 50.232 6.402 35.061 1.00 21.41 H new ATOM 0 HB2 ASN A 25 51.452 4.607 33.175 1.00 22.35 H new ATOM 0 HB3 ASN A 25 50.003 5.166 33.033 1.00 22.35 H new ATOM 0 HD21 ASN A 25 51.239 8.423 32.172 1.00 23.27 H new ATOM 0 HD22 ASN A 25 50.304 7.896 33.206 1.00 23.27 H new ATOM 128 N THR A 26 50.682 4.496 36.947 1.00 19.55 N ATOM 129 CA THR A 26 50.196 3.374 37.784 1.00 18.59 C ATOM 130 C THR A 26 48.842 3.806 38.439 1.00 18.24 C ATOM 131 O THR A 26 48.203 3.002 39.102 1.00 21.57 O ATOM 132 CB THR A 26 51.237 3.069 38.858 1.00 19.72 C ATOM 133 OG1 THR A 26 51.569 4.330 39.438 1.00 19.06 O ATOM 134 CG2 THR A 26 52.531 2.585 38.172 1.00 20.85 C ATOM 0 H THR A 26 51.151 5.091 37.354 1.00 19.55 H new ATOM 0 HA THR A 26 50.057 2.576 37.250 1.00 18.59 H new ATOM 0 HB THR A 26 50.905 2.413 39.491 1.00 19.72 H new ATOM 0 HG1 THR A 26 52.226 4.661 39.032 1.00 19.06 H new ATOM 0 HG21 THR A 26 53.200 2.388 38.846 1.00 20.85 H new ATOM 0 HG22 THR A 26 52.345 1.784 37.658 1.00 20.85 H new ATOM 0 HG23 THR A 26 52.863 3.278 37.580 1.00 20.85 H new ATOM 142 N VAL A 27 48.433 5.041 38.258 1.00 14.15 N ATOM 143 CA VAL A 27 47.159 5.611 38.803 1.00 13.31 C ATOM 144 C VAL A 27 46.514 6.214 37.518 1.00 13.05 C ATOM 145 O VAL A 27 46.509 7.413 37.306 1.00 15.02 O ATOM 146 CB VAL A 27 47.477 6.708 39.840 1.00 12.77 C ATOM 147 CG1 VAL A 27 46.220 7.130 40.546 1.00 15.66 C ATOM 148 CG2 VAL A 27 48.490 6.201 40.858 1.00 14.62 C ATOM 0 H VAL A 27 48.886 5.612 37.802 1.00 14.15 H new ATOM 0 HA VAL A 27 46.588 4.974 39.261 1.00 13.31 H new ATOM 0 HB VAL A 27 47.854 7.470 39.374 1.00 12.77 H new ATOM 0 HG11 VAL A 27 46.429 7.819 41.196 1.00 15.66 H new ATOM 0 HG12 VAL A 27 45.586 7.478 39.899 1.00 15.66 H new ATOM 0 HG13 VAL A 27 45.831 6.366 41.000 1.00 15.66 H new ATOM 0 HG21 VAL A 27 48.680 6.901 41.502 1.00 14.62 H new ATOM 0 HG22 VAL A 27 48.127 5.428 41.318 1.00 14.62 H new ATOM 0 HG23 VAL A 27 49.309 5.951 40.403 1.00 14.62 H new ATOM 158 N PRO A 28 45.991 5.380 36.658 1.00 13.53 N ATOM 159 CA PRO A 28 45.563 5.817 35.305 1.00 11.87 C ATOM 160 C PRO A 28 44.328 6.762 35.253 1.00 12.12 C ATOM 161 O PRO A 28 44.083 7.374 34.246 1.00 12.60 O ATOM 162 CB PRO A 28 45.391 4.470 34.577 1.00 12.33 C ATOM 163 CG PRO A 28 44.911 3.523 35.691 1.00 13.08 C ATOM 164 CD PRO A 28 45.776 3.925 36.905 1.00 12.89 C ATOM 0 HA PRO A 28 46.208 6.404 34.881 1.00 11.87 H new ATOM 0 HB2 PRO A 28 44.744 4.532 33.857 1.00 12.33 H new ATOM 0 HB3 PRO A 28 46.224 4.167 34.184 1.00 12.33 H new ATOM 0 HG2 PRO A 28 43.965 3.637 35.873 1.00 13.08 H new ATOM 0 HG3 PRO A 28 45.044 2.593 35.451 1.00 13.08 H new ATOM 0 HD2 PRO A 28 45.321 3.762 37.746 1.00 12.89 H new ATOM 0 HD3 PRO A 28 46.612 3.434 36.935 1.00 12.89 H new ATOM 172 N TYR A 29 43.589 6.844 36.328 1.00 10.19 N ATOM 173 CA TYR A 29 42.362 7.721 36.449 1.00 10.82 C ATOM 174 C TYR A 29 42.718 9.123 37.011 1.00 9.97 C ATOM 175 O TYR A 29 41.862 9.983 37.103 1.00 9.83 O ATOM 176 CB TYR A 29 41.300 7.008 37.430 1.00 11.46 C ATOM 177 CG TYR A 29 41.960 6.586 38.793 1.00 12.09 C ATOM 178 CD1 TYR A 29 42.203 7.505 39.808 1.00 12.42 C ATOM 179 CD2 TYR A 29 42.364 5.274 39.004 1.00 10.71 C ATOM 180 CE1 TYR A 29 42.833 7.108 40.978 1.00 13.30 C ATOM 181 CE2 TYR A 29 42.991 4.888 40.171 1.00 12.76 C ATOM 182 CZ TYR A 29 43.233 5.804 41.173 1.00 13.77 C ATOM 183 OH TYR A 29 43.853 5.457 42.361 1.00 13.49 O ATOM 0 H TYR A 29 43.758 6.397 37.043 1.00 10.19 H new ATOM 0 HA TYR A 29 41.983 7.839 35.564 1.00 10.82 H new ATOM 0 HB2 TYR A 29 40.561 7.612 37.601 1.00 11.46 H new ATOM 0 HB3 TYR A 29 40.930 6.225 36.993 1.00 11.46 H new ATOM 0 HD1 TYR A 29 41.941 8.391 39.702 1.00 12.42 H new ATOM 0 HD2 TYR A 29 42.208 4.640 38.342 1.00 10.71 H new ATOM 0 HE1 TYR A 29 42.989 7.736 41.646 1.00 13.30 H new ATOM 0 HE2 TYR A 29 43.253 4.003 40.283 1.00 12.76 H new ATOM 0 HH TYR A 29 43.700 6.046 42.940 1.00 13.49 H new ATOM 193 N GLN A 30 43.960 9.318 37.377 1.00 11.42 N ATOM 194 CA GLN A 30 44.429 10.633 37.955 1.00 13.71 C ATOM 195 C GLN A 30 44.572 11.648 36.819 1.00 12.88 C ATOM 196 O GLN A 30 45.122 11.348 35.764 1.00 14.29 O ATOM 197 CB GLN A 30 45.824 10.454 38.672 1.00 12.11 C ATOM 198 CG GLN A 30 46.513 11.790 39.146 1.00 13.75 C ATOM 199 CD GLN A 30 46.005 12.321 40.461 1.00 10.86 C ATOM 200 OE1 GLN A 30 45.620 13.467 40.617 1.00 13.82 O ATOM 201 NE2 GLN A 30 46.004 11.503 41.443 1.00 10.47 N ATOM 0 H GLN A 30 44.576 8.721 37.313 1.00 11.42 H new ATOM 0 HA GLN A 30 43.781 10.944 38.607 1.00 13.71 H new ATOM 0 HB2 GLN A 30 45.703 9.878 39.443 1.00 12.11 H new ATOM 0 HB3 GLN A 30 46.426 9.994 38.066 1.00 12.11 H new ATOM 0 HG2 GLN A 30 47.469 11.640 39.218 1.00 13.75 H new ATOM 0 HG3 GLN A 30 46.383 12.468 38.464 1.00 13.75 H new ATOM 0 HE21 GLN A 30 46.276 10.695 41.330 1.00 10.47 H new ATOM 0 HE22 GLN A 30 45.731 11.760 42.217 1.00 10.47 H new ATOM 210 N VAL A 31 43.964 12.795 37.135 1.00 11.76 N ATOM 211 CA VAL A 31 44.028 13.871 36.151 1.00 15.23 C ATOM 212 C VAL A 31 44.737 15.145 36.801 1.00 15.26 C ATOM 213 O VAL A 31 44.738 15.308 38.003 1.00 13.75 O ATOM 214 CB AVAL A 31 42.523 14.127 35.849 0.41 15.00 C ATOM 215 CB BVAL A 31 42.595 14.364 35.574 0.55 16.55 C ATOM 216 CG1AVAL A 31 42.261 15.198 34.857 0.41 14.98 C ATOM 217 CG1BVAL A 31 41.614 13.213 35.199 0.55 19.01 C ATOM 218 CG2AVAL A 31 41.712 12.830 35.489 0.41 15.00 C ATOM 219 CG2BVAL A 31 41.832 15.388 36.366 0.55 15.91 C ATOM 0 H VAL A 31 43.537 12.963 37.863 1.00 11.76 H new ATOM 0 HA VAL A 31 44.539 13.668 35.352 1.00 15.23 H new ATOM 0 HB AVAL A 31 42.191 14.451 36.701 0.41 16.55 H new ATOM 0 HB BVAL A 31 42.911 14.814 34.775 0.55 16.55 H new ATOM 0 HG11AVAL A 31 41.304 15.292 34.728 0.41 19.01 H new ATOM 0 HG11BVAL A 31 40.785 13.590 34.864 0.55 19.01 H new ATOM 0 HG12AVAL A 31 42.627 16.036 35.181 0.41 19.01 H new ATOM 0 HG12BVAL A 31 42.015 12.656 34.514 0.55 19.01 H new ATOM 0 HG13AVAL A 31 42.680 14.967 34.013 0.41 19.01 H new ATOM 0 HG13BVAL A 31 41.430 12.676 35.985 0.55 19.01 H new ATOM 0 HG21AVAL A 31 40.787 13.065 35.314 0.41 15.91 H new ATOM 0 HG21BVAL A 31 40.999 15.593 35.913 0.55 15.91 H new ATOM 0 HG22AVAL A 31 42.095 12.417 34.699 0.41 15.91 H new ATOM 0 HG22BVAL A 31 41.641 15.037 37.250 0.55 15.91 H new ATOM 0 HG23AVAL A 31 41.752 12.207 36.231 0.41 15.91 H new ATOM 0 HG23BVAL A 31 42.363 16.196 36.447 0.55 15.91 H new ATOM 236 N SER A 32 45.328 15.986 35.966 1.00 12.25 N ATOM 237 CA SER A 32 45.984 17.223 36.434 1.00 11.17 C ATOM 238 C SER A 32 45.094 18.314 35.774 1.00 11.13 C ATOM 239 O SER A 32 44.819 18.227 34.596 1.00 8.90 O ATOM 240 CB SER A 32 47.414 17.349 35.887 1.00 11.45 C ATOM 241 OG SER A 32 47.847 18.690 36.151 1.00 10.56 O ATOM 0 H SER A 32 45.366 15.867 35.115 1.00 12.25 H new ATOM 0 HA SER A 32 46.060 17.271 37.400 1.00 11.17 H new ATOM 0 HB2 SER A 32 48.003 16.708 36.315 1.00 11.45 H new ATOM 0 HB3 SER A 32 47.435 17.163 34.935 1.00 11.45 H new ATOM 0 HG SER A 32 48.060 18.762 36.960 1.00 10.56 H new ATOM 247 N LEU A 33 44.693 19.302 36.508 1.00 10.81 N ATOM 248 CA LEU A 33 43.859 20.402 35.976 1.00 11.14 C ATOM 249 C LEU A 33 44.940 21.498 35.784 1.00 11.99 C ATOM 250 O LEU A 33 45.728 21.829 36.670 1.00 10.86 O ATOM 251 CB LEU A 33 42.841 20.839 37.006 1.00 10.75 C ATOM 252 CG LEU A 33 41.876 19.725 37.431 1.00 11.00 C ATOM 253 CD1 LEU A 33 40.853 20.360 38.398 1.00 12.65 C ATOM 254 CD2 LEU A 33 41.191 19.083 36.198 1.00 12.42 C ATOM 0 H LEU A 33 44.884 19.381 37.343 1.00 10.81 H new ATOM 0 HA LEU A 33 43.349 20.183 35.180 1.00 11.14 H new ATOM 0 HB2 LEU A 33 43.307 21.169 37.790 1.00 10.75 H new ATOM 0 HB3 LEU A 33 42.329 21.581 36.648 1.00 10.75 H new ATOM 0 HG LEU A 33 42.349 19.005 37.876 1.00 11.00 H new ATOM 0 HD11 LEU A 33 40.222 19.684 38.691 1.00 12.65 H new ATOM 0 HD12 LEU A 33 41.318 20.723 39.168 1.00 12.65 H new ATOM 0 HD13 LEU A 33 40.376 21.072 37.943 1.00 12.65 H new ATOM 0 HD21 LEU A 33 40.587 18.383 36.491 1.00 12.42 H new ATOM 0 HD22 LEU A 33 40.691 19.760 35.716 1.00 12.42 H new ATOM 0 HD23 LEU A 33 41.866 18.703 35.614 1.00 12.42 H new ATOM 266 N ASN A 34 44.936 22.040 34.616 1.00 11.55 N ATOM 267 CA ASN A 34 45.922 23.093 34.249 1.00 10.35 C ATOM 268 C ASN A 34 45.375 24.392 33.748 1.00 12.08 C ATOM 269 O ASN A 34 44.512 24.349 32.884 1.00 11.11 O ATOM 270 CB ASN A 34 46.819 22.452 33.172 1.00 11.92 C ATOM 271 CG ASN A 34 47.995 23.291 32.667 1.00 13.15 C ATOM 272 OD1 ASN A 34 47.831 24.287 31.989 1.00 12.58 O ATOM 273 ND2 ASN A 34 49.199 22.920 32.966 1.00 10.35 N ATOM 0 H ASN A 34 44.381 21.836 33.991 1.00 11.55 H new ATOM 0 HA ASN A 34 46.382 23.356 35.061 1.00 10.35 H new ATOM 0 HB2 ASN A 34 47.171 21.621 33.527 1.00 11.92 H new ATOM 0 HB3 ASN A 34 46.262 22.223 32.412 1.00 11.92 H new ATOM 0 HD21 ASN A 34 49.872 23.377 32.686 1.00 10.35 H new ATOM 0 HD22 ASN A 34 49.326 22.217 33.445 1.00 10.35 H new ATOM 280 N SER A 37 45.832 25.499 34.254 1.00 14.16 N ATOM 281 CA SER A 37 45.302 26.800 33.720 1.00 14.63 C ATOM 282 C SER A 37 46.597 27.584 33.412 1.00 14.76 C ATOM 283 O SER A 37 46.755 28.729 33.790 1.00 14.35 O ATOM 284 CB SER A 37 44.461 27.553 34.761 1.00 18.30 C ATOM 285 OG SER A 37 45.292 27.608 35.908 1.00 20.74 O ATOM 0 H SER A 37 46.421 25.560 34.878 1.00 14.16 H new ATOM 0 HA SER A 37 44.714 26.679 32.958 1.00 14.63 H new ATOM 0 HB2 SER A 37 44.226 28.442 34.451 1.00 18.30 H new ATOM 0 HB3 SER A 37 43.630 27.089 34.948 1.00 18.30 H new ATOM 0 HG SER A 37 45.153 26.933 36.388 1.00 20.74 H new ATOM 291 N GLY A 38 47.503 26.928 32.719 1.00 13.96 N ATOM 292 CA GLY A 38 48.808 27.529 32.343 1.00 11.96 C ATOM 293 C GLY A 38 49.914 26.926 33.240 1.00 12.51 C ATOM 294 O GLY A 38 51.097 27.159 33.031 1.00 12.23 O ATOM 0 H GLY A 38 47.397 26.120 32.444 1.00 13.96 H new ATOM 0 HA2 GLY A 38 49.001 27.354 31.409 1.00 11.96 H new ATOM 0 HA3 GLY A 38 48.777 28.493 32.451 1.00 11.96 H new ATOM 298 N TYR A 39 49.436 26.187 34.223 1.00 10.37 N ATOM 299 CA TYR A 39 50.242 25.479 35.239 1.00 12.25 C ATOM 300 C TYR A 39 49.272 24.536 35.942 1.00 13.63 C ATOM 301 O TYR A 39 48.076 24.718 35.894 1.00 10.24 O ATOM 302 CB TYR A 39 50.841 26.450 36.303 1.00 12.06 C ATOM 303 CG TYR A 39 49.773 27.402 36.777 1.00 13.33 C ATOM 304 CD1 TYR A 39 49.548 28.566 36.080 1.00 14.73 C ATOM 305 CD2 TYR A 39 48.980 27.100 37.859 1.00 16.78 C ATOM 306 CE1 TYR A 39 48.540 29.408 36.456 1.00 16.06 C ATOM 307 CE2 TYR A 39 47.979 27.946 38.230 1.00 15.70 C ATOM 308 CZ TYR A 39 47.750 29.100 37.525 1.00 16.28 C ATOM 309 OH TYR A 39 46.719 29.949 37.857 1.00 18.43 O ATOM 0 H TYR A 39 48.591 26.070 34.333 1.00 10.37 H new ATOM 0 HA TYR A 39 50.988 25.028 34.813 1.00 12.25 H new ATOM 0 HB2 TYR A 39 51.193 25.945 37.053 1.00 12.06 H new ATOM 0 HB3 TYR A 39 51.582 26.945 35.921 1.00 12.06 H new ATOM 0 HD1 TYR A 39 50.084 28.781 35.351 1.00 14.73 H new ATOM 0 HD2 TYR A 39 49.127 26.317 38.338 1.00 16.78 H new ATOM 0 HE1 TYR A 39 48.392 30.194 35.982 1.00 16.06 H new ATOM 0 HE2 TYR A 39 47.448 27.740 38.965 1.00 15.70 H new ATOM 0 HH TYR A 39 46.312 29.647 38.527 1.00 18.43 H new ATOM 319 N HIS A 40 49.837 23.562 36.592 1.00 11.88 N ATOM 320 CA HIS A 40 49.054 22.556 37.331 1.00 10.56 C ATOM 321 C HIS A 40 48.575 23.239 38.603 1.00 10.97 C ATOM 322 O HIS A 40 49.385 23.850 39.281 1.00 9.51 O ATOM 323 CB HIS A 40 49.970 21.353 37.675 1.00 12.82 C ATOM 324 CG HIS A 40 49.319 20.519 38.848 1.00 12.40 C ATOM 325 ND1 HIS A 40 48.448 19.591 38.690 1.00 12.46 N ATOM 326 CD2 HIS A 40 49.485 20.581 40.238 1.00 13.42 C ATOM 327 CE1 HIS A 40 48.091 19.107 39.844 1.00 11.25 C ATOM 328 NE2 HIS A 40 48.713 19.691 40.834 1.00 13.41 N ATOM 0 H HIS A 40 50.688 23.445 36.631 1.00 11.88 H new ATOM 0 HA HIS A 40 48.303 22.225 36.813 1.00 10.56 H new ATOM 0 HB2 HIS A 40 50.091 20.791 36.893 1.00 12.82 H new ATOM 0 HB3 HIS A 40 50.849 21.667 37.937 1.00 12.82 H new ATOM 0 HD2 HIS A 40 50.058 21.166 40.678 1.00 13.42 H new ATOM 0 HE1 HIS A 40 47.467 18.426 39.952 1.00 11.25 H new ATOM 0 HE2 HIS A 40 48.637 19.533 41.676 1.00 13.41 H new ATOM 336 N PHE A 41 47.305 23.161 38.918 1.00 10.77 N ATOM 337 CA PHE A 41 46.813 23.817 40.176 1.00 11.47 C ATOM 338 C PHE A 41 45.932 22.852 40.995 1.00 12.68 C ATOM 339 O PHE A 41 45.693 23.135 42.150 1.00 11.64 O ATOM 340 CB PHE A 41 46.019 25.113 39.849 1.00 14.70 C ATOM 341 CG PHE A 41 44.672 24.862 39.174 1.00 14.31 C ATOM 342 CD1 PHE A 41 43.522 24.644 39.924 1.00 14.34 C ATOM 343 CD2 PHE A 41 44.598 24.837 37.805 1.00 15.16 C ATOM 344 CE1 PHE A 41 42.334 24.406 39.302 1.00 14.89 C ATOM 345 CE2 PHE A 41 43.408 24.599 37.175 1.00 15.80 C ATOM 346 CZ PHE A 41 42.266 24.382 37.927 1.00 15.93 C ATOM 0 H PHE A 41 46.705 22.754 38.455 1.00 10.77 H new ATOM 0 HA PHE A 41 47.589 24.053 40.708 1.00 11.47 H new ATOM 0 HB2 PHE A 41 45.872 25.607 40.671 1.00 14.70 H new ATOM 0 HB3 PHE A 41 46.559 25.676 39.273 1.00 14.70 H new ATOM 0 HD1 PHE A 41 43.564 24.661 40.853 1.00 14.34 H new ATOM 0 HD2 PHE A 41 45.365 24.983 37.300 1.00 15.16 H new ATOM 0 HE1 PHE A 41 41.567 24.259 39.807 1.00 14.89 H new ATOM 0 HE2 PHE A 41 43.366 24.583 36.246 1.00 15.80 H new ATOM 0 HZ PHE A 41 41.454 24.220 37.504 1.00 15.93 H new ATOM 356 N CYS A 42 45.444 21.773 40.431 1.00 13.77 N ATOM 357 CA CYS A 42 44.600 20.800 41.192 1.00 10.88 C ATOM 358 C CYS A 42 44.600 19.459 40.456 1.00 13.21 C ATOM 359 O CYS A 42 44.980 19.394 39.292 1.00 10.46 O ATOM 360 CB CYS A 42 43.122 21.317 41.311 1.00 8.51 C ATOM 361 SG CYS A 42 42.728 22.422 42.700 1.00 11.64 S ATOM 0 H CYS A 42 45.575 21.561 39.608 1.00 13.77 H new ATOM 0 HA CYS A 42 44.968 20.700 42.084 1.00 10.88 H new ATOM 0 HB2 CYS A 42 42.900 21.780 40.488 1.00 8.51 H new ATOM 0 HB3 CYS A 42 42.538 20.544 41.368 1.00 8.51 H new ATOM 366 N GLY A 43 44.173 18.447 41.150 1.00 8.22 N ATOM 367 CA GLY A 43 44.089 17.070 40.600 1.00 8.69 C ATOM 368 C GLY A 43 42.584 16.812 40.389 1.00 7.84 C ATOM 369 O GLY A 43 41.730 17.616 40.717 1.00 8.02 O ATOM 0 H GLY A 43 43.913 18.511 41.967 1.00 8.22 H new ATOM 0 HA2 GLY A 43 44.578 16.995 39.766 1.00 8.69 H new ATOM 0 HA3 GLY A 43 44.473 16.424 41.213 1.00 8.69 H new ATOM 373 N GLY A 44 42.277 15.677 39.827 1.00 12.57 N ATOM 374 CA GLY A 44 40.863 15.287 39.570 1.00 11.79 C ATOM 375 C GLY A 44 40.876 13.782 39.268 1.00 10.68 C ATOM 376 O GLY A 44 41.963 13.223 39.215 1.00 10.96 O ATOM 0 H GLY A 44 42.857 15.094 39.575 1.00 12.57 H new ATOM 0 HA2 GLY A 44 40.306 15.480 40.340 1.00 11.79 H new ATOM 0 HA3 GLY A 44 40.497 15.786 38.823 1.00 11.79 H new ATOM 380 N SER A 45 39.716 13.181 39.091 1.00 9.85 N ATOM 381 CA SER A 45 39.630 11.725 38.778 1.00 9.91 C ATOM 382 C SER A 45 38.737 11.561 37.539 1.00 9.57 C ATOM 383 O SER A 45 37.707 12.206 37.460 1.00 8.30 O ATOM 384 CB SER A 45 38.970 10.948 39.891 1.00 11.03 C ATOM 385 OG SER A 45 39.838 11.074 40.997 1.00 16.25 O ATOM 0 H SER A 45 38.956 13.579 39.143 1.00 9.85 H new ATOM 0 HA SER A 45 40.532 11.392 38.646 1.00 9.91 H new ATOM 0 HB2 SER A 45 38.091 11.304 40.093 1.00 11.03 H new ATOM 0 HB3 SER A 45 38.849 10.018 39.645 1.00 11.03 H new ATOM 0 HG SER A 45 39.569 11.695 41.495 1.00 16.25 H new ATOM 391 N LEU A 46 39.123 10.716 36.617 1.00 10.84 N ATOM 392 CA LEU A 46 38.305 10.497 35.392 1.00 10.83 C ATOM 393 C LEU A 46 37.230 9.452 35.785 1.00 11.91 C ATOM 394 O LEU A 46 37.599 8.385 36.247 1.00 10.63 O ATOM 395 CB LEU A 46 39.215 9.945 34.326 1.00 13.23 C ATOM 396 CG LEU A 46 38.499 9.759 32.983 1.00 15.30 C ATOM 397 CD1 LEU A 46 38.154 11.131 32.383 1.00 13.69 C ATOM 398 CD2 LEU A 46 39.441 8.974 32.012 1.00 17.94 C ATOM 0 H LEU A 46 39.845 10.251 36.657 1.00 10.84 H new ATOM 0 HA LEU A 46 37.888 11.307 35.058 1.00 10.83 H new ATOM 0 HB2 LEU A 46 39.969 10.543 34.207 1.00 13.23 H new ATOM 0 HB3 LEU A 46 39.573 9.092 34.620 1.00 13.23 H new ATOM 0 HG LEU A 46 37.677 9.261 33.115 1.00 15.30 H new ATOM 0 HD11 LEU A 46 37.701 11.008 31.534 1.00 13.69 H new ATOM 0 HD12 LEU A 46 37.573 11.614 32.992 1.00 13.69 H new ATOM 0 HD13 LEU A 46 38.969 11.638 32.244 1.00 13.69 H new ATOM 0 HD21 LEU A 46 38.997 8.851 31.159 1.00 17.94 H new ATOM 0 HD22 LEU A 46 40.261 9.476 31.880 1.00 17.94 H new ATOM 0 HD23 LEU A 46 39.651 8.108 32.394 1.00 17.94 H new ATOM 410 N ILE A 47 35.973 9.747 35.600 1.00 13.74 N ATOM 411 CA ILE A 47 34.920 8.750 35.967 1.00 16.04 C ATOM 412 C ILE A 47 34.353 8.074 34.699 1.00 15.20 C ATOM 413 O ILE A 47 33.689 7.070 34.822 1.00 15.63 O ATOM 414 CB ILE A 47 33.821 9.484 36.838 1.00 18.93 C ATOM 415 CG1 ILE A 47 33.256 10.750 36.214 1.00 18.80 C ATOM 416 CG2 ILE A 47 34.546 9.877 38.138 1.00 21.64 C ATOM 417 CD1 ILE A 47 31.906 11.055 36.906 1.00 21.36 C ATOM 0 H ILE A 47 35.682 10.488 35.275 1.00 13.74 H new ATOM 0 HA ILE A 47 35.291 8.031 36.502 1.00 16.04 H new ATOM 0 HB ILE A 47 33.064 8.888 36.949 1.00 18.93 H new ATOM 0 HG12 ILE A 47 33.872 11.490 36.329 1.00 18.80 H new ATOM 0 HG13 ILE A 47 33.130 10.632 35.260 1.00 18.80 H new ATOM 0 HG21 ILE A 47 33.928 10.336 38.727 1.00 21.64 H new ATOM 0 HG22 ILE A 47 34.878 9.079 38.578 1.00 21.64 H new ATOM 0 HG23 ILE A 47 35.290 10.464 37.929 1.00 21.64 H new ATOM 0 HD11 ILE A 47 31.522 11.861 36.526 1.00 21.36 H new ATOM 0 HD12 ILE A 47 31.297 10.312 36.770 1.00 21.36 H new ATOM 0 HD13 ILE A 47 32.051 11.184 37.856 1.00 21.36 H new ATOM 429 N ASN A 48 34.587 8.618 33.540 1.00 13.31 N ATOM 430 CA ASN A 48 34.115 7.995 32.262 1.00 15.00 C ATOM 431 C ASN A 48 34.798 8.780 31.130 1.00 14.37 C ATOM 432 O ASN A 48 35.371 9.808 31.422 1.00 14.32 O ATOM 433 CB ASN A 48 32.566 7.999 32.122 1.00 15.35 C ATOM 434 CG ASN A 48 31.865 9.296 31.822 1.00 15.50 C ATOM 435 OD1 ASN A 48 30.694 9.356 32.107 1.00 20.25 O ATOM 436 ND2 ASN A 48 32.433 10.313 31.285 1.00 12.19 N ATOM 0 H ASN A 48 35.019 9.355 33.436 1.00 13.31 H new ATOM 0 HA ASN A 48 34.354 7.055 32.235 1.00 15.00 H new ATOM 0 HB2 ASN A 48 32.334 7.371 31.420 1.00 15.35 H new ATOM 0 HB3 ASN A 48 32.196 7.650 32.948 1.00 15.35 H new ATOM 0 HD21 ASN A 48 31.980 11.028 31.132 1.00 12.19 H new ATOM 0 HD22 ASN A 48 33.267 10.280 31.078 1.00 12.19 H new ATOM 443 N SER A 49 34.740 8.381 29.896 1.00 14.77 N ATOM 444 CA SER A 49 35.460 9.156 28.841 1.00 15.39 C ATOM 445 C SER A 49 35.175 10.658 28.675 1.00 16.60 C ATOM 446 O SER A 49 35.966 11.384 28.089 1.00 16.72 O ATOM 447 CB SER A 49 35.237 8.389 27.490 1.00 17.28 C ATOM 448 OG SER A 49 33.897 8.662 27.105 1.00 22.62 O ATOM 0 H SER A 49 34.311 7.689 29.619 1.00 14.77 H new ATOM 0 HA SER A 49 36.382 9.191 29.140 1.00 15.39 H new ATOM 0 HB2 SER A 49 35.862 8.690 26.812 1.00 17.28 H new ATOM 0 HB3 SER A 49 35.379 7.436 27.603 1.00 17.28 H new ATOM 0 HG SER A 49 33.382 8.109 27.472 1.00 22.62 H new ATOM 454 N GLN A 50 34.054 11.097 29.176 1.00 14.31 N ATOM 455 CA GLN A 50 33.721 12.539 29.044 1.00 13.91 C ATOM 456 C GLN A 50 33.637 13.306 30.379 1.00 13.61 C ATOM 457 O GLN A 50 33.439 14.503 30.310 1.00 12.85 O ATOM 458 CB AGLN A 50 32.358 12.699 28.359 0.52 15.57 C ATOM 459 CB BGLN A 50 32.372 12.657 28.303 0.34 13.78 C ATOM 460 CG AGLN A 50 32.263 11.988 27.010 0.52 17.83 C ATOM 461 CG BGLN A 50 32.410 11.927 26.920 0.34 14.96 C ATOM 462 CD AGLN A 50 30.811 12.164 26.556 0.52 19.43 C ATOM 463 CD BGLN A 50 31.022 11.956 26.261 0.34 15.46 C ATOM 464 OE1AGLN A 50 29.924 11.450 26.983 0.52 22.42 O ATOM 465 OE1BGLN A 50 30.789 11.404 25.201 0.34 14.89 O ATOM 466 NE2AGLN A 50 30.508 13.095 25.711 0.52 19.38 N ATOM 467 NE2BGLN A 50 30.052 12.583 26.851 0.34 15.67 N ATOM 0 H GLN A 50 33.472 10.616 29.588 1.00 14.31 H new ATOM 0 HA GLN A 50 34.452 12.914 28.528 1.00 13.91 H new ATOM 0 HB2AGLN A 50 31.667 12.355 28.947 0.52 13.78 H new ATOM 0 HB2BGLN A 50 31.667 12.278 28.851 0.34 13.78 H new ATOM 0 HB3AGLN A 50 32.178 13.644 28.231 0.52 13.78 H new ATOM 0 HB3BGLN A 50 32.156 13.593 28.170 0.34 13.78 H new ATOM 0 HG2AGLN A 50 32.879 12.374 26.368 0.52 14.96 H new ATOM 0 HG2BGLN A 50 33.059 12.355 26.340 0.34 14.96 H new ATOM 0 HG3AGLN A 50 32.491 11.049 27.093 0.52 14.96 H new ATOM 0 HG3BGLN A 50 32.698 11.009 27.040 0.34 14.96 H new ATOM 0 HE21AGLN A 50 31.123 13.609 25.399 0.52 15.67 H new ATOM 0 HE21BGLN A 50 30.190 12.981 27.601 0.34 15.67 H new ATOM 0 HE22AGLN A 50 29.692 13.200 25.461 0.52 15.67 H new ATOM 0 HE22BGLN A 50 29.270 12.601 26.493 0.34 15.67 H new ATOM 482 N TRP A 51 33.787 12.664 31.500 1.00 10.41 N ATOM 483 CA TRP A 51 33.666 13.420 32.778 1.00 10.58 C ATOM 484 C TRP A 51 34.746 13.241 33.846 1.00 9.30 C ATOM 485 O TRP A 51 35.276 12.159 34.040 1.00 11.82 O ATOM 486 CB TRP A 51 32.271 13.050 33.396 1.00 10.50 C ATOM 487 CG TRP A 51 31.041 13.592 32.622 1.00 10.88 C ATOM 488 CD1 TRP A 51 30.400 12.953 31.609 1.00 10.32 C ATOM 489 CD2 TRP A 51 30.421 14.790 32.833 1.00 11.41 C ATOM 490 NE1 TRP A 51 29.447 13.779 31.268 1.00 11.01 N ATOM 491 CE2 TRP A 51 29.369 14.912 31.938 1.00 12.63 C ATOM 492 CE3 TRP A 51 30.642 15.847 33.724 1.00 10.62 C ATOM 493 CZ2 TRP A 51 28.553 16.042 31.922 1.00 14.32 C ATOM 494 CZ3 TRP A 51 29.831 16.979 33.712 1.00 13.46 C ATOM 495 CH2 TRP A 51 28.781 17.079 32.808 1.00 14.41 C ATOM 0 H TRP A 51 33.954 11.824 31.576 1.00 10.41 H new ATOM 0 HA TRP A 51 33.775 14.350 32.525 1.00 10.58 H new ATOM 0 HB2 TRP A 51 32.202 12.084 33.448 1.00 10.50 H new ATOM 0 HB3 TRP A 51 32.237 13.386 34.305 1.00 10.50 H new ATOM 0 HD1 TRP A 51 30.595 12.120 31.243 1.00 10.32 H new ATOM 0 HE1 TRP A 51 28.895 13.592 30.635 1.00 11.01 H new ATOM 0 HE3 TRP A 51 31.342 15.792 34.334 1.00 10.62 H new ATOM 0 HZ2 TRP A 51 27.852 16.099 31.313 1.00 14.32 H new ATOM 0 HZ3 TRP A 51 29.993 17.671 34.312 1.00 13.46 H new ATOM 0 HH2 TRP A 51 28.238 17.834 32.799 1.00 14.41 H new ATOM 506 N VAL A 52 35.014 14.317 34.526 1.00 8.26 N ATOM 507 CA VAL A 52 36.013 14.361 35.617 1.00 9.65 C ATOM 508 C VAL A 52 35.352 14.898 36.904 1.00 9.98 C ATOM 509 O VAL A 52 34.503 15.766 36.839 1.00 10.65 O ATOM 510 CB VAL A 52 37.217 15.298 35.165 1.00 10.22 C ATOM 511 CG1 VAL A 52 38.211 15.554 36.355 1.00 11.01 C ATOM 512 CG2 VAL A 52 38.014 14.616 34.026 1.00 11.89 C ATOM 0 H VAL A 52 34.626 15.071 34.383 1.00 8.26 H new ATOM 0 HA VAL A 52 36.353 13.471 35.801 1.00 9.65 H new ATOM 0 HB VAL A 52 36.838 16.140 34.868 1.00 10.22 H new ATOM 0 HG11 VAL A 52 38.934 16.126 36.055 1.00 11.01 H new ATOM 0 HG12 VAL A 52 37.739 15.986 37.084 1.00 11.01 H new ATOM 0 HG13 VAL A 52 38.574 14.708 36.661 1.00 11.01 H new ATOM 0 HG21 VAL A 52 38.746 15.191 33.754 1.00 11.89 H new ATOM 0 HG22 VAL A 52 38.368 13.769 34.340 1.00 11.89 H new ATOM 0 HG23 VAL A 52 37.428 14.460 33.269 1.00 11.89 H new ATOM 522 N VAL A 53 35.718 14.336 38.047 1.00 8.45 N ATOM 523 CA VAL A 53 35.151 14.824 39.351 1.00 12.30 C ATOM 524 C VAL A 53 36.414 15.410 40.049 1.00 11.19 C ATOM 525 O VAL A 53 37.505 14.847 40.012 1.00 12.10 O ATOM 526 CB AVAL A 53 34.496 13.618 40.153 0.84 13.10 C ATOM 527 CB BVAL A 53 34.589 13.656 40.272 0.16 17.23 C ATOM 528 CG1AVAL A 53 35.472 12.473 40.406 0.84 15.92 C ATOM 529 CG1BVAL A 53 33.364 12.964 39.662 0.16 18.56 C ATOM 530 CG2AVAL A 53 33.925 14.131 41.495 0.84 13.61 C ATOM 531 CG2BVAL A 53 35.633 12.558 40.500 0.16 19.60 C ATOM 0 H VAL A 53 36.277 13.686 38.114 1.00 8.45 H new ATOM 0 HA VAL A 53 34.436 15.475 39.272 1.00 12.30 H new ATOM 0 HB AVAL A 53 33.783 13.263 39.600 0.84 17.23 H new ATOM 0 HB BVAL A 53 34.352 14.092 41.105 0.16 17.23 H new ATOM 0 HG11AVAL A 53 35.023 11.767 40.896 0.84 18.56 H new ATOM 0 HG11BVAL A 53 33.059 12.262 40.258 0.16 18.56 H new ATOM 0 HG12AVAL A 53 35.790 12.125 39.558 0.84 18.56 H new ATOM 0 HG12BVAL A 53 32.654 13.613 39.537 0.16 18.56 H new ATOM 0 HG13AVAL A 53 36.225 12.798 40.924 0.84 18.56 H new ATOM 0 HG13BVAL A 53 33.603 12.579 38.805 0.16 18.56 H new ATOM 0 HG21AVAL A 53 33.526 13.392 41.981 0.84 19.60 H new ATOM 0 HG21BVAL A 53 35.256 11.865 41.064 0.16 19.60 H new ATOM 0 HG22AVAL A 53 34.640 14.517 42.024 0.84 19.60 H new ATOM 0 HG22BVAL A 53 35.892 12.175 39.647 0.16 19.60 H new ATOM 0 HG23AVAL A 53 33.250 14.806 41.323 0.84 19.60 H new ATOM 0 HG23BVAL A 53 36.413 12.938 40.933 0.16 19.60 H new ATOM 548 N SER A 54 36.273 16.531 40.645 1.00 7.74 N ATOM 549 CA SER A 54 37.358 17.216 41.373 1.00 8.14 C ATOM 550 C SER A 54 36.640 17.947 42.533 1.00 10.52 C ATOM 551 O SER A 54 35.484 17.699 42.837 1.00 8.55 O ATOM 552 CB SER A 54 38.076 18.186 40.409 1.00 7.76 C ATOM 553 OG SER A 54 39.129 18.819 41.117 1.00 8.84 O ATOM 0 H SER A 54 35.528 16.961 40.659 1.00 7.74 H new ATOM 0 HA SER A 54 38.044 16.622 41.717 1.00 8.14 H new ATOM 0 HB2 SER A 54 38.426 17.704 39.643 1.00 7.76 H new ATOM 0 HB3 SER A 54 37.453 18.847 40.068 1.00 7.76 H new ATOM 0 HG SER A 54 39.852 18.422 40.959 1.00 8.84 H new ATOM 559 N ALA A 55 37.365 18.848 43.146 1.00 8.81 N ATOM 560 CA ALA A 55 36.830 19.618 44.271 1.00 10.19 C ATOM 561 C ALA A 55 36.319 20.971 43.806 1.00 9.75 C ATOM 562 O ALA A 55 36.854 21.613 42.929 1.00 10.45 O ATOM 563 CB ALA A 55 37.945 19.834 45.321 1.00 8.14 C ATOM 0 H ALA A 55 38.176 19.040 42.935 1.00 8.81 H new ATOM 0 HA ALA A 55 36.093 19.122 44.660 1.00 10.19 H new ATOM 0 HB1 ALA A 55 37.593 20.344 46.067 1.00 8.14 H new ATOM 0 HB2 ALA A 55 38.262 18.974 45.639 1.00 8.14 H new ATOM 0 HB3 ALA A 55 38.681 20.320 44.917 1.00 8.14 H new ATOM 569 N ALA A 56 35.272 21.400 44.442 1.00 11.14 N ATOM 570 CA ALA A 56 34.673 22.718 44.094 1.00 10.22 C ATOM 571 C ALA A 56 35.618 23.880 44.458 1.00 10.37 C ATOM 572 O ALA A 56 35.557 24.923 43.814 1.00 10.28 O ATOM 573 CB ALA A 56 33.386 22.869 44.838 1.00 11.96 C ATOM 0 H ALA A 56 34.874 20.974 45.074 1.00 11.14 H new ATOM 0 HA ALA A 56 34.521 22.748 43.137 1.00 10.22 H new ATOM 0 HB1 ALA A 56 32.985 23.725 44.620 1.00 11.96 H new ATOM 0 HB2 ALA A 56 32.780 22.155 44.586 1.00 11.96 H new ATOM 0 HB3 ALA A 56 33.556 22.826 45.792 1.00 11.96 H new ATOM 579 N HIS A 57 36.462 23.698 45.447 1.00 9.18 N ATOM 580 CA HIS A 57 37.369 24.843 45.782 1.00 10.70 C ATOM 581 C HIS A 57 38.499 24.961 44.746 1.00 11.63 C ATOM 582 O HIS A 57 39.351 25.830 44.838 1.00 13.44 O ATOM 583 CB HIS A 57 37.966 24.711 47.245 1.00 11.11 C ATOM 584 CG HIS A 57 38.979 23.613 47.477 1.00 14.99 C ATOM 585 ND1 HIS A 57 38.746 22.362 47.689 1.00 15.89 N ATOM 586 CD2 HIS A 57 40.357 23.692 47.508 1.00 17.68 C ATOM 587 CE1 HIS A 57 39.841 21.705 47.837 1.00 17.05 C ATOM 588 NE2 HIS A 57 40.861 22.498 47.731 1.00 17.89 N ATOM 0 H HIS A 57 36.546 22.986 45.922 1.00 9.18 H new ATOM 0 HA HIS A 57 36.837 25.653 45.755 1.00 10.70 H new ATOM 0 HB2 HIS A 57 38.379 25.557 47.479 1.00 11.11 H new ATOM 0 HB3 HIS A 57 37.229 24.576 47.860 1.00 11.11 H new ATOM 0 HD1 HIS A 57 37.961 22.013 47.726 1.00 15.89 H new ATOM 0 HD2 HIS A 57 40.853 24.470 47.389 1.00 17.68 H new ATOM 0 HE1 HIS A 57 39.894 20.790 47.997 1.00 17.05 H new ATOM 596 N CYS A 58 38.475 24.079 43.761 1.00 11.42 N ATOM 597 CA CYS A 58 39.469 24.058 42.642 1.00 10.64 C ATOM 598 C CYS A 58 38.793 24.737 41.437 1.00 12.41 C ATOM 599 O CYS A 58 39.358 24.795 40.366 1.00 13.40 O ATOM 600 CB CYS A 58 39.830 22.641 42.170 1.00 9.72 C ATOM 601 SG CYS A 58 40.915 21.745 43.289 1.00 10.46 S ATOM 0 H CYS A 58 37.882 23.459 43.703 1.00 11.42 H new ATOM 0 HA CYS A 58 40.276 24.492 42.960 1.00 10.64 H new ATOM 0 HB2 CYS A 58 39.013 22.132 42.052 1.00 9.72 H new ATOM 0 HB3 CYS A 58 40.256 22.699 41.300 1.00 9.72 H new ATOM 606 N TYR A 59 37.604 25.233 41.604 1.00 14.45 N ATOM 607 CA TYR A 59 36.913 25.903 40.459 1.00 14.56 C ATOM 608 C TYR A 59 37.719 27.117 39.913 1.00 13.98 C ATOM 609 O TYR A 59 38.241 27.923 40.676 1.00 15.16 O ATOM 610 CB TYR A 59 35.500 26.387 40.922 1.00 14.75 C ATOM 611 CG TYR A 59 34.902 27.336 39.845 1.00 14.79 C ATOM 612 CD1 TYR A 59 35.010 28.698 40.050 1.00 15.56 C ATOM 613 CD2 TYR A 59 34.307 26.867 38.664 1.00 16.77 C ATOM 614 CE1 TYR A 59 34.551 29.561 39.108 1.00 15.06 C ATOM 615 CE2 TYR A 59 33.848 27.764 37.720 1.00 16.79 C ATOM 616 CZ TYR A 59 33.985 29.118 37.964 1.00 15.42 C ATOM 617 OH TYR A 59 33.580 30.076 37.068 1.00 20.90 O ATOM 0 H TYR A 59 37.160 25.211 42.340 1.00 14.45 H new ATOM 0 HA TYR A 59 36.836 25.255 39.741 1.00 14.56 H new ATOM 0 HB2 TYR A 59 34.915 25.626 41.058 1.00 14.75 H new ATOM 0 HB3 TYR A 59 35.568 26.848 41.773 1.00 14.75 H new ATOM 0 HD1 TYR A 59 35.396 29.023 40.831 1.00 15.56 H new ATOM 0 HD2 TYR A 59 34.222 25.953 38.517 1.00 16.77 H new ATOM 0 HE1 TYR A 59 34.628 30.476 39.253 1.00 15.06 H new ATOM 0 HE2 TYR A 59 33.453 27.463 36.934 1.00 16.79 H new ATOM 0 HH TYR A 59 33.244 29.705 36.393 1.00 20.90 H new ATOM 627 N LYS A 60 37.754 27.168 38.617 1.00 16.27 N ATOM 628 CA LYS A 60 38.438 28.219 37.814 1.00 18.89 C ATOM 629 C LYS A 60 37.778 28.152 36.470 1.00 20.66 C ATOM 630 O LYS A 60 37.188 27.158 36.085 1.00 21.06 O ATOM 631 CB LYS A 60 39.888 27.974 37.416 1.00 22.26 C ATOM 632 CG LYS A 60 40.806 28.207 38.533 1.00 22.98 C ATOM 633 CD LYS A 60 42.234 28.164 37.941 1.00 24.02 C ATOM 634 CE LYS A 60 43.227 28.440 39.066 1.00 25.23 C ATOM 635 NZ LYS A 60 44.616 28.166 38.631 0.01 26.15 N ATOM 0 H LYS A 60 37.369 26.575 38.127 1.00 16.27 H new ATOM 0 HA LYS A 60 38.392 29.021 38.358 1.00 18.89 H new ATOM 0 HB2 LYS A 60 39.987 27.062 37.101 1.00 22.26 H new ATOM 0 HB3 LYS A 60 40.123 28.557 36.677 1.00 22.26 H new ATOM 0 HG2 LYS A 60 40.631 29.065 38.951 1.00 22.98 H new ATOM 0 HG3 LYS A 60 40.695 27.529 39.218 1.00 22.98 H new ATOM 0 HD2 LYS A 60 42.408 27.297 37.541 1.00 24.02 H new ATOM 0 HD3 LYS A 60 42.328 28.825 37.237 1.00 24.02 H new ATOM 0 HE2 LYS A 60 43.150 29.364 39.349 1.00 25.23 H new ATOM 0 HE3 LYS A 60 43.011 27.889 39.834 1.00 25.23 H new ATOM 0 HZ1 LYS A 60 45.176 28.334 39.302 0.01 26.15 H new ATOM 0 HZ2 LYS A 60 44.689 27.312 38.390 0.01 26.15 H new ATOM 0 HZ3 LYS A 60 44.819 28.687 37.939 0.01 26.15 H new ATOM 649 N SER A 61 37.934 29.224 35.788 1.00 23.30 N ATOM 650 CA SER A 61 37.365 29.338 34.434 1.00 25.22 C ATOM 651 C SER A 61 38.651 29.036 33.577 1.00 24.82 C ATOM 652 O SER A 61 39.744 29.347 34.016 1.00 28.17 O ATOM 653 CB SER A 61 36.834 30.811 34.262 1.00 24.89 C ATOM 654 OG SER A 61 35.823 30.718 33.260 0.09 24.92 O ATOM 0 H SER A 61 38.362 29.918 36.062 1.00 23.30 H new ATOM 0 HA SER A 61 36.618 28.763 34.205 1.00 25.22 H new ATOM 0 HB2 SER A 61 36.474 31.155 35.094 1.00 24.89 H new ATOM 0 HB3 SER A 61 37.545 31.412 33.990 1.00 24.89 H new ATOM 0 HG SER A 61 35.495 31.479 33.121 0.09 24.92 H new ATOM 660 N GLY A 62 38.523 28.438 32.423 1.00 25.57 N ATOM 661 CA GLY A 62 39.741 28.149 31.562 1.00 25.97 C ATOM 662 C GLY A 62 40.622 26.967 32.002 1.00 23.77 C ATOM 663 O GLY A 62 41.824 27.093 32.159 1.00 27.65 O ATOM 0 H GLY A 62 37.774 28.180 32.089 1.00 25.57 H new ATOM 0 HA2 GLY A 62 39.440 27.983 30.655 1.00 25.97 H new ATOM 0 HA3 GLY A 62 40.292 28.947 31.537 1.00 25.97 H new ATOM 667 N ILE A 63 39.987 25.849 32.178 1.00 19.54 N ATOM 668 CA ILE A 63 40.703 24.630 32.607 1.00 18.69 C ATOM 669 C ILE A 63 40.936 23.673 31.434 1.00 16.73 C ATOM 670 O ILE A 63 40.083 23.499 30.579 1.00 12.91 O ATOM 671 CB ILE A 63 39.835 23.898 33.725 1.00 19.13 C ATOM 672 CG1 ILE A 63 39.635 24.801 34.995 1.00 22.81 C ATOM 673 CG2 ILE A 63 40.478 22.590 34.157 1.00 21.38 C ATOM 674 CD1 ILE A 63 38.656 24.135 36.007 1.00 24.56 C ATOM 0 H ILE A 63 39.141 25.748 32.061 1.00 19.54 H new ATOM 0 HA ILE A 63 41.570 24.886 32.958 1.00 18.69 H new ATOM 0 HB ILE A 63 38.971 23.719 33.323 1.00 19.13 H new ATOM 0 HG12 ILE A 63 40.491 24.956 35.423 1.00 22.81 H new ATOM 0 HG13 ILE A 63 39.290 25.667 34.729 1.00 22.81 H new ATOM 0 HG21 ILE A 63 39.929 22.168 34.836 1.00 21.38 H new ATOM 0 HG22 ILE A 63 40.556 21.999 33.392 1.00 21.38 H new ATOM 0 HG23 ILE A 63 41.360 22.767 34.519 1.00 21.38 H new ATOM 0 HD11 ILE A 63 38.549 24.710 36.781 1.00 24.56 H new ATOM 0 HD12 ILE A 63 37.794 24.001 35.583 1.00 24.56 H new ATOM 0 HD13 ILE A 63 39.014 23.279 36.289 1.00 24.56 H new ATOM 686 N GLN A 64 42.107 23.097 31.445 1.00 16.51 N ATOM 687 CA GLN A 64 42.504 22.121 30.430 1.00 15.56 C ATOM 688 C GLN A 64 42.819 20.933 31.365 1.00 15.32 C ATOM 689 O GLN A 64 43.505 21.044 32.379 1.00 11.55 O ATOM 690 CB GLN A 64 43.756 22.502 29.668 1.00 15.29 C ATOM 691 CG GLN A 64 44.059 21.352 28.695 1.00 17.44 C ATOM 692 CD GLN A 64 45.389 21.666 28.025 1.00 19.76 C ATOM 693 OE1 GLN A 64 46.398 21.745 28.697 1.00 19.40 O ATOM 694 NE2 GLN A 64 45.433 21.850 26.739 1.00 19.28 N ATOM 0 H GLN A 64 42.709 23.252 32.039 1.00 16.51 H new ATOM 0 HA GLN A 64 41.841 21.990 29.735 1.00 15.56 H new ATOM 0 HB2 GLN A 64 43.624 23.333 29.186 1.00 15.29 H new ATOM 0 HB3 GLN A 64 44.499 22.641 30.276 1.00 15.29 H new ATOM 0 HG2 GLN A 64 44.106 20.507 29.168 1.00 17.44 H new ATOM 0 HG3 GLN A 64 43.354 21.268 28.034 1.00 17.44 H new ATOM 0 HE21 GLN A 64 44.714 21.792 26.271 1.00 19.28 H new ATOM 0 HE22 GLN A 64 46.182 22.030 26.356 1.00 19.28 H new ATOM 703 N VAL A 65 42.295 19.817 30.971 1.00 15.43 N ATOM 704 CA VAL A 65 42.452 18.550 31.712 1.00 15.59 C ATOM 705 C VAL A 65 43.585 17.809 31.001 1.00 15.33 C ATOM 706 O VAL A 65 43.617 17.719 29.791 1.00 14.65 O ATOM 707 CB VAL A 65 41.104 17.797 31.611 1.00 14.30 C ATOM 708 CG1 VAL A 65 41.181 16.443 32.311 1.00 15.41 C ATOM 709 CG2 VAL A 65 39.977 18.622 32.297 1.00 14.84 C ATOM 0 H VAL A 65 41.824 19.744 30.255 1.00 15.43 H new ATOM 0 HA VAL A 65 42.667 18.653 32.652 1.00 15.59 H new ATOM 0 HB VAL A 65 40.911 17.670 30.669 1.00 14.30 H new ATOM 0 HG11 VAL A 65 40.327 15.990 32.235 1.00 15.41 H new ATOM 0 HG12 VAL A 65 41.871 15.903 31.896 1.00 15.41 H new ATOM 0 HG13 VAL A 65 41.394 16.575 33.248 1.00 15.41 H new ATOM 0 HG21 VAL A 65 39.137 18.142 32.228 1.00 14.84 H new ATOM 0 HG22 VAL A 65 40.197 18.756 33.232 1.00 14.84 H new ATOM 0 HG23 VAL A 65 39.894 19.483 31.859 1.00 14.84 H new ATOM 719 N ARG A 66 44.478 17.305 31.784 1.00 14.34 N ATOM 720 CA ARG A 66 45.623 16.565 31.240 1.00 14.21 C ATOM 721 C ARG A 66 45.548 15.191 31.907 1.00 16.09 C ATOM 722 O ARG A 66 45.628 15.088 33.132 1.00 14.29 O ATOM 723 CB ARG A 66 46.943 17.301 31.597 1.00 12.50 C ATOM 724 CG ARG A 66 46.894 18.696 30.935 1.00 13.39 C ATOM 725 CD ARG A 66 48.258 19.401 31.102 1.00 11.57 C ATOM 726 NE ARG A 66 48.293 20.684 30.325 1.00 13.22 N ATOM 727 CZ ARG A 66 49.358 20.990 29.623 1.00 15.31 C ATOM 728 NH1 ARG A 66 50.527 20.505 29.962 1.00 15.47 N ATOM 729 NH2 ARG A 66 49.243 21.754 28.572 1.00 16.54 N ATOM 0 H ARG A 66 44.463 17.367 32.642 1.00 14.34 H new ATOM 0 HA ARG A 66 45.603 16.491 30.273 1.00 14.21 H new ATOM 0 HB2 ARG A 66 47.038 17.383 32.559 1.00 12.50 H new ATOM 0 HB3 ARG A 66 47.710 16.799 31.278 1.00 12.50 H new ATOM 0 HG2 ARG A 66 46.678 18.609 29.993 1.00 13.39 H new ATOM 0 HG3 ARG A 66 46.192 19.231 31.339 1.00 13.39 H new ATOM 0 HD2 ARG A 66 48.420 19.582 32.041 1.00 11.57 H new ATOM 0 HD3 ARG A 66 48.969 18.815 30.799 1.00 11.57 H new ATOM 0 HE ARG A 66 47.618 21.216 30.340 1.00 13.22 H new ATOM 0 HH11 ARG A 66 50.596 19.986 30.644 1.00 15.47 H new ATOM 0 HH12 ARG A 66 51.225 20.705 29.502 1.00 15.47 H new ATOM 0 HH21 ARG A 66 48.471 22.055 28.342 1.00 16.54 H new ATOM 0 HH22 ARG A 66 49.939 21.957 28.109 1.00 16.54 H new ATOM 743 N LEU A 67 45.395 14.253 31.011 1.00 13.48 N ATOM 744 CA LEU A 67 45.291 12.798 31.289 1.00 14.56 C ATOM 745 C LEU A 67 46.654 12.146 30.852 1.00 14.18 C ATOM 746 O LEU A 67 47.401 12.687 30.050 1.00 17.89 O ATOM 747 CB ALEU A 67 44.178 12.164 30.423 0.59 15.86 C ATOM 748 CB BLEU A 67 44.160 12.143 30.453 0.48 14.74 C ATOM 749 CG ALEU A 67 42.868 12.991 30.388 0.59 17.38 C ATOM 750 CG BLEU A 67 42.757 12.799 30.622 0.48 16.10 C ATOM 751 CD1ALEU A 67 41.913 12.445 29.297 0.59 18.81 C ATOM 752 CD1BLEU A 67 42.604 14.068 29.735 0.48 16.82 C ATOM 753 CD2ALEU A 67 42.180 12.895 31.763 0.59 18.10 C ATOM 754 CD2BLEU A 67 41.673 11.778 30.224 0.48 15.99 C ATOM 0 H LEU A 67 45.343 14.432 30.171 1.00 13.48 H new ATOM 0 HA LEU A 67 45.092 12.656 32.228 1.00 14.56 H new ATOM 0 HB2ALEU A 67 44.507 12.055 29.517 0.59 14.74 H new ATOM 0 HB2BLEU A 67 44.408 12.176 29.516 0.48 14.74 H new ATOM 0 HB3ALEU A 67 43.982 11.277 30.762 0.59 14.74 H new ATOM 0 HB3BLEU A 67 44.096 11.206 30.697 0.48 14.74 H new ATOM 0 HG ALEU A 67 43.080 13.915 30.182 0.59 16.10 H new ATOM 0 HG BLEU A 67 42.659 13.064 31.550 0.48 16.10 H new ATOM 0 HD11ALEU A 67 41.098 12.972 29.287 0.59 16.82 H new ATOM 0 HD11BLEU A 67 41.722 14.449 29.865 0.48 16.82 H new ATOM 0 HD12ALEU A 67 42.345 12.502 28.430 0.59 16.82 H new ATOM 0 HD12BLEU A 67 43.277 14.720 29.984 0.48 16.82 H new ATOM 0 HD13ALEU A 67 41.697 11.519 29.490 0.59 16.82 H new ATOM 0 HD13BLEU A 67 42.717 13.827 28.802 0.48 16.82 H new ATOM 0 HD21ALEU A 67 41.358 13.410 31.751 0.59 15.99 H new ATOM 0 HD21BLEU A 67 40.796 12.180 30.327 0.48 15.99 H new ATOM 0 HD22ALEU A 67 41.976 11.967 31.959 0.59 15.99 H new ATOM 0 HD22BLEU A 67 41.801 11.514 29.299 0.48 15.99 H new ATOM 0 HD23ALEU A 67 42.772 13.247 32.446 0.59 15.99 H new ATOM 0 HD23BLEU A 67 41.739 10.997 30.795 0.48 15.99 H new ATOM 775 N GLY A 69 46.899 10.982 31.396 1.00 13.98 N ATOM 776 CA GLY A 69 48.133 10.183 31.102 1.00 14.04 C ATOM 777 C GLY A 69 49.449 10.790 31.501 1.00 13.36 C ATOM 778 O GLY A 69 50.512 10.498 30.968 1.00 13.80 O ATOM 0 H GLY A 69 46.367 10.603 31.956 1.00 13.98 H new ATOM 0 HA2 GLY A 69 48.050 9.325 31.546 1.00 14.04 H new ATOM 0 HA3 GLY A 69 48.159 10.007 30.148 1.00 14.04 H new ATOM 782 N GLU A 70 49.353 11.623 32.466 1.00 15.91 N ATOM 783 CA GLU A 70 50.553 12.315 32.971 1.00 16.26 C ATOM 784 C GLU A 70 51.282 11.582 34.054 1.00 14.19 C ATOM 785 O GLU A 70 50.696 10.817 34.795 1.00 12.73 O ATOM 786 CB GLU A 70 50.201 13.708 33.641 1.00 14.61 C ATOM 787 CG GLU A 70 49.720 14.790 32.639 1.00 15.43 C ATOM 788 CD GLU A 70 50.945 15.431 31.989 1.00 14.92 C ATOM 789 OE1 GLU A 70 51.928 14.729 31.943 1.00 15.69 O ATOM 790 OE2 GLU A 70 50.852 16.560 31.569 1.00 17.42 O ATOM 0 H GLU A 70 48.619 11.826 32.866 1.00 15.91 H new ATOM 0 HA GLU A 70 51.098 12.395 32.173 1.00 16.26 H new ATOM 0 HB2 GLU A 70 49.511 13.570 34.308 1.00 14.61 H new ATOM 0 HB3 GLU A 70 50.985 14.039 34.108 1.00 14.61 H new ATOM 0 HG2 GLU A 70 49.149 14.393 31.963 1.00 15.43 H new ATOM 0 HG3 GLU A 70 49.192 15.462 33.097 1.00 15.43 H new ATOM 797 N ASP A 71 52.561 11.865 34.072 1.00 14.18 N ATOM 798 CA ASP A 71 53.418 11.288 35.116 1.00 15.22 C ATOM 799 C ASP A 71 54.228 12.557 35.400 1.00 15.29 C ATOM 800 O ASP A 71 53.936 13.255 36.351 1.00 14.07 O ATOM 801 CB ASP A 71 54.362 10.121 34.709 1.00 12.73 C ATOM 802 CG ASP A 71 55.079 9.724 36.033 1.00 17.31 C ATOM 803 OD1 ASP A 71 54.498 9.760 37.104 1.00 16.98 O ATOM 804 OD2 ASP A 71 56.227 9.372 35.978 1.00 20.54 O ATOM 0 H ASP A 71 52.961 12.377 33.508 1.00 14.18 H new ATOM 0 HA ASP A 71 52.918 10.861 35.829 1.00 15.22 H new ATOM 0 HB2 ASP A 71 53.864 9.375 34.339 1.00 12.73 H new ATOM 0 HB3 ASP A 71 54.998 10.400 34.032 1.00 12.73 H new ATOM 809 N ASN A 72 55.201 12.893 34.600 1.00 12.88 N ATOM 810 CA ASN A 72 55.986 14.125 34.875 1.00 12.81 C ATOM 811 C ASN A 72 55.132 15.248 34.276 1.00 11.54 C ATOM 812 O ASN A 72 54.903 15.209 33.076 1.00 9.02 O ATOM 813 CB ASN A 72 57.351 14.005 34.171 1.00 13.78 C ATOM 814 CG ASN A 72 58.206 15.225 34.525 1.00 16.62 C ATOM 815 OD1 ASN A 72 57.722 16.347 34.479 1.00 16.10 O ATOM 816 ND2 ASN A 72 59.457 15.054 34.871 1.00 15.92 N ATOM 0 H ASN A 72 55.440 12.452 33.902 1.00 12.88 H new ATOM 0 HA ASN A 72 56.167 14.283 35.815 1.00 12.81 H new ATOM 0 HB2 ASN A 72 57.800 13.190 34.447 1.00 13.78 H new ATOM 0 HB3 ASN A 72 57.228 13.950 33.210 1.00 13.78 H new ATOM 0 HD21 ASN A 72 59.945 15.734 35.068 1.00 15.92 H new ATOM 0 HD22 ASN A 72 59.790 14.262 34.901 1.00 15.92 H new ATOM 823 N ILE A 73 54.666 16.209 35.004 1.00 11.72 N ATOM 824 CA ILE A 73 53.817 17.283 34.383 1.00 12.23 C ATOM 825 C ILE A 73 54.582 18.383 33.649 1.00 13.24 C ATOM 826 O ILE A 73 53.955 19.267 33.101 1.00 13.24 O ATOM 827 CB ILE A 73 52.908 17.895 35.490 1.00 13.05 C ATOM 828 CG1 ILE A 73 53.744 18.308 36.742 1.00 15.44 C ATOM 829 CG2 ILE A 73 51.829 16.861 35.857 1.00 13.67 C ATOM 830 CD1 ILE A 73 52.880 19.153 37.701 1.00 16.40 C ATOM 0 H ILE A 73 54.803 16.294 35.849 1.00 11.72 H new ATOM 0 HA ILE A 73 53.296 16.852 33.687 1.00 12.23 H new ATOM 0 HB ILE A 73 52.486 18.703 35.157 1.00 13.05 H new ATOM 0 HG12 ILE A 73 54.067 17.516 37.199 1.00 15.44 H new ATOM 0 HG13 ILE A 73 54.524 18.815 36.466 1.00 15.44 H new ATOM 0 HG21 ILE A 73 51.252 17.226 36.547 1.00 13.67 H new ATOM 0 HG22 ILE A 73 51.300 16.652 35.071 1.00 13.67 H new ATOM 0 HG23 ILE A 73 52.253 16.053 36.185 1.00 13.67 H new ATOM 0 HD11 ILE A 73 53.407 19.405 38.475 1.00 16.40 H new ATOM 0 HD12 ILE A 73 52.576 19.953 37.244 1.00 16.40 H new ATOM 0 HD13 ILE A 73 52.113 18.634 37.988 1.00 16.40 H new ATOM 842 N ASN A 74 55.880 18.278 33.644 1.00 13.94 N ATOM 843 CA ASN A 74 56.749 19.263 32.957 1.00 14.31 C ATOM 844 C ASN A 74 57.400 18.669 31.708 1.00 13.95 C ATOM 845 O ASN A 74 58.072 19.371 30.975 1.00 17.60 O ATOM 846 CB ASN A 74 57.854 19.758 33.926 1.00 12.53 C ATOM 847 CG ASN A 74 57.309 20.917 34.741 1.00 14.13 C ATOM 848 OD1 ASN A 74 56.553 21.754 34.273 1.00 12.73 O ATOM 849 ND2 ASN A 74 57.657 21.033 35.981 1.00 15.79 N ATOM 0 H ASN A 74 56.308 17.641 34.032 1.00 13.94 H new ATOM 0 HA ASN A 74 56.190 20.006 32.682 1.00 14.31 H new ATOM 0 HB2 ASN A 74 58.134 19.038 34.512 1.00 12.53 H new ATOM 0 HB3 ASN A 74 58.637 20.038 33.427 1.00 12.53 H new ATOM 0 HD21 ASN A 74 57.357 21.687 36.452 1.00 15.79 H new ATOM 0 HD22 ASN A 74 58.188 20.456 36.334 1.00 15.79 H new ATOM 856 N VAL A 75 57.198 17.395 31.496 1.00 13.21 N ATOM 857 CA VAL A 75 57.791 16.722 30.290 1.00 12.47 C ATOM 858 C VAL A 75 56.757 15.997 29.490 1.00 12.18 C ATOM 859 O VAL A 75 56.000 15.272 30.092 1.00 11.53 O ATOM 860 CB VAL A 75 58.860 15.667 30.701 1.00 14.64 C ATOM 861 CG1 VAL A 75 59.487 15.016 29.423 1.00 15.78 C ATOM 862 CG2 VAL A 75 59.965 16.340 31.547 1.00 13.46 C ATOM 0 H VAL A 75 56.735 16.882 32.008 1.00 13.21 H new ATOM 0 HA VAL A 75 58.188 17.432 29.762 1.00 12.47 H new ATOM 0 HB VAL A 75 58.434 14.975 31.230 1.00 14.64 H new ATOM 0 HG11 VAL A 75 60.152 14.360 29.686 1.00 15.78 H new ATOM 0 HG12 VAL A 75 58.791 14.581 28.907 1.00 15.78 H new ATOM 0 HG13 VAL A 75 59.908 15.703 28.883 1.00 15.78 H new ATOM 0 HG21 VAL A 75 60.628 15.678 31.800 1.00 13.46 H new ATOM 0 HG22 VAL A 75 60.390 17.040 31.027 1.00 13.46 H new ATOM 0 HG23 VAL A 75 59.572 16.725 32.346 1.00 13.46 H new ATOM 872 N VAL A 76 56.651 16.118 28.220 1.00 14.32 N ATOM 873 CA VAL A 76 55.630 15.368 27.441 1.00 16.93 C ATOM 874 C VAL A 76 56.394 14.029 27.255 1.00 18.09 C ATOM 875 O VAL A 76 57.366 13.957 26.540 1.00 18.70 O ATOM 876 CB VAL A 76 55.372 16.111 26.112 1.00 16.76 C ATOM 877 CG1 VAL A 76 54.447 15.299 25.156 1.00 17.88 C ATOM 878 CG2 VAL A 76 54.705 17.454 26.462 1.00 18.43 C ATOM 0 H VAL A 76 57.153 16.630 27.745 1.00 14.32 H new ATOM 0 HA VAL A 76 54.751 15.261 27.838 1.00 16.93 H new ATOM 0 HB VAL A 76 56.214 16.238 25.647 1.00 16.76 H new ATOM 0 HG11 VAL A 76 54.310 15.799 24.336 1.00 17.88 H new ATOM 0 HG12 VAL A 76 54.862 14.447 24.950 1.00 17.88 H new ATOM 0 HG13 VAL A 76 53.592 15.145 25.587 1.00 17.88 H new ATOM 0 HG21 VAL A 76 54.528 17.950 25.647 1.00 18.43 H new ATOM 0 HG22 VAL A 76 53.870 17.289 26.928 1.00 18.43 H new ATOM 0 HG23 VAL A 76 55.296 17.970 27.032 1.00 18.43 H new ATOM 888 N GLU A 77 55.909 13.000 27.907 1.00 19.18 N ATOM 889 CA GLU A 77 56.544 11.654 27.842 1.00 19.98 C ATOM 890 C GLU A 77 55.891 10.767 26.851 1.00 21.94 C ATOM 891 O GLU A 77 56.333 9.656 26.704 1.00 22.52 O ATOM 892 CB GLU A 77 56.502 10.985 29.248 1.00 19.18 C ATOM 893 CG GLU A 77 57.374 11.860 30.185 1.00 19.17 C ATOM 894 CD GLU A 77 57.440 11.371 31.633 1.00 22.09 C ATOM 895 OE1 GLU A 77 56.465 11.487 32.346 1.00 20.15 O ATOM 896 OE2 GLU A 77 58.500 10.897 31.970 1.00 22.53 O ATOM 0 H GLU A 77 55.208 13.036 28.404 1.00 19.18 H new ATOM 0 HA GLU A 77 57.462 11.782 27.557 1.00 19.98 H new ATOM 0 HB2 GLU A 77 55.591 10.931 29.577 1.00 19.18 H new ATOM 0 HB3 GLU A 77 56.843 10.078 29.208 1.00 19.18 H new ATOM 0 HG2 GLU A 77 58.275 11.898 29.827 1.00 19.17 H new ATOM 0 HG3 GLU A 77 57.028 12.766 30.177 1.00 19.17 H new ATOM 903 N GLY A 78 54.861 11.258 26.223 1.00 23.53 N ATOM 904 CA GLY A 78 54.177 10.426 25.198 1.00 26.36 C ATOM 905 C GLY A 78 52.812 9.886 25.502 1.00 26.71 C ATOM 906 O GLY A 78 52.087 9.612 24.564 1.00 27.55 O ATOM 0 H GLY A 78 54.529 12.041 26.349 1.00 23.53 H new ATOM 0 HA2 GLY A 78 54.110 10.954 24.387 1.00 26.36 H new ATOM 0 HA3 GLY A 78 54.754 9.672 24.999 1.00 26.36 H new ATOM 910 N ASN A 79 52.459 9.750 26.741 1.00 20.65 N ATOM 911 CA ASN A 79 51.087 9.185 27.024 1.00 22.49 C ATOM 912 C ASN A 79 50.026 10.203 27.400 1.00 21.30 C ATOM 913 O ASN A 79 48.963 9.844 27.872 1.00 21.96 O ATOM 914 CB ASN A 79 51.224 8.169 28.179 1.00 23.34 C ATOM 915 CG ASN A 79 52.191 7.107 27.704 1.00 26.11 C ATOM 916 OD1 ASN A 79 51.867 6.306 26.851 1.00 28.83 O ATOM 917 ND2 ASN A 79 53.386 7.047 28.194 1.00 26.29 N ATOM 0 H ASN A 79 52.936 9.953 27.427 1.00 20.65 H new ATOM 0 HA ASN A 79 50.781 8.788 26.194 1.00 22.49 H new ATOM 0 HB2 ASN A 79 51.554 8.602 28.982 1.00 23.34 H new ATOM 0 HB3 ASN A 79 50.364 7.779 28.400 1.00 23.34 H new ATOM 0 HD21 ASN A 79 53.936 6.447 27.915 1.00 26.29 H new ATOM 0 HD22 ASN A 79 53.631 7.607 28.799 1.00 26.29 H new ATOM 924 N GLU A 80 50.283 11.444 27.163 1.00 19.14 N ATOM 925 CA GLU A 80 49.253 12.443 27.567 1.00 17.59 C ATOM 926 C GLU A 80 48.175 12.770 26.586 1.00 17.13 C ATOM 927 O GLU A 80 48.314 12.558 25.392 1.00 16.59 O ATOM 928 CB GLU A 80 49.883 13.811 27.901 1.00 16.08 C ATOM 929 CG GLU A 80 51.030 13.739 28.915 1.00 17.66 C ATOM 930 CD GLU A 80 52.446 13.470 28.309 1.00 16.46 C ATOM 931 OE1 GLU A 80 52.682 12.944 27.242 1.00 14.19 O ATOM 932 OE2 GLU A 80 53.318 13.836 29.032 1.00 14.73 O ATOM 0 H GLU A 80 50.994 11.754 26.793 1.00 19.14 H new ATOM 0 HA GLU A 80 48.853 11.982 28.321 1.00 17.59 H new ATOM 0 HB2 GLU A 80 50.212 14.213 27.082 1.00 16.08 H new ATOM 0 HB3 GLU A 80 49.193 14.398 28.248 1.00 16.08 H new ATOM 0 HG2 GLU A 80 51.059 14.574 29.407 1.00 17.66 H new ATOM 0 HG3 GLU A 80 50.831 13.039 29.556 1.00 17.66 H new ATOM 939 N GLN A 81 47.118 13.284 27.155 1.00 16.53 N ATOM 940 CA GLN A 81 45.936 13.730 26.381 1.00 16.33 C ATOM 941 C GLN A 81 45.592 15.037 27.141 1.00 15.44 C ATOM 942 O GLN A 81 45.376 15.032 28.340 1.00 12.93 O ATOM 943 CB GLN A 81 44.740 12.742 26.443 1.00 16.43 C ATOM 944 CG GLN A 81 45.059 11.496 25.654 1.00 18.03 C ATOM 945 CD GLN A 81 43.893 10.537 25.790 1.00 20.12 C ATOM 946 OE1 GLN A 81 42.776 10.873 25.450 1.00 18.78 O ATOM 947 NE2 GLN A 81 44.103 9.351 26.280 1.00 21.10 N ATOM 0 H GLN A 81 47.042 13.395 28.004 1.00 16.53 H new ATOM 0 HA GLN A 81 46.112 13.815 25.431 1.00 16.33 H new ATOM 0 HB2 GLN A 81 44.550 12.510 27.365 1.00 16.43 H new ATOM 0 HB3 GLN A 81 43.943 13.164 26.087 1.00 16.43 H new ATOM 0 HG2 GLN A 81 45.209 11.716 24.721 1.00 18.03 H new ATOM 0 HG3 GLN A 81 45.874 11.086 25.984 1.00 18.03 H new ATOM 0 HE21 GLN A 81 44.896 9.119 26.519 1.00 21.10 H new ATOM 0 HE22 GLN A 81 43.449 8.799 26.365 1.00 21.10 H new ATOM 956 N PHE A 82 45.583 16.118 26.417 1.00 11.60 N ATOM 957 CA PHE A 82 45.266 17.480 26.958 1.00 14.50 C ATOM 958 C PHE A 82 43.896 17.821 26.304 1.00 16.18 C ATOM 959 O PHE A 82 43.833 17.953 25.091 1.00 19.35 O ATOM 960 CB PHE A 82 46.352 18.458 26.498 1.00 16.74 C ATOM 961 CG PHE A 82 47.736 18.172 27.107 1.00 16.89 C ATOM 962 CD1 PHE A 82 48.837 18.812 26.608 1.00 18.05 C ATOM 963 CD2 PHE A 82 47.926 17.305 28.156 1.00 20.09 C ATOM 964 CE1 PHE A 82 50.085 18.602 27.133 1.00 18.42 C ATOM 965 CE2 PHE A 82 49.174 17.096 28.675 1.00 19.72 C ATOM 966 CZ PHE A 82 50.258 17.743 28.168 1.00 18.74 C ATOM 0 H PHE A 82 45.760 16.117 25.575 1.00 11.60 H new ATOM 0 HA PHE A 82 45.230 17.526 27.926 1.00 14.50 H new ATOM 0 HB2 PHE A 82 46.419 18.424 25.531 1.00 16.74 H new ATOM 0 HB3 PHE A 82 46.084 19.360 26.732 1.00 16.74 H new ATOM 0 HD1 PHE A 82 48.736 19.403 25.897 1.00 18.05 H new ATOM 0 HD2 PHE A 82 47.197 16.855 28.518 1.00 20.09 H new ATOM 0 HE1 PHE A 82 50.818 19.051 26.778 1.00 18.42 H new ATOM 0 HE2 PHE A 82 49.283 16.504 29.384 1.00 19.72 H new ATOM 0 HZ PHE A 82 51.104 17.598 28.526 1.00 18.74 H new ATOM 976 N ILE A 83 42.850 17.945 27.076 1.00 14.14 N ATOM 977 CA ILE A 83 41.500 18.253 26.570 1.00 14.66 C ATOM 978 C ILE A 83 40.888 19.397 27.402 1.00 14.22 C ATOM 979 O ILE A 83 40.944 19.387 28.619 1.00 12.88 O ATOM 980 CB ILE A 83 40.668 16.939 26.689 1.00 16.90 C ATOM 981 CG1 ILE A 83 41.389 15.745 26.001 1.00 16.23 C ATOM 982 CG2 ILE A 83 39.331 17.163 25.973 1.00 19.93 C ATOM 983 CD1 ILE A 83 40.695 14.445 26.364 1.00 16.73 C ATOM 0 H ILE A 83 42.885 17.854 27.930 1.00 14.14 H new ATOM 0 HA ILE A 83 41.514 18.550 25.647 1.00 14.66 H new ATOM 0 HB ILE A 83 40.549 16.729 27.628 1.00 16.90 H new ATOM 0 HG12 ILE A 83 41.385 15.865 25.039 1.00 16.23 H new ATOM 0 HG13 ILE A 83 42.318 15.714 26.279 1.00 16.23 H new ATOM 0 HG21 ILE A 83 38.793 16.358 26.033 1.00 19.93 H new ATOM 0 HG22 ILE A 83 38.858 17.899 26.392 1.00 19.93 H new ATOM 0 HG23 ILE A 83 39.494 17.374 25.040 1.00 19.93 H new ATOM 0 HD11 ILE A 83 41.149 13.704 25.932 1.00 16.73 H new ATOM 0 HD12 ILE A 83 40.720 14.322 27.326 1.00 16.73 H new ATOM 0 HD13 ILE A 83 39.772 14.476 26.066 1.00 16.73 H new ATOM 995 N SER A 84 40.310 20.347 26.734 1.00 14.34 N ATOM 996 CA SER A 84 39.699 21.485 27.442 1.00 16.80 C ATOM 997 C SER A 84 38.358 21.082 27.994 1.00 14.85 C ATOM 998 O SER A 84 37.691 20.202 27.487 1.00 14.83 O ATOM 999 CB SER A 84 39.502 22.642 26.464 1.00 22.72 C ATOM 1000 OG SER A 84 40.800 23.184 26.267 1.00 28.76 O ATOM 0 H SER A 84 40.248 20.375 25.877 1.00 14.34 H new ATOM 0 HA SER A 84 40.282 21.757 28.168 1.00 16.80 H new ATOM 0 HB2 SER A 84 39.120 22.333 25.628 1.00 22.72 H new ATOM 0 HB3 SER A 84 38.895 23.307 26.825 1.00 22.72 H new ATOM 0 HG SER A 84 40.756 23.830 25.732 1.00 28.76 H new ATOM 1006 N ALA A 85 38.002 21.770 29.027 1.00 14.34 N ATOM 1007 CA ALA A 85 36.704 21.510 29.692 1.00 14.42 C ATOM 1008 C ALA A 85 35.628 22.277 28.887 1.00 16.12 C ATOM 1009 O ALA A 85 35.913 23.371 28.437 1.00 16.79 O ATOM 1010 CB ALA A 85 36.783 22.041 31.116 1.00 13.73 C ATOM 0 H ALA A 85 38.473 22.396 29.382 1.00 14.34 H new ATOM 0 HA ALA A 85 36.488 20.565 29.723 1.00 14.42 H new ATOM 0 HB1 ALA A 85 35.941 21.880 31.569 1.00 13.73 H new ATOM 0 HB2 ALA A 85 37.497 21.588 31.591 1.00 13.73 H new ATOM 0 HB3 ALA A 85 36.962 22.994 31.097 1.00 13.73 H new ATOM 1016 N SER A 86 34.454 21.729 28.723 1.00 16.99 N ATOM 1017 CA SER A 86 33.364 22.431 27.951 1.00 16.04 C ATOM 1018 C SER A 86 32.434 23.082 28.978 1.00 15.98 C ATOM 1019 O SER A 86 31.767 24.058 28.649 1.00 16.90 O ATOM 1020 CB SER A 86 32.546 21.437 27.053 1.00 17.68 C ATOM 1021 OG SER A 86 32.160 20.284 27.815 1.00 18.80 O ATOM 0 H SER A 86 34.233 20.958 29.034 1.00 16.99 H new ATOM 0 HA SER A 86 33.760 23.087 27.356 1.00 16.04 H new ATOM 0 HB2 SER A 86 31.757 21.881 26.703 1.00 17.68 H new ATOM 0 HB3 SER A 86 33.080 21.165 26.290 1.00 17.68 H new ATOM 0 HG SER A 86 31.722 19.759 27.327 1.00 18.80 H new ATOM 1027 N LYS A 87 32.336 22.391 30.158 1.00 14.19 N ATOM 1028 CA LYS A 87 31.483 22.917 31.290 1.00 14.74 C ATOM 1029 C LYS A 87 31.943 22.400 32.670 1.00 15.07 C ATOM 1030 O LYS A 87 32.459 21.308 32.766 1.00 12.02 O ATOM 1031 CB ALYS A 87 29.971 22.535 31.071 0.67 16.40 C ATOM 1032 CB BLYS A 87 29.993 22.455 30.977 0.28 16.30 C ATOM 1033 CG ALYS A 87 29.544 21.077 31.105 0.67 18.08 C ATOM 1034 CG BLYS A 87 29.017 22.750 32.145 0.28 17.55 C ATOM 1035 CD ALYS A 87 28.045 21.018 30.644 0.67 19.28 C ATOM 1036 CD BLYS A 87 27.553 22.892 31.667 0.28 19.04 C ATOM 1037 CE ALYS A 87 27.108 22.052 31.396 0.67 20.94 C ATOM 1038 CE BLYS A 87 27.100 21.829 30.679 0.28 20.66 C ATOM 1039 NZ ALYS A 87 25.736 22.055 30.797 0.67 21.80 N ATOM 1040 NZ BLYS A 87 25.646 22.037 30.399 0.28 21.67 N ATOM 0 H LYS A 87 32.736 21.647 30.321 1.00 14.19 H new ATOM 0 HA LYS A 87 31.585 23.882 31.284 1.00 14.74 H new ATOM 0 HB2ALYS A 87 29.454 23.003 31.746 0.67 16.30 H new ATOM 0 HB2BLYS A 87 29.680 22.906 30.177 0.28 16.30 H new ATOM 0 HB3ALYS A 87 29.704 22.894 30.210 0.67 16.30 H new ATOM 0 HB3BLYS A 87 29.986 21.504 30.787 0.28 16.30 H new ATOM 0 HG2ALYS A 87 30.103 20.543 30.519 0.67 17.55 H new ATOM 0 HG2BLYS A 87 29.073 22.036 32.799 0.28 17.55 H new ATOM 0 HG3ALYS A 87 29.641 20.713 31.999 0.67 17.55 H new ATOM 0 HG3BLYS A 87 29.289 23.566 32.593 0.28 17.55 H new ATOM 0 HD2ALYS A 87 28.001 21.188 29.690 0.67 19.04 H new ATOM 0 HD2BLYS A 87 26.969 22.866 32.441 0.28 19.04 H new ATOM 0 HD3ALYS A 87 27.705 20.121 30.788 0.67 19.04 H new ATOM 0 HD3BLYS A 87 27.443 23.764 31.258 0.28 19.04 H new ATOM 0 HE2ALYS A 87 27.055 21.822 32.337 0.67 20.66 H new ATOM 0 HE2BLYS A 87 27.614 21.889 29.859 0.28 20.66 H new ATOM 0 HE3ALYS A 87 27.491 22.941 31.342 0.67 20.66 H new ATOM 0 HE3BLYS A 87 27.250 20.943 31.044 0.28 20.66 H new ATOM 0 HZ1ALYS A 87 25.368 22.859 30.902 0.67 21.67 H new ATOM 0 HZ1BLYS A 87 25.483 21.874 29.539 0.28 21.67 H new ATOM 0 HZ2ALYS A 87 25.790 21.865 29.929 0.67 21.67 H new ATOM 0 HZ2BLYS A 87 25.164 21.483 30.902 0.28 21.67 H new ATOM 0 HZ3ALYS A 87 25.233 21.444 31.204 0.67 21.67 H new ATOM 0 HZ3BLYS A 87 25.424 22.878 30.589 0.28 21.67 H new ATOM 1065 N SER A 88 31.767 23.278 33.665 1.00 13.72 N ATOM 1066 CA SER A 88 32.089 22.901 35.067 1.00 14.70 C ATOM 1067 C SER A 88 30.759 23.078 35.833 1.00 12.58 C ATOM 1068 O SER A 88 30.006 23.994 35.508 1.00 13.60 O ATOM 1069 CB ASER A 88 33.111 23.842 35.686 0.72 15.07 C ATOM 1070 CB BSER A 88 33.206 23.857 35.590 0.20 15.47 C ATOM 1071 OG ASER A 88 34.247 23.558 34.908 0.72 15.89 O ATOM 1072 OG BSER A 88 32.753 25.201 35.450 0.20 15.61 O ATOM 0 H SER A 88 31.470 24.079 33.563 1.00 13.72 H new ATOM 0 HA SER A 88 32.457 22.004 35.103 1.00 14.70 H new ATOM 0 HB2ASER A 88 32.842 24.772 35.617 0.72 15.47 H new ATOM 0 HB2BSER A 88 33.407 23.664 36.519 0.20 15.47 H new ATOM 0 HB3ASER A 88 33.256 23.658 36.627 0.72 15.47 H new ATOM 0 HB3BSER A 88 34.026 23.724 35.089 0.20 15.47 H new ATOM 0 HG ASER A 88 34.890 24.033 35.166 0.72 15.61 H new ATOM 0 HG BSER A 88 33.345 25.727 35.730 0.20 15.61 H new ATOM 1081 N ILE A 89 30.515 22.209 36.794 1.00 11.05 N ATOM 1082 CA ILE A 89 29.296 22.243 37.616 1.00 11.25 C ATOM 1083 C ILE A 89 29.723 22.045 39.047 1.00 12.12 C ATOM 1084 O ILE A 89 30.119 20.963 39.382 1.00 9.49 O ATOM 1085 CB ILE A 89 28.328 21.101 37.200 1.00 12.44 C ATOM 1086 CG1 ILE A 89 28.007 21.208 35.666 1.00 15.19 C ATOM 1087 CG2 ILE A 89 27.029 21.259 38.034 1.00 15.32 C ATOM 1088 CD1 ILE A 89 27.283 19.943 35.176 1.00 17.80 C ATOM 0 H ILE A 89 31.053 21.570 36.999 1.00 11.05 H new ATOM 0 HA ILE A 89 28.832 23.087 37.499 1.00 11.25 H new ATOM 0 HB ILE A 89 28.729 20.233 37.364 1.00 12.44 H new ATOM 0 HG12 ILE A 89 27.455 21.988 35.499 1.00 15.19 H new ATOM 0 HG13 ILE A 89 28.829 21.331 35.166 1.00 15.19 H new ATOM 0 HG21 ILE A 89 26.403 20.557 37.795 1.00 15.32 H new ATOM 0 HG22 ILE A 89 27.241 21.195 38.978 1.00 15.32 H new ATOM 0 HG23 ILE A 89 26.630 22.124 37.851 1.00 15.32 H new ATOM 0 HD11 ILE A 89 27.093 20.025 34.228 1.00 17.80 H new ATOM 0 HD12 ILE A 89 27.847 19.168 35.326 1.00 17.80 H new ATOM 0 HD13 ILE A 89 26.452 19.836 35.664 1.00 17.80 H new ATOM 1100 N VAL A 90 29.633 23.090 39.822 1.00 13.06 N ATOM 1101 CA VAL A 90 30.001 23.037 41.244 1.00 11.69 C ATOM 1102 C VAL A 90 28.701 22.558 41.926 1.00 11.90 C ATOM 1103 O VAL A 90 27.600 22.911 41.535 1.00 12.86 O ATOM 1104 CB VAL A 90 30.420 24.470 41.647 1.00 12.70 C ATOM 1105 CG1 VAL A 90 30.528 24.554 43.130 1.00 12.46 C ATOM 1106 CG2 VAL A 90 31.774 24.823 40.973 1.00 12.10 C ATOM 0 H VAL A 90 29.358 23.860 39.556 1.00 13.06 H new ATOM 0 HA VAL A 90 30.737 22.452 41.482 1.00 11.69 H new ATOM 0 HB VAL A 90 29.753 25.107 41.348 1.00 12.70 H new ATOM 0 HG11 VAL A 90 30.791 25.452 43.385 1.00 12.46 H new ATOM 0 HG12 VAL A 90 29.670 24.343 43.530 1.00 12.46 H new ATOM 0 HG13 VAL A 90 31.194 23.922 43.442 1.00 12.46 H new ATOM 0 HG21 VAL A 90 32.037 25.722 41.226 1.00 12.10 H new ATOM 0 HG22 VAL A 90 32.454 24.194 41.263 1.00 12.10 H new ATOM 0 HG23 VAL A 90 31.678 24.774 40.009 1.00 12.10 H new ATOM 1116 N HIS A 91 28.866 21.759 42.937 1.00 9.62 N ATOM 1117 CA HIS A 91 27.693 21.232 43.669 1.00 13.29 C ATOM 1118 C HIS A 91 26.719 22.369 44.018 1.00 13.71 C ATOM 1119 O HIS A 91 27.163 23.403 44.452 1.00 13.64 O ATOM 1120 CB HIS A 91 28.229 20.541 44.935 1.00 12.86 C ATOM 1121 CG HIS A 91 27.121 19.767 45.585 1.00 14.95 C ATOM 1122 ND1 HIS A 91 26.341 20.221 46.511 1.00 18.90 N ATOM 1123 CD2 HIS A 91 26.681 18.481 45.349 1.00 14.53 C ATOM 1124 CE1 HIS A 91 25.474 19.312 46.841 1.00 17.53 C ATOM 1125 NE2 HIS A 91 25.657 18.216 46.141 1.00 16.07 N ATOM 0 H HIS A 91 29.629 21.496 43.234 1.00 9.62 H new ATOM 0 HA HIS A 91 27.197 20.600 43.126 1.00 13.29 H new ATOM 0 HB2 HIS A 91 28.961 19.947 44.706 1.00 12.86 H new ATOM 0 HB3 HIS A 91 28.581 21.201 45.552 1.00 12.86 H new ATOM 0 HD2 HIS A 91 27.048 17.892 44.729 1.00 14.53 H new ATOM 0 HE1 HIS A 91 24.813 19.422 47.486 1.00 17.53 H new ATOM 0 HE2 HIS A 91 25.208 17.484 46.188 1.00 16.07 H new ATOM 1133 N PRO A 92 25.442 22.203 43.851 1.00 13.04 N ATOM 1134 CA PRO A 92 24.460 23.239 44.253 1.00 13.04 C ATOM 1135 C PRO A 92 24.580 23.753 45.681 1.00 12.91 C ATOM 1136 O PRO A 92 24.251 24.901 45.928 1.00 15.64 O ATOM 1137 CB PRO A 92 23.111 22.589 43.933 1.00 14.67 C ATOM 1138 CG PRO A 92 23.425 21.096 43.901 1.00 15.48 C ATOM 1139 CD PRO A 92 24.783 21.015 43.280 1.00 14.77 C ATOM 0 HA PRO A 92 24.608 24.067 43.770 1.00 13.04 H new ATOM 0 HB2 PRO A 92 22.446 22.799 44.607 1.00 14.67 H new ATOM 0 HB3 PRO A 92 22.760 22.897 43.083 1.00 14.67 H new ATOM 0 HG2 PRO A 92 23.421 20.715 44.793 1.00 15.48 H new ATOM 0 HG3 PRO A 92 22.768 20.608 43.380 1.00 15.48 H new ATOM 0 HD2 PRO A 92 25.243 20.194 43.516 1.00 14.77 H new ATOM 0 HD3 PRO A 92 24.744 21.050 42.311 1.00 14.77 H new ATOM 1147 N SER A 93 25.026 22.927 46.591 1.00 11.67 N ATOM 1148 CA SER A 93 25.159 23.402 48.011 1.00 11.65 C ATOM 1149 C SER A 93 26.595 23.611 48.535 1.00 12.38 C ATOM 1150 O SER A 93 26.863 23.582 49.715 1.00 11.41 O ATOM 1151 CB SER A 93 24.416 22.385 48.907 1.00 15.85 C ATOM 1152 OG SER A 93 23.104 22.297 48.353 1.00 18.27 O ATOM 0 H SER A 93 25.258 22.111 46.449 1.00 11.67 H new ATOM 0 HA SER A 93 24.775 24.292 48.038 1.00 11.65 H new ATOM 0 HB2 SER A 93 24.859 21.522 48.901 1.00 15.85 H new ATOM 0 HB3 SER A 93 24.389 22.683 49.830 1.00 15.85 H new ATOM 0 HG SER A 93 22.647 21.752 48.800 1.00 18.27 H new ATOM 1158 N TYR A 94 27.510 23.843 47.652 1.00 13.24 N ATOM 1159 CA TYR A 94 28.893 24.051 48.086 1.00 11.81 C ATOM 1160 C TYR A 94 28.974 25.363 48.884 1.00 13.71 C ATOM 1161 O TYR A 94 28.477 26.410 48.484 1.00 14.53 O ATOM 1162 CB TYR A 94 29.782 24.132 46.846 1.00 13.24 C ATOM 1163 CG TYR A 94 31.203 24.601 47.211 1.00 11.32 C ATOM 1164 CD1 TYR A 94 31.741 25.727 46.655 1.00 11.59 C ATOM 1165 CD2 TYR A 94 31.961 23.867 48.100 1.00 12.86 C ATOM 1166 CE1 TYR A 94 33.010 26.110 46.982 1.00 12.54 C ATOM 1167 CE2 TYR A 94 33.232 24.251 48.428 1.00 12.47 C ATOM 1168 CZ TYR A 94 33.759 25.373 47.866 1.00 13.01 C ATOM 1169 OH TYR A 94 35.034 25.723 48.196 1.00 15.55 O ATOM 0 H TYR A 94 27.378 23.888 46.803 1.00 13.24 H new ATOM 0 HA TYR A 94 29.190 23.320 48.650 1.00 11.81 H new ATOM 0 HB2 TYR A 94 29.825 23.262 46.418 1.00 13.24 H new ATOM 0 HB3 TYR A 94 29.391 24.745 46.204 1.00 13.24 H new ATOM 0 HD1 TYR A 94 31.243 26.232 46.054 1.00 11.59 H new ATOM 0 HD2 TYR A 94 31.602 23.099 48.482 1.00 12.86 H new ATOM 0 HE1 TYR A 94 33.371 26.878 46.602 1.00 12.54 H new ATOM 0 HE2 TYR A 94 33.732 23.749 49.030 1.00 12.47 H new ATOM 0 HH TYR A 94 35.254 26.414 47.772 1.00 15.55 H new ATOM 1179 N ASN A 95 29.630 25.251 50.000 1.00 12.01 N ATOM 1180 CA ASN A 95 29.815 26.402 50.904 1.00 14.09 C ATOM 1181 C ASN A 95 31.326 26.672 50.971 1.00 13.21 C ATOM 1182 O ASN A 95 32.022 25.921 51.622 1.00 11.69 O ATOM 1183 CB ASN A 95 29.285 26.018 52.261 1.00 15.20 C ATOM 1184 CG ASN A 95 29.393 27.231 53.171 1.00 20.11 C ATOM 1185 OD1 ASN A 95 30.431 27.849 53.315 1.00 20.66 O ATOM 1186 ND2 ASN A 95 28.342 27.624 53.815 1.00 23.35 N ATOM 0 H ASN A 95 29.989 24.520 50.276 1.00 12.01 H new ATOM 0 HA ASN A 95 29.348 27.195 50.598 1.00 14.09 H new ATOM 0 HB2 ASN A 95 28.362 25.726 52.194 1.00 15.20 H new ATOM 0 HB3 ASN A 95 29.792 25.275 52.625 1.00 15.20 H new ATOM 0 HD21 ASN A 95 28.386 28.310 54.332 1.00 23.35 H new ATOM 0 HD22 ASN A 95 27.599 27.200 53.726 1.00 23.35 H new ATOM 1193 N SER A 96 31.811 27.700 50.341 1.00 14.32 N ATOM 1194 CA SER A 96 33.274 27.974 50.382 1.00 16.38 C ATOM 1195 C SER A 96 33.854 28.357 51.750 1.00 16.50 C ATOM 1196 O SER A 96 35.049 28.412 51.934 1.00 19.78 O ATOM 1197 CB SER A 96 33.616 29.111 49.392 1.00 15.80 C ATOM 1198 OG SER A 96 32.964 30.304 49.832 1.00 17.34 O ATOM 0 H SER A 96 31.346 28.260 49.883 1.00 14.32 H new ATOM 0 HA SER A 96 33.680 27.125 50.145 1.00 16.38 H new ATOM 0 HB2 SER A 96 34.576 29.246 49.352 1.00 15.80 H new ATOM 0 HB3 SER A 96 33.325 28.878 48.497 1.00 15.80 H new ATOM 0 HG SER A 96 33.142 30.932 49.304 1.00 17.34 H new ATOM 1204 N ASN A 97 33.021 28.617 52.686 1.00 15.13 N ATOM 1205 CA ASN A 97 33.565 28.995 54.000 1.00 18.62 C ATOM 1206 C ASN A 97 33.761 27.773 54.838 1.00 17.64 C ATOM 1207 O ASN A 97 34.709 27.733 55.583 1.00 21.37 O ATOM 1208 CB ASN A 97 32.582 29.957 54.701 1.00 22.59 C ATOM 1209 CG ASN A 97 32.651 31.352 54.045 1.00 26.38 C ATOM 1210 OD1 ASN A 97 31.643 32.011 53.876 1.00 32.59 O ATOM 1211 ND2 ASN A 97 33.783 31.869 53.650 1.00 28.22 N ATOM 0 H ASN A 97 32.164 28.592 52.621 1.00 15.13 H new ATOM 0 HA ASN A 97 34.421 29.436 53.881 1.00 18.62 H new ATOM 0 HB2 ASN A 97 31.679 29.608 54.642 1.00 22.59 H new ATOM 0 HB3 ASN A 97 32.800 30.024 55.644 1.00 22.59 H new ATOM 0 HD21 ASN A 97 33.796 32.648 53.286 1.00 28.22 H new ATOM 0 HD22 ASN A 97 34.515 31.431 53.754 1.00 28.22 H new ATOM 1218 N THR A 98 32.916 26.801 54.731 1.00 14.73 N ATOM 1219 CA THR A 98 33.095 25.576 55.568 1.00 14.17 C ATOM 1220 C THR A 98 33.630 24.366 54.774 1.00 14.69 C ATOM 1221 O THR A 98 34.060 23.380 55.358 1.00 15.59 O ATOM 1222 CB THR A 98 31.739 25.240 56.164 1.00 12.08 C ATOM 1223 OG1 THR A 98 30.928 24.995 55.016 1.00 15.62 O ATOM 1224 CG2 THR A 98 31.048 26.416 56.917 1.00 12.18 C ATOM 0 H THR A 98 32.236 26.793 54.204 1.00 14.73 H new ATOM 0 HA THR A 98 33.760 25.761 56.249 1.00 14.17 H new ATOM 0 HB THR A 98 31.846 24.519 56.804 1.00 12.08 H new ATOM 0 HG1 THR A 98 30.149 24.798 55.260 1.00 15.62 H new ATOM 0 HG21 THR A 98 30.192 26.120 57.265 1.00 12.18 H new ATOM 0 HG22 THR A 98 31.612 26.706 57.651 1.00 12.18 H new ATOM 0 HG23 THR A 98 30.909 27.155 56.305 1.00 12.18 H new ATOM 1232 N LEU A 99 33.549 24.515 53.485 1.00 11.90 N ATOM 1233 CA LEU A 99 33.968 23.535 52.432 1.00 15.05 C ATOM 1234 C LEU A 99 33.020 22.339 52.428 1.00 14.28 C ATOM 1235 O LEU A 99 33.357 21.248 51.982 1.00 13.03 O ATOM 1236 CB LEU A 99 35.438 22.993 52.614 1.00 17.45 C ATOM 1237 CG LEU A 99 36.485 24.082 52.251 1.00 22.03 C ATOM 1238 CD1 LEU A 99 37.823 23.428 51.878 1.00 24.78 C ATOM 1239 CD2 LEU A 99 36.058 24.940 51.054 1.00 24.33 C ATOM 0 H LEU A 99 33.228 25.235 53.141 1.00 11.90 H new ATOM 0 HA LEU A 99 33.936 24.022 51.593 1.00 15.05 H new ATOM 0 HB2 LEU A 99 35.569 22.707 53.532 1.00 17.45 H new ATOM 0 HB3 LEU A 99 35.570 22.213 52.052 1.00 17.45 H new ATOM 0 HG LEU A 99 36.565 24.646 53.036 1.00 22.03 H new ATOM 0 HD11 LEU A 99 38.468 24.116 51.653 1.00 24.78 H new ATOM 0 HD12 LEU A 99 38.151 22.911 52.630 1.00 24.78 H new ATOM 0 HD13 LEU A 99 37.696 22.843 51.115 1.00 24.78 H new ATOM 0 HD21 LEU A 99 36.743 25.602 50.869 1.00 24.33 H new ATOM 0 HD22 LEU A 99 35.938 24.373 50.276 1.00 24.33 H new ATOM 0 HD23 LEU A 99 35.223 25.389 51.259 1.00 24.33 H new ATOM 1251 N ASN A 100 31.828 22.580 52.915 1.00 12.33 N ATOM 1252 CA ASN A 100 30.851 21.466 52.936 1.00 10.73 C ATOM 1253 C ASN A 100 30.404 21.311 51.458 1.00 10.31 C ATOM 1254 O ASN A 100 30.201 22.301 50.777 1.00 9.45 O ATOM 1255 CB ASN A 100 29.688 21.853 53.824 1.00 10.21 C ATOM 1256 CG ASN A 100 28.777 20.646 54.021 1.00 13.22 C ATOM 1257 OD1 ASN A 100 29.179 19.485 53.964 1.00 13.65 O ATOM 1258 ND2 ASN A 100 27.521 20.876 54.272 1.00 13.08 N ATOM 0 H ASN A 100 31.553 23.332 53.228 1.00 12.33 H new ATOM 0 HA ASN A 100 31.214 20.636 53.283 1.00 10.73 H new ATOM 0 HB2 ASN A 100 30.014 22.168 54.682 1.00 10.21 H new ATOM 0 HB3 ASN A 100 29.191 22.584 53.423 1.00 10.21 H new ATOM 0 HD21 ASN A 100 26.980 20.219 54.396 1.00 13.08 H new ATOM 0 HD22 ASN A 100 27.232 21.685 54.314 1.00 13.08 H new ATOM 1265 N ASN A 101 30.275 20.089 51.032 1.00 11.06 N ATOM 1266 CA ASN A 101 29.868 19.672 49.651 1.00 11.29 C ATOM 1267 C ASN A 101 30.920 20.156 48.660 1.00 8.82 C ATOM 1268 O ASN A 101 30.631 20.754 47.634 1.00 8.19 O ATOM 1269 CB ASN A 101 28.529 20.274 49.227 1.00 13.89 C ATOM 1270 CG ASN A 101 27.416 19.909 50.188 1.00 12.50 C ATOM 1271 OD1 ASN A 101 27.080 18.777 50.402 1.00 12.14 O ATOM 1272 ND2 ASN A 101 26.799 20.852 50.806 1.00 11.94 N ATOM 0 H ASN A 101 30.424 19.415 51.545 1.00 11.06 H new ATOM 0 HA ASN A 101 29.785 18.706 49.657 1.00 11.29 H new ATOM 0 HB2 ASN A 101 28.610 21.239 49.178 1.00 13.89 H new ATOM 0 HB3 ASN A 101 28.302 19.963 48.337 1.00 13.89 H new ATOM 0 HD21 ASN A 101 26.165 20.663 51.355 1.00 11.94 H new ATOM 0 HD22 ASN A 101 27.021 21.672 50.670 1.00 11.94 H new ATOM 1279 N ASP A 102 32.139 19.865 48.990 1.00 8.83 N ATOM 1280 CA ASP A 102 33.281 20.284 48.105 1.00 9.59 C ATOM 1281 C ASP A 102 33.539 19.305 46.962 1.00 8.44 C ATOM 1282 O ASP A 102 34.464 18.516 47.013 1.00 8.57 O ATOM 1283 CB ASP A 102 34.562 20.428 48.995 1.00 9.84 C ATOM 1284 CG ASP A 102 35.800 20.973 48.236 1.00 11.28 C ATOM 1285 OD1 ASP A 102 35.617 21.508 47.161 1.00 10.62 O ATOM 1286 OD2 ASP A 102 36.874 20.813 48.799 1.00 12.72 O ATOM 0 H ASP A 102 32.365 19.435 49.700 1.00 8.83 H new ATOM 0 HA ASP A 102 33.049 21.129 47.689 1.00 9.59 H new ATOM 0 HB2 ASP A 102 34.364 21.019 49.738 1.00 9.84 H new ATOM 0 HB3 ASP A 102 34.781 19.562 49.373 1.00 9.84 H new ATOM 1291 N ILE A 103 32.696 19.380 45.968 1.00 7.35 N ATOM 1292 CA ILE A 103 32.818 18.509 44.783 1.00 9.32 C ATOM 1293 C ILE A 103 32.326 19.291 43.550 1.00 9.65 C ATOM 1294 O ILE A 103 31.452 20.129 43.660 1.00 10.55 O ATOM 1295 CB ILE A 103 31.980 17.180 45.075 1.00 9.60 C ATOM 1296 CG1 ILE A 103 32.057 16.210 43.870 1.00 10.31 C ATOM 1297 CG2 ILE A 103 30.471 17.457 45.418 1.00 12.39 C ATOM 1298 CD1 ILE A 103 31.394 14.847 44.205 1.00 11.98 C ATOM 0 H ILE A 103 32.033 19.927 45.940 1.00 7.35 H new ATOM 0 HA ILE A 103 33.734 18.246 44.600 1.00 9.32 H new ATOM 0 HB ILE A 103 32.387 16.778 45.858 1.00 9.60 H new ATOM 0 HG12 ILE A 103 31.616 16.607 43.103 1.00 10.31 H new ATOM 0 HG13 ILE A 103 32.984 16.070 43.623 1.00 10.31 H new ATOM 0 HG21 ILE A 103 30.017 16.616 45.584 1.00 12.39 H new ATOM 0 HG22 ILE A 103 30.416 18.016 46.209 1.00 12.39 H new ATOM 0 HG23 ILE A 103 30.047 17.910 44.672 1.00 12.39 H new ATOM 0 HD11 ILE A 103 31.455 14.259 43.436 1.00 11.98 H new ATOM 0 HD12 ILE A 103 31.851 14.441 44.959 1.00 11.98 H new ATOM 0 HD13 ILE A 103 30.461 14.987 44.430 1.00 11.98 H new ATOM 1310 N MET A 104 32.915 19.006 42.423 1.00 10.24 N ATOM 1311 CA MET A 104 32.525 19.669 41.150 1.00 8.59 C ATOM 1312 C MET A 104 32.797 18.656 40.015 1.00 9.61 C ATOM 1313 O MET A 104 33.706 17.864 40.121 1.00 9.86 O ATOM 1314 CB AMET A 104 33.402 20.912 41.004 0.49 9.33 C ATOM 1315 CB BMET A 104 33.337 20.965 40.914 0.38 10.54 C ATOM 1316 CG AMET A 104 33.556 21.470 39.581 0.49 9.60 C ATOM 1317 CG BMET A 104 34.674 20.787 40.200 0.38 11.21 C ATOM 1318 SD AMET A 104 34.728 22.854 39.543 0.49 8.56 S ATOM 1319 SD BMET A 104 35.574 22.338 39.988 0.38 9.30 S ATOM 1320 CE AMET A 104 36.305 21.987 39.735 0.49 10.04 C ATOM 1321 CE BMET A 104 34.407 23.191 38.904 0.38 11.12 C ATOM 0 H MET A 104 33.550 18.432 42.345 1.00 10.24 H new ATOM 0 HA MET A 104 31.592 19.934 41.126 1.00 8.59 H new ATOM 0 HB2AMET A 104 33.036 21.611 41.568 0.49 10.54 H new ATOM 0 HB2BMET A 104 32.792 21.579 40.397 0.38 10.54 H new ATOM 0 HB3AMET A 104 34.285 20.704 41.347 0.49 10.54 H new ATOM 0 HB3BMET A 104 33.501 21.385 41.773 0.38 10.54 H new ATOM 0 HG2AMET A 104 33.862 20.767 38.987 0.49 11.21 H new ATOM 0 HG2BMET A 104 35.224 20.166 40.704 0.38 11.21 H new ATOM 0 HG3AMET A 104 32.693 21.765 39.251 0.49 11.21 H new ATOM 0 HG3BMET A 104 34.519 20.387 39.330 0.38 11.21 H new ATOM 0 HE1AMET A 104 36.808 22.387 40.461 0.49 11.12 H new ATOM 0 HE1BMET A 104 34.895 23.678 38.222 0.38 11.12 H new ATOM 0 HE2AMET A 104 36.139 21.052 39.934 0.49 11.12 H new ATOM 0 HE2BMET A 104 33.823 22.542 38.482 0.38 11.12 H new ATOM 0 HE3AMET A 104 36.815 22.056 38.913 0.49 11.12 H new ATOM 0 HE3BMET A 104 33.875 23.812 39.426 0.38 11.12 H new ATOM 1338 N LEU A 105 32.004 18.766 38.985 1.00 10.61 N ATOM 1339 CA LEU A 105 32.100 17.873 37.774 1.00 10.12 C ATOM 1340 C LEU A 105 32.563 18.761 36.626 1.00 9.02 C ATOM 1341 O LEU A 105 32.126 19.901 36.535 1.00 9.79 O ATOM 1342 CB LEU A 105 30.714 17.293 37.398 1.00 10.75 C ATOM 1343 CG LEU A 105 30.197 16.260 38.439 1.00 13.11 C ATOM 1344 CD1 LEU A 105 28.697 15.948 38.158 1.00 12.15 C ATOM 1345 CD2 LEU A 105 30.975 14.961 38.244 1.00 16.22 C ATOM 0 H LEU A 105 31.378 19.354 38.933 1.00 10.61 H new ATOM 0 HA LEU A 105 32.704 17.135 37.952 1.00 10.12 H new ATOM 0 HB2 LEU A 105 30.074 18.018 37.321 1.00 10.75 H new ATOM 0 HB3 LEU A 105 30.770 16.870 36.527 1.00 10.75 H new ATOM 0 HG LEU A 105 30.308 16.615 39.335 1.00 13.11 H new ATOM 0 HD11 LEU A 105 28.373 15.304 38.807 1.00 12.15 H new ATOM 0 HD12 LEU A 105 28.178 16.765 38.227 1.00 12.15 H new ATOM 0 HD13 LEU A 105 28.604 15.581 37.265 1.00 12.15 H new ATOM 0 HD21 LEU A 105 30.668 14.301 38.885 1.00 16.22 H new ATOM 0 HD22 LEU A 105 30.831 14.629 37.344 1.00 16.22 H new ATOM 0 HD23 LEU A 105 31.921 15.127 38.379 1.00 16.22 H new ATOM 1357 N ILE A 106 33.411 18.209 35.815 1.00 10.30 N ATOM 1358 CA ILE A 106 33.978 18.919 34.636 1.00 9.06 C ATOM 1359 C ILE A 106 33.721 18.038 33.415 1.00 11.47 C ATOM 1360 O ILE A 106 34.094 16.878 33.453 1.00 11.68 O ATOM 1361 CB ILE A 106 35.478 19.083 34.837 1.00 12.28 C ATOM 1362 CG1 ILE A 106 35.760 19.922 36.098 1.00 13.43 C ATOM 1363 CG2 ILE A 106 36.129 19.702 33.566 1.00 14.06 C ATOM 1364 CD1 ILE A 106 37.220 19.856 36.384 1.00 13.65 C ATOM 0 H ILE A 106 33.697 17.403 35.907 1.00 10.30 H new ATOM 0 HA ILE A 106 33.575 19.794 34.521 1.00 9.06 H new ATOM 0 HB ILE A 106 35.880 18.211 34.973 1.00 12.28 H new ATOM 0 HG12 ILE A 106 35.483 20.842 35.961 1.00 13.43 H new ATOM 0 HG13 ILE A 106 35.252 19.582 36.851 1.00 13.43 H new ATOM 0 HG21 ILE A 106 37.084 19.801 33.707 1.00 14.06 H new ATOM 0 HG22 ILE A 106 35.973 19.119 32.806 1.00 14.06 H new ATOM 0 HG23 ILE A 106 35.736 20.572 33.392 1.00 14.06 H new ATOM 0 HD11 ILE A 106 37.419 20.379 37.176 1.00 13.65 H new ATOM 0 HD12 ILE A 106 37.479 18.933 36.533 1.00 13.65 H new ATOM 0 HD13 ILE A 106 37.714 20.213 35.629 1.00 13.65 H new ATOM 1376 N LYS A 107 33.121 18.585 32.390 1.00 11.74 N ATOM 1377 CA LYS A 107 32.852 17.785 31.181 1.00 12.44 C ATOM 1378 C LYS A 107 33.968 18.190 30.204 1.00 13.00 C ATOM 1379 O LYS A 107 34.323 19.353 30.125 1.00 12.45 O ATOM 1380 CB LYS A 107 31.499 18.154 30.574 1.00 12.25 C ATOM 1381 CG LYS A 107 31.173 17.117 29.471 1.00 14.67 C ATOM 1382 CD LYS A 107 29.831 17.464 28.779 1.00 15.27 C ATOM 1383 CE LYS A 107 29.392 16.263 27.906 1.00 16.42 C ATOM 1384 NZ LYS A 107 28.143 16.555 27.139 1.00 15.81 N ATOM 0 H LYS A 107 32.858 19.403 32.354 1.00 11.74 H new ATOM 0 HA LYS A 107 32.831 16.835 31.374 1.00 12.44 H new ATOM 0 HB2 LYS A 107 30.809 18.152 31.256 1.00 12.25 H new ATOM 0 HB3 LYS A 107 31.527 19.049 30.201 1.00 12.25 H new ATOM 0 HG2 LYS A 107 31.887 17.100 28.814 1.00 14.67 H new ATOM 0 HG3 LYS A 107 31.123 16.229 29.859 1.00 14.67 H new ATOM 0 HD2 LYS A 107 29.152 17.662 29.443 1.00 15.27 H new ATOM 0 HD3 LYS A 107 29.932 18.258 28.231 1.00 15.27 H new ATOM 0 HE2 LYS A 107 30.104 16.036 27.288 1.00 16.42 H new ATOM 0 HE3 LYS A 107 29.249 15.488 28.472 1.00 16.42 H new ATOM 0 HZ1 LYS A 107 27.825 15.800 26.790 1.00 15.81 H new ATOM 0 HZ2 LYS A 107 27.535 16.908 27.685 1.00 15.81 H new ATOM 0 HZ3 LYS A 107 28.324 17.131 26.485 1.00 15.81 H new ATOM 1398 N LEU A 108 34.455 17.212 29.490 1.00 14.08 N ATOM 1399 CA LEU A 108 35.545 17.373 28.486 1.00 15.74 C ATOM 1400 C LEU A 108 34.894 17.732 27.151 1.00 15.51 C ATOM 1401 O LEU A 108 33.794 17.295 26.858 1.00 14.08 O ATOM 1402 CB LEU A 108 36.327 16.042 28.262 1.00 15.87 C ATOM 1403 CG LEU A 108 36.923 15.422 29.582 1.00 19.75 C ATOM 1404 CD1 LEU A 108 37.768 14.205 29.213 1.00 20.62 C ATOM 1405 CD2 LEU A 108 37.812 16.418 30.376 1.00 20.03 C ATOM 0 H LEU A 108 34.172 16.403 29.557 1.00 14.08 H new ATOM 0 HA LEU A 108 36.158 18.052 28.807 1.00 15.74 H new ATOM 0 HB2 LEU A 108 35.734 15.394 27.850 1.00 15.87 H new ATOM 0 HB3 LEU A 108 37.050 16.203 27.636 1.00 15.87 H new ATOM 0 HG LEU A 108 36.174 15.184 30.151 1.00 19.75 H new ATOM 0 HD11 LEU A 108 38.141 13.814 30.018 1.00 20.62 H new ATOM 0 HD12 LEU A 108 37.212 13.549 28.763 1.00 20.62 H new ATOM 0 HD13 LEU A 108 38.488 14.478 28.623 1.00 20.62 H new ATOM 0 HD21 LEU A 108 38.150 15.984 31.175 1.00 20.03 H new ATOM 0 HD22 LEU A 108 38.557 16.700 29.822 1.00 20.03 H new ATOM 0 HD23 LEU A 108 37.285 17.193 30.628 1.00 20.03 H new ATOM 1417 N LYS A 109 35.604 18.514 26.398 1.00 15.02 N ATOM 1418 CA LYS A 109 35.094 18.942 25.044 1.00 18.29 C ATOM 1419 C LYS A 109 35.042 17.743 24.095 1.00 17.06 C ATOM 1420 O LYS A 109 34.151 17.675 23.273 1.00 17.95 O ATOM 1421 CB LYS A 109 36.010 19.954 24.372 1.00 21.48 C ATOM 1422 CG LYS A 109 35.612 21.386 24.710 1.00 23.39 C ATOM 1423 CD LYS A 109 36.673 22.323 24.039 0.01 21.98 C ATOM 1424 CE LYS A 109 36.797 22.149 22.487 0.01 22.25 C ATOM 1425 NZ LYS A 109 38.033 22.837 22.007 0.01 21.68 N ATOM 0 H LYS A 109 36.377 18.826 26.610 1.00 15.02 H new ATOM 0 HA LYS A 109 34.219 19.330 25.203 1.00 18.29 H new ATOM 0 HB2 LYS A 109 36.926 19.798 24.652 1.00 21.48 H new ATOM 0 HB3 LYS A 109 35.982 19.828 23.411 1.00 21.48 H new ATOM 0 HG2 LYS A 109 34.722 21.583 24.379 1.00 23.39 H new ATOM 0 HG3 LYS A 109 35.594 21.520 25.671 1.00 23.39 H new ATOM 0 HD2 LYS A 109 36.443 23.245 24.233 0.01 21.98 H new ATOM 0 HD3 LYS A 109 37.539 22.155 24.443 0.01 21.98 H new ATOM 0 HE2 LYS A 109 36.830 21.207 22.259 0.01 22.25 H new ATOM 0 HE3 LYS A 109 36.017 22.520 22.047 0.01 22.25 H new ATOM 0 HZ1 LYS A 109 38.104 22.739 21.125 0.01 21.68 H new ATOM 0 HZ2 LYS A 109 37.987 23.703 22.206 0.01 21.68 H new ATOM 0 HZ3 LYS A 109 38.745 22.479 22.404 0.01 21.68 H new ATOM 1439 N SER A 110 36.002 16.880 24.243 1.00 18.08 N ATOM 1440 CA SER A 110 36.124 15.644 23.418 1.00 21.86 C ATOM 1441 C SER A 110 36.289 14.519 24.417 1.00 20.82 C ATOM 1442 O SER A 110 36.819 14.758 25.485 1.00 20.72 O ATOM 1443 CB SER A 110 37.365 15.611 22.568 1.00 23.94 C ATOM 1444 OG SER A 110 37.134 16.748 21.773 1.00 29.69 O ATOM 0 H SER A 110 36.627 16.968 24.827 1.00 18.08 H new ATOM 0 HA SER A 110 35.353 15.586 22.832 1.00 21.86 H new ATOM 0 HB2 SER A 110 38.178 15.682 23.093 1.00 23.94 H new ATOM 0 HB3 SER A 110 37.436 14.798 22.044 1.00 23.94 H new ATOM 0 HG SER A 110 37.773 16.850 21.237 1.00 29.69 H new ATOM 1450 N ALA A 111 35.855 13.352 24.023 1.00 20.64 N ATOM 1451 CA ALA A 111 35.957 12.177 24.921 1.00 17.51 C ATOM 1452 C ALA A 111 37.400 11.805 24.862 1.00 19.11 C ATOM 1453 O ALA A 111 38.025 11.998 23.841 1.00 20.85 O ATOM 1454 CB ALA A 111 35.130 11.005 24.386 1.00 18.51 C ATOM 0 H ALA A 111 35.499 13.195 23.256 1.00 20.64 H new ATOM 0 HA ALA A 111 35.635 12.377 25.814 1.00 17.51 H new ATOM 0 HB1 ALA A 111 35.212 10.249 24.989 1.00 18.51 H new ATOM 0 HB2 ALA A 111 34.199 11.268 24.323 1.00 18.51 H new ATOM 0 HB3 ALA A 111 35.455 10.754 23.507 1.00 18.51 H new ATOM 1460 N ALA A 112 37.852 11.268 25.942 1.00 18.86 N ATOM 1461 CA ALA A 112 39.259 10.843 26.034 1.00 18.22 C ATOM 1462 C ALA A 112 39.331 9.418 25.492 1.00 18.62 C ATOM 1463 O ALA A 112 38.305 8.759 25.477 1.00 16.68 O ATOM 1464 CB ALA A 112 39.678 10.823 27.473 1.00 16.18 C ATOM 0 H ALA A 112 37.384 11.128 26.650 1.00 18.86 H new ATOM 0 HA ALA A 112 39.834 11.446 25.537 1.00 18.22 H new ATOM 0 HB1 ALA A 112 40.605 10.543 27.537 1.00 16.18 H new ATOM 0 HB2 ALA A 112 39.582 11.711 27.851 1.00 16.18 H new ATOM 0 HB3 ALA A 112 39.119 10.201 27.964 1.00 16.18 H new ATOM 1470 N SER A 113 40.507 8.992 25.090 1.00 17.96 N ATOM 1471 CA SER A 113 40.675 7.599 24.556 1.00 20.08 C ATOM 1472 C SER A 113 41.181 6.833 25.749 1.00 19.63 C ATOM 1473 O SER A 113 42.234 7.153 26.277 1.00 18.34 O ATOM 1474 CB SER A 113 41.730 7.498 23.468 1.00 22.53 C ATOM 1475 OG SER A 113 41.150 8.286 22.447 1.00 28.95 O ATOM 0 H SER A 113 41.227 9.463 25.106 1.00 17.96 H new ATOM 0 HA SER A 113 39.846 7.281 24.166 1.00 20.08 H new ATOM 0 HB2 SER A 113 42.588 7.847 23.757 1.00 22.53 H new ATOM 0 HB3 SER A 113 41.877 6.582 23.185 1.00 22.53 H new ATOM 0 HG SER A 113 41.661 8.302 21.781 1.00 28.95 H new ATOM 1481 N LEU A 114 40.430 5.843 26.132 1.00 19.75 N ATOM 1482 CA LEU A 114 40.835 5.035 27.306 1.00 20.30 C ATOM 1483 C LEU A 114 41.751 3.949 26.836 1.00 22.32 C ATOM 1484 O LEU A 114 41.511 3.340 25.809 1.00 21.72 O ATOM 1485 CB LEU A 114 39.605 4.414 27.937 1.00 21.66 C ATOM 1486 CG LEU A 114 38.528 5.453 28.304 1.00 23.36 C ATOM 1487 CD1 LEU A 114 37.373 4.697 28.978 1.00 25.49 C ATOM 1488 CD2 LEU A 114 39.074 6.510 29.295 1.00 22.97 C ATOM 0 H LEU A 114 39.695 5.605 25.755 1.00 19.75 H new ATOM 0 HA LEU A 114 41.283 5.594 27.960 1.00 20.30 H new ATOM 0 HB2 LEU A 114 39.226 3.765 27.324 1.00 21.66 H new ATOM 0 HB3 LEU A 114 39.867 3.930 28.736 1.00 21.66 H new ATOM 0 HG LEU A 114 38.242 5.915 27.501 1.00 23.36 H new ATOM 0 HD11 LEU A 114 36.675 5.324 29.223 1.00 25.49 H new ATOM 0 HD12 LEU A 114 37.014 4.039 28.363 1.00 25.49 H new ATOM 0 HD13 LEU A 114 37.700 4.250 29.775 1.00 25.49 H new ATOM 0 HD21 LEU A 114 38.374 7.148 29.506 1.00 22.97 H new ATOM 0 HD22 LEU A 114 39.366 6.070 30.109 1.00 22.97 H new ATOM 0 HD23 LEU A 114 39.824 6.975 28.892 1.00 22.97 H new ATOM 1500 N ASN A 115 42.781 3.729 27.586 1.00 21.99 N ATOM 1501 CA ASN A 115 43.792 2.676 27.262 1.00 23.95 C ATOM 1502 C ASN A 115 44.391 2.291 28.597 1.00 25.81 C ATOM 1503 O ASN A 115 43.846 2.619 29.639 1.00 28.38 O ATOM 1504 CB ASN A 115 44.872 3.229 26.300 1.00 23.45 C ATOM 1505 CG ASN A 115 45.559 4.457 26.840 1.00 23.77 C ATOM 1506 OD1 ASN A 115 46.208 4.399 27.866 1.00 24.88 O ATOM 1507 ND2 ASN A 115 45.455 5.586 26.207 1.00 25.57 N ATOM 0 H ASN A 115 42.948 4.167 28.307 1.00 21.99 H new ATOM 0 HA ASN A 115 43.398 1.913 26.810 1.00 23.95 H new ATOM 0 HB2 ASN A 115 45.534 2.540 26.133 1.00 23.45 H new ATOM 0 HB3 ASN A 115 44.462 3.441 25.447 1.00 23.45 H new ATOM 0 HD21 ASN A 115 45.844 6.289 26.514 1.00 25.57 H new ATOM 0 HD22 ASN A 115 44.997 5.631 25.481 1.00 25.57 H new ATOM 1514 N SER A 116 45.475 1.609 28.577 1.00 29.84 N ATOM 1515 CA SER A 116 46.149 1.174 29.828 1.00 32.31 C ATOM 1516 C SER A 116 46.540 2.323 30.796 1.00 32.00 C ATOM 1517 O SER A 116 46.440 2.222 32.016 1.00 32.20 O ATOM 1518 CB SER A 116 47.441 0.386 29.426 1.00 35.37 C ATOM 1519 OG SER A 116 47.138 -0.293 28.203 1.00 39.96 O ATOM 0 H SER A 116 45.874 1.364 27.856 1.00 29.84 H new ATOM 0 HA SER A 116 45.510 0.631 30.315 1.00 32.31 H new ATOM 0 HB2 SER A 116 48.191 0.990 29.309 1.00 35.37 H new ATOM 0 HB3 SER A 116 47.690 -0.245 30.119 1.00 35.37 H new ATOM 0 HG SER A 116 47.556 0.069 27.571 1.00 39.96 H new ATOM 1525 N ARG A 117 46.975 3.380 30.154 1.00 29.78 N ATOM 1526 CA ARG A 117 47.449 4.619 30.851 1.00 29.26 C ATOM 1527 C ARG A 117 46.404 5.662 31.219 1.00 25.94 C ATOM 1528 O ARG A 117 46.674 6.484 32.085 1.00 23.05 O ATOM 1529 CB ARG A 117 48.563 5.215 29.936 1.00 29.02 C ATOM 1530 CG ARG A 117 49.579 4.032 29.717 1.00 30.60 C ATOM 1531 CD ARG A 117 50.736 4.321 28.776 1.00 32.55 C ATOM 1532 NE ARG A 117 51.433 3.012 28.516 0.07 35.54 N ATOM 1533 CZ ARG A 117 52.686 2.778 28.833 0.07 36.83 C ATOM 1534 NH1 ARG A 117 53.396 3.642 29.509 0.07 37.15 N ATOM 1535 NH2 ARG A 117 53.206 1.644 28.447 0.07 37.15 N ATOM 0 H ARG A 117 47.015 3.428 29.296 1.00 29.78 H new ATOM 0 HA ARG A 117 47.763 4.357 31.731 1.00 29.26 H new ATOM 0 HB2 ARG A 117 48.197 5.526 29.093 1.00 29.02 H new ATOM 0 HB3 ARG A 117 48.994 5.976 30.356 1.00 29.02 H new ATOM 0 HG2 ARG A 117 49.942 3.776 30.579 1.00 30.60 H new ATOM 0 HG3 ARG A 117 49.090 3.267 29.376 1.00 30.60 H new ATOM 0 HD2 ARG A 117 50.415 4.709 27.947 1.00 32.55 H new ATOM 0 HD3 ARG A 117 51.347 4.962 29.171 1.00 32.55 H new ATOM 0 HE ARG A 117 50.985 2.382 28.139 0.07 35.54 H new ATOM 0 HH11 ARG A 117 53.044 4.386 29.758 0.07 37.15 H new ATOM 0 HH12 ARG A 117 54.215 3.466 29.705 0.07 37.15 H new ATOM 0 HH21 ARG A 117 52.731 1.082 28.002 0.07 37.15 H new ATOM 0 HH22 ARG A 117 54.024 1.459 28.638 0.07 37.15 H new ATOM 1549 N VAL A 118 45.289 5.592 30.545 1.00 23.82 N ATOM 1550 CA VAL A 118 44.153 6.527 30.781 1.00 20.63 C ATOM 1551 C VAL A 118 42.935 5.604 31.021 1.00 21.31 C ATOM 1552 O VAL A 118 42.442 4.955 30.103 1.00 19.14 O ATOM 1553 CB VAL A 118 43.980 7.435 29.515 1.00 21.40 C ATOM 1554 CG1 VAL A 118 42.872 8.434 29.772 1.00 20.26 C ATOM 1555 CG2 VAL A 118 45.305 8.213 29.229 1.00 21.18 C ATOM 0 H VAL A 118 45.141 5.009 29.930 1.00 23.82 H new ATOM 0 HA VAL A 118 44.279 7.126 31.534 1.00 20.63 H new ATOM 0 HB VAL A 118 43.762 6.879 28.751 1.00 21.40 H new ATOM 0 HG11 VAL A 118 42.759 9.000 28.992 1.00 20.26 H new ATOM 0 HG12 VAL A 118 42.044 7.961 29.950 1.00 20.26 H new ATOM 0 HG13 VAL A 118 43.102 8.982 30.538 1.00 20.26 H new ATOM 0 HG21 VAL A 118 45.189 8.772 28.445 1.00 21.18 H new ATOM 0 HG22 VAL A 118 45.525 8.769 29.992 1.00 21.18 H new ATOM 0 HG23 VAL A 118 46.024 7.581 29.072 1.00 21.18 H new ATOM 1565 N ALA A 119 42.478 5.550 32.244 1.00 19.39 N ATOM 1566 CA ALA A 119 41.308 4.681 32.557 1.00 18.67 C ATOM 1567 C ALA A 119 40.395 5.432 33.529 1.00 16.20 C ATOM 1568 O ALA A 119 40.857 6.377 34.147 1.00 15.33 O ATOM 1569 CB ALA A 119 41.856 3.336 33.184 1.00 17.41 C ATOM 0 H ALA A 119 42.802 5.986 32.911 1.00 19.39 H new ATOM 0 HA ALA A 119 40.792 4.465 31.764 1.00 18.67 H new ATOM 0 HB1 ALA A 119 41.112 2.751 33.397 1.00 17.41 H new ATOM 0 HB2 ALA A 119 42.440 2.896 32.547 1.00 17.41 H new ATOM 0 HB3 ALA A 119 42.353 3.535 33.993 1.00 17.41 H new ATOM 1575 N SER A 120 39.157 5.032 33.665 1.00 16.58 N ATOM 1576 CA SER A 120 38.266 5.755 34.619 1.00 17.31 C ATOM 1577 C SER A 120 38.211 4.960 35.941 1.00 16.06 C ATOM 1578 O SER A 120 38.610 3.800 35.975 1.00 15.49 O ATOM 1579 CB SER A 120 36.877 5.890 33.973 1.00 17.54 C ATOM 1580 OG SER A 120 36.498 4.610 33.469 1.00 20.44 O ATOM 0 H SER A 120 38.798 4.373 33.245 1.00 16.58 H new ATOM 0 HA SER A 120 38.599 6.644 34.817 1.00 17.31 H new ATOM 0 HB2 SER A 120 36.230 6.203 34.624 1.00 17.54 H new ATOM 0 HB3 SER A 120 36.898 6.544 33.257 1.00 17.54 H new ATOM 0 HG SER A 120 36.701 4.558 32.656 1.00 20.44 H new ATOM 1586 N ILE A 121 37.736 5.573 36.986 1.00 15.81 N ATOM 1587 CA ILE A 121 37.647 4.861 38.292 1.00 16.56 C ATOM 1588 C ILE A 121 36.131 4.736 38.594 1.00 14.97 C ATOM 1589 O ILE A 121 35.362 5.615 38.254 1.00 14.58 O ATOM 1590 CB ILE A 121 38.419 5.713 39.421 1.00 14.97 C ATOM 1591 CG1 ILE A 121 38.334 5.106 40.883 1.00 14.91 C ATOM 1592 CG2 ILE A 121 37.872 7.139 39.480 1.00 14.81 C ATOM 1593 CD1 ILE A 121 39.102 3.780 40.997 1.00 16.82 C ATOM 0 H ILE A 121 37.457 6.386 36.993 1.00 15.81 H new ATOM 0 HA ILE A 121 38.062 3.985 38.274 1.00 16.56 H new ATOM 0 HB ILE A 121 39.350 5.691 39.149 1.00 14.97 H new ATOM 0 HG12 ILE A 121 38.694 5.744 41.519 1.00 14.91 H new ATOM 0 HG13 ILE A 121 37.404 4.963 41.120 1.00 14.91 H new ATOM 0 HG21 ILE A 121 38.345 7.639 40.163 1.00 14.81 H new ATOM 0 HG22 ILE A 121 37.997 7.569 38.620 1.00 14.81 H new ATOM 0 HG23 ILE A 121 36.926 7.114 39.695 1.00 14.81 H new ATOM 0 HD11 ILE A 121 39.028 3.440 41.902 1.00 16.82 H new ATOM 0 HD12 ILE A 121 38.727 3.134 40.378 1.00 16.82 H new ATOM 0 HD13 ILE A 121 40.037 3.928 40.783 1.00 16.82 H new ATOM 1605 N SER A 122 35.759 3.653 39.227 1.00 16.93 N ATOM 1606 CA SER A 122 34.331 3.388 39.589 1.00 17.99 C ATOM 1607 C SER A 122 33.843 4.165 40.823 1.00 13.89 C ATOM 1608 O SER A 122 34.593 4.375 41.767 1.00 11.51 O ATOM 1609 CB SER A 122 34.104 1.902 39.947 1.00 18.48 C ATOM 1610 OG SER A 122 34.652 1.102 38.908 1.00 22.48 O ATOM 0 H SER A 122 36.304 3.034 39.471 1.00 16.93 H new ATOM 0 HA SER A 122 33.842 3.667 38.799 1.00 17.99 H new ATOM 0 HB2 SER A 122 34.526 1.691 40.794 1.00 18.48 H new ATOM 0 HB3 SER A 122 33.157 1.720 40.049 1.00 18.48 H new ATOM 0 HG SER A 122 34.537 0.290 39.089 1.00 22.48 H new ATOM 1616 N LEU A 123 32.597 4.534 40.768 1.00 15.06 N ATOM 1617 CA LEU A 123 32.009 5.275 41.904 1.00 14.63 C ATOM 1618 C LEU A 123 31.613 4.117 42.841 1.00 16.89 C ATOM 1619 O LEU A 123 31.442 2.977 42.419 1.00 15.29 O ATOM 1620 CB LEU A 123 30.743 6.048 41.480 1.00 15.82 C ATOM 1621 CG LEU A 123 31.066 7.187 40.476 1.00 16.24 C ATOM 1622 CD1 LEU A 123 29.722 7.800 40.089 1.00 17.69 C ATOM 1623 CD2 LEU A 123 31.889 8.266 41.142 1.00 15.24 C ATOM 0 H LEU A 123 32.065 4.382 40.110 1.00 15.06 H new ATOM 0 HA LEU A 123 32.607 5.936 42.287 1.00 14.63 H new ATOM 0 HB2 LEU A 123 30.109 5.433 41.078 1.00 15.82 H new ATOM 0 HB3 LEU A 123 30.315 6.422 42.266 1.00 15.82 H new ATOM 0 HG LEU A 123 31.561 6.840 39.717 1.00 16.24 H new ATOM 0 HD11 LEU A 123 29.865 8.523 39.458 1.00 17.69 H new ATOM 0 HD12 LEU A 123 29.162 7.121 39.681 1.00 17.69 H new ATOM 0 HD13 LEU A 123 29.284 8.146 40.882 1.00 17.69 H new ATOM 0 HD21 LEU A 123 32.081 8.968 40.501 1.00 15.24 H new ATOM 0 HD22 LEU A 123 31.393 8.637 41.889 1.00 15.24 H new ATOM 0 HD23 LEU A 123 32.721 7.886 41.464 1.00 15.24 H new ATOM 1635 N PRO A 124 31.494 4.438 44.103 1.00 16.11 N ATOM 1636 CA PRO A 124 31.188 3.423 45.138 1.00 16.90 C ATOM 1637 C PRO A 124 29.711 3.038 45.162 1.00 17.88 C ATOM 1638 O PRO A 124 28.896 3.826 44.727 1.00 17.26 O ATOM 1639 CB PRO A 124 31.638 4.075 46.437 1.00 16.81 C ATOM 1640 CG PRO A 124 31.331 5.566 46.193 1.00 16.74 C ATOM 1641 CD PRO A 124 31.671 5.805 44.672 1.00 16.22 C ATOM 0 HA PRO A 124 31.642 2.582 44.971 1.00 16.90 H new ATOM 0 HB2 PRO A 124 31.152 3.728 47.201 1.00 16.81 H new ATOM 0 HB3 PRO A 124 32.581 3.925 46.608 1.00 16.81 H new ATOM 0 HG2 PRO A 124 30.402 5.769 46.382 1.00 16.74 H new ATOM 0 HG3 PRO A 124 31.868 6.134 46.767 1.00 16.74 H new ATOM 0 HD2 PRO A 124 31.073 6.450 44.262 1.00 16.22 H new ATOM 0 HD3 PRO A 124 32.574 6.137 44.549 1.00 16.22 H new ATOM 1649 N THR A 125 29.437 1.867 45.671 1.00 20.68 N ATOM 1650 CA THR A 125 28.037 1.355 45.783 1.00 21.95 C ATOM 1651 C THR A 125 27.641 1.595 47.238 1.00 20.90 C ATOM 1652 O THR A 125 26.464 1.596 47.533 1.00 24.74 O ATOM 1653 CB THR A 125 27.972 -0.162 45.463 1.00 23.54 C ATOM 1654 OG1 THR A 125 29.238 -0.720 45.785 1.00 26.75 O ATOM 1655 CG2 THR A 125 27.846 -0.388 43.966 1.00 23.02 C ATOM 0 H THR A 125 30.035 1.325 45.969 1.00 20.68 H new ATOM 0 HA THR A 125 27.445 1.800 45.157 1.00 21.95 H new ATOM 0 HB THR A 125 27.225 -0.545 45.949 1.00 23.54 H new ATOM 0 HG1 THR A 125 29.231 -1.544 45.622 1.00 26.75 H new ATOM 0 HG21 THR A 125 27.807 -1.340 43.784 1.00 23.02 H new ATOM 0 HG22 THR A 125 27.036 0.036 43.642 1.00 23.02 H new ATOM 0 HG23 THR A 125 28.614 -0.005 43.515 1.00 23.02 H new ATOM 1663 N SER A 127 28.595 1.758 48.118 1.00 18.19 N ATOM 1664 CA SER A 127 28.319 2.020 49.570 1.00 16.59 C ATOM 1665 C SER A 127 29.534 2.817 50.102 1.00 17.66 C ATOM 1666 O SER A 127 30.547 2.948 49.412 1.00 15.36 O ATOM 1667 CB SER A 127 28.149 0.670 50.345 1.00 17.07 C ATOM 1668 OG SER A 127 29.226 -0.179 49.915 1.00 18.37 O ATOM 0 H SER A 127 29.432 1.726 47.922 1.00 18.19 H new ATOM 0 HA SER A 127 27.496 2.519 49.693 1.00 16.59 H new ATOM 0 HB2 SER A 127 28.184 0.814 51.304 1.00 17.07 H new ATOM 0 HB3 SER A 127 27.290 0.265 50.150 1.00 17.07 H new ATOM 0 HG SER A 127 29.174 -0.919 50.309 1.00 18.37 H new ATOM 1674 N CYS A 128 29.415 3.301 51.301 1.00 16.23 N ATOM 1675 CA CYS A 128 30.522 4.082 51.905 1.00 18.12 C ATOM 1676 C CYS A 128 31.529 3.087 52.520 1.00 20.47 C ATOM 1677 O CYS A 128 31.191 1.943 52.785 1.00 21.54 O ATOM 1678 CB CYS A 128 29.894 5.035 52.983 1.00 16.42 C ATOM 1679 SG CYS A 128 28.593 6.158 52.414 1.00 17.22 S ATOM 0 H CYS A 128 28.721 3.206 51.800 1.00 16.23 H new ATOM 0 HA CYS A 128 30.996 4.623 51.254 1.00 18.12 H new ATOM 0 HB2 CYS A 128 29.531 4.488 53.697 1.00 16.42 H new ATOM 0 HB3 CYS A 128 30.607 5.568 53.369 1.00 16.42 H new ATOM 1684 N ALA A 129 32.726 3.573 52.739 1.00 16.19 N ATOM 1685 CA ALA A 129 33.767 2.704 53.311 1.00 16.28 C ATOM 1686 C ALA A 129 33.834 2.938 54.802 1.00 18.66 C ATOM 1687 O ALA A 129 33.475 4.002 55.268 1.00 19.61 O ATOM 1688 CB ALA A 129 35.113 3.038 52.689 1.00 16.53 C ATOM 0 H ALA A 129 32.969 4.381 52.574 1.00 16.19 H new ATOM 0 HA ALA A 129 33.553 1.776 53.129 1.00 16.28 H new ATOM 0 HB1 ALA A 129 35.796 2.464 53.068 1.00 16.53 H new ATOM 0 HB2 ALA A 129 35.070 2.899 51.730 1.00 16.53 H new ATOM 0 HB3 ALA A 129 35.333 3.965 52.871 1.00 16.53 H new ATOM 1694 N SER A 130 34.314 1.929 55.460 1.00 21.48 N ATOM 1695 CA SER A 130 34.485 1.880 56.930 1.00 22.72 C ATOM 1696 C SER A 130 35.830 2.412 57.383 1.00 19.30 C ATOM 1697 O SER A 130 36.833 2.355 56.700 1.00 19.19 O ATOM 1698 CB SER A 130 34.416 0.406 57.445 1.00 26.12 C ATOM 1699 OG SER A 130 33.354 -0.180 56.697 1.00 31.16 O ATOM 0 H SER A 130 34.569 1.206 55.070 1.00 21.48 H new ATOM 0 HA SER A 130 33.770 2.429 57.288 1.00 22.72 H new ATOM 0 HB2 SER A 130 35.253 -0.060 57.296 1.00 26.12 H new ATOM 0 HB3 SER A 130 34.238 0.372 58.398 1.00 26.12 H new ATOM 0 HG SER A 130 33.261 -0.983 56.924 1.00 31.16 H new ATOM 1705 N ALA A 132 35.792 2.923 58.581 1.00 18.43 N ATOM 1706 CA ALA A 132 37.024 3.475 59.211 1.00 19.14 C ATOM 1707 C ALA A 132 37.966 2.258 59.254 1.00 18.13 C ATOM 1708 O ALA A 132 37.517 1.155 59.540 1.00 17.58 O ATOM 1709 CB ALA A 132 36.748 3.955 60.681 1.00 18.70 C ATOM 0 H ALA A 132 35.084 2.973 59.066 1.00 18.43 H new ATOM 0 HA ALA A 132 37.373 4.240 58.727 1.00 19.14 H new ATOM 0 HB1 ALA A 132 37.566 4.309 61.065 1.00 18.70 H new ATOM 0 HB2 ALA A 132 36.069 4.648 60.673 1.00 18.70 H new ATOM 0 HB3 ALA A 132 36.439 3.206 61.214 1.00 18.70 H new ATOM 1715 N GLY A 133 39.212 2.470 58.974 1.00 16.26 N ATOM 1716 CA GLY A 133 40.163 1.334 59.007 1.00 16.43 C ATOM 1717 C GLY A 133 40.478 0.932 57.590 1.00 16.77 C ATOM 1718 O GLY A 133 41.534 0.383 57.353 1.00 21.73 O ATOM 0 H GLY A 133 39.551 3.232 58.764 1.00 16.26 H new ATOM 0 HA2 GLY A 133 40.975 1.588 59.474 1.00 16.43 H new ATOM 0 HA3 GLY A 133 39.779 0.587 59.492 1.00 16.43 H new ATOM 1722 N THR A 134 39.594 1.191 56.676 1.00 17.15 N ATOM 1723 CA THR A 134 39.893 0.796 55.266 1.00 19.13 C ATOM 1724 C THR A 134 41.167 1.590 54.779 1.00 17.94 C ATOM 1725 O THR A 134 41.326 2.759 55.062 1.00 14.56 O ATOM 1726 CB THR A 134 38.612 1.125 54.431 1.00 18.39 C ATOM 1727 OG1 THR A 134 37.534 0.372 54.999 1.00 19.04 O ATOM 1728 CG2 THR A 134 38.726 0.564 53.017 1.00 20.26 C ATOM 0 H THR A 134 38.836 1.576 56.807 1.00 17.15 H new ATOM 0 HA THR A 134 40.097 -0.147 55.169 1.00 19.13 H new ATOM 0 HB THR A 134 38.489 2.087 54.428 1.00 18.39 H new ATOM 0 HG1 THR A 134 37.154 0.830 55.591 1.00 19.04 H new ATOM 0 HG21 THR A 134 37.923 0.779 52.518 1.00 20.26 H new ATOM 0 HG22 THR A 134 39.496 0.955 52.575 1.00 20.26 H new ATOM 0 HG23 THR A 134 38.832 -0.399 53.058 1.00 20.26 H new ATOM 1736 N GLN A 135 42.026 0.930 54.075 1.00 17.63 N ATOM 1737 CA GLN A 135 43.248 1.598 53.578 1.00 19.29 C ATOM 1738 C GLN A 135 42.917 2.121 52.171 1.00 17.59 C ATOM 1739 O GLN A 135 42.299 1.419 51.377 1.00 15.45 O ATOM 1740 CB GLN A 135 44.404 0.598 53.462 1.00 19.69 C ATOM 1741 CG GLN A 135 44.898 0.091 54.796 1.00 24.08 C ATOM 1742 CD GLN A 135 45.771 1.127 55.515 0.54 24.95 C ATOM 1743 OE1 GLN A 135 46.490 1.904 54.920 0.54 25.76 O ATOM 1744 NE2 GLN A 135 45.762 1.185 56.812 0.54 25.95 N ATOM 0 H GLN A 135 41.949 0.101 53.859 1.00 17.63 H new ATOM 0 HA GLN A 135 43.515 2.306 54.185 1.00 19.29 H new ATOM 0 HB2 GLN A 135 44.117 -0.156 52.924 1.00 19.69 H new ATOM 0 HB3 GLN A 135 45.140 1.019 52.991 1.00 19.69 H new ATOM 0 HG2 GLN A 135 44.139 -0.136 55.356 1.00 24.08 H new ATOM 0 HG3 GLN A 135 45.407 -0.724 54.663 1.00 24.08 H new ATOM 0 HE21 GLN A 135 45.264 0.648 57.263 0.54 25.95 H new ATOM 0 HE22 GLN A 135 46.254 1.760 57.220 0.54 25.95 H new ATOM 1753 N CYS A 136 43.351 3.319 51.907 1.00 14.20 N ATOM 1754 CA CYS A 136 43.094 3.948 50.586 1.00 15.08 C ATOM 1755 C CYS A 136 44.414 4.434 50.010 1.00 14.12 C ATOM 1756 O CYS A 136 45.442 4.459 50.667 1.00 14.97 O ATOM 1757 CB CYS A 136 42.131 5.129 50.796 1.00 16.73 C ATOM 1758 SG CYS A 136 40.609 4.764 51.698 1.00 15.16 S ATOM 0 H CYS A 136 43.797 3.806 52.458 1.00 14.20 H new ATOM 0 HA CYS A 136 42.697 3.314 49.968 1.00 15.08 H new ATOM 0 HB2 CYS A 136 42.606 5.830 51.270 1.00 16.73 H new ATOM 0 HB3 CYS A 136 41.892 5.486 49.926 1.00 16.73 H new ATOM 1763 N LEU A 137 44.307 4.831 48.788 1.00 12.03 N ATOM 1764 CA LEU A 137 45.469 5.346 48.025 1.00 12.85 C ATOM 1765 C LEU A 137 45.082 6.754 47.630 1.00 13.47 C ATOM 1766 O LEU A 137 44.028 6.928 47.024 1.00 12.57 O ATOM 1767 CB LEU A 137 45.713 4.513 46.744 1.00 14.25 C ATOM 1768 CG LEU A 137 46.932 5.066 45.931 1.00 16.58 C ATOM 1769 CD1 LEU A 137 48.283 4.907 46.765 1.00 19.14 C ATOM 1770 CD2 LEU A 137 47.042 4.327 44.551 1.00 18.88 C ATOM 0 H LEU A 137 43.570 4.823 48.346 1.00 12.03 H new ATOM 0 HA LEU A 137 46.281 5.305 48.554 1.00 12.85 H new ATOM 0 HB2 LEU A 137 45.874 3.587 46.983 1.00 14.25 H new ATOM 0 HB3 LEU A 137 44.918 4.528 46.189 1.00 14.25 H new ATOM 0 HG LEU A 137 46.790 6.011 45.765 1.00 16.58 H new ATOM 0 HD11 LEU A 137 49.026 5.254 46.247 1.00 19.14 H new ATOM 0 HD12 LEU A 137 48.210 5.401 47.596 1.00 19.14 H new ATOM 0 HD13 LEU A 137 48.435 3.969 46.959 1.00 19.14 H new ATOM 0 HD21 LEU A 137 47.799 4.677 44.056 1.00 18.88 H new ATOM 0 HD22 LEU A 137 47.166 3.377 44.702 1.00 18.88 H new ATOM 0 HD23 LEU A 137 46.229 4.470 44.041 1.00 18.88 H new ATOM 1782 N ILE A 138 45.935 7.674 47.979 1.00 12.75 N ATOM 1783 CA ILE A 138 45.752 9.132 47.690 1.00 13.20 C ATOM 1784 C ILE A 138 46.940 9.485 46.787 1.00 10.55 C ATOM 1785 O ILE A 138 48.037 9.028 47.047 1.00 12.44 O ATOM 1786 CB ILE A 138 45.773 9.860 49.046 1.00 13.56 C ATOM 1787 CG1 ILE A 138 44.742 9.128 49.984 1.00 15.77 C ATOM 1788 CG2 ILE A 138 45.388 11.373 48.877 1.00 13.95 C ATOM 1789 CD1 ILE A 138 44.807 9.687 51.398 1.00 18.31 C ATOM 0 H ILE A 138 46.663 7.499 48.401 1.00 12.75 H new ATOM 0 HA ILE A 138 44.924 9.378 47.249 1.00 13.20 H new ATOM 0 HB ILE A 138 46.664 9.835 49.429 1.00 13.56 H new ATOM 0 HG12 ILE A 138 43.845 9.234 49.631 1.00 15.77 H new ATOM 0 HG13 ILE A 138 44.930 8.177 49.999 1.00 15.77 H new ATOM 0 HG21 ILE A 138 45.408 11.811 49.742 1.00 13.95 H new ATOM 0 HG22 ILE A 138 46.022 11.804 48.283 1.00 13.95 H new ATOM 0 HG23 ILE A 138 44.496 11.440 48.502 1.00 13.95 H new ATOM 0 HD11 ILE A 138 44.166 9.224 51.959 1.00 18.31 H new ATOM 0 HD12 ILE A 138 45.700 9.560 51.756 1.00 18.31 H new ATOM 0 HD13 ILE A 138 44.597 10.634 51.382 1.00 18.31 H new ATOM 1801 N SER A 139 46.704 10.278 45.771 1.00 11.81 N ATOM 1802 CA SER A 139 47.800 10.637 44.861 1.00 12.35 C ATOM 1803 C SER A 139 47.699 12.089 44.395 1.00 13.90 C ATOM 1804 O SER A 139 46.645 12.701 44.490 1.00 12.51 O ATOM 1805 CB SER A 139 47.739 9.605 43.673 1.00 9.93 C ATOM 1806 OG SER A 139 46.425 9.600 43.097 1.00 11.60 O ATOM 0 H SER A 139 45.939 10.621 45.580 1.00 11.81 H new ATOM 0 HA SER A 139 48.660 10.586 45.306 1.00 12.35 H new ATOM 0 HB2 SER A 139 48.396 9.838 42.998 1.00 9.93 H new ATOM 0 HB3 SER A 139 47.964 8.717 43.993 1.00 9.93 H new ATOM 0 HG SER A 139 45.991 8.945 43.394 1.00 11.60 H new ATOM 1812 N GLY A 140 48.787 12.602 43.903 1.00 12.93 N ATOM 1813 CA GLY A 140 48.810 13.989 43.420 1.00 11.88 C ATOM 1814 C GLY A 140 50.201 14.545 43.296 1.00 13.82 C ATOM 1815 O GLY A 140 51.171 13.934 43.704 1.00 10.50 O ATOM 0 H GLY A 140 49.534 12.181 43.831 1.00 12.93 H new ATOM 0 HA2 GLY A 140 48.372 14.033 42.556 1.00 11.88 H new ATOM 0 HA3 GLY A 140 48.297 14.546 44.027 1.00 11.88 H new ATOM 1819 N TRP A 141 50.233 15.721 42.729 1.00 12.83 N ATOM 1820 CA TRP A 141 51.484 16.513 42.467 1.00 15.33 C ATOM 1821 C TRP A 141 51.584 17.744 43.415 1.00 14.80 C ATOM 1822 O TRP A 141 52.207 18.740 43.099 1.00 15.87 O ATOM 1823 CB TRP A 141 51.448 17.012 41.004 1.00 12.84 C ATOM 1824 CG TRP A 141 51.604 15.943 39.896 1.00 13.69 C ATOM 1825 CD1 TRP A 141 52.808 15.480 39.449 1.00 11.27 C ATOM 1826 CD2 TRP A 141 50.594 15.356 39.180 1.00 13.68 C ATOM 1827 NE1 TRP A 141 52.460 14.641 38.490 1.00 12.67 N ATOM 1828 CE2 TRP A 141 51.167 14.481 38.235 1.00 13.30 C ATOM 1829 CE3 TRP A 141 49.202 15.487 39.224 1.00 12.02 C ATOM 1830 CZ2 TRP A 141 50.356 13.752 37.347 1.00 9.78 C ATOM 1831 CZ3 TRP A 141 48.389 14.751 38.334 1.00 11.40 C ATOM 1832 CH2 TRP A 141 48.972 13.880 37.394 1.00 12.73 C ATOM 0 H TRP A 141 49.520 16.123 42.464 1.00 12.83 H new ATOM 0 HA TRP A 141 52.253 15.943 42.625 1.00 15.33 H new ATOM 0 HB2 TRP A 141 50.606 17.473 40.863 1.00 12.84 H new ATOM 0 HB3 TRP A 141 52.153 17.669 40.891 1.00 12.84 H new ATOM 0 HD1 TRP A 141 53.661 15.701 39.746 1.00 11.27 H new ATOM 0 HE1 TRP A 141 53.055 14.210 38.043 1.00 12.67 H new ATOM 0 HE3 TRP A 141 48.810 16.061 39.842 1.00 12.02 H new ATOM 0 HZ2 TRP A 141 50.747 13.182 36.725 1.00 9.78 H new ATOM 0 HZ3 TRP A 141 47.464 14.842 38.369 1.00 11.40 H new ATOM 0 HH2 TRP A 141 48.436 13.394 36.809 1.00 12.73 H new ATOM 1843 N GLY A 142 51.000 17.646 44.568 1.00 14.67 N ATOM 1844 CA GLY A 142 51.065 18.799 45.498 1.00 15.58 C ATOM 1845 C GLY A 142 52.347 18.828 46.314 1.00 15.34 C ATOM 1846 O GLY A 142 53.177 17.949 46.182 1.00 17.17 O ATOM 0 H GLY A 142 50.568 16.959 44.852 1.00 14.67 H new ATOM 0 HA2 GLY A 142 50.991 19.623 44.991 1.00 15.58 H new ATOM 0 HA3 GLY A 142 50.305 18.767 46.099 1.00 15.58 H new ATOM 1850 N ASN A 143 52.438 19.838 47.120 1.00 15.94 N ATOM 1851 CA ASN A 143 53.611 20.060 47.998 1.00 17.77 C ATOM 1852 C ASN A 143 53.998 18.815 48.756 1.00 20.80 C ATOM 1853 O ASN A 143 53.103 18.080 49.171 1.00 19.18 O ATOM 1854 CB ASN A 143 53.253 21.192 48.965 1.00 19.77 C ATOM 1855 CG ASN A 143 54.484 21.668 49.750 1.00 21.42 C ATOM 1856 OD1 ASN A 143 55.628 21.375 49.431 1.00 25.99 O ATOM 1857 ND2 ASN A 143 54.304 22.417 50.790 1.00 25.20 N ATOM 0 H ASN A 143 51.828 20.439 47.196 1.00 15.94 H new ATOM 0 HA ASN A 143 54.380 20.296 47.456 1.00 17.77 H new ATOM 0 HB2 ASN A 143 52.876 21.936 48.470 1.00 19.77 H new ATOM 0 HB3 ASN A 143 52.571 20.888 49.584 1.00 19.77 H new ATOM 0 HD21 ASN A 143 54.981 22.697 51.240 1.00 25.20 H new ATOM 0 HD22 ASN A 143 53.507 22.634 51.031 1.00 25.20 H new ATOM 1864 N THR A 144 55.291 18.623 48.914 1.00 21.68 N ATOM 1865 CA THR A 144 55.832 17.445 49.637 1.00 23.46 C ATOM 1866 C THR A 144 56.473 17.787 50.959 1.00 25.35 C ATOM 1867 O THR A 144 56.943 16.881 51.624 1.00 25.87 O ATOM 1868 CB THR A 144 56.874 16.749 48.755 1.00 22.35 C ATOM 1869 OG1 THR A 144 57.813 17.769 48.415 1.00 25.04 O ATOM 1870 CG2 THR A 144 56.242 16.233 47.451 1.00 21.83 C ATOM 0 H THR A 144 55.893 19.159 48.614 1.00 21.68 H new ATOM 0 HA THR A 144 55.076 16.867 49.827 1.00 23.46 H new ATOM 0 HB THR A 144 57.267 15.993 49.218 1.00 22.35 H new ATOM 0 HG1 THR A 144 57.453 18.317 47.890 1.00 25.04 H new ATOM 0 HG21 THR A 144 56.921 15.798 46.912 1.00 21.83 H new ATOM 0 HG22 THR A 144 55.540 15.597 47.661 1.00 21.83 H new ATOM 0 HG23 THR A 144 55.866 16.978 46.957 1.00 21.83 H new ATOM 1878 N LYS A 145 56.486 19.033 51.325 1.00 30.59 N ATOM 1879 CA LYS A 145 57.121 19.414 52.633 1.00 36.02 C ATOM 1880 C LYS A 145 56.076 19.958 53.589 1.00 37.64 C ATOM 1881 O LYS A 145 55.248 20.737 53.178 1.00 38.59 O ATOM 1882 CB LYS A 145 58.186 20.496 52.375 1.00 36.52 C ATOM 1883 CG LYS A 145 59.301 19.918 51.448 1.00 38.35 C ATOM 1884 CD LYS A 145 60.252 18.957 52.234 0.28 39.67 C ATOM 1885 CE LYS A 145 61.152 18.148 51.255 0.28 40.10 C ATOM 1886 NZ LYS A 145 60.346 17.108 50.552 0.28 41.91 N ATOM 0 H LYS A 145 56.153 19.684 50.873 1.00 30.59 H new ATOM 0 HA LYS A 145 57.529 18.628 53.029 1.00 36.02 H new ATOM 0 HB2 LYS A 145 57.778 21.273 51.961 1.00 36.52 H new ATOM 0 HB3 LYS A 145 58.571 20.791 53.215 1.00 36.52 H new ATOM 0 HG2 LYS A 145 58.894 19.440 50.708 1.00 38.35 H new ATOM 0 HG3 LYS A 145 59.817 20.646 51.066 1.00 38.35 H new ATOM 0 HD2 LYS A 145 60.807 19.470 52.841 0.28 39.67 H new ATOM 0 HD3 LYS A 145 59.727 18.348 52.776 0.28 39.67 H new ATOM 0 HE2 LYS A 145 61.555 18.746 50.607 0.28 40.10 H new ATOM 0 HE3 LYS A 145 61.877 17.729 51.744 0.28 40.10 H new ATOM 0 HZ1 LYS A 145 60.890 16.561 50.108 0.28 41.91 H new ATOM 0 HZ2 LYS A 145 59.878 16.641 51.148 0.28 41.91 H new ATOM 0 HZ3 LYS A 145 59.789 17.501 49.980 0.28 41.91 H new ATOM 1900 N SER A 146 56.141 19.549 54.822 1.00 42.58 N ATOM 1901 CA SER A 146 55.164 20.019 55.879 1.00 44.01 C ATOM 1902 C SER A 146 55.539 21.468 56.264 1.00 44.02 C ATOM 1903 O SER A 146 54.744 22.389 56.308 1.00 45.19 O ATOM 1904 CB SER A 146 55.280 19.119 57.152 1.00 43.63 C ATOM 1905 OG SER A 146 56.304 18.168 56.811 0.01 44.29 O ATOM 0 H SER A 146 56.733 18.995 55.110 1.00 42.58 H new ATOM 0 HA SER A 146 54.258 19.971 55.535 1.00 44.01 H new ATOM 0 HB2 SER A 146 55.524 19.639 57.934 1.00 43.63 H new ATOM 0 HB3 SER A 146 54.439 18.679 57.354 1.00 43.63 H new ATOM 0 HG SER A 146 56.426 17.644 57.456 0.01 44.29 H new ATOM 1911 N SER A 147 56.793 21.598 56.543 0.59 43.52 N ATOM 1912 CA SER A 147 57.374 22.895 56.940 0.27 43.28 C ATOM 1913 C SER A 147 58.292 23.322 55.799 0.59 42.54 C ATOM 1914 O SER A 147 59.499 23.350 55.944 0.59 42.27 O ATOM 1915 CB SER A 147 58.135 22.648 58.245 0.27 43.75 C ATOM 1916 OG SER A 147 57.245 21.853 59.037 0.27 43.29 O ATOM 0 H SER A 147 57.359 20.951 56.516 0.59 43.52 H new ATOM 0 HA SER A 147 56.723 23.597 57.092 0.27 43.28 H new ATOM 0 HB2 SER A 147 58.972 22.185 58.083 0.27 43.75 H new ATOM 0 HB3 SER A 147 58.353 23.482 58.689 0.27 43.75 H new ATOM 0 HG SER A 147 57.606 21.679 59.775 0.27 43.29 H new ATOM 1922 N GLY A 148 57.729 23.645 54.675 0.70 41.68 N ATOM 1923 CA GLY A 148 58.587 24.072 53.528 0.70 41.54 C ATOM 1924 C GLY A 148 57.798 23.936 52.244 0.70 42.32 C ATOM 1925 O GLY A 148 56.621 23.624 52.291 0.70 40.89 O ATOM 0 H GLY A 148 56.883 23.636 54.523 0.70 41.68 H new ATOM 0 HA2 GLY A 148 58.875 24.991 53.649 0.70 41.54 H new ATOM 0 HA3 GLY A 148 59.388 23.527 53.488 0.70 41.54 H new ATOM 1929 N THR A 149 58.427 24.195 51.134 1.00 41.28 N ATOM 1930 CA THR A 149 57.712 24.071 49.847 0.74 40.16 C ATOM 1931 C THR A 149 58.582 23.327 48.834 1.00 39.75 C ATOM 1932 O THR A 149 59.702 23.768 48.630 1.00 40.86 O ATOM 1933 CB THR A 149 57.409 25.473 49.356 0.74 42.02 C ATOM 1934 OG1 THR A 149 56.630 26.069 50.401 0.74 43.54 O ATOM 1935 CG2 THR A 149 56.497 25.410 48.128 0.74 42.76 C ATOM 0 H THR A 149 59.249 24.440 51.078 1.00 41.28 H new ATOM 0 HA THR A 149 56.890 23.568 49.958 0.74 40.16 H new ATOM 0 HB THR A 149 58.225 25.951 49.138 0.74 42.02 H new ATOM 0 HG1 THR A 149 56.429 26.856 50.187 0.74 43.54 H new ATOM 0 HG21 THR A 149 56.307 26.310 47.819 0.74 42.76 H new ATOM 0 HG22 THR A 149 56.939 24.913 47.422 0.74 42.76 H new ATOM 0 HG23 THR A 149 55.667 24.968 48.364 0.74 42.76 H new ATOM 1943 N SER A 150 58.092 22.260 48.252 1.00 35.16 N ATOM 1944 CA SER A 150 58.865 21.499 47.245 1.00 31.24 C ATOM 1945 C SER A 150 57.744 20.857 46.467 1.00 27.29 C ATOM 1946 O SER A 150 56.998 20.046 46.993 1.00 26.52 O ATOM 1947 CB SER A 150 59.730 20.397 47.861 1.00 33.68 C ATOM 1948 OG SER A 150 60.450 19.873 46.744 1.00 35.75 O ATOM 0 H SER A 150 57.310 21.942 48.414 1.00 35.16 H new ATOM 0 HA SER A 150 59.482 22.056 46.745 1.00 31.24 H new ATOM 0 HB2 SER A 150 60.329 20.750 48.538 1.00 33.68 H new ATOM 0 HB3 SER A 150 59.189 19.715 48.288 1.00 33.68 H new ATOM 0 HG SER A 150 60.957 19.255 47.002 1.00 35.75 H new ATOM 1954 N TYR A 151 57.656 21.251 45.245 1.00 22.93 N ATOM 1955 CA TYR A 151 56.594 20.689 44.389 1.00 20.86 C ATOM 1956 C TYR A 151 57.254 19.688 43.487 1.00 20.31 C ATOM 1957 O TYR A 151 58.205 20.058 42.820 1.00 21.53 O ATOM 1958 CB TYR A 151 55.972 21.781 43.555 1.00 22.40 C ATOM 1959 CG TYR A 151 54.920 22.473 44.407 1.00 24.51 C ATOM 1960 CD1 TYR A 151 53.595 22.136 44.239 1.00 26.85 C ATOM 1961 CD2 TYR A 151 55.257 23.426 45.334 1.00 26.55 C ATOM 1962 CE1 TYR A 151 52.624 22.735 44.981 1.00 27.99 C ATOM 1963 CE2 TYR A 151 54.276 24.029 46.078 1.00 29.16 C ATOM 1964 CZ TYR A 151 52.963 23.690 45.905 1.00 30.02 C ATOM 1965 OH TYR A 151 51.993 24.314 46.654 1.00 33.73 O ATOM 0 H TYR A 151 58.172 21.827 44.869 1.00 22.93 H new ATOM 0 HA TYR A 151 55.896 20.280 44.925 1.00 20.86 H new ATOM 0 HB2 TYR A 151 56.647 22.415 43.267 1.00 22.40 H new ATOM 0 HB3 TYR A 151 55.571 21.410 42.754 1.00 22.40 H new ATOM 0 HD1 TYR A 151 53.361 21.491 43.611 1.00 26.85 H new ATOM 0 HD2 TYR A 151 56.148 23.662 45.457 1.00 26.55 H new ATOM 0 HE1 TYR A 151 51.733 22.497 44.862 1.00 27.99 H new ATOM 0 HE2 TYR A 151 54.506 24.675 46.706 1.00 29.16 H new ATOM 0 HH TYR A 151 52.353 24.869 47.172 1.00 33.73 H new ATOM 1975 N PRO A 152 56.761 18.473 43.462 1.00 17.34 N ATOM 1976 CA PRO A 152 57.361 17.400 42.631 1.00 17.84 C ATOM 1977 C PRO A 152 56.886 17.500 41.171 1.00 17.94 C ATOM 1978 O PRO A 152 55.883 18.129 40.887 1.00 20.60 O ATOM 1979 CB PRO A 152 56.911 16.125 43.343 1.00 16.77 C ATOM 1980 CG PRO A 152 55.473 16.502 43.810 1.00 15.05 C ATOM 1981 CD PRO A 152 55.577 17.990 44.239 1.00 16.06 C ATOM 0 HA PRO A 152 58.327 17.444 42.557 1.00 17.84 H new ATOM 0 HB2 PRO A 152 56.910 15.359 42.748 1.00 16.77 H new ATOM 0 HB3 PRO A 152 57.489 15.904 44.090 1.00 16.77 H new ATOM 0 HG2 PRO A 152 54.828 16.385 43.095 1.00 15.05 H new ATOM 0 HG3 PRO A 152 55.183 15.942 44.547 1.00 15.05 H new ATOM 0 HD2 PRO A 152 54.774 18.486 44.017 1.00 16.06 H new ATOM 0 HD3 PRO A 152 55.712 18.081 45.195 1.00 16.06 H new ATOM 1989 N ASP A 153 57.601 16.877 40.291 1.00 18.90 N ATOM 1990 CA ASP A 153 57.199 16.919 38.853 1.00 19.71 C ATOM 1991 C ASP A 153 56.485 15.608 38.493 1.00 18.13 C ATOM 1992 O ASP A 153 55.716 15.606 37.544 1.00 16.67 O ATOM 1993 CB ASP A 153 58.470 17.142 37.992 1.00 23.74 C ATOM 1994 CG ASP A 153 59.035 18.568 38.282 1.00 28.96 C ATOM 1995 OD1 ASP A 153 58.231 19.482 38.271 1.00 31.03 O ATOM 1996 OD2 ASP A 153 60.233 18.701 38.500 1.00 35.46 O ATOM 0 H ASP A 153 58.312 16.425 40.463 1.00 18.90 H new ATOM 0 HA ASP A 153 56.583 17.648 38.682 1.00 19.71 H new ATOM 0 HB2 ASP A 153 59.137 16.469 38.198 1.00 23.74 H new ATOM 0 HB3 ASP A 153 58.257 17.051 37.050 1.00 23.74 H new ATOM 2001 N VAL A 154 56.742 14.548 39.231 1.00 15.34 N ATOM 2002 CA VAL A 154 56.100 13.234 38.982 1.00 13.53 C ATOM 2003 C VAL A 154 55.098 12.988 40.171 1.00 12.70 C ATOM 2004 O VAL A 154 55.211 13.538 41.259 1.00 13.66 O ATOM 2005 CB VAL A 154 57.165 12.137 38.927 1.00 14.18 C ATOM 2006 CG1 VAL A 154 58.044 12.362 37.680 1.00 14.37 C ATOM 2007 CG2 VAL A 154 58.006 12.126 40.208 1.00 14.88 C ATOM 0 H VAL A 154 57.290 14.551 39.894 1.00 15.34 H new ATOM 0 HA VAL A 154 55.629 13.222 38.134 1.00 13.53 H new ATOM 0 HB VAL A 154 56.736 11.269 38.863 1.00 14.18 H new ATOM 0 HG11 VAL A 154 58.724 11.672 37.634 1.00 14.37 H new ATOM 0 HG12 VAL A 154 57.492 12.325 36.883 1.00 14.37 H new ATOM 0 HG13 VAL A 154 58.470 13.232 37.737 1.00 14.37 H new ATOM 0 HG21 VAL A 154 58.673 11.424 40.151 1.00 14.88 H new ATOM 0 HG22 VAL A 154 58.447 12.983 40.313 1.00 14.88 H new ATOM 0 HG23 VAL A 154 57.431 11.963 40.972 1.00 14.88 H new ATOM 2017 N LEU A 155 54.162 12.140 39.877 1.00 11.26 N ATOM 2018 CA LEU A 155 53.086 11.761 40.806 1.00 10.72 C ATOM 2019 C LEU A 155 53.576 11.031 42.017 1.00 13.69 C ATOM 2020 O LEU A 155 54.390 10.122 41.934 1.00 14.28 O ATOM 2021 CB LEU A 155 52.100 10.925 39.971 1.00 10.10 C ATOM 2022 CG LEU A 155 50.707 10.766 40.622 1.00 12.15 C ATOM 2023 CD1 LEU A 155 49.985 12.148 40.725 1.00 12.46 C ATOM 2024 CD2 LEU A 155 49.869 9.797 39.744 1.00 13.53 C ATOM 0 H LEU A 155 54.112 11.744 39.115 1.00 11.26 H new ATOM 0 HA LEU A 155 52.660 12.549 41.178 1.00 10.72 H new ATOM 0 HB2 LEU A 155 51.995 11.339 39.100 1.00 10.10 H new ATOM 0 HB3 LEU A 155 52.480 10.045 39.823 1.00 10.10 H new ATOM 0 HG LEU A 155 50.805 10.412 41.520 1.00 12.15 H new ATOM 0 HD11 LEU A 155 49.114 12.029 41.135 1.00 12.46 H new ATOM 0 HD12 LEU A 155 50.517 12.752 41.267 1.00 12.46 H new ATOM 0 HD13 LEU A 155 49.875 12.523 39.837 1.00 12.46 H new ATOM 0 HD21 LEU A 155 48.989 9.684 40.136 1.00 13.53 H new ATOM 0 HD22 LEU A 155 49.779 10.165 38.851 1.00 13.53 H new ATOM 0 HD23 LEU A 155 50.314 8.937 39.696 1.00 13.53 H new ATOM 2036 N LYS A 156 53.028 11.473 43.101 1.00 13.38 N ATOM 2037 CA LYS A 156 53.356 10.902 44.416 1.00 14.87 C ATOM 2038 C LYS A 156 52.064 10.208 44.881 1.00 14.31 C ATOM 2039 O LYS A 156 50.980 10.661 44.551 1.00 13.44 O ATOM 2040 CB LYS A 156 53.749 12.020 45.393 1.00 17.01 C ATOM 2041 CG LYS A 156 54.978 12.753 44.820 1.00 18.92 C ATOM 2042 CD LYS A 156 56.200 11.826 44.902 1.00 23.40 C ATOM 2043 CE LYS A 156 57.430 12.467 44.205 1.00 26.19 C ATOM 2044 NZ LYS A 156 58.659 11.780 44.686 1.00 26.27 N ATOM 0 H LYS A 156 52.452 12.112 43.123 1.00 13.38 H new ATOM 0 HA LYS A 156 54.104 10.286 44.375 1.00 14.87 H new ATOM 0 HB2 LYS A 156 53.012 12.639 45.513 1.00 17.01 H new ATOM 0 HB3 LYS A 156 53.953 11.650 46.266 1.00 17.01 H new ATOM 0 HG2 LYS A 156 54.815 13.011 43.899 1.00 18.92 H new ATOM 0 HG3 LYS A 156 55.143 13.569 45.318 1.00 18.92 H new ATOM 0 HD2 LYS A 156 56.409 11.642 45.831 1.00 23.40 H new ATOM 0 HD3 LYS A 156 55.994 10.975 44.484 1.00 23.40 H new ATOM 0 HE2 LYS A 156 57.353 12.383 43.242 1.00 26.19 H new ATOM 0 HE3 LYS A 156 57.474 13.415 44.405 1.00 26.19 H new ATOM 0 HZ1 LYS A 156 59.375 12.251 44.447 1.00 26.27 H new ATOM 0 HZ2 LYS A 156 58.633 11.711 45.573 1.00 26.27 H new ATOM 0 HZ3 LYS A 156 58.705 10.967 44.326 1.00 26.27 H new ATOM 2058 N CYS A 157 52.289 9.166 45.643 1.00 12.58 N ATOM 2059 CA CYS A 157 51.247 8.303 46.219 1.00 12.80 C ATOM 2060 C CYS A 157 51.381 8.166 47.691 1.00 12.95 C ATOM 2061 O CYS A 157 52.479 8.286 48.203 1.00 15.92 O ATOM 2062 CB CYS A 157 51.384 6.958 45.588 1.00 12.04 C ATOM 2063 SG CYS A 157 50.624 6.764 43.960 1.00 14.37 S ATOM 0 H CYS A 157 53.084 8.918 45.858 1.00 12.58 H new ATOM 0 HA CYS A 157 50.379 8.700 46.046 1.00 12.80 H new ATOM 0 HB2 CYS A 157 52.329 6.752 45.511 1.00 12.04 H new ATOM 0 HB3 CYS A 157 50.998 6.299 46.186 1.00 12.04 H new ATOM 2068 N LEU A 158 50.279 7.916 48.330 1.00 14.19 N ATOM 2069 CA LEU A 158 50.264 7.744 49.796 1.00 15.06 C ATOM 2070 C LEU A 158 49.163 6.727 50.161 1.00 16.18 C ATOM 2071 O LEU A 158 48.045 6.831 49.685 1.00 16.63 O ATOM 2072 CB LEU A 158 49.995 9.102 50.420 1.00 16.32 C ATOM 2073 CG LEU A 158 49.726 9.021 51.959 1.00 18.59 C ATOM 2074 CD1 LEU A 158 50.988 8.597 52.724 1.00 19.18 C ATOM 2075 CD2 LEU A 158 49.295 10.409 52.476 1.00 20.30 C ATOM 0 H LEU A 158 49.510 7.837 47.953 1.00 14.19 H new ATOM 0 HA LEU A 158 51.110 7.406 50.128 1.00 15.06 H new ATOM 0 HB2 LEU A 158 50.755 9.683 50.259 1.00 16.32 H new ATOM 0 HB3 LEU A 158 49.230 9.508 49.983 1.00 16.32 H new ATOM 0 HG LEU A 158 49.029 8.362 52.106 1.00 18.59 H new ATOM 0 HD11 LEU A 158 50.793 8.555 53.673 1.00 19.18 H new ATOM 0 HD12 LEU A 158 51.276 7.724 52.415 1.00 19.18 H new ATOM 0 HD13 LEU A 158 51.694 9.244 52.568 1.00 19.18 H new ATOM 0 HD21 LEU A 158 49.128 10.361 53.430 1.00 20.30 H new ATOM 0 HD22 LEU A 158 50.000 11.052 52.304 1.00 20.30 H new ATOM 0 HD23 LEU A 158 48.486 10.687 52.020 1.00 20.30 H new ATOM 2087 N LYS A 159 49.481 5.780 50.988 1.00 16.53 N ATOM 2088 CA LYS A 159 48.472 4.789 51.394 1.00 19.43 C ATOM 2089 C LYS A 159 48.114 5.294 52.797 1.00 18.68 C ATOM 2090 O LYS A 159 48.986 5.530 53.616 1.00 17.06 O ATOM 2091 CB LYS A 159 49.086 3.432 51.463 1.00 23.13 C ATOM 2092 CG LYS A 159 49.223 2.884 50.034 1.00 28.38 C ATOM 2093 CD LYS A 159 49.814 1.441 50.140 1.00 32.89 C ATOM 2094 CE LYS A 159 49.755 0.757 48.761 1.00 36.39 C ATOM 2095 NZ LYS A 159 50.827 1.295 47.879 1.00 37.70 N ATOM 0 H LYS A 159 50.260 5.673 51.336 1.00 16.53 H new ATOM 0 HA LYS A 159 47.715 4.708 50.793 1.00 19.43 H new ATOM 0 HB2 LYS A 159 49.955 3.477 51.891 1.00 23.13 H new ATOM 0 HB3 LYS A 159 48.536 2.840 51.999 1.00 23.13 H new ATOM 0 HG2 LYS A 159 48.360 2.868 49.590 1.00 28.38 H new ATOM 0 HG3 LYS A 159 49.804 3.453 49.505 1.00 28.38 H new ATOM 0 HD2 LYS A 159 50.731 1.479 50.453 1.00 32.89 H new ATOM 0 HD3 LYS A 159 49.313 0.923 50.790 1.00 32.89 H new ATOM 0 HE2 LYS A 159 49.860 -0.202 48.863 1.00 36.39 H new ATOM 0 HE3 LYS A 159 48.887 0.906 48.355 1.00 36.39 H new ATOM 0 HZ1 LYS A 159 50.852 0.827 47.123 1.00 37.70 H new ATOM 0 HZ2 LYS A 159 50.658 2.149 47.693 1.00 37.70 H new ATOM 0 HZ3 LYS A 159 51.612 1.232 48.293 1.00 37.70 H new ATOM 2109 N ALA A 160 46.840 5.462 53.016 1.00 17.29 N ATOM 2110 CA ALA A 160 46.361 5.950 54.321 1.00 17.64 C ATOM 2111 C ALA A 160 44.978 5.364 54.626 1.00 17.32 C ATOM 2112 O ALA A 160 44.153 5.172 53.746 1.00 14.73 O ATOM 2113 CB ALA A 160 46.247 7.487 54.323 1.00 17.62 C ATOM 0 H ALA A 160 46.222 5.306 52.439 1.00 17.29 H new ATOM 0 HA ALA A 160 47.001 5.671 54.995 1.00 17.64 H new ATOM 0 HB1 ALA A 160 45.931 7.787 55.189 1.00 17.62 H new ATOM 0 HB2 ALA A 160 47.117 7.876 54.144 1.00 17.62 H new ATOM 0 HB3 ALA A 160 45.621 7.766 53.636 1.00 17.62 H new ATOM 2119 N PRO A 161 44.740 5.103 55.885 1.00 15.60 N ATOM 2120 CA PRO A 161 43.444 4.583 56.311 1.00 16.43 C ATOM 2121 C PRO A 161 42.454 5.658 56.690 1.00 13.96 C ATOM 2122 O PRO A 161 42.834 6.760 57.057 1.00 12.09 O ATOM 2123 CB PRO A 161 43.761 3.698 57.505 1.00 16.79 C ATOM 2124 CG PRO A 161 44.867 4.561 58.216 1.00 16.90 C ATOM 2125 CD PRO A 161 45.679 5.229 57.038 1.00 14.08 C ATOM 0 HA PRO A 161 43.013 4.108 55.583 1.00 16.43 H new ATOM 0 HB2 PRO A 161 42.987 3.551 58.071 1.00 16.79 H new ATOM 0 HB3 PRO A 161 44.089 2.824 57.240 1.00 16.79 H new ATOM 0 HG2 PRO A 161 44.472 5.231 58.795 1.00 16.90 H new ATOM 0 HG3 PRO A 161 45.441 4.010 58.771 1.00 16.90 H new ATOM 0 HD2 PRO A 161 45.895 6.155 57.228 1.00 14.08 H new ATOM 0 HD3 PRO A 161 46.518 4.771 56.872 1.00 14.08 H new ATOM 2133 N ILE A 162 41.221 5.251 56.591 1.00 12.54 N ATOM 2134 CA ILE A 162 40.126 6.146 56.945 1.00 12.68 C ATOM 2135 C ILE A 162 40.149 6.087 58.472 1.00 10.68 C ATOM 2136 O ILE A 162 40.297 5.025 59.049 1.00 13.29 O ATOM 2137 CB ILE A 162 38.825 5.586 56.396 1.00 13.28 C ATOM 2138 CG1 ILE A 162 38.913 5.700 54.867 1.00 14.39 C ATOM 2139 CG2 ILE A 162 37.627 6.344 56.987 1.00 14.01 C ATOM 2140 CD1 ILE A 162 37.626 5.265 54.195 1.00 14.73 C ATOM 0 H ILE A 162 40.983 4.469 56.324 1.00 12.54 H new ATOM 0 HA ILE A 162 40.206 7.048 56.596 1.00 12.68 H new ATOM 0 HB ILE A 162 38.692 4.657 56.643 1.00 13.28 H new ATOM 0 HG12 ILE A 162 39.112 6.617 54.622 1.00 14.39 H new ATOM 0 HG13 ILE A 162 39.647 5.155 54.544 1.00 14.39 H new ATOM 0 HG21 ILE A 162 36.803 5.977 56.629 1.00 14.01 H new ATOM 0 HG22 ILE A 162 37.629 6.251 57.953 1.00 14.01 H new ATOM 0 HG23 ILE A 162 37.691 7.283 56.753 1.00 14.01 H new ATOM 0 HD11 ILE A 162 37.718 5.350 53.233 1.00 14.73 H new ATOM 0 HD12 ILE A 162 37.439 4.340 54.421 1.00 14.73 H new ATOM 0 HD13 ILE A 162 36.896 5.826 54.500 1.00 14.73 H new ATOM 2152 N LEU A 163 39.978 7.217 59.074 1.00 12.84 N ATOM 2153 CA LEU A 163 39.979 7.332 60.561 1.00 15.38 C ATOM 2154 C LEU A 163 38.522 7.364 61.074 1.00 16.36 C ATOM 2155 O LEU A 163 37.596 7.611 60.316 1.00 15.43 O ATOM 2156 CB LEU A 163 40.686 8.640 60.979 1.00 16.35 C ATOM 2157 CG LEU A 163 42.157 8.707 60.450 1.00 20.65 C ATOM 2158 CD1 LEU A 163 42.769 10.087 60.808 1.00 23.35 C ATOM 2159 CD2 LEU A 163 42.986 7.629 61.141 1.00 23.34 C ATOM 0 H LEU A 163 39.855 7.962 58.663 1.00 12.84 H new ATOM 0 HA LEU A 163 40.447 6.571 60.940 1.00 15.38 H new ATOM 0 HB2 LEU A 163 40.186 9.399 60.640 1.00 16.35 H new ATOM 0 HB3 LEU A 163 40.688 8.711 61.946 1.00 16.35 H new ATOM 0 HG LEU A 163 42.159 8.575 59.489 1.00 20.65 H new ATOM 0 HD11 LEU A 163 43.681 10.131 60.481 1.00 23.35 H new ATOM 0 HD12 LEU A 163 42.244 10.791 60.396 1.00 23.35 H new ATOM 0 HD13 LEU A 163 42.765 10.203 61.771 1.00 23.35 H new ATOM 0 HD21 LEU A 163 43.900 7.666 60.817 1.00 23.34 H new ATOM 0 HD22 LEU A 163 42.977 7.778 62.099 1.00 23.34 H new ATOM 0 HD23 LEU A 163 42.609 6.757 60.947 1.00 23.34 H new ATOM 2171 N SER A 164 38.357 7.124 62.345 1.00 17.62 N ATOM 2172 CA SER A 164 37.014 7.122 62.945 1.00 18.61 C ATOM 2173 C SER A 164 36.566 8.586 62.939 1.00 17.67 C ATOM 2174 O SER A 164 37.370 9.492 63.064 1.00 15.42 O ATOM 2175 CB SER A 164 37.100 6.567 64.405 1.00 18.93 C ATOM 2176 OG SER A 164 37.984 7.428 65.132 1.00 22.08 O ATOM 0 H SER A 164 38.997 6.958 62.894 1.00 17.62 H new ATOM 0 HA SER A 164 36.387 6.562 62.461 1.00 18.61 H new ATOM 0 HB2 SER A 164 36.222 6.550 64.817 1.00 18.93 H new ATOM 0 HB3 SER A 164 37.432 5.655 64.406 1.00 18.93 H new ATOM 0 HG SER A 164 37.569 7.780 65.772 1.00 22.08 H new ATOM 2182 N ASP A 165 35.293 8.766 62.815 1.00 19.80 N ATOM 2183 CA ASP A 165 34.768 10.139 62.794 1.00 23.99 C ATOM 2184 C ASP A 165 35.005 10.767 64.116 1.00 21.91 C ATOM 2185 O ASP A 165 35.041 11.972 64.179 1.00 19.08 O ATOM 2186 CB ASP A 165 33.255 10.133 62.464 1.00 27.72 C ATOM 2187 CG ASP A 165 33.038 9.905 60.936 1.00 32.47 C ATOM 2188 OD1 ASP A 165 33.574 10.712 60.187 1.00 35.42 O ATOM 2189 OD2 ASP A 165 32.355 8.955 60.590 1.00 36.10 O ATOM 0 H ASP A 165 34.707 8.141 62.741 1.00 19.80 H new ATOM 0 HA ASP A 165 35.224 10.649 62.107 1.00 23.99 H new ATOM 0 HB2 ASP A 165 32.810 9.434 62.969 1.00 27.72 H new ATOM 0 HB3 ASP A 165 32.855 10.975 62.732 1.00 27.72 H new ATOM 2194 N SER A 166 35.177 10.008 65.154 1.00 22.40 N ATOM 2195 CA SER A 166 35.412 10.707 66.444 1.00 24.36 C ATOM 2196 C SER A 166 36.812 11.304 66.497 1.00 22.65 C ATOM 2197 O SER A 166 36.980 12.355 67.086 1.00 22.03 O ATOM 2198 CB ASER A 166 35.193 9.678 67.602 0.50 27.54 C ATOM 2199 CB BSER A 166 35.152 9.721 67.631 0.50 26.56 C ATOM 2200 OG ASER A 166 35.457 8.375 67.031 0.50 29.13 O ATOM 2201 OG BSER A 166 36.254 8.847 67.749 0.50 28.18 O ATOM 0 H SER A 166 35.169 9.148 65.171 1.00 22.40 H new ATOM 0 HA SER A 166 34.789 11.445 66.537 1.00 24.36 H new ATOM 0 HB2ASER A 166 35.790 9.859 68.345 0.50 26.56 H new ATOM 0 HB2BSER A 166 35.026 10.215 68.456 0.50 26.56 H new ATOM 0 HB3ASER A 166 34.288 9.730 67.946 0.50 26.56 H new ATOM 0 HB3BSER A 166 34.338 9.216 67.476 0.50 26.56 H new ATOM 0 HG ASER A 166 35.353 7.785 67.619 0.50 28.18 H new ATOM 0 HG BSER A 166 36.123 8.315 68.385 0.50 28.18 H new ATOM 2210 N SER A 167 37.802 10.670 65.912 1.00 21.68 N ATOM 2211 CA SER A 167 39.168 11.264 65.971 1.00 21.63 C ATOM 2212 C SER A 167 39.166 12.429 64.987 1.00 17.63 C ATOM 2213 O SER A 167 39.890 13.392 65.130 1.00 18.20 O ATOM 2214 CB SER A 167 40.224 10.233 65.576 1.00 23.12 C ATOM 2215 OG SER A 167 39.569 9.413 64.631 1.00 28.61 O ATOM 0 H SER A 167 37.736 9.925 65.487 1.00 21.68 H new ATOM 0 HA SER A 167 39.384 11.559 66.870 1.00 21.63 H new ATOM 0 HB2 SER A 167 41.008 10.657 65.194 1.00 23.12 H new ATOM 0 HB3 SER A 167 40.524 9.720 66.343 1.00 23.12 H new ATOM 0 HG SER A 167 39.222 8.756 65.023 1.00 28.61 H new ATOM 2221 N CYS A 168 38.348 12.326 63.980 1.00 16.43 N ATOM 2222 CA CYS A 168 38.255 13.425 62.956 1.00 15.73 C ATOM 2223 C CYS A 168 37.614 14.658 63.623 1.00 14.20 C ATOM 2224 O CYS A 168 38.151 15.739 63.612 1.00 13.71 O ATOM 2225 CB CYS A 168 37.405 12.906 61.777 1.00 16.91 C ATOM 2226 SG CYS A 168 37.270 13.907 60.300 1.00 14.67 S ATOM 0 H CYS A 168 37.830 11.654 63.839 1.00 16.43 H new ATOM 0 HA CYS A 168 39.128 13.682 62.619 1.00 15.73 H new ATOM 0 HB2 CYS A 168 37.763 12.044 61.515 1.00 16.91 H new ATOM 0 HB3 CYS A 168 36.507 12.751 62.109 1.00 16.91 H new ATOM 2231 N LYS A 169 36.463 14.478 64.209 1.00 14.29 N ATOM 2232 CA LYS A 169 35.748 15.582 64.892 1.00 15.04 C ATOM 2233 C LYS A 169 36.519 16.131 66.099 1.00 15.01 C ATOM 2234 O LYS A 169 36.448 17.319 66.318 1.00 14.97 O ATOM 2235 CB LYS A 169 34.383 15.061 65.318 1.00 16.63 C ATOM 2236 CG LYS A 169 33.483 14.838 64.048 1.00 16.45 C ATOM 2237 CD LYS A 169 32.164 14.167 64.483 1.00 18.37 C ATOM 2238 CE LYS A 169 31.174 14.012 63.324 1.00 20.97 C ATOM 2239 NZ LYS A 169 29.990 13.219 63.781 1.00 22.47 N ATOM 0 H LYS A 169 36.054 13.722 64.236 1.00 14.29 H new ATOM 0 HA LYS A 169 35.658 16.325 64.275 1.00 15.04 H new ATOM 0 HB2 LYS A 169 34.482 14.228 65.805 1.00 16.63 H new ATOM 0 HB3 LYS A 169 33.959 15.693 65.919 1.00 16.63 H new ATOM 0 HG2 LYS A 169 33.301 15.686 63.613 1.00 16.45 H new ATOM 0 HG3 LYS A 169 33.946 14.281 63.402 1.00 16.45 H new ATOM 0 HD2 LYS A 169 32.357 13.294 64.858 1.00 18.37 H new ATOM 0 HD3 LYS A 169 31.754 14.693 65.187 1.00 18.37 H new ATOM 0 HE2 LYS A 169 30.889 14.885 63.010 1.00 20.97 H new ATOM 0 HE3 LYS A 169 31.604 13.568 62.576 1.00 20.97 H new ATOM 0 HZ1 LYS A 169 29.429 13.104 63.100 1.00 22.47 H new ATOM 0 HZ2 LYS A 169 30.261 12.425 64.079 1.00 22.47 H new ATOM 0 HZ3 LYS A 169 29.575 13.655 64.436 1.00 22.47 H new ATOM 2253 N SER A 170 37.221 15.316 66.847 1.00 17.06 N ATOM 2254 CA SER A 170 37.974 15.884 68.018 1.00 19.20 C ATOM 2255 C SER A 170 39.095 16.796 67.509 1.00 19.32 C ATOM 2256 O SER A 170 39.472 17.749 68.162 1.00 18.54 O ATOM 2257 CB ASER A 170 38.556 14.715 68.854 0.15 18.28 C ATOM 2258 CB BSER A 170 38.546 14.728 68.839 0.64 20.38 C ATOM 2259 OG ASER A 170 39.061 13.772 67.911 0.15 19.14 O ATOM 2260 OG BSER A 170 37.363 14.043 69.242 0.64 22.24 O ATOM 0 H SER A 170 37.294 14.467 66.730 1.00 17.06 H new ATOM 0 HA SER A 170 37.381 16.409 68.578 1.00 19.20 H new ATOM 0 HB2ASER A 170 39.260 15.027 69.444 0.15 20.38 H new ATOM 0 HB2BSER A 170 39.132 14.163 68.312 0.64 20.38 H new ATOM 0 HB3ASER A 170 37.873 14.314 69.414 0.15 20.38 H new ATOM 0 HB3BSER A 170 39.062 15.041 69.599 0.64 20.38 H new ATOM 0 HG ASER A 170 38.467 13.204 67.736 0.15 22.24 H new ATOM 0 HG BSER A 170 37.159 13.471 68.662 0.64 22.24 H new ATOM 2269 N ALA A 171 39.589 16.479 66.335 1.00 18.90 N ATOM 2270 CA ALA A 171 40.678 17.282 65.717 1.00 18.61 C ATOM 2271 C ALA A 171 40.119 18.602 65.175 1.00 18.98 C ATOM 2272 O ALA A 171 40.784 19.617 65.257 1.00 20.70 O ATOM 2273 CB ALA A 171 41.317 16.520 64.551 1.00 17.57 C ATOM 0 H ALA A 171 39.324 15.810 65.864 1.00 18.90 H new ATOM 0 HA ALA A 171 41.344 17.454 66.401 1.00 18.61 H new ATOM 0 HB1 ALA A 171 42.024 17.058 64.161 1.00 17.57 H new ATOM 0 HB2 ALA A 171 41.689 15.685 64.875 1.00 17.57 H new ATOM 0 HB3 ALA A 171 40.644 16.334 63.878 1.00 17.57 H new ATOM 2279 N TYR A 172 38.930 18.565 64.638 1.00 16.46 N ATOM 2280 CA TYR A 172 38.305 19.792 64.076 1.00 16.39 C ATOM 2281 C TYR A 172 36.874 20.063 64.668 1.00 18.03 C ATOM 2282 O TYR A 172 35.871 19.884 63.989 1.00 17.38 O ATOM 2283 CB TYR A 172 38.218 19.616 62.560 1.00 16.91 C ATOM 2284 CG TYR A 172 39.583 19.355 61.870 1.00 16.28 C ATOM 2285 CD1 TYR A 172 39.957 18.102 61.416 1.00 15.59 C ATOM 2286 CD2 TYR A 172 40.444 20.407 61.665 1.00 16.79 C ATOM 2287 CE1 TYR A 172 41.164 17.914 60.765 1.00 16.02 C ATOM 2288 CE2 TYR A 172 41.640 20.220 61.021 1.00 17.07 C ATOM 2289 CZ TYR A 172 42.020 18.975 60.558 1.00 15.92 C ATOM 2290 OH TYR A 172 43.213 18.839 59.886 1.00 15.77 O ATOM 0 H TYR A 172 38.448 17.855 64.576 1.00 16.46 H new ATOM 0 HA TYR A 172 38.851 20.558 64.313 1.00 16.39 H new ATOM 0 HB2 TYR A 172 37.622 18.877 62.364 1.00 16.91 H new ATOM 0 HB3 TYR A 172 37.819 20.412 62.175 1.00 16.91 H new ATOM 0 HD1 TYR A 172 39.390 17.377 61.550 1.00 15.59 H new ATOM 0 HD2 TYR A 172 40.212 21.256 61.967 1.00 16.79 H new ATOM 0 HE1 TYR A 172 41.399 17.066 60.465 1.00 16.02 H new ATOM 0 HE2 TYR A 172 42.207 20.946 60.893 1.00 17.07 H new ATOM 0 HH TYR A 172 43.237 18.090 59.506 1.00 15.77 H new ATOM 2300 N PRO A 173 36.775 20.483 65.906 1.00 16.96 N ATOM 2301 CA PRO A 173 35.461 20.631 66.602 1.00 15.94 C ATOM 2302 C PRO A 173 34.536 21.594 65.873 1.00 16.13 C ATOM 2303 O PRO A 173 34.941 22.675 65.521 1.00 19.45 O ATOM 2304 CB PRO A 173 35.811 21.118 68.004 1.00 17.09 C ATOM 2305 CG PRO A 173 37.261 20.638 68.167 1.00 19.86 C ATOM 2306 CD PRO A 173 37.911 20.851 66.781 1.00 18.58 C ATOM 0 HA PRO A 173 34.970 19.795 66.627 1.00 15.94 H new ATOM 0 HB2 PRO A 173 35.739 22.082 68.080 1.00 17.09 H new ATOM 0 HB3 PRO A 173 35.226 20.735 68.676 1.00 17.09 H new ATOM 0 HG2 PRO A 173 37.723 21.144 68.853 1.00 19.86 H new ATOM 0 HG3 PRO A 173 37.295 19.705 68.431 1.00 19.86 H new ATOM 0 HD2 PRO A 173 38.203 21.766 66.645 1.00 18.58 H new ATOM 0 HD3 PRO A 173 38.685 20.283 66.643 1.00 18.58 H new ATOM 2314 N GLY A 174 33.329 21.196 65.683 1.00 16.08 N ATOM 2315 CA GLY A 174 32.304 22.020 64.984 1.00 17.64 C ATOM 2316 C GLY A 174 32.594 22.258 63.512 1.00 18.66 C ATOM 2317 O GLY A 174 31.914 23.059 62.898 1.00 19.14 O ATOM 0 H GLY A 174 33.038 20.431 65.947 1.00 16.08 H new ATOM 0 HA2 GLY A 174 31.442 21.584 65.067 1.00 17.64 H new ATOM 0 HA3 GLY A 174 32.233 22.877 65.432 1.00 17.64 H new ATOM 2321 N GLN A 175 33.571 21.577 62.960 1.00 17.11 N ATOM 2322 CA GLN A 175 33.880 21.796 61.511 1.00 14.70 C ATOM 2323 C GLN A 175 33.594 20.611 60.576 1.00 15.32 C ATOM 2324 O GLN A 175 33.589 20.804 59.366 1.00 15.80 O ATOM 2325 CB GLN A 175 35.370 22.141 61.369 1.00 16.65 C ATOM 2326 CG GLN A 175 35.762 23.422 62.130 1.00 18.96 C ATOM 2327 CD GLN A 175 37.227 23.701 61.790 1.00 21.72 C ATOM 2328 OE1 GLN A 175 38.092 23.170 62.443 1.00 25.47 O ATOM 2329 NE2 GLN A 175 37.586 24.476 60.812 1.00 23.51 N ATOM 0 H GLN A 175 34.065 21.000 63.363 1.00 17.11 H new ATOM 0 HA GLN A 175 33.284 22.511 61.236 1.00 14.70 H new ATOM 0 HB2 GLN A 175 35.902 21.399 61.697 1.00 16.65 H new ATOM 0 HB3 GLN A 175 35.584 22.250 60.429 1.00 16.65 H new ATOM 0 HG2 GLN A 175 35.199 24.166 61.865 1.00 18.96 H new ATOM 0 HG3 GLN A 175 35.646 23.304 63.086 1.00 18.96 H new ATOM 0 HE21 GLN A 175 36.989 24.866 60.331 1.00 23.51 H new ATOM 0 HE22 GLN A 175 38.421 24.599 60.645 1.00 23.51 H new ATOM 2338 N ILE A 176 33.352 19.451 61.131 1.00 13.64 N ATOM 2339 CA ILE A 176 33.102 18.259 60.257 1.00 13.37 C ATOM 2340 C ILE A 176 31.644 17.937 60.088 1.00 14.88 C ATOM 2341 O ILE A 176 30.932 17.860 61.078 1.00 15.89 O ATOM 2342 CB ILE A 176 33.854 17.034 60.877 1.00 13.34 C ATOM 2343 CG1 ILE A 176 35.357 17.383 61.121 1.00 13.73 C ATOM 2344 CG2 ILE A 176 33.772 15.807 59.957 1.00 14.49 C ATOM 2345 CD1 ILE A 176 36.095 17.817 59.813 1.00 14.74 C ATOM 0 H ILE A 176 33.322 19.303 61.978 1.00 13.64 H new ATOM 0 HA ILE A 176 33.433 18.466 59.369 1.00 13.37 H new ATOM 0 HB ILE A 176 33.423 16.826 61.721 1.00 13.34 H new ATOM 0 HG12 ILE A 176 35.417 18.097 61.774 1.00 13.73 H new ATOM 0 HG13 ILE A 176 35.807 16.612 61.501 1.00 13.73 H new ATOM 0 HG21 ILE A 176 34.245 15.065 60.364 1.00 14.49 H new ATOM 0 HG22 ILE A 176 32.843 15.564 59.824 1.00 14.49 H new ATOM 0 HG23 ILE A 176 34.177 16.017 59.101 1.00 14.49 H new ATOM 0 HD11 ILE A 176 37.021 18.022 60.017 1.00 14.74 H new ATOM 0 HD12 ILE A 176 36.059 17.095 59.166 1.00 14.74 H new ATOM 0 HD13 ILE A 176 35.664 18.603 59.444 1.00 14.74 H new ATOM 2357 N THR A 177 31.258 17.739 58.865 1.00 14.55 N ATOM 2358 CA THR A 177 29.841 17.404 58.574 1.00 15.22 C ATOM 2359 C THR A 177 29.835 15.949 58.063 1.00 12.52 C ATOM 2360 O THR A 177 30.853 15.295 57.866 1.00 10.90 O ATOM 2361 CB THR A 177 29.246 18.320 57.456 1.00 12.29 C ATOM 2362 OG1 THR A 177 30.000 18.045 56.260 1.00 12.34 O ATOM 2363 CG2 THR A 177 29.483 19.787 57.780 1.00 12.63 C ATOM 0 H THR A 177 31.771 17.786 58.176 1.00 14.55 H new ATOM 0 HA THR A 177 29.306 17.528 59.373 1.00 15.22 H new ATOM 0 HB THR A 177 28.295 18.152 57.368 1.00 12.29 H new ATOM 0 HG1 THR A 177 29.716 18.526 55.633 1.00 12.34 H new ATOM 0 HG21 THR A 177 29.108 20.339 57.076 1.00 12.63 H new ATOM 0 HG22 THR A 177 29.057 20.005 58.624 1.00 12.63 H new ATOM 0 HG23 THR A 177 30.436 19.954 57.847 1.00 12.63 H new ATOM 2371 N SER A 178 28.633 15.521 57.858 1.00 13.44 N ATOM 2372 CA SER A 178 28.392 14.156 57.361 1.00 15.45 C ATOM 2373 C SER A 178 28.943 13.962 55.963 1.00 13.69 C ATOM 2374 O SER A 178 29.035 12.824 55.542 1.00 16.03 O ATOM 2375 CB SER A 178 26.853 13.922 57.392 1.00 19.65 C ATOM 2376 OG SER A 178 26.327 15.068 56.710 1.00 25.90 O ATOM 0 H SER A 178 27.922 15.986 57.993 1.00 13.44 H new ATOM 0 HA SER A 178 28.850 13.511 57.923 1.00 15.45 H new ATOM 0 HB2 SER A 178 26.608 13.097 56.945 1.00 19.65 H new ATOM 0 HB3 SER A 178 26.519 13.862 58.301 1.00 19.65 H new ATOM 0 HG SER A 178 26.038 15.621 57.273 1.00 25.90 H new ATOM 2382 N ASN A 179 29.293 15.032 55.294 1.00 11.89 N ATOM 2383 CA ASN A 179 29.836 14.888 53.899 1.00 13.50 C ATOM 2384 C ASN A 179 31.368 14.920 53.840 1.00 11.15 C ATOM 2385 O ASN A 179 31.951 15.154 52.793 1.00 11.13 O ATOM 2386 CB ASN A 179 29.309 16.042 53.018 1.00 12.95 C ATOM 2387 CG ASN A 179 27.788 16.035 52.996 1.00 16.10 C ATOM 2388 OD1 ASN A 179 27.163 15.024 52.760 1.00 16.62 O ATOM 2389 ND2 ASN A 179 27.139 17.132 53.243 1.00 15.80 N ATOM 0 H ASN A 179 29.239 15.838 55.588 1.00 11.89 H new ATOM 0 HA ASN A 179 29.538 14.022 53.579 1.00 13.50 H new ATOM 0 HB2 ASN A 179 29.630 16.891 53.360 1.00 12.95 H new ATOM 0 HB3 ASN A 179 29.652 15.951 52.115 1.00 12.95 H new ATOM 0 HD21 ASN A 179 26.279 17.133 53.237 1.00 15.80 H new ATOM 0 HD22 ASN A 179 27.569 17.857 53.412 1.00 15.80 H new ATOM 2396 N MET A 180 31.973 14.685 54.962 1.00 9.00 N ATOM 2397 CA MET A 180 33.441 14.675 55.115 1.00 7.47 C ATOM 2398 C MET A 180 33.938 13.516 55.964 1.00 9.70 C ATOM 2399 O MET A 180 33.185 13.028 56.788 1.00 12.57 O ATOM 2400 CB MET A 180 33.958 15.895 55.871 1.00 7.42 C ATOM 2401 CG MET A 180 33.516 17.232 55.323 1.00 8.83 C ATOM 2402 SD MET A 180 33.912 18.615 56.414 1.00 15.13 S ATOM 2403 CE MET A 180 33.026 19.962 55.635 1.00 12.99 C ATOM 0 H MET A 180 31.552 14.519 55.693 1.00 9.00 H new ATOM 0 HA MET A 180 33.758 14.632 54.199 1.00 7.47 H new ATOM 0 HB2 MET A 180 33.670 15.830 56.795 1.00 7.42 H new ATOM 0 HB3 MET A 180 34.928 15.868 55.874 1.00 7.42 H new ATOM 0 HG2 MET A 180 33.937 17.377 54.461 1.00 8.83 H new ATOM 0 HG3 MET A 180 32.558 17.212 55.171 1.00 8.83 H new ATOM 0 HE1 MET A 180 33.165 20.777 56.142 1.00 12.99 H new ATOM 0 HE2 MET A 180 33.353 20.084 54.730 1.00 12.99 H new ATOM 0 HE3 MET A 180 32.079 19.755 55.610 1.00 12.99 H new ATOM 2413 N PHE A 181 35.161 13.106 55.749 1.00 11.45 N ATOM 2414 CA PHE A 181 35.762 12.006 56.578 1.00 11.83 C ATOM 2415 C PHE A 181 37.258 12.386 56.634 1.00 11.55 C ATOM 2416 O PHE A 181 37.763 13.140 55.818 1.00 11.26 O ATOM 2417 CB PHE A 181 35.584 10.558 55.963 1.00 12.23 C ATOM 2418 CG PHE A 181 36.274 10.232 54.645 1.00 10.74 C ATOM 2419 CD1 PHE A 181 37.557 9.777 54.658 1.00 11.11 C ATOM 2420 CD2 PHE A 181 35.622 10.368 53.419 1.00 11.76 C ATOM 2421 CE1 PHE A 181 38.200 9.450 53.466 1.00 12.43 C ATOM 2422 CE2 PHE A 181 36.258 10.043 52.235 1.00 12.56 C ATOM 2423 CZ PHE A 181 37.552 9.582 52.254 1.00 12.09 C ATOM 0 H PHE A 181 35.681 13.426 55.143 1.00 11.45 H new ATOM 0 HA PHE A 181 35.326 11.945 57.442 1.00 11.83 H new ATOM 0 HB2 PHE A 181 35.894 9.918 56.623 1.00 12.23 H new ATOM 0 HB3 PHE A 181 34.634 10.404 55.843 1.00 12.23 H new ATOM 0 HD1 PHE A 181 38.007 9.684 55.467 1.00 11.11 H new ATOM 0 HD2 PHE A 181 34.747 10.682 53.398 1.00 11.76 H new ATOM 0 HE1 PHE A 181 39.076 9.139 53.487 1.00 12.43 H new ATOM 0 HE2 PHE A 181 35.810 10.137 51.426 1.00 12.56 H new ATOM 0 HZ PHE A 181 37.986 9.362 51.461 1.00 12.09 H new ATOM 2433 N CYS A 182 37.932 11.845 57.593 1.00 12.13 N ATOM 2434 CA CYS A 182 39.378 12.111 57.760 1.00 11.38 C ATOM 2435 C CYS A 182 40.102 10.828 57.394 1.00 13.38 C ATOM 2436 O CYS A 182 39.576 9.731 57.556 1.00 13.14 O ATOM 2437 CB CYS A 182 39.701 12.467 59.211 1.00 12.69 C ATOM 2438 SG CYS A 182 39.247 14.096 59.791 1.00 10.81 S ATOM 0 H CYS A 182 37.596 11.312 58.178 1.00 12.13 H new ATOM 0 HA CYS A 182 39.650 12.855 57.201 1.00 11.38 H new ATOM 0 HB2 CYS A 182 39.265 11.815 59.782 1.00 12.69 H new ATOM 0 HB3 CYS A 182 40.657 12.361 59.338 1.00 12.69 H new ATOM 2443 N ALA A 183 41.294 11.005 56.899 1.00 13.62 N ATOM 2444 CA ALA A 183 42.153 9.861 56.499 1.00 13.56 C ATOM 2445 C ALA A 183 43.557 10.337 56.775 1.00 14.51 C ATOM 2446 O ALA A 183 43.881 11.507 56.575 1.00 13.72 O ATOM 2447 CB ALA A 183 42.030 9.565 55.048 1.00 13.30 C ATOM 0 H ALA A 183 41.652 11.777 56.775 1.00 13.62 H new ATOM 0 HA ALA A 183 41.907 9.053 56.977 1.00 13.56 H new ATOM 0 HB1 ALA A 183 42.602 8.815 54.821 1.00 13.30 H new ATOM 0 HB2 ALA A 183 41.109 9.343 54.840 1.00 13.30 H new ATOM 0 HB3 ALA A 183 42.299 10.343 54.535 1.00 13.30 H new ATOM 2453 N GLY A 184A 44.378 9.426 57.209 1.00 15.21 N ATOM 2454 CA GLY A 184A 45.763 9.842 57.500 1.00 16.11 C ATOM 2455 C GLY A 184A 46.309 9.216 58.773 1.00 19.10 C ATOM 2456 O GLY A 184A 45.936 8.117 59.160 1.00 20.22 O ATOM 0 H GLY A 184A 44.191 8.598 57.344 1.00 15.21 H new ATOM 0 HA2 GLY A 184A 46.333 9.598 56.754 1.00 16.11 H new ATOM 0 HA3 GLY A 184A 45.797 10.808 57.579 1.00 16.11 H new ATOM 2460 N TYR A 184 47.189 9.956 59.370 1.00 20.54 N ATOM 2461 CA TYR A 184 47.854 9.523 60.614 1.00 24.54 C ATOM 2462 C TYR A 184 47.860 10.689 61.559 1.00 27.16 C ATOM 2463 O TYR A 184 48.231 11.789 61.179 1.00 29.44 O ATOM 2464 CB TYR A 184 49.294 9.106 60.279 1.00 25.21 C ATOM 2465 CG TYR A 184 49.330 8.014 59.180 1.00 25.66 C ATOM 2466 CD1 TYR A 184 49.246 8.336 57.847 1.00 25.78 C ATOM 2467 CD2 TYR A 184 49.438 6.685 59.512 1.00 27.75 C ATOM 2468 CE1 TYR A 184 49.272 7.338 56.891 1.00 27.16 C ATOM 2469 CE2 TYR A 184 49.463 5.700 58.558 1.00 26.62 C ATOM 2470 CZ TYR A 184 49.379 6.016 57.232 1.00 26.89 C ATOM 2471 OH TYR A 184 49.415 5.052 56.242 1.00 27.06 O ATOM 0 H TYR A 184 47.437 10.729 59.086 1.00 20.54 H new ATOM 0 HA TYR A 184 47.393 8.772 61.020 1.00 24.54 H new ATOM 0 HB2 TYR A 184 49.796 9.881 59.982 1.00 25.21 H new ATOM 0 HB3 TYR A 184 49.730 8.775 61.080 1.00 25.21 H new ATOM 0 HD1 TYR A 184 49.172 9.226 57.588 1.00 25.78 H new ATOM 0 HD2 TYR A 184 49.496 6.447 60.409 1.00 27.75 H new ATOM 0 HE1 TYR A 184 49.215 7.570 55.992 1.00 27.16 H new ATOM 0 HE2 TYR A 184 49.538 4.810 58.816 1.00 26.62 H new ATOM 0 HH TYR A 184 49.254 5.408 55.498 1.00 27.06 H new ATOM 2481 N LEU A 185 47.476 10.419 62.774 1.00 29.59 N ATOM 2482 CA LEU A 185 47.431 11.479 63.842 1.00 28.88 C ATOM 2483 C LEU A 185 48.839 11.802 64.344 1.00 28.71 C ATOM 2484 O LEU A 185 49.064 12.854 64.911 1.00 24.99 O ATOM 2485 CB LEU A 185 46.553 10.972 65.005 1.00 26.98 C ATOM 2486 CG LEU A 185 45.104 10.728 64.514 1.00 30.04 C ATOM 2487 CD1 LEU A 185 44.292 10.240 65.694 1.00 32.27 C ATOM 2488 CD2 LEU A 185 44.427 12.008 63.978 1.00 28.98 C ATOM 0 H LEU A 185 47.230 9.638 63.038 1.00 29.59 H new ATOM 0 HA LEU A 185 47.053 12.293 63.473 1.00 28.88 H new ATOM 0 HB2 LEU A 185 46.923 10.150 65.364 1.00 26.98 H new ATOM 0 HB3 LEU A 185 46.552 11.621 65.726 1.00 26.98 H new ATOM 0 HG LEU A 185 45.143 10.085 63.788 1.00 30.04 H new ATOM 0 HD11 LEU A 185 43.378 10.079 65.413 1.00 32.27 H new ATOM 0 HD12 LEU A 185 44.676 9.416 66.033 1.00 32.27 H new ATOM 0 HD13 LEU A 185 44.301 10.912 66.394 1.00 32.27 H new ATOM 0 HD21 LEU A 185 43.526 11.799 63.685 1.00 28.98 H new ATOM 0 HD22 LEU A 185 44.392 12.675 64.682 1.00 28.98 H new ATOM 0 HD23 LEU A 185 44.937 12.355 63.230 1.00 28.98 H new ATOM 2500 N GLU A 186 49.762 10.901 64.130 1.00 31.43 N ATOM 2501 CA GLU A 186 51.154 11.167 64.590 1.00 31.43 C ATOM 2502 C GLU A 186 51.728 12.255 63.679 1.00 31.92 C ATOM 2503 O GLU A 186 52.663 12.937 64.044 1.00 33.62 O ATOM 2504 CB GLU A 186 52.032 9.896 64.474 1.00 32.43 C ATOM 2505 CG GLU A 186 52.306 9.476 62.995 0.01 33.00 C ATOM 2506 CD GLU A 186 53.197 8.215 62.956 0.01 33.48 C ATOM 2507 OE1 GLU A 186 52.756 7.201 63.475 0.01 34.70 O ATOM 2508 OE2 GLU A 186 54.280 8.335 62.403 0.01 32.20 O ATOM 0 H GLU A 186 49.638 10.146 63.737 1.00 31.43 H new ATOM 0 HA GLU A 186 51.147 11.441 65.520 1.00 31.43 H new ATOM 0 HB2 GLU A 186 52.878 10.051 64.923 1.00 32.43 H new ATOM 0 HB3 GLU A 186 51.595 9.164 64.937 1.00 32.43 H new ATOM 0 HG2 GLU A 186 51.467 9.302 62.540 0.01 33.00 H new ATOM 0 HG3 GLU A 186 52.740 10.202 62.521 0.01 33.00 H new ATOM 2515 N GLY A 187 51.169 12.380 62.506 1.00 30.69 N ATOM 2516 CA GLY A 187 51.650 13.418 61.544 1.00 29.76 C ATOM 2517 C GLY A 187 52.613 12.744 60.573 1.00 29.70 C ATOM 2518 O GLY A 187 52.680 11.527 60.541 1.00 30.59 O ATOM 0 H GLY A 187 50.517 11.896 62.222 1.00 30.69 H new ATOM 0 HA2 GLY A 187 50.903 13.810 61.065 1.00 29.76 H new ATOM 0 HA3 GLY A 187 52.094 14.140 62.017 1.00 29.76 H new ATOM 2522 N GLY A 188A 53.317 13.510 59.775 1.00 27.10 N ATOM 2523 CA GLY A 188A 54.292 12.881 58.821 1.00 26.44 C ATOM 2524 C GLY A 188A 53.825 12.530 57.410 1.00 25.09 C ATOM 2525 O GLY A 188A 54.578 12.693 56.465 1.00 21.14 O ATOM 0 H GLY A 188A 53.271 14.368 59.745 1.00 27.10 H new ATOM 0 HA2 GLY A 188A 55.049 13.481 58.738 1.00 26.44 H new ATOM 0 HA3 GLY A 188A 54.620 12.066 59.232 1.00 26.44 H new ATOM 2529 N LYS A 188 52.606 12.047 57.326 1.00 25.51 N ATOM 2530 CA LYS A 188 52.017 11.646 56.013 1.00 24.38 C ATOM 2531 C LYS A 188 50.649 12.322 55.800 1.00 21.57 C ATOM 2532 O LYS A 188 49.799 12.201 56.667 1.00 21.15 O ATOM 2533 CB LYS A 188 51.856 10.128 56.016 1.00 24.34 C ATOM 2534 CG LYS A 188 53.228 9.418 56.061 1.00 26.90 C ATOM 2535 CD LYS A 188 53.053 7.980 56.654 1.00 29.78 C ATOM 2536 CE LYS A 188 54.218 7.056 56.207 0.24 31.16 C ATOM 2537 NZ LYS A 188 54.111 5.724 56.873 0.24 32.41 N ATOM 0 H LYS A 188 52.085 11.934 58.001 1.00 25.51 H new ATOM 0 HA LYS A 188 52.600 11.926 55.290 1.00 24.38 H new ATOM 0 HB2 LYS A 188 51.325 9.859 56.782 1.00 24.34 H new ATOM 0 HB3 LYS A 188 51.372 9.850 55.223 1.00 24.34 H new ATOM 0 HG2 LYS A 188 53.606 9.367 55.169 1.00 26.90 H new ATOM 0 HG3 LYS A 188 53.849 9.928 56.603 1.00 26.90 H new ATOM 0 HD2 LYS A 188 53.024 8.026 57.622 1.00 29.78 H new ATOM 0 HD3 LYS A 188 52.207 7.606 56.362 1.00 29.78 H new ATOM 0 HE2 LYS A 188 54.199 6.945 55.244 0.24 31.16 H new ATOM 0 HE3 LYS A 188 55.068 7.467 56.428 0.24 31.16 H new ATOM 0 HZ1 LYS A 188 54.784 5.205 56.609 0.24 32.41 H new ATOM 0 HZ2 LYS A 188 54.148 5.830 57.756 0.24 32.41 H new ATOM 0 HZ3 LYS A 188 53.338 5.343 56.652 0.24 32.41 H new ATOM 2551 N ASP A 189 50.441 12.995 54.693 1.00 18.97 N ATOM 2552 CA ASP A 189 49.130 13.678 54.426 1.00 14.75 C ATOM 2553 C ASP A 189 49.113 14.147 52.966 1.00 15.36 C ATOM 2554 O ASP A 189 50.116 14.038 52.262 1.00 14.13 O ATOM 2555 CB ASP A 189 49.021 14.913 55.344 1.00 15.07 C ATOM 2556 CG ASP A 189 47.641 15.584 55.472 1.00 15.01 C ATOM 2557 OD1 ASP A 189 47.659 16.633 56.095 1.00 16.37 O ATOM 2558 OD2 ASP A 189 46.658 15.060 54.988 1.00 13.08 O ATOM 0 H ASP A 189 51.024 13.086 54.068 1.00 18.97 H new ATOM 0 HA ASP A 189 48.393 13.070 54.593 1.00 14.75 H new ATOM 0 HB2 ASP A 189 49.311 14.652 56.232 1.00 15.07 H new ATOM 0 HB3 ASP A 189 49.649 15.579 55.025 1.00 15.07 H new ATOM 2563 N SER A 190 47.975 14.653 52.539 1.00 15.90 N ATOM 2564 CA SER A 190 47.845 15.183 51.150 1.00 16.96 C ATOM 2565 C SER A 190 48.157 16.704 51.455 1.00 18.12 C ATOM 2566 O SER A 190 48.301 17.067 52.621 1.00 14.85 O ATOM 2567 CB SER A 190 46.390 14.963 50.601 1.00 13.73 C ATOM 2568 OG SER A 190 45.537 15.508 51.576 1.00 14.31 O ATOM 0 H SER A 190 47.260 14.709 53.014 1.00 15.90 H new ATOM 0 HA SER A 190 48.407 14.775 50.473 1.00 16.96 H new ATOM 0 HB2 SER A 190 46.269 15.403 49.745 1.00 13.73 H new ATOM 0 HB3 SER A 190 46.207 14.020 50.464 1.00 13.73 H new ATOM 0 HG SER A 190 45.111 14.890 51.953 1.00 14.31 H new ATOM 2574 N CYS A 191 48.249 17.552 50.468 1.00 16.38 N ATOM 2575 CA CYS A 191 48.574 18.976 50.755 1.00 17.01 C ATOM 2576 C CYS A 191 48.108 19.806 49.576 1.00 18.48 C ATOM 2577 O CYS A 191 47.552 19.270 48.631 1.00 16.76 O ATOM 2578 CB CYS A 191 50.108 19.044 50.964 1.00 19.32 C ATOM 2579 SG CYS A 191 50.804 20.490 51.807 1.00 20.11 S ATOM 0 H CYS A 191 48.135 17.359 49.638 1.00 16.38 H new ATOM 0 HA CYS A 191 48.134 19.322 51.547 1.00 17.01 H new ATOM 0 HB2 CYS A 191 50.373 18.256 51.464 1.00 19.32 H new ATOM 0 HB3 CYS A 191 50.527 18.981 50.092 1.00 19.32 H new ATOM 2584 N GLN A 192 48.359 21.077 49.677 1.00 17.73 N ATOM 2585 CA GLN A 192 47.959 22.039 48.597 1.00 19.03 C ATOM 2586 C GLN A 192 48.563 21.509 47.298 1.00 16.73 C ATOM 2587 O GLN A 192 49.716 21.109 47.256 1.00 18.52 O ATOM 2588 CB GLN A 192 48.508 23.436 48.934 0.51 17.83 C ATOM 2589 CG GLN A 192 47.980 24.480 47.920 0.43 20.14 C ATOM 2590 CD GLN A 192 48.315 25.886 48.406 0.36 20.20 C ATOM 2591 OE1 GLN A 192 48.301 26.813 47.622 0.36 22.62 O ATOM 2592 NE2 GLN A 192 48.611 26.109 49.657 0.36 20.16 N ATOM 0 H GLN A 192 48.758 21.438 50.348 1.00 17.73 H new ATOM 0 HA GLN A 192 46.996 22.115 48.513 1.00 19.03 H new ATOM 0 HB2 GLN A 192 48.243 23.686 49.833 0.51 17.83 H new ATOM 0 HB3 GLN A 192 49.478 23.422 48.918 0.51 17.83 H new ATOM 0 HG2 GLN A 192 48.377 24.327 47.048 0.43 20.14 H new ATOM 0 HG3 GLN A 192 47.020 24.385 47.815 0.43 20.14 H new ATOM 0 HE21 GLN A 192 48.623 25.458 50.219 0.36 20.16 H new ATOM 0 HE22 GLN A 192 48.794 26.907 49.920 0.36 20.16 H new ATOM 2601 N GLY A 193 47.767 21.515 46.275 1.00 16.34 N ATOM 2602 CA GLY A 193 48.265 21.009 44.959 1.00 17.53 C ATOM 2603 C GLY A 193 47.677 19.628 44.719 1.00 17.05 C ATOM 2604 O GLY A 193 47.581 19.201 43.596 1.00 17.26 O ATOM 0 H GLY A 193 46.953 21.792 46.282 1.00 16.34 H new ATOM 0 HA2 GLY A 193 48.007 21.614 44.246 1.00 17.53 H new ATOM 0 HA3 GLY A 193 49.234 20.967 44.959 1.00 17.53 H new ATOM 2608 N ASP A 194 47.305 18.951 45.787 1.00 14.15 N ATOM 2609 CA ASP A 194 46.702 17.568 45.708 1.00 13.01 C ATOM 2610 C ASP A 194 45.169 17.673 45.631 1.00 13.02 C ATOM 2611 O ASP A 194 44.452 16.756 45.275 1.00 10.85 O ATOM 2612 CB ASP A 194 47.059 16.732 46.972 1.00 12.19 C ATOM 2613 CG ASP A 194 48.560 16.370 47.023 1.00 10.98 C ATOM 2614 OD1 ASP A 194 49.098 16.426 48.113 1.00 13.73 O ATOM 2615 OD2 ASP A 194 49.106 16.039 45.979 1.00 14.12 O ATOM 0 H ASP A 194 47.382 19.252 46.589 1.00 14.15 H new ATOM 0 HA ASP A 194 47.059 17.134 44.917 1.00 13.01 H new ATOM 0 HB2 ASP A 194 46.821 17.233 47.768 1.00 12.19 H new ATOM 0 HB3 ASP A 194 46.531 15.919 46.980 1.00 12.19 H new ATOM 2620 N SER A 195 44.742 18.845 46.007 1.00 15.02 N ATOM 2621 CA SER A 195 43.290 19.251 46.033 1.00 14.52 C ATOM 2622 C SER A 195 42.525 18.751 44.819 1.00 11.99 C ATOM 2623 O SER A 195 43.037 18.911 43.727 1.00 10.28 O ATOM 2624 CB SER A 195 43.167 20.764 46.007 1.00 16.39 C ATOM 2625 OG SER A 195 44.301 21.183 46.745 1.00 18.02 O ATOM 0 H SER A 195 45.273 19.470 46.268 1.00 15.02 H new ATOM 0 HA SER A 195 42.922 18.864 46.843 1.00 14.52 H new ATOM 0 HB2 SER A 195 43.179 21.111 45.101 1.00 16.39 H new ATOM 0 HB3 SER A 195 42.340 21.065 46.415 1.00 16.39 H new ATOM 2630 N GLY A 196 41.373 18.182 45.062 1.00 10.42 N ATOM 2631 CA GLY A 196 40.529 17.672 43.942 1.00 8.40 C ATOM 2632 C GLY A 196 40.881 16.257 43.558 1.00 8.50 C ATOM 2633 O GLY A 196 40.072 15.632 42.921 1.00 12.09 O ATOM 0 H GLY A 196 41.041 18.069 45.847 1.00 10.42 H new ATOM 0 HA2 GLY A 196 39.595 17.712 44.200 1.00 8.40 H new ATOM 0 HA3 GLY A 196 40.635 18.250 43.170 1.00 8.40 H new ATOM 2637 N GLY A 197 42.030 15.781 43.950 1.00 9.80 N ATOM 2638 CA GLY A 197 42.440 14.409 43.592 1.00 11.22 C ATOM 2639 C GLY A 197 41.759 13.301 44.349 1.00 12.27 C ATOM 2640 O GLY A 197 41.015 13.543 45.280 1.00 12.46 O ATOM 0 H GLY A 197 42.601 16.217 44.423 1.00 9.80 H new ATOM 0 HA2 GLY A 197 42.277 14.278 42.645 1.00 11.22 H new ATOM 0 HA3 GLY A 197 43.397 14.330 43.729 1.00 11.22 H new ATOM 2644 N PRO A 198 42.038 12.096 43.910 1.00 13.37 N ATOM 2645 CA PRO A 198 41.383 10.872 44.397 1.00 11.01 C ATOM 2646 C PRO A 198 41.873 10.204 45.672 1.00 13.50 C ATOM 2647 O PRO A 198 43.038 10.319 46.000 1.00 11.49 O ATOM 2648 CB PRO A 198 41.531 9.905 43.255 1.00 12.14 C ATOM 2649 CG PRO A 198 42.931 10.272 42.677 1.00 12.42 C ATOM 2650 CD PRO A 198 43.023 11.778 42.831 1.00 11.60 C ATOM 0 HA PRO A 198 40.486 11.132 44.658 1.00 11.01 H new ATOM 0 HB2 PRO A 198 41.495 8.984 43.556 1.00 12.14 H new ATOM 0 HB3 PRO A 198 40.828 10.015 42.596 1.00 12.14 H new ATOM 0 HG2 PRO A 198 43.642 9.823 43.161 1.00 12.42 H new ATOM 0 HG3 PRO A 198 43.010 10.007 41.747 1.00 12.42 H new ATOM 0 HD2 PRO A 198 43.920 12.055 43.076 1.00 11.60 H new ATOM 0 HD3 PRO A 198 42.802 12.233 42.004 1.00 11.60 H new ATOM 2658 N VAL A 199 40.957 9.521 46.316 1.00 10.96 N ATOM 2659 CA VAL A 199 41.231 8.755 47.549 1.00 10.29 C ATOM 2660 C VAL A 199 40.474 7.494 47.043 1.00 11.28 C ATOM 2661 O VAL A 199 39.246 7.527 46.959 1.00 8.53 O ATOM 2662 CB VAL A 199 40.549 9.338 48.771 1.00 12.76 C ATOM 2663 CG1 VAL A 199 40.833 8.410 50.002 1.00 11.54 C ATOM 2664 CG2 VAL A 199 41.105 10.784 48.993 1.00 13.13 C ATOM 0 H VAL A 199 40.138 9.477 46.059 1.00 10.96 H new ATOM 0 HA VAL A 199 42.153 8.679 47.840 1.00 10.29 H new ATOM 0 HB VAL A 199 39.588 9.389 48.653 1.00 12.76 H new ATOM 0 HG11 VAL A 199 40.400 8.775 50.790 1.00 11.54 H new ATOM 0 HG12 VAL A 199 40.485 7.522 49.825 1.00 11.54 H new ATOM 0 HG13 VAL A 199 41.790 8.358 50.154 1.00 11.54 H new ATOM 0 HG21 VAL A 199 40.682 11.178 49.772 1.00 13.13 H new ATOM 0 HG22 VAL A 199 42.064 10.744 49.132 1.00 13.13 H new ATOM 0 HG23 VAL A 199 40.914 11.328 48.213 1.00 13.13 H new ATOM 2674 N VAL A 200 41.197 6.440 46.722 1.00 11.50 N ATOM 2675 CA VAL A 200 40.550 5.171 46.202 1.00 11.73 C ATOM 2676 C VAL A 200 40.746 4.084 47.226 1.00 11.38 C ATOM 2677 O VAL A 200 41.873 3.889 47.646 1.00 11.00 O ATOM 2678 CB VAL A 200 41.212 4.771 44.801 1.00 11.95 C ATOM 2679 CG1 VAL A 200 40.736 3.387 44.297 1.00 13.66 C ATOM 2680 CG2 VAL A 200 40.861 5.860 43.727 1.00 10.92 C ATOM 0 H VAL A 200 42.054 6.405 46.785 1.00 11.50 H new ATOM 0 HA VAL A 200 39.600 5.303 46.058 1.00 11.73 H new ATOM 0 HB VAL A 200 42.171 4.720 44.938 1.00 11.95 H new ATOM 0 HG11 VAL A 200 41.162 3.188 43.448 1.00 13.66 H new ATOM 0 HG12 VAL A 200 40.975 2.707 44.946 1.00 13.66 H new ATOM 0 HG13 VAL A 200 39.773 3.398 44.180 1.00 13.66 H new ATOM 0 HG21 VAL A 200 41.262 5.618 42.878 1.00 10.92 H new ATOM 0 HG22 VAL A 200 39.898 5.916 43.625 1.00 10.92 H new ATOM 0 HG23 VAL A 200 41.206 6.720 44.013 1.00 10.92 H new ATOM 2690 N CYS A 201 39.661 3.445 47.578 1.00 12.26 N ATOM 2691 CA CYS A 201 39.671 2.337 48.590 1.00 15.50 C ATOM 2692 C CYS A 201 38.900 1.180 47.951 1.00 16.12 C ATOM 2693 O CYS A 201 37.798 1.353 47.462 1.00 15.47 O ATOM 2694 CB CYS A 201 38.972 2.820 49.890 1.00 14.92 C ATOM 2695 SG CYS A 201 39.210 4.578 50.254 1.00 15.68 S ATOM 0 H CYS A 201 38.883 3.617 47.256 1.00 12.26 H new ATOM 0 HA CYS A 201 40.570 2.063 48.829 1.00 15.50 H new ATOM 0 HB2 CYS A 201 38.021 2.641 49.819 1.00 14.92 H new ATOM 0 HB3 CYS A 201 39.304 2.298 50.637 1.00 14.92 H new ATOM 2700 N SER A 202 39.489 0.029 47.970 1.00 19.02 N ATOM 2701 CA SER A 202 38.854 -1.189 47.381 1.00 21.99 C ATOM 2702 C SER A 202 38.300 -0.994 45.957 1.00 19.69 C ATOM 2703 O SER A 202 37.222 -1.416 45.602 1.00 23.46 O ATOM 2704 CB SER A 202 37.748 -1.623 48.348 1.00 24.58 C ATOM 2705 OG SER A 202 38.397 -1.571 49.633 1.00 27.17 O ATOM 0 H SER A 202 40.265 -0.107 48.314 1.00 19.02 H new ATOM 0 HA SER A 202 39.535 -1.872 47.276 1.00 21.99 H new ATOM 0 HB2 SER A 202 36.983 -1.028 48.308 1.00 24.58 H new ATOM 0 HB3 SER A 202 37.424 -2.515 48.146 1.00 24.58 H new ATOM 0 HG SER A 202 37.852 -1.797 50.231 1.00 27.17 H new ATOM 2711 N GLY A 203 39.081 -0.317 45.178 1.00 16.60 N ATOM 2712 CA GLY A 203 38.746 -0.039 43.776 1.00 16.24 C ATOM 2713 C GLY A 203 37.638 0.965 43.537 1.00 15.74 C ATOM 2714 O GLY A 203 37.131 1.002 42.427 1.00 17.62 O ATOM 0 H GLY A 203 39.836 0.009 45.429 1.00 16.60 H new ATOM 0 HA2 GLY A 203 39.546 0.279 43.329 1.00 16.24 H new ATOM 0 HA3 GLY A 203 38.496 -0.875 43.351 1.00 16.24 H new ATOM 2718 N LYS A 204 37.281 1.738 44.532 1.00 15.59 N ATOM 2719 CA LYS A 204 36.183 2.756 44.341 1.00 16.41 C ATOM 2720 C LYS A 204 36.678 4.123 44.796 1.00 15.30 C ATOM 2721 O LYS A 204 37.431 4.201 45.760 1.00 10.59 O ATOM 2722 CB LYS A 204 34.940 2.428 45.203 1.00 20.02 C ATOM 2723 CG LYS A 204 34.458 1.001 44.956 1.00 25.23 C ATOM 2724 CD LYS A 204 33.737 0.907 43.601 1.00 29.28 C ATOM 2725 CE LYS A 204 33.795 -0.554 43.128 1.00 33.85 C ATOM 2726 NZ LYS A 204 33.407 -1.499 44.221 1.00 37.44 N ATOM 0 H LYS A 204 37.629 1.718 45.318 1.00 15.59 H new ATOM 0 HA LYS A 204 35.944 2.745 43.401 1.00 16.41 H new ATOM 0 HB2 LYS A 204 35.155 2.541 46.142 1.00 20.02 H new ATOM 0 HB3 LYS A 204 34.227 3.053 44.998 1.00 20.02 H new ATOM 0 HG2 LYS A 204 35.212 0.391 44.971 1.00 25.23 H new ATOM 0 HG3 LYS A 204 33.858 0.728 45.668 1.00 25.23 H new ATOM 0 HD2 LYS A 204 32.816 1.199 43.687 1.00 29.28 H new ATOM 0 HD3 LYS A 204 34.160 1.490 42.951 1.00 29.28 H new ATOM 0 HE2 LYS A 204 33.202 -0.674 42.369 1.00 33.85 H new ATOM 0 HE3 LYS A 204 34.692 -0.761 42.823 1.00 33.85 H new ATOM 0 HZ1 LYS A 204 33.168 -2.280 43.868 1.00 37.44 H new ATOM 0 HZ2 LYS A 204 34.098 -1.620 44.768 1.00 37.44 H new ATOM 0 HZ3 LYS A 204 32.723 -1.159 44.678 1.00 37.44 H new ATOM 2740 N LEU A 209 36.215 5.123 44.092 1.00 14.01 N ATOM 2741 CA LEU A 209 36.599 6.514 44.422 1.00 12.70 C ATOM 2742 C LEU A 209 35.781 6.852 45.703 1.00 12.30 C ATOM 2743 O LEU A 209 34.597 7.088 45.582 1.00 15.39 O ATOM 2744 CB LEU A 209 36.195 7.421 43.243 1.00 12.15 C ATOM 2745 CG LEU A 209 36.520 8.897 43.573 1.00 12.94 C ATOM 2746 CD1 LEU A 209 38.024 9.117 43.687 1.00 12.98 C ATOM 2747 CD2 LEU A 209 35.935 9.824 42.491 1.00 14.77 C ATOM 0 H LEU A 209 35.682 5.043 43.422 1.00 14.01 H new ATOM 0 HA LEU A 209 37.550 6.636 44.572 1.00 12.70 H new ATOM 0 HB2 LEU A 209 36.667 7.150 42.440 1.00 12.15 H new ATOM 0 HB3 LEU A 209 35.247 7.324 43.061 1.00 12.15 H new ATOM 0 HG LEU A 209 36.116 9.109 44.429 1.00 12.94 H new ATOM 0 HD11 LEU A 209 38.200 10.048 43.894 1.00 12.98 H new ATOM 0 HD12 LEU A 209 38.381 8.556 44.393 1.00 12.98 H new ATOM 0 HD13 LEU A 209 38.450 8.887 42.846 1.00 12.98 H new ATOM 0 HD21 LEU A 209 36.144 10.746 42.707 1.00 14.77 H new ATOM 0 HD22 LEU A 209 36.320 9.599 41.629 1.00 14.77 H new ATOM 0 HD23 LEU A 209 34.972 9.711 42.454 1.00 14.77 H new ATOM 2759 N GLN A 210 36.367 6.888 46.866 1.00 12.04 N ATOM 2760 CA GLN A 210 35.591 7.197 48.112 1.00 11.82 C ATOM 2761 C GLN A 210 35.791 8.639 48.581 1.00 10.95 C ATOM 2762 O GLN A 210 34.992 9.162 49.339 1.00 9.52 O ATOM 2763 CB GLN A 210 36.019 6.229 49.292 1.00 13.01 C ATOM 2764 CG GLN A 210 35.647 4.742 49.018 1.00 15.79 C ATOM 2765 CD GLN A 210 34.147 4.421 49.198 1.00 15.84 C ATOM 2766 OE1 GLN A 210 33.746 3.285 49.071 1.00 17.74 O ATOM 2767 NE2 GLN A 210 33.270 5.327 49.485 1.00 16.86 N ATOM 0 H GLN A 210 37.205 6.743 46.991 1.00 12.04 H new ATOM 0 HA GLN A 210 34.656 7.069 47.888 1.00 11.82 H new ATOM 0 HB2 GLN A 210 36.977 6.298 49.430 1.00 13.01 H new ATOM 0 HB3 GLN A 210 35.592 6.519 50.113 1.00 13.01 H new ATOM 0 HG2 GLN A 210 35.910 4.515 48.112 1.00 15.79 H new ATOM 0 HG3 GLN A 210 36.162 4.175 49.613 1.00 15.79 H new ATOM 0 HE21 GLN A 210 33.514 6.146 49.584 1.00 16.86 H new ATOM 0 HE22 GLN A 210 32.443 5.111 49.577 1.00 16.86 H new ATOM 2776 N GLY A 211 36.847 9.259 48.164 1.00 9.74 N ATOM 2777 CA GLY A 211 37.063 10.659 48.609 1.00 10.60 C ATOM 2778 C GLY A 211 37.738 11.534 47.573 1.00 11.08 C ATOM 2779 O GLY A 211 38.247 11.036 46.578 1.00 10.39 O ATOM 0 H GLY A 211 37.448 8.932 47.643 1.00 9.74 H new ATOM 0 HA2 GLY A 211 36.207 11.051 48.842 1.00 10.60 H new ATOM 0 HA3 GLY A 211 37.602 10.653 49.416 1.00 10.60 H new ATOM 2783 N ILE A 212 37.683 12.808 47.897 1.00 11.07 N ATOM 2784 CA ILE A 212 38.277 13.891 47.069 1.00 10.58 C ATOM 2785 C ILE A 212 39.136 14.703 48.047 1.00 10.19 C ATOM 2786 O ILE A 212 38.634 15.020 49.102 1.00 8.32 O ATOM 2787 CB ILE A 212 37.145 14.789 46.445 1.00 11.39 C ATOM 2788 CG1 ILE A 212 36.225 13.913 45.515 1.00 12.07 C ATOM 2789 CG2 ILE A 212 37.798 15.894 45.566 1.00 11.14 C ATOM 2790 CD1 ILE A 212 35.032 14.692 44.968 1.00 15.20 C ATOM 0 H ILE A 212 37.298 13.094 48.611 1.00 11.07 H new ATOM 0 HA ILE A 212 38.797 13.545 46.327 1.00 10.58 H new ATOM 0 HB ILE A 212 36.622 15.182 47.161 1.00 11.39 H new ATOM 0 HG12 ILE A 212 36.751 13.571 44.775 1.00 12.07 H new ATOM 0 HG13 ILE A 212 35.904 13.145 46.014 1.00 12.07 H new ATOM 0 HG21 ILE A 212 37.105 16.451 45.178 1.00 11.14 H new ATOM 0 HG22 ILE A 212 38.383 16.440 46.114 1.00 11.14 H new ATOM 0 HG23 ILE A 212 38.314 15.480 44.857 1.00 11.14 H new ATOM 0 HD11 ILE A 212 34.498 14.112 44.403 1.00 15.20 H new ATOM 0 HD12 ILE A 212 34.490 15.014 45.705 1.00 15.20 H new ATOM 0 HD13 ILE A 212 35.349 15.446 44.447 1.00 15.20 H new ATOM 2802 N VAL A 213 40.359 15.028 47.705 1.00 8.11 N ATOM 2803 CA VAL A 213 41.238 15.828 48.631 1.00 10.06 C ATOM 2804 C VAL A 213 40.567 17.208 48.838 1.00 9.62 C ATOM 2805 O VAL A 213 40.404 17.930 47.880 1.00 10.21 O ATOM 2806 CB VAL A 213 42.637 15.968 47.980 1.00 8.21 C ATOM 2807 CG1 VAL A 213 43.580 16.738 48.920 1.00 8.56 C ATOM 2808 CG2 VAL A 213 43.274 14.595 47.752 1.00 6.85 C ATOM 0 H VAL A 213 40.726 14.814 46.957 1.00 8.11 H new ATOM 0 HA VAL A 213 41.347 15.397 49.493 1.00 10.06 H new ATOM 0 HB VAL A 213 42.516 16.433 47.137 1.00 8.21 H new ATOM 0 HG11 VAL A 213 44.453 16.821 48.506 1.00 8.56 H new ATOM 0 HG12 VAL A 213 43.217 17.622 49.090 1.00 8.56 H new ATOM 0 HG13 VAL A 213 43.665 16.257 49.758 1.00 8.56 H new ATOM 0 HG21 VAL A 213 44.147 14.707 47.345 1.00 6.85 H new ATOM 0 HG22 VAL A 213 43.370 14.138 48.602 1.00 6.85 H new ATOM 0 HG23 VAL A 213 42.709 14.069 47.165 1.00 6.85 H new ATOM 2818 N SER A 214 40.224 17.546 50.053 1.00 9.82 N ATOM 2819 CA SER A 214 39.560 18.839 50.294 1.00 10.98 C ATOM 2820 C SER A 214 40.301 19.822 51.186 1.00 10.20 C ATOM 2821 O SER A 214 40.645 20.899 50.715 1.00 12.08 O ATOM 2822 CB SER A 214 38.104 18.438 50.834 1.00 7.16 C ATOM 2823 OG SER A 214 37.291 19.590 51.021 1.00 8.63 O ATOM 0 H SER A 214 40.355 17.064 50.753 1.00 9.82 H new ATOM 0 HA SER A 214 39.527 19.357 49.475 1.00 10.98 H new ATOM 0 HB2 SER A 214 37.677 17.836 50.204 1.00 7.16 H new ATOM 0 HB3 SER A 214 38.188 17.958 51.673 1.00 7.16 H new ATOM 0 HG SER A 214 37.069 19.901 50.273 1.00 8.63 H new ATOM 2829 N TRP A 215 40.529 19.507 52.426 1.00 10.64 N ATOM 2830 CA TRP A 215 41.245 20.488 53.266 1.00 12.07 C ATOM 2831 C TRP A 215 41.911 19.804 54.424 1.00 12.41 C ATOM 2832 O TRP A 215 41.926 18.594 54.497 1.00 12.56 O ATOM 2833 CB TRP A 215 40.241 21.577 53.770 1.00 11.50 C ATOM 2834 CG TRP A 215 39.047 21.088 54.618 1.00 12.50 C ATOM 2835 CD1 TRP A 215 37.914 20.531 54.097 1.00 13.33 C ATOM 2836 CD2 TRP A 215 38.918 21.143 55.992 1.00 12.71 C ATOM 2837 NE1 TRP A 215 37.157 20.277 55.165 1.00 13.47 N ATOM 2838 CE2 TRP A 215 37.663 20.604 56.339 1.00 12.12 C ATOM 2839 CE3 TRP A 215 39.763 21.594 57.008 1.00 12.81 C ATOM 2840 CZ2 TRP A 215 37.264 20.519 57.642 1.00 14.58 C ATOM 2841 CZ3 TRP A 215 39.359 21.505 58.337 1.00 14.74 C ATOM 2842 CH2 TRP A 215 38.111 20.969 58.651 1.00 14.49 C ATOM 0 H TRP A 215 40.300 18.772 52.810 1.00 10.64 H new ATOM 0 HA TRP A 215 41.935 20.916 52.736 1.00 12.07 H new ATOM 0 HB2 TRP A 215 40.737 22.226 54.293 1.00 11.50 H new ATOM 0 HB3 TRP A 215 39.890 22.045 52.996 1.00 11.50 H new ATOM 0 HD1 TRP A 215 37.716 20.367 53.203 1.00 13.33 H new ATOM 0 HE1 TRP A 215 36.379 19.918 55.092 1.00 13.47 H new ATOM 0 HE3 TRP A 215 40.594 21.953 56.797 1.00 12.81 H new ATOM 0 HZ2 TRP A 215 36.432 20.163 57.854 1.00 14.58 H new ATOM 0 HZ3 TRP A 215 39.921 21.803 59.015 1.00 14.74 H new ATOM 0 HH2 TRP A 215 37.843 20.912 59.540 1.00 14.49 H new ATOM 2853 N GLY A 216 42.463 20.581 55.296 1.00 13.48 N ATOM 2854 CA GLY A 216 43.155 20.052 56.515 1.00 13.68 C ATOM 2855 C GLY A 216 43.803 21.244 57.195 1.00 16.82 C ATOM 2856 O GLY A 216 43.530 22.358 56.810 1.00 17.36 O ATOM 0 H GLY A 216 42.468 21.439 55.234 1.00 13.48 H new ATOM 0 HA2 GLY A 216 42.523 19.617 57.109 1.00 13.68 H new ATOM 0 HA3 GLY A 216 43.820 19.389 56.274 1.00 13.68 H new ATOM 2860 N SER A 217 44.611 21.024 58.177 1.00 17.95 N ATOM 2861 CA SER A 217 45.286 22.166 58.875 1.00 22.52 C ATOM 2862 C SER A 217 46.772 22.035 58.490 1.00 21.85 C ATOM 2863 O SER A 217 47.461 21.165 58.996 1.00 23.13 O ATOM 2864 CB SER A 217 45.149 22.027 60.382 1.00 23.84 C ATOM 2865 OG SER A 217 45.579 23.314 60.817 1.00 25.85 O ATOM 0 H SER A 217 44.807 20.244 58.482 1.00 17.95 H new ATOM 0 HA SER A 217 44.900 23.020 58.624 1.00 22.52 H new ATOM 0 HB2 SER A 217 44.237 21.835 60.651 1.00 23.84 H new ATOM 0 HB3 SER A 217 45.705 21.316 60.737 1.00 23.84 H new ATOM 0 HG SER A 217 45.543 23.353 61.655 1.00 25.85 H new ATOM 2871 N GLY A 219 47.237 22.881 57.613 1.00 22.87 N ATOM 2872 CA GLY A 219 48.668 22.749 57.226 1.00 23.73 C ATOM 2873 C GLY A 219 48.738 21.390 56.546 1.00 22.33 C ATOM 2874 O GLY A 219 47.761 20.942 55.964 1.00 25.17 O ATOM 0 H GLY A 219 46.794 23.513 57.233 1.00 22.87 H new ATOM 0 HA2 GLY A 219 48.942 23.461 56.627 1.00 23.73 H new ATOM 0 HA3 GLY A 219 49.251 22.790 58.000 1.00 23.73 H new ATOM 2878 N CYS A 220 49.855 20.756 56.610 1.00 21.79 N ATOM 2879 CA CYS A 220 49.991 19.431 55.983 1.00 21.57 C ATOM 2880 C CYS A 220 50.883 18.619 56.884 1.00 21.67 C ATOM 2881 O CYS A 220 51.898 19.082 57.361 1.00 21.32 O ATOM 2882 CB CYS A 220 50.639 19.529 54.603 1.00 20.50 C ATOM 2883 SG CYS A 220 49.761 20.652 53.488 1.00 18.41 S ATOM 0 H CYS A 220 50.562 21.048 57.003 1.00 21.79 H new ATOM 0 HA CYS A 220 49.116 19.029 55.868 1.00 21.57 H new ATOM 0 HB2 CYS A 220 51.555 19.831 54.702 1.00 20.50 H new ATOM 0 HB3 CYS A 220 50.673 18.646 54.204 1.00 20.50 H new ATOM 2888 N ALA A 221A 50.468 17.419 57.087 1.00 21.45 N ATOM 2889 CA ALA A 221A 51.178 16.415 57.919 1.00 23.70 C ATOM 2890 C ALA A 221A 51.470 16.800 59.354 1.00 22.09 C ATOM 2891 O ALA A 221A 52.464 16.363 59.895 1.00 25.03 O ATOM 2892 CB ALA A 221A 52.524 16.033 57.226 1.00 24.47 C ATOM 0 H ALA A 221A 49.738 17.119 56.746 1.00 21.45 H new ATOM 0 HA ALA A 221A 50.555 15.674 57.980 1.00 23.70 H new ATOM 0 HB1 ALA A 221A 52.992 15.377 57.766 1.00 24.47 H new ATOM 0 HB2 ALA A 221A 52.342 15.659 56.350 1.00 24.47 H new ATOM 0 HB3 ALA A 221A 53.076 16.825 57.131 1.00 24.47 H new ATOM 2898 N GLN A 221 50.619 17.569 59.930 1.00 23.20 N ATOM 2899 CA GLN A 221 50.861 17.958 61.346 1.00 24.09 C ATOM 2900 C GLN A 221 50.177 16.904 62.220 1.00 22.46 C ATOM 2901 O GLN A 221 49.223 16.246 61.841 1.00 21.98 O ATOM 2902 CB GLN A 221 50.254 19.346 61.631 1.00 26.17 C ATOM 2903 CG GLN A 221 51.088 20.425 60.872 1.00 28.47 C ATOM 2904 CD GLN A 221 50.445 21.795 61.078 0.40 28.20 C ATOM 2905 OE1 GLN A 221 51.146 22.770 61.233 0.40 30.24 O ATOM 2906 NE2 GLN A 221 49.153 21.941 61.093 0.40 27.38 N ATOM 0 H GLN A 221 49.907 17.888 59.568 1.00 23.20 H new ATOM 0 HA GLN A 221 51.812 18.005 61.531 1.00 24.09 H new ATOM 0 HB2 GLN A 221 49.328 19.373 61.343 1.00 26.17 H new ATOM 0 HB3 GLN A 221 50.260 19.526 62.584 1.00 26.17 H new ATOM 0 HG2 GLN A 221 52.001 20.432 61.199 1.00 28.47 H new ATOM 0 HG3 GLN A 221 51.127 20.213 59.926 1.00 28.47 H new ATOM 0 HE21 GLN A 221 48.642 21.258 60.984 0.40 27.38 H new ATOM 0 HE22 GLN A 221 48.810 22.721 61.212 0.40 27.38 H new ATOM 2915 N LYS A 222 50.713 16.806 63.394 1.00 22.17 N ATOM 2916 CA LYS A 222 50.235 15.859 64.411 1.00 21.91 C ATOM 2917 C LYS A 222 48.849 16.302 64.828 1.00 22.37 C ATOM 2918 O LYS A 222 48.605 17.479 65.017 1.00 22.21 O ATOM 2919 CB LYS A 222 51.252 15.913 65.581 1.00 22.76 C ATOM 2920 CG LYS A 222 50.894 14.961 66.734 1.00 24.78 C ATOM 2921 CD LYS A 222 51.951 15.133 67.839 0.14 24.18 C ATOM 2922 CE LYS A 222 51.624 14.236 69.045 0.14 25.39 C ATOM 2923 NZ LYS A 222 52.614 14.508 70.127 0.14 25.44 N ATOM 0 H LYS A 222 51.379 17.286 63.651 1.00 22.17 H new ATOM 0 HA LYS A 222 50.174 14.945 64.093 1.00 21.91 H new ATOM 0 HB2 LYS A 222 52.135 15.690 65.246 1.00 22.76 H new ATOM 0 HB3 LYS A 222 51.299 16.820 65.920 1.00 22.76 H new ATOM 0 HG2 LYS A 222 50.009 15.162 67.077 1.00 24.78 H new ATOM 0 HG3 LYS A 222 50.876 14.043 66.422 1.00 24.78 H new ATOM 0 HD2 LYS A 222 52.829 14.909 67.492 0.14 24.18 H new ATOM 0 HD3 LYS A 222 51.985 16.061 68.119 0.14 24.18 H new ATOM 0 HE2 LYS A 222 50.724 14.412 69.361 0.14 25.39 H new ATOM 0 HE3 LYS A 222 51.656 13.301 68.787 0.14 25.39 H new ATOM 0 HZ1 LYS A 222 52.434 13.994 70.831 0.14 25.44 H new ATOM 0 HZ2 LYS A 222 53.434 14.329 69.831 0.14 25.44 H new ATOM 0 HZ3 LYS A 222 52.566 15.364 70.366 0.14 25.44 H new ATOM 2937 N ASN A 223 48.017 15.318 64.952 1.00 23.15 N ATOM 2938 CA ASN A 223 46.580 15.424 65.352 1.00 25.28 C ATOM 2939 C ASN A 223 45.746 16.315 64.426 1.00 24.42 C ATOM 2940 O ASN A 223 44.709 16.797 64.839 1.00 23.66 O ATOM 2941 CB ASN A 223 46.431 15.988 66.825 1.00 29.30 C ATOM 2942 CG ASN A 223 47.060 15.058 67.906 1.00 34.00 C ATOM 2943 OD1 ASN A 223 46.743 13.890 68.033 1.00 38.34 O ATOM 2944 ND2 ASN A 223 47.969 15.502 68.734 1.00 36.24 N ATOM 0 H ASN A 223 48.255 14.505 64.804 1.00 23.15 H new ATOM 0 HA ASN A 223 46.242 14.517 65.291 1.00 25.28 H new ATOM 0 HB2 ASN A 223 46.850 16.861 66.875 1.00 29.30 H new ATOM 0 HB3 ASN A 223 45.490 16.114 67.023 1.00 29.30 H new ATOM 0 HD21 ASN A 223 48.306 14.976 69.325 1.00 36.24 H new ATOM 0 HD22 ASN A 223 48.230 16.320 68.688 1.00 36.24 H new ATOM 2951 N LYS A 224 46.225 16.503 63.207 1.00 20.87 N ATOM 2952 CA LYS A 224 45.503 17.331 62.207 1.00 20.35 C ATOM 2953 C LYS A 224 45.474 16.493 60.921 1.00 18.86 C ATOM 2954 O LYS A 224 46.201 16.813 59.998 1.00 16.35 O ATOM 2955 CB LYS A 224 46.242 18.677 61.917 1.00 23.45 C ATOM 2956 CG LYS A 224 46.088 19.675 63.081 1.00 27.47 C ATOM 2957 CD LYS A 224 44.607 20.102 63.234 1.00 30.25 C ATOM 2958 CE ALYS A 224 44.370 21.073 64.401 0.58 30.57 C ATOM 2959 CE BLYS A 224 44.637 20.928 64.538 0.38 32.99 C ATOM 2960 NZ ALYS A 224 42.941 21.525 64.438 0.58 29.63 N ATOM 2961 NZ BLYS A 224 43.688 20.385 65.547 0.38 33.23 N ATOM 0 H LYS A 224 46.964 16.167 62.924 1.00 20.87 H new ATOM 0 HA LYS A 224 44.619 17.558 62.536 1.00 20.35 H new ATOM 0 HB2 LYS A 224 47.184 18.503 61.763 1.00 23.45 H new ATOM 0 HB3 LYS A 224 45.889 19.071 61.104 1.00 23.45 H new ATOM 0 HG2 LYS A 224 46.401 19.270 63.905 1.00 27.47 H new ATOM 0 HG3 LYS A 224 46.641 20.456 62.921 1.00 27.47 H new ATOM 0 HD2ALYS A 224 44.311 20.519 62.410 0.58 30.25 H new ATOM 0 HD2BLYS A 224 44.302 20.629 62.479 0.38 30.25 H new ATOM 0 HD3ALYS A 224 44.061 19.311 63.364 0.58 30.25 H new ATOM 0 HD3BLYS A 224 44.015 19.337 63.304 0.38 30.25 H new ATOM 0 HE2ALYS A 224 44.598 20.640 65.239 0.58 32.99 H new ATOM 0 HE2BLYS A 224 45.536 20.926 64.903 0.38 32.99 H new ATOM 0 HE3ALYS A 224 44.954 21.842 64.311 0.58 32.99 H new ATOM 0 HE3BLYS A 224 44.411 21.851 64.343 0.38 32.99 H new ATOM 0 HZ1ALYS A 224 42.855 22.191 65.022 0.58 33.23 H new ATOM 0 HZ1BLYS A 224 43.595 20.969 66.212 0.38 33.23 H new ATOM 0 HZ2ALYS A 224 42.698 21.807 63.630 0.58 33.23 H new ATOM 0 HZ2BLYS A 224 42.897 20.243 65.165 0.38 33.23 H new ATOM 0 HZ3ALYS A 224 42.421 20.846 64.684 0.58 33.23 H new ATOM 0 HZ3BLYS A 224 44.003 19.617 65.869 0.38 33.23 H new ATOM 2980 N PRO A 225 44.668 15.461 60.850 1.00 15.07 N ATOM 2981 CA PRO A 225 44.634 14.612 59.616 1.00 16.19 C ATOM 2982 C PRO A 225 43.985 15.361 58.428 1.00 13.05 C ATOM 2983 O PRO A 225 43.422 16.430 58.570 1.00 14.80 O ATOM 2984 CB PRO A 225 43.865 13.330 60.054 1.00 15.68 C ATOM 2985 CG PRO A 225 42.925 13.852 61.205 1.00 17.62 C ATOM 2986 CD PRO A 225 43.736 14.983 61.922 1.00 16.52 C ATOM 0 HA PRO A 225 45.516 14.386 59.282 1.00 16.19 H new ATOM 0 HB2 PRO A 225 43.357 12.949 59.321 1.00 15.68 H new ATOM 0 HB3 PRO A 225 44.469 12.640 60.370 1.00 15.68 H new ATOM 0 HG2 PRO A 225 42.090 14.193 60.847 1.00 17.62 H new ATOM 0 HG3 PRO A 225 42.699 13.139 61.822 1.00 17.62 H new ATOM 0 HD2 PRO A 225 43.157 15.694 62.238 1.00 16.52 H new ATOM 0 HD3 PRO A 225 44.218 14.646 62.693 1.00 16.52 H new ATOM 2994 N GLY A 226 44.073 14.780 57.275 1.00 13.09 N ATOM 2995 CA GLY A 226 43.474 15.451 56.114 1.00 11.51 C ATOM 2996 C GLY A 226 41.966 15.189 56.127 1.00 12.29 C ATOM 2997 O GLY A 226 41.566 14.156 56.651 1.00 14.20 O ATOM 0 H GLY A 226 44.455 14.025 57.120 1.00 13.09 H new ATOM 0 HA2 GLY A 226 43.651 16.404 56.147 1.00 11.51 H new ATOM 0 HA3 GLY A 226 43.867 15.118 55.292 1.00 11.51 H new ATOM 3001 N VAL A 227 41.193 16.090 55.566 1.00 10.16 N ATOM 3002 CA VAL A 227 39.714 15.968 55.503 1.00 9.75 C ATOM 3003 C VAL A 227 39.401 15.837 53.997 1.00 7.60 C ATOM 3004 O VAL A 227 39.915 16.570 53.176 1.00 8.61 O ATOM 3005 CB VAL A 227 39.075 17.228 56.136 1.00 10.69 C ATOM 3006 CG1 VAL A 227 37.560 16.999 56.286 1.00 10.76 C ATOM 3007 CG2 VAL A 227 39.666 17.449 57.546 1.00 11.03 C ATOM 0 H VAL A 227 41.496 16.807 55.200 1.00 10.16 H new ATOM 0 HA VAL A 227 39.359 15.210 55.993 1.00 9.75 H new ATOM 0 HB VAL A 227 39.252 17.997 55.572 1.00 10.69 H new ATOM 0 HG11 VAL A 227 37.151 17.784 56.682 1.00 10.76 H new ATOM 0 HG12 VAL A 227 37.169 16.837 55.413 1.00 10.76 H new ATOM 0 HG13 VAL A 227 37.404 16.231 56.857 1.00 10.76 H new ATOM 0 HG21 VAL A 227 39.267 18.238 57.944 1.00 11.03 H new ATOM 0 HG22 VAL A 227 39.477 16.676 58.101 1.00 11.03 H new ATOM 0 HG23 VAL A 227 40.626 17.571 57.479 1.00 11.03 H new ATOM 3017 N TYR A 228 38.557 14.889 53.727 1.00 10.04 N ATOM 3018 CA TYR A 228 38.096 14.508 52.374 1.00 11.34 C ATOM 3019 C TYR A 228 36.588 14.532 52.160 1.00 12.34 C ATOM 3020 O TYR A 228 35.854 14.261 53.079 1.00 9.92 O ATOM 3021 CB TYR A 228 38.622 13.071 52.135 1.00 8.31 C ATOM 3022 CG TYR A 228 40.137 13.022 52.337 1.00 11.25 C ATOM 3023 CD1 TYR A 228 40.932 13.284 51.235 1.00 14.29 C ATOM 3024 CD2 TYR A 228 40.736 12.780 53.564 1.00 11.37 C ATOM 3025 CE1 TYR A 228 42.301 13.315 51.344 1.00 13.41 C ATOM 3026 CE2 TYR A 228 42.112 12.810 53.680 1.00 11.48 C ATOM 3027 CZ TYR A 228 42.909 13.083 52.563 1.00 11.36 C ATOM 3028 OH TYR A 228 44.284 13.177 52.560 1.00 11.95 O ATOM 0 H TYR A 228 38.202 14.407 54.344 1.00 10.04 H new ATOM 0 HA TYR A 228 38.437 15.167 51.750 1.00 11.34 H new ATOM 0 HB2 TYR A 228 38.188 12.455 52.745 1.00 8.31 H new ATOM 0 HB3 TYR A 228 38.400 12.783 51.236 1.00 8.31 H new ATOM 0 HD1 TYR A 228 40.534 13.441 50.409 1.00 14.29 H new ATOM 0 HD2 TYR A 228 40.211 12.597 54.309 1.00 11.37 H new ATOM 0 HE1 TYR A 228 42.821 13.493 50.594 1.00 13.41 H new ATOM 0 HE2 TYR A 228 42.511 12.648 54.504 1.00 11.48 H new ATOM 0 HH TYR A 228 44.578 12.959 51.804 1.00 11.95 H new ATOM 3038 N THR A 229 36.173 14.852 50.960 1.00 10.54 N ATOM 3039 CA THR A 229 34.721 14.900 50.605 1.00 9.67 C ATOM 3040 C THR A 229 34.309 13.423 50.545 1.00 8.68 C ATOM 3041 O THR A 229 34.949 12.614 49.910 1.00 10.41 O ATOM 3042 CB THR A 229 34.523 15.547 49.209 1.00 9.98 C ATOM 3043 OG1 THR A 229 35.106 16.845 49.255 1.00 11.06 O ATOM 3044 CG2 THR A 229 33.036 15.770 48.893 1.00 12.73 C ATOM 0 H THR A 229 36.701 15.052 50.311 1.00 10.54 H new ATOM 0 HA THR A 229 34.202 15.421 51.238 1.00 9.67 H new ATOM 0 HB THR A 229 34.917 14.961 48.544 1.00 9.98 H new ATOM 0 HG1 THR A 229 34.891 17.274 48.565 1.00 11.06 H new ATOM 0 HG21 THR A 229 32.949 16.175 48.016 1.00 12.73 H new ATOM 0 HG22 THR A 229 32.571 14.919 48.904 1.00 12.73 H new ATOM 0 HG23 THR A 229 32.648 16.358 49.560 1.00 12.73 H new ATOM 3052 N LYS A 230 33.231 13.111 51.174 1.00 10.05 N ATOM 3053 CA LYS A 230 32.711 11.728 51.235 1.00 11.05 C ATOM 3054 C LYS A 230 31.897 11.469 49.973 1.00 11.47 C ATOM 3055 O LYS A 230 30.698 11.677 49.971 1.00 8.93 O ATOM 3056 CB LYS A 230 31.869 11.652 52.485 1.00 14.30 C ATOM 3057 CG LYS A 230 31.526 10.203 52.868 1.00 18.36 C ATOM 3058 CD LYS A 230 30.968 10.310 54.276 1.00 22.94 C ATOM 3059 CE LYS A 230 30.784 8.952 54.863 1.00 26.50 C ATOM 3060 NZ LYS A 230 30.016 9.176 56.103 1.00 29.77 N ATOM 0 H LYS A 230 32.747 13.683 51.596 1.00 10.05 H new ATOM 0 HA LYS A 230 33.408 11.055 51.274 1.00 11.05 H new ATOM 0 HB2 LYS A 230 32.343 12.075 53.218 1.00 14.30 H new ATOM 0 HB3 LYS A 230 31.049 12.152 52.351 1.00 14.30 H new ATOM 0 HG2 LYS A 230 30.877 9.820 52.258 1.00 18.36 H new ATOM 0 HG3 LYS A 230 32.311 9.634 52.841 1.00 18.36 H new ATOM 0 HD2 LYS A 230 31.570 10.830 54.831 1.00 22.94 H new ATOM 0 HD3 LYS A 230 30.120 10.780 54.260 1.00 22.94 H new ATOM 0 HE2 LYS A 230 30.306 8.367 54.254 1.00 26.50 H new ATOM 0 HE3 LYS A 230 31.638 8.531 55.049 1.00 26.50 H new ATOM 0 HZ1 LYS A 230 29.870 8.397 56.507 1.00 29.77 H new ATOM 0 HZ2 LYS A 230 30.477 9.710 56.646 1.00 29.77 H new ATOM 0 HZ3 LYS A 230 29.237 9.557 55.905 1.00 29.77 H new ATOM 3074 N VAL A 231 32.558 11.027 48.946 1.00 9.55 N ATOM 3075 CA VAL A 231 31.889 10.744 47.628 1.00 11.16 C ATOM 3076 C VAL A 231 30.657 9.810 47.663 1.00 11.67 C ATOM 3077 O VAL A 231 29.763 10.025 46.857 1.00 10.20 O ATOM 3078 CB VAL A 231 32.981 10.166 46.638 1.00 11.57 C ATOM 3079 CG1 VAL A 231 32.406 9.874 45.212 1.00 15.07 C ATOM 3080 CG2 VAL A 231 34.160 11.145 46.452 1.00 11.55 C ATOM 0 H VAL A 231 33.404 10.871 48.953 1.00 9.55 H new ATOM 0 HA VAL A 231 31.523 11.592 47.332 1.00 11.16 H new ATOM 0 HB VAL A 231 33.279 9.340 47.051 1.00 11.57 H new ATOM 0 HG11 VAL A 231 33.110 9.523 44.645 1.00 15.07 H new ATOM 0 HG12 VAL A 231 31.690 9.223 45.279 1.00 15.07 H new ATOM 0 HG13 VAL A 231 32.061 10.695 44.828 1.00 15.07 H new ATOM 0 HG21 VAL A 231 34.808 10.760 45.841 1.00 11.55 H new ATOM 0 HG22 VAL A 231 33.832 11.982 46.088 1.00 11.55 H new ATOM 0 HG23 VAL A 231 34.583 11.309 47.309 1.00 11.55 H new ATOM 3090 N CYS A 232 30.592 8.834 48.536 1.00 9.25 N ATOM 3091 CA CYS A 232 29.412 7.919 48.550 1.00 11.33 C ATOM 3092 C CYS A 232 28.152 8.678 48.795 1.00 12.86 C ATOM 3093 O CYS A 232 27.116 8.141 48.486 1.00 13.63 O ATOM 3094 CB CYS A 232 29.576 6.833 49.601 1.00 12.68 C ATOM 3095 SG CYS A 232 29.707 7.408 51.289 1.00 15.12 S ATOM 0 H CYS A 232 31.193 8.665 49.128 1.00 9.25 H new ATOM 0 HA CYS A 232 29.357 7.499 47.677 1.00 11.33 H new ATOM 0 HB2 CYS A 232 28.820 6.229 49.540 1.00 12.68 H new ATOM 0 HB3 CYS A 232 30.370 6.317 49.389 1.00 12.68 H new ATOM 3100 N ASN A 233 28.242 9.874 49.319 1.00 12.97 N ATOM 3101 CA ASN A 233 26.994 10.675 49.559 1.00 14.75 C ATOM 3102 C ASN A 233 26.482 11.432 48.289 1.00 15.09 C ATOM 3103 O ASN A 233 25.383 11.960 48.303 1.00 15.06 O ATOM 3104 CB ASN A 233 27.198 11.798 50.610 1.00 14.63 C ATOM 3105 CG ASN A 233 27.291 11.265 52.020 1.00 16.22 C ATOM 3106 OD1 ASN A 233 27.190 10.070 52.239 1.00 16.44 O ATOM 3107 ND2 ASN A 233 27.475 12.104 52.989 1.00 18.04 N ATOM 0 H ASN A 233 28.977 10.259 49.547 1.00 12.97 H new ATOM 0 HA ASN A 233 26.360 10.002 49.853 1.00 14.75 H new ATOM 0 HB2 ASN A 233 28.007 12.290 50.400 1.00 14.63 H new ATOM 0 HB3 ASN A 233 26.461 12.427 50.554 1.00 14.63 H new ATOM 0 HD21 ASN A 233 27.527 11.820 53.799 1.00 18.04 H new ATOM 0 HD22 ASN A 233 27.545 12.945 52.822 1.00 18.04 H new ATOM 3114 N TYR A 234 27.284 11.465 47.261 1.00 12.89 N ATOM 3115 CA TYR A 234 26.934 12.182 45.998 1.00 13.13 C ATOM 3116 C TYR A 234 26.789 11.355 44.736 1.00 13.00 C ATOM 3117 O TYR A 234 26.741 11.944 43.663 1.00 12.31 O ATOM 3118 CB TYR A 234 28.034 13.221 45.727 1.00 12.93 C ATOM 3119 CG TYR A 234 28.239 14.175 46.891 1.00 10.18 C ATOM 3120 CD1 TYR A 234 27.451 15.295 47.028 1.00 8.87 C ATOM 3121 CD2 TYR A 234 29.209 13.908 47.816 1.00 9.05 C ATOM 3122 CE1 TYR A 234 27.645 16.131 48.089 1.00 11.16 C ATOM 3123 CE2 TYR A 234 29.414 14.749 48.892 1.00 11.13 C ATOM 3124 CZ TYR A 234 28.629 15.863 49.028 1.00 10.20 C ATOM 3125 OH TYR A 234 28.818 16.702 50.101 1.00 13.10 O ATOM 0 H TYR A 234 28.054 11.082 47.245 1.00 12.89 H new ATOM 0 HA TYR A 234 26.050 12.544 46.167 1.00 13.13 H new ATOM 0 HB2 TYR A 234 28.868 12.762 45.539 1.00 12.93 H new ATOM 0 HB3 TYR A 234 27.805 13.730 44.933 1.00 12.93 H new ATOM 0 HD1 TYR A 234 26.790 15.481 46.401 1.00 8.87 H new ATOM 0 HD2 TYR A 234 29.738 13.149 47.719 1.00 9.05 H new ATOM 0 HE1 TYR A 234 27.112 16.887 48.183 1.00 11.16 H new ATOM 0 HE2 TYR A 234 30.077 14.561 49.517 1.00 11.13 H new ATOM 0 HH TYR A 234 28.247 17.318 50.080 1.00 13.10 H new ATOM 3135 N VAL A 235 26.719 10.061 44.860 1.00 14.52 N ATOM 3136 CA VAL A 235 26.603 9.228 43.636 1.00 13.44 C ATOM 3137 C VAL A 235 25.345 9.546 42.839 1.00 12.48 C ATOM 3138 O VAL A 235 25.444 9.670 41.634 1.00 11.84 O ATOM 3139 CB VAL A 235 26.690 7.726 44.095 1.00 15.27 C ATOM 3140 CG1 VAL A 235 26.560 6.816 42.868 1.00 17.25 C ATOM 3141 CG2 VAL A 235 28.132 7.444 44.647 1.00 16.06 C ATOM 0 H VAL A 235 26.734 9.631 45.604 1.00 14.52 H new ATOM 0 HA VAL A 235 27.325 9.421 43.018 1.00 13.44 H new ATOM 0 HB VAL A 235 25.997 7.564 44.754 1.00 15.27 H new ATOM 0 HG11 VAL A 235 26.613 5.888 43.146 1.00 17.25 H new ATOM 0 HG12 VAL A 235 25.706 6.975 42.436 1.00 17.25 H new ATOM 0 HG13 VAL A 235 27.278 7.008 42.245 1.00 17.25 H new ATOM 0 HG21 VAL A 235 28.194 6.519 44.933 1.00 16.06 H new ATOM 0 HG22 VAL A 235 28.784 7.611 43.949 1.00 16.06 H new ATOM 0 HG23 VAL A 235 28.310 8.027 45.401 1.00 16.06 H new ATOM 3151 N SER A 236 24.226 9.673 43.486 1.00 12.61 N ATOM 3152 CA SER A 236 22.987 9.980 42.743 1.00 15.01 C ATOM 3153 C SER A 236 23.086 11.318 42.043 1.00 13.12 C ATOM 3154 O SER A 236 22.658 11.422 40.911 1.00 11.86 O ATOM 3155 CB ASER A 236 21.820 10.013 43.724 0.39 15.61 C ATOM 3156 CB BSER A 236 21.790 9.976 43.721 0.18 15.43 C ATOM 3157 OG ASER A 236 22.120 8.946 44.625 0.39 16.15 O ATOM 3158 OG BSER A 236 22.383 10.104 45.014 0.18 16.61 O ATOM 0 H SER A 236 24.136 9.592 44.337 1.00 12.61 H new ATOM 0 HA SER A 236 22.850 9.294 42.071 1.00 15.01 H new ATOM 0 HB2ASER A 236 21.763 10.865 44.184 0.39 15.43 H new ATOM 0 HB2BSER A 236 21.182 10.709 43.537 0.18 15.43 H new ATOM 0 HB3ASER A 236 20.971 9.875 43.276 0.39 15.43 H new ATOM 0 HB3BSER A 236 21.277 9.156 43.648 0.18 15.43 H new ATOM 0 HG ASER A 236 21.518 8.894 45.209 0.39 16.61 H new ATOM 0 HG BSER A 236 22.678 10.884 45.111 0.18 16.61 H new ATOM 3167 N TRP A 237 23.634 12.293 42.736 1.00 11.79 N ATOM 3168 CA TRP A 237 23.772 13.651 42.129 1.00 12.83 C ATOM 3169 C TRP A 237 24.737 13.521 40.941 1.00 10.89 C ATOM 3170 O TRP A 237 24.515 14.054 39.873 1.00 11.47 O ATOM 3171 CB TRP A 237 24.330 14.725 43.247 1.00 12.57 C ATOM 3172 CG TRP A 237 24.617 16.084 42.543 1.00 13.26 C ATOM 3173 CD1 TRP A 237 23.699 16.983 42.063 1.00 13.94 C ATOM 3174 CD2 TRP A 237 25.864 16.545 42.248 1.00 14.50 C ATOM 3175 NE1 TRP A 237 24.451 17.920 41.501 1.00 14.59 N ATOM 3176 CE2 TRP A 237 25.767 17.757 41.554 1.00 14.53 C ATOM 3177 CE3 TRP A 237 27.130 16.013 42.530 1.00 16.13 C ATOM 3178 CZ2 TRP A 237 26.933 18.411 41.146 1.00 14.71 C ATOM 3179 CZ3 TRP A 237 28.291 16.678 42.117 1.00 14.77 C ATOM 3180 CH2 TRP A 237 28.196 17.873 41.425 1.00 14.32 C ATOM 0 H TRP A 237 23.932 12.218 43.539 1.00 11.79 H new ATOM 0 HA TRP A 237 22.915 13.986 41.824 1.00 12.83 H new ATOM 0 HB2 TRP A 237 23.675 14.845 43.953 1.00 12.57 H new ATOM 0 HB3 TRP A 237 25.138 14.386 43.664 1.00 12.57 H new ATOM 0 HD1 TRP A 237 22.771 16.945 42.118 1.00 13.94 H new ATOM 0 HE1 TRP A 237 24.100 18.605 41.118 1.00 14.59 H new ATOM 0 HE3 TRP A 237 27.199 15.211 42.996 1.00 16.13 H new ATOM 0 HZ2 TRP A 237 26.869 19.215 40.683 1.00 14.71 H new ATOM 0 HZ3 TRP A 237 29.126 16.317 42.308 1.00 14.77 H new ATOM 0 HH2 TRP A 237 28.965 18.316 41.147 1.00 14.32 H new ATOM 3191 N ILE A 238 25.809 12.817 41.132 1.00 10.62 N ATOM 3192 CA ILE A 238 26.775 12.673 39.994 1.00 10.78 C ATOM 3193 C ILE A 238 26.112 11.997 38.759 1.00 12.37 C ATOM 3194 O ILE A 238 26.148 12.525 37.667 1.00 15.25 O ATOM 3195 CB ILE A 238 28.003 11.847 40.515 1.00 11.04 C ATOM 3196 CG1 ILE A 238 28.835 12.744 41.480 1.00 8.81 C ATOM 3197 CG2 ILE A 238 28.887 11.461 39.289 1.00 12.59 C ATOM 3198 CD1 ILE A 238 29.876 11.878 42.169 1.00 12.53 C ATOM 0 H ILE A 238 26.024 12.417 41.862 1.00 10.62 H new ATOM 0 HA ILE A 238 27.066 13.548 39.693 1.00 10.78 H new ATOM 0 HB ILE A 238 27.706 11.049 40.980 1.00 11.04 H new ATOM 0 HG12 ILE A 238 29.265 13.460 40.987 1.00 8.81 H new ATOM 0 HG13 ILE A 238 28.255 13.160 42.137 1.00 8.81 H new ATOM 0 HG21 ILE A 238 29.653 10.949 39.591 1.00 12.59 H new ATOM 0 HG22 ILE A 238 28.366 10.927 38.669 1.00 12.59 H new ATOM 0 HG23 ILE A 238 29.193 12.267 38.844 1.00 12.59 H new ATOM 0 HD11 ILE A 238 30.402 12.424 42.774 1.00 12.53 H new ATOM 0 HD12 ILE A 238 29.433 11.176 42.671 1.00 12.53 H new ATOM 0 HD13 ILE A 238 30.459 11.480 41.503 1.00 12.53 H new ATOM 3210 N LYS A 239 25.528 10.854 38.993 1.00 12.50 N ATOM 3211 CA LYS A 239 24.873 10.124 37.883 1.00 14.06 C ATOM 3212 C LYS A 239 23.815 10.943 37.179 1.00 14.74 C ATOM 3213 O LYS A 239 23.818 10.961 35.958 1.00 15.17 O ATOM 3214 CB LYS A 239 24.254 8.820 38.428 1.00 15.34 C ATOM 3215 CG LYS A 239 25.405 7.847 38.826 1.00 18.51 C ATOM 3216 CD LYS A 239 24.811 6.439 39.054 1.00 18.53 C ATOM 3217 CE LYS A 239 25.944 5.502 39.488 0.16 20.60 C ATOM 3218 NZ LYS A 239 25.387 4.193 39.919 0.16 22.14 N ATOM 0 H LYS A 239 25.486 10.470 39.761 1.00 12.50 H new ATOM 0 HA LYS A 239 25.556 9.928 37.223 1.00 14.06 H new ATOM 0 HB2 LYS A 239 23.693 9.010 39.197 1.00 15.34 H new ATOM 0 HB3 LYS A 239 23.686 8.411 37.756 1.00 15.34 H new ATOM 0 HG2 LYS A 239 26.077 7.819 38.127 1.00 18.51 H new ATOM 0 HG3 LYS A 239 25.846 8.160 39.631 1.00 18.51 H new ATOM 0 HD2 LYS A 239 24.120 6.470 39.734 1.00 18.53 H new ATOM 0 HD3 LYS A 239 24.395 6.112 38.241 1.00 18.53 H new ATOM 0 HE2 LYS A 239 26.565 5.372 38.754 0.16 20.60 H new ATOM 0 HE3 LYS A 239 26.445 5.904 40.215 0.16 20.60 H new ATOM 0 HZ1 LYS A 239 26.051 3.656 40.169 0.16 22.14 H new ATOM 0 HZ2 LYS A 239 24.832 4.317 40.604 0.16 22.14 H new ATOM 0 HZ3 LYS A 239 24.944 3.821 39.242 0.16 22.14 H new ATOM 3232 N GLN A 240 22.963 11.572 37.948 1.00 13.99 N ATOM 3233 CA GLN A 240 21.846 12.423 37.402 1.00 15.61 C ATOM 3234 C GLN A 240 22.409 13.629 36.639 1.00 16.69 C ATOM 3235 O GLN A 240 21.923 13.964 35.569 1.00 16.07 O ATOM 3236 CB GLN A 240 20.954 12.843 38.600 1.00 17.98 C ATOM 3237 CG GLN A 240 19.657 13.545 38.193 0.07 18.06 C ATOM 3238 CD GLN A 240 18.615 13.207 39.267 0.07 17.00 C ATOM 3239 OE1 GLN A 240 18.891 13.168 40.448 0.07 16.26 O ATOM 3240 NE2 GLN A 240 17.397 12.941 38.907 0.07 15.77 N ATOM 0 H GLN A 240 22.987 11.539 38.807 1.00 13.99 H new ATOM 0 HA GLN A 240 21.310 11.929 36.762 1.00 15.61 H new ATOM 0 HB2 GLN A 240 20.735 12.054 39.120 1.00 17.98 H new ATOM 0 HB3 GLN A 240 21.462 13.432 39.179 1.00 17.98 H new ATOM 0 HG2 GLN A 240 19.789 14.504 38.132 0.07 18.06 H new ATOM 0 HG3 GLN A 240 19.362 13.243 37.320 0.07 18.06 H new ATOM 0 HE21 GLN A 240 17.180 12.963 38.075 0.07 15.77 H new ATOM 0 HE22 GLN A 240 16.807 12.743 39.500 0.07 15.77 H new ATOM 3249 N THR A 241 23.410 14.244 37.186 1.00 13.66 N ATOM 3250 CA THR A 241 24.008 15.408 36.504 1.00 12.85 C ATOM 3251 C THR A 241 24.743 15.019 35.207 1.00 13.11 C ATOM 3252 O THR A 241 24.550 15.679 34.194 1.00 13.33 O ATOM 3253 CB THR A 241 24.986 16.090 37.469 1.00 12.64 C ATOM 3254 OG1 THR A 241 24.108 16.503 38.516 1.00 13.61 O ATOM 3255 CG2 THR A 241 25.580 17.373 36.859 1.00 14.12 C ATOM 0 H THR A 241 23.771 14.030 37.936 1.00 13.66 H new ATOM 0 HA THR A 241 23.291 16.011 36.252 1.00 12.85 H new ATOM 0 HB THR A 241 25.725 15.512 37.718 1.00 12.64 H new ATOM 0 HG1 THR A 241 24.033 15.884 39.079 1.00 13.61 H new ATOM 0 HG21 THR A 241 26.192 17.779 37.492 1.00 14.12 H new ATOM 0 HG22 THR A 241 26.057 17.153 36.044 1.00 14.12 H new ATOM 0 HG23 THR A 241 24.865 17.996 36.656 1.00 14.12 H new ATOM 3263 N ILE A 242 25.555 14.001 35.204 1.00 13.45 N ATOM 3264 CA ILE A 242 26.243 13.697 33.913 1.00 15.40 C ATOM 3265 C ILE A 242 25.276 13.172 32.863 1.00 15.44 C ATOM 3266 O ILE A 242 25.518 13.352 31.685 1.00 16.33 O ATOM 3267 CB ILE A 242 27.399 12.670 34.168 1.00 17.85 C ATOM 3268 CG1 ILE A 242 26.871 11.313 34.657 1.00 19.36 C ATOM 3269 CG2 ILE A 242 28.321 13.256 35.266 1.00 18.55 C ATOM 3270 CD1 ILE A 242 28.060 10.353 34.913 1.00 23.00 C ATOM 0 H ILE A 242 25.735 13.487 35.870 1.00 13.45 H new ATOM 0 HA ILE A 242 26.614 14.523 33.565 1.00 15.40 H new ATOM 0 HB ILE A 242 27.869 12.525 33.332 1.00 17.85 H new ATOM 0 HG12 ILE A 242 26.357 11.430 35.471 1.00 19.36 H new ATOM 0 HG13 ILE A 242 26.272 10.932 33.996 1.00 19.36 H new ATOM 0 HG21 ILE A 242 29.047 12.638 35.443 1.00 18.55 H new ATOM 0 HG22 ILE A 242 28.685 14.103 34.965 1.00 18.55 H new ATOM 0 HG23 ILE A 242 27.809 13.395 36.078 1.00 18.55 H new ATOM 0 HD11 ILE A 242 27.724 9.497 35.222 1.00 23.00 H new ATOM 0 HD12 ILE A 242 28.557 10.227 34.090 1.00 23.00 H new ATOM 0 HD13 ILE A 242 28.644 10.733 35.588 1.00 23.00 H new ATOM 3282 N ALA A 243 24.208 12.550 33.278 1.00 14.71 N ATOM 3283 CA ALA A 243 23.234 12.014 32.249 1.00 15.14 C ATOM 3284 C ALA A 243 22.376 13.143 31.677 1.00 16.32 C ATOM 3285 O ALA A 243 21.762 13.004 30.641 1.00 16.59 O ATOM 3286 CB ALA A 243 22.285 10.981 32.875 1.00 15.04 C ATOM 0 H ALA A 243 23.998 12.412 34.101 1.00 14.71 H new ATOM 0 HA ALA A 243 23.761 11.601 31.548 1.00 15.14 H new ATOM 0 HB1 ALA A 243 21.672 10.653 32.199 1.00 15.04 H new ATOM 0 HB2 ALA A 243 22.801 10.240 33.230 1.00 15.04 H new ATOM 0 HB3 ALA A 243 21.782 11.397 33.592 1.00 15.04 H new ATOM 3292 N SER A 244 22.341 14.252 32.359 1.00 16.08 N ATOM 3293 CA SER A 244 21.524 15.368 31.840 1.00 17.44 C ATOM 3294 C SER A 244 22.389 16.491 31.251 1.00 18.01 C ATOM 3295 O SER A 244 21.831 17.525 30.946 1.00 19.60 O ATOM 3296 CB SER A 244 20.668 15.913 33.021 1.00 20.25 C ATOM 3297 OG SER A 244 20.104 14.745 33.622 1.00 24.33 O ATOM 0 H SER A 244 22.756 14.400 33.097 1.00 16.08 H new ATOM 0 HA SER A 244 20.961 15.044 31.119 1.00 17.44 H new ATOM 0 HB2 SER A 244 21.212 16.408 33.653 1.00 20.25 H new ATOM 0 HB3 SER A 244 19.977 16.518 32.707 1.00 20.25 H new ATOM 0 HG SER A 244 20.612 14.471 34.232 1.00 24.33 H new ATOM 3303 N ASN A 245 23.668 16.259 31.105 1.00 16.31 N ATOM 3304 CA ASN A 245 24.599 17.291 30.557 1.00 17.20 C ATOM 3305 C ASN A 245 25.579 16.758 29.477 1.00 17.15 C ATOM 3306 O ASN A 245 26.331 17.619 29.034 1.00 17.37 O ATOM 3307 CB ASN A 245 25.384 17.893 31.755 1.00 15.18 C ATOM 3308 CG ASN A 245 24.500 18.834 32.597 1.00 16.96 C ATOM 3309 OD1 ASN A 245 24.334 20.009 32.306 1.00 17.49 O ATOM 3310 ND2 ASN A 245 23.886 18.399 33.663 1.00 16.85 N ATOM 3311 OXT ASN A 245 25.536 15.575 29.159 1.00 15.67 O ATOM 0 H ASN A 245 24.046 15.514 31.310 1.00 16.31 H new ATOM 0 HA ASN A 245 24.067 17.961 30.099 1.00 17.20 H new ATOM 0 HB2 ASN A 245 25.720 17.176 32.315 1.00 15.18 H new ATOM 0 HB3 ASN A 245 26.155 18.381 31.425 1.00 15.18 H new ATOM 0 HD21 ASN A 245 23.393 18.933 34.123 1.00 16.85 H new ATOM 0 HD22 ASN A 245 23.974 17.579 33.905 1.00 16.85 H new TER 3318 ASN A 245 HETATM 3319 CA CA A 247 54.116 14.869 31.039 1.00 31.33 CA HETATM 3320 MG MG A 263 45.634 14.898 43.375 1.00 19.27 MG HETATM 3321 S SO4 A 339 24.686 14.442 61.543 1.00 66.81 S HETATM 3322 O1 SO4 A 339 24.198 15.063 62.760 1.00 61.68 O HETATM 3323 O2 SO4 A 339 24.355 13.030 61.574 1.00 63.15 O HETATM 3324 O3 SO4 A 339 24.076 15.056 60.392 1.00 62.14 O HETATM 3325 O4 SO4 A 339 26.112 14.617 61.424 1.00 64.52 O HETATM 3326 ZN ZN A 409 43.217 22.603 48.146 0.89 18.91 ZN HETATM 3327 C1 BAK A 246 45.224 19.633 52.808 1.00 19.38 C HETATM 3328 C2 BAK A 246 44.739 19.285 51.503 1.00 19.57 C HETATM 3329 C3 BAK A 246 44.374 20.267 50.548 1.00 19.95 C HETATM 3330 C4 BAK A 246 44.510 21.583 50.942 1.00 22.69 C HETATM 3331 C5 BAK A 246 44.966 21.924 52.181 1.00 21.91 C HETATM 3332 C6 BAK A 246 45.324 20.998 53.122 1.00 18.54 C HETATM 3333 C7 BAK A 246 45.606 18.681 53.762 1.00 18.86 C HETATM 3334 C8 BAK A 246 44.591 23.639 51.110 1.00 26.19 C HETATM 3335 C9 ABAK A 246 44.566 25.017 50.837 0.16 28.64 C HETATM 3336 C9 BBAK A 246 44.552 25.024 50.780 0.57 28.65 C HETATM 3337 N1 BAK A 246 46.357 19.039 54.764 1.00 17.61 N HETATM 3338 N2 BAK A 246 45.221 17.439 53.622 1.00 18.66 N HETATM 3339 N3 BAK A 246 44.271 22.692 50.278 1.00 22.91 N HETATM 3340 N4 BAK A 246 44.987 23.228 52.257 1.00 24.49 N HETATM 3341 C1'ABAK A 246 43.275 26.562 45.449 0.16 34.67 C HETATM 3342 C1'BBAK A 246 43.511 27.634 45.675 0.57 32.83 C HETATM 3343 C2'ABAK A 246 43.445 27.875 45.991 0.16 35.85 C HETATM 3344 C2'BBAK A 246 43.300 26.272 45.288 0.57 31.00 C HETATM 3345 C3'ABAK A 246 43.780 28.094 47.340 0.16 35.28 C HETATM 3346 C3'BBAK A 246 43.423 25.218 46.207 0.57 30.54 C HETATM 3347 C4'ABAK A 246 43.939 26.976 48.120 0.16 33.27 C HETATM 3348 C4'BBAK A 246 43.757 25.576 47.499 0.57 30.29 C HETATM 3349 C5'ABAK A 246 43.781 25.734 47.617 0.16 32.56 C HETATM 3350 C5'BBAK A 246 43.958 26.839 47.901 0.57 29.99 C HETATM 3351 C6'ABAK A 246 43.453 25.465 46.314 0.16 34.10 C HETATM 3352 C6'BBAK A 246 43.845 27.892 47.029 0.57 32.09 C HETATM 3353 C7'ABAK A 246 42.948 26.374 44.115 0.16 34.56 C HETATM 3354 C7'BBAK A 246 43.404 28.687 44.760 0.57 33.20 C HETATM 3355 C8'ABAK A 246 44.265 25.605 49.612 0.16 30.44 C HETATM 3356 C8'BBAK A 246 44.245 25.582 49.517 0.57 30.40 C HETATM 3357 N1'ABAK A 246 42.534 25.201 43.696 0.16 33.69 N HETATM 3358 N1'BBAK A 246 43.920 29.858 45.060 0.57 34.87 N HETATM 3359 N2'ABAK A 246 43.075 27.385 43.291 0.16 35.55 N HETATM 3360 N2'BBAK A 246 42.795 28.485 43.623 0.57 33.00 N HETATM 3361 N3'ABAK A 246 44.247 26.893 49.392 0.16 31.52 N HETATM 3362 N3'BBAK A 246 43.943 24.817 48.530 0.57 29.68 N HETATM 3363 N4'ABAK A 246 43.990 24.888 48.571 0.16 31.33 N HETATM 3364 N4'BBAK A 246 44.265 26.850 49.182 0.57 30.90 N HETATM 3365 O9 ABAK A 246 44.823 25.752 51.770 0.16 29.99 O HETATM 3366 O9 BBAK A 246 44.796 25.789 51.691 0.57 30.31 O HETATM 0 HN4'ABAK A 246 43.954 24.030 48.524 0.16 30.90 H new HETATM 0 HN4'BBAK A 246 44.438 27.529 49.681 0.57 30.90 H new HETATM 0 HH22 BAK A 246 45.452 16.849 54.204 1.00 18.66 H new HETATM 0 HH21 BAK A 246 44.737 17.212 52.948 1.00 18.66 H new HETATM 0 HH12 BAK A 246 46.594 18.458 55.352 1.00 17.61 H new HETATM 0 HH11 BAK A 246 46.616 19.856 54.837 1.00 17.61 H new HETATM 0 H2'2ABAK A 246 42.877 27.289 42.459 0.16 33.00 H new HETATM 0 H2'2BBAK A 246 42.724 29.126 43.054 0.57 33.00 H new HETATM 0 H2'1ABAK A 246 43.356 28.144 43.582 0.16 33.00 H new HETATM 0 H2'1BBAK A 246 42.465 27.711 43.443 0.57 33.00 H new HETATM 0 H1'2ABAK A 246 42.332 25.087 42.868 0.16 34.87 H new HETATM 0 H1'2BBAK A 246 43.859 30.510 44.503 0.57 34.87 H new HETATM 0 H1'1ABAK A 246 42.465 24.546 44.250 0.16 34.87 H new HETATM 0 H1'1BBAK A 246 44.319 29.972 45.813 0.57 34.87 H new HETATM 0 HN4 BAK A 246 45.217 23.708 52.932 1.00 24.49 H new HETATM 0 H6'ABAK A 246 43.347 24.554 45.999 0.16 32.09 H new HETATM 0 H6'BBAK A 246 43.992 28.801 47.334 0.57 32.09 H new HETATM 0 H6 BAK A 246 45.642 21.280 53.994 1.00 18.54 H new HETATM 0 H3'ABAK A 246 43.893 28.988 47.700 0.16 30.54 H new HETATM 0 H3'BBAK A 246 43.282 24.293 45.950 0.57 30.54 H new HETATM 0 H3 BAK A 246 44.047 20.028 49.667 1.00 19.95 H new HETATM 0 H2'ABAK A 246 43.325 28.641 45.408 0.16 31.00 H new HETATM 0 H2'BBAK A 246 43.066 26.072 44.368 0.57 31.00 H new HETATM 0 H2 BAK A 246 44.658 18.348 51.267 1.00 19.57 H new HETATM 3389 O HOH A 248 38.784 13.256 42.543 1.00 14.65 O HETATM 3392 O HOH A 249 34.953 18.749 52.417 1.00 18.75 O HETATM 3395 O HOH A 250 47.587 16.922 42.223 1.00 12.80 O HETATM 3398 O HOH A 251 54.981 8.660 39.615 1.00 18.23 O HETATM 3401 O HOH A 252 48.065 18.541 58.932 1.00 21.12 O HETATM 3404 O HOH A 253 55.876 12.720 49.272 1.00 26.89 O HETATM 3407 O HOH A 254 52.894 15.341 45.873 1.00 14.22 O HETATM 3410 O HOH A 255 49.494 20.213 34.470 1.00 15.86 O HETATM 3413 O HOH A 256 52.348 5.210 51.853 1.00 28.12 O HETATM 3416 O HOH A 257 36.614 10.305 59.664 1.00 10.87 O HETATM 3419 O HOH A 258 48.209 7.777 33.797 1.00 21.41 O HETATM 3422 O HOH A 259 41.911 13.521 67.128 1.00 41.65 O HETATM 3425 O HOH A 260 48.156 15.048 58.993 1.00 34.74 O HETATM 3428 O HOH A 261 51.863 8.766 36.324 1.00 24.69 O HETATM 3431 O HOH A 262 52.009 23.940 32.585 1.00 20.55 O HETATM 3434 O HOH A 264 32.232 18.084 51.811 1.00 13.36 O HETATM 3437 O HOH A 265 45.580 12.476 54.848 1.00 17.56 O HETATM 3440 O HOH A 266 47.300 12.703 57.831 1.00 18.76 O HETATM 3443 O HOH A 267 52.996 10.726 29.863 1.00 17.08 O HETATM 3446 O HOH A 268 51.388 19.042 32.568 1.00 14.16 O HETATM 3449 O HOH A 269 47.180 12.807 34.296 1.00 14.70 O HETATM 3452 O HOH A 270 48.045 9.814 35.558 1.00 25.37 O HETATM 3455 O HOH A 271 53.350 16.937 30.343 1.00 16.81 O HETATM 3458 O HOH A 272 30.922 26.036 32.637 1.00 24.07 O HETATM 3461 O HOH A 273 27.207 13.259 29.396 1.00 28.35 O HETATM 3464 O HOH A 274 52.752 22.994 36.194 1.00 17.00 O HETATM 3467 O HOH A 275 45.125 9.879 33.560 1.00 19.58 O HETATM 3470 O HOH A 276 49.478 7.517 37.035 1.00 20.76 O HETATM 3473 O HOH A 277 57.486 8.310 38.321 1.00 23.34 O HETATM 3476 O HOH A 278 31.076 29.674 46.206 1.00 15.89 O HETATM 3479 O HOH A 279 29.903 28.975 48.537 1.00 18.99 O HETATM 3482 O HOH A 280 44.490 7.353 43.990 1.00 14.82 O HETATM 3485 O HOH A 281 32.772 7.984 50.207 1.00 11.71 O HETATM 3488 O HOH A 282 33.394 22.958 58.124 1.00 20.77 O HETATM 3491 O HOH A 283 33.315 18.463 64.074 1.00 25.92 O HETATM 3494 O HOH A 284 41.293 3.747 61.247 1.00 42.08 O HETATM 3497 O HOH A 286 32.955 6.170 28.944 1.00 28.52 O HETATM 3500 O HOH A 287 53.927 22.076 33.433 1.00 32.45 O HETATM 3503 O HOH A 288 59.952 7.286 45.987 1.00 41.93 O HETATM 3506 O HOH A 289 46.742 25.829 29.698 1.00 38.47 O HETATM 3509 O HOH A 290 46.296 6.160 61.122 1.00 30.53 O HETATM 3512 O HOH A 291 41.825 -0.127 45.265 1.00 31.10 O HETATM 3515 O HOH A 292 33.178 6.651 52.891 1.00 29.32 O HETATM 3518 O HOH A 293 41.318 -2.046 43.074 1.00 36.97 O HETATM 3521 O HOH A 294 27.446 10.323 30.262 1.00 19.79 O HETATM 3524 O HOH A 295 27.451 13.770 26.388 1.00 33.33 O HETATM 3527 O HOH A 297 34.897 7.286 59.468 1.00 34.63 O HETATM 3530 O HOH A 298 39.620 27.761 62.461 1.00 29.91 O HETATM 3533 O HOH A 299 54.232 19.375 29.666 1.15 27.23 O HETATM 3536 O HOH A 300 25.467 9.208 31.933 1.00 25.30 O HETATM 3539 O HOH A 301 35.423 1.209 49.035 1.00 21.22 O HETATM 3542 O HOH A 303 46.725 7.514 63.503 1.00 37.37 O HETATM 3545 O HOH A 304 32.533 10.036 57.423 1.00 50.82 O HETATM 3548 O HOH A 305 30.742 23.003 59.122 1.00 24.63 O HETATM 3551 O HOH A 306 40.568 5.889 63.646 1.00 33.74 O HETATM 3554 O HOH A 307 29.582 6.619 34.479 1.00 44.70 O HETATM 3557 O HOH A 309 54.151 12.548 31.423 1.00 18.62 O HETATM 3560 O HOH A 310 24.832 8.540 34.545 1.00 24.47 O HETATM 3563 O HOH A 311 27.385 25.295 34.861 1.00 39.95 O HETATM 3566 O HOH A 313 23.884 15.862 46.701 1.00 33.20 O HETATM 3569 O HOH A 314 36.071 28.071 46.904 1.00 26.25 O HETATM 3572 O HOH A 316 57.725 14.365 52.059 1.00 32.21 O HETATM 3575 O HOH A 317 48.242 24.446 52.226 1.00 55.60 O HETATM 3578 O HOH A 318 26.616 24.011 54.746 1.00 52.41 O HETATM 3581 O HOH A 319 51.995 22.533 57.857 1.00 44.22 O HETATM 3584 O HOH A 320 33.366 6.442 62.614 1.00 36.70 O HETATM 3587 O HOH A 321 32.350 28.448 44.214 1.00 17.30 O HETATM 3590 O HOH A 322 32.384 15.378 25.632 1.00 48.29 O HETATM 3593 O HOH A 323 46.886 8.221 26.227 1.00 26.15 O HETATM 3596 O HOH A 324 56.194 20.118 28.121 1.00 47.61 O HETATM 3599 O HOH A 325 42.761 16.524 52.472 1.00 15.87 O HETATM 3602 O HOH A 330 54.000 8.331 30.648 1.00 32.74 O HETATM 3605 O HOH A 332 41.142 30.094 49.620 1.00 49.08 O HETATM 3608 O HOH A 333 37.684 25.347 56.767 1.39 53.82 O HETATM 3611 O HOH A 335 36.741 30.295 58.493 1.00 36.34 O HETATM 3614 O HOH A 336 39.477 27.365 49.729 1.00 49.07 O HETATM 3617 O HOH A 337 41.050 23.715 51.094 1.00 21.41 O HETATM 3620 O HOH A 338 26.393 16.747 59.440 1.00 47.24 O HETATM 3623 O HOH A 340 21.634 18.002 59.198 1.00 48.96 O HETATM 3626 O HOH A 342 25.939 25.191 32.345 1.00 59.86 O HETATM 3629 O HOH A 343 22.026 21.415 31.639 1.00 37.72 O HETATM 3632 O HOH A 344 35.410 26.228 34.447 1.00 52.56 O HETATM 3635 O HOH A 346 38.565 31.587 37.684 1.00 54.31 O HETATM 3638 O HOH A 349 29.643 28.047 59.642 1.00 33.96 O HETATM 3641 O HOH A 350 28.738 30.932 50.939 1.00 53.52 O HETATM 3644 O HOH A 351 36.899 30.446 55.673 1.00 22.63 O HETATM 3647 O HOH A 353 41.931 -2.262 53.901 1.00 41.19 O HETATM 3650 O HOH A 355 51.145 2.126 44.124 1.00 46.43 O HETATM 3653 O HOH A 356 46.429 -0.059 25.607 1.00 39.77 O HETATM 3656 O HOH A 357 41.165 2.308 36.453 1.00 52.83 O HETATM 3659 O HOH A 358 38.810 2.892 31.728 1.00 25.48 O HETATM 3662 O HOH A 362 46.276 24.760 54.440 1.00 48.08 O HETATM 3665 O HOH A 363 49.169 26.102 58.016 1.00 45.18 O HETATM 3668 O HOH A 364 44.316 4.192 61.858 1.00 41.13 O HETATM 3671 O HOH A 370 49.740 7.792 63.813 1.00 56.66 O HETATM 3674 O HOH A 373 37.737 -1.646 58.379 1.00 24.25 O HETATM 3677 O HOH A 374 42.352 -0.039 48.757 1.00 57.38 O HETATM 3680 O HOH A 376 23.511 12.505 45.947 1.00 25.46 O HETATM 3683 O HOH A 377 53.886 21.893 30.353 1.00 40.57 O HETATM 3686 O HOH A 378 45.651 18.152 57.377 1.00 34.28 O HETATM 3689 O HOH A 379 44.028 24.808 56.475 1.00 28.85 O HETATM 3692 O HOH A 380 44.862 -1.873 71.038 1.00 29.61 O HETATM 3695 O HOH A 381 41.947 -1.552 71.135 1.00 36.87 O HETATM 3698 O HOH A 383 24.407 20.575 52.920 1.00 34.04 O HETATM 3701 O HOH A 385 25.825 7.587 54.353 1.00 52.03 O HETATM 3704 O HOH A 390 31.097 12.876 59.640 1.00 31.02 O HETATM 3707 O HOH A 392 57.477 13.397 56.916 1.00 55.24 O HETATM 3710 O HOH A 393 48.279 22.758 25.608 1.00 44.81 O HETATM 3713 O HOH A 395 62.327 20.023 28.846 1.00 23.49 O HETATM 3716 O HOH A 396 33.009 5.613 37.004 1.00 36.67 O HETATM 3719 O HOH A 397 36.474 24.785 65.504 1.00 55.67 O HETATM 3722 O HOH A 401 22.611 30.713 59.636 1.00 45.63 O HETATM 3725 O HOH A 404 18.208 32.255 60.087 1.00 40.71 O HETATM 3728 O HOH A 406 17.359 24.810 60.180 1.00 22.98 O HETATM 3731 O HOH A 407 28.397 6.943 67.522 1.00 57.64 O HETATM 3734 O HOH A 408 57.296 12.458 23.459 1.00 55.29 O HETATM 3737 O HOH A 432 32.464 31.746 47.531 1.00 45.98 O HETATM 3740 O HOH A 436 25.576 15.299 24.594 1.00 42.29 O HETATM 3743 O HOH A 438 30.453 4.029 38.513 1.00 46.46 O HETATM 3746 O HOH A 445 34.450 -4.636 41.865 1.00 43.65 O HETATM 3749 O HOH A 463 31.354 18.897 25.758 1.00 52.41 O HETATM 3752 O HOH A 466 24.972 22.994 34.250 1.00 43.53 O HETATM 3755 O HOH A 476 26.554 22.614 57.994 1.00 49.53 O HETATM 3758 O HOH A 479 44.621 5.609 23.007 1.00 59.07 O HETATM 3761 O HOH A 480 36.401 -1.480 41.107 1.00 42.93 O HETATM 3764 O HOH A 481 24.232 9.367 46.641 1.00 47.75 O HETATM 3767 O HOH A 483 37.541 1.144 39.424 1.00 42.06 O HETATM 3770 O HOH A 500 23.147 6.470 42.259 1.00 54.90 O HETATM 3773 O HOH A 503 51.803 4.681 54.494 1.00 43.83 O HETATM 3776 O HOH A 506 42.259 0.855 41.762 1.00 47.58 O HETATM 3779 O HOH A 511 53.877 26.368 54.334 1.00 59.75 O HETATM 3782 O HOH A 524 42.728 24.239 53.832 1.00 41.18 O HETATM 3785 O HOH A 528 33.483 7.722 24.198 1.00 30.84 O HETATM 3788 O HOH A 530 65.701 16.808 32.729 1.00 43.83 O HETATM 3791 O HOH A 536 33.628 10.733 20.109 1.00 34.71 O HETATM 3794 O HOH A 556 36.813 25.885 31.963 1.00 44.91 O HETATM 3797 O HOH A 561 37.626 5.571 24.791 1.00 56.28 O HETATM 3800 O HOH A 563 38.297 6.224 21.278 1.00 60.01 O HETATM 3803 O HOH A 564 53.390 20.895 26.019 1.00 45.19 O HETATM 3806 O HOH A 565 40.504 27.341 42.574 1.00 48.27 O HETATM 3809 O HOH A 567 46.479 29.661 46.623 1.00 58.90 O HETATM 3812 O HOH A 572 32.457 34.529 49.500 1.00 60.27 O HETATM 3815 O HOH A 573 27.966 3.149 39.703 1.00 54.72 O HETATM 3818 O HOH A 574 55.597 4.793 54.504 1.00 52.40 O HETATM 3821 O HOH A 587 34.958 25.584 59.099 1.00 45.81 O HETATM 3824 O HOH A 615 33.508 35.724 45.259 1.00 57.71 O HETATM 3827 O HOH A 625 56.649 7.674 31.292 1.00 50.42 O HETATM 3830 O HOH A 630 44.987 10.071 22.210 1.00 45.90 O HETATM 3833 O HOH A 659 46.092 2.277 40.320 1.00 48.24 O HETATM 3836 O HOH A 660 48.216 -1.008 39.419 1.00 51.49 O HETATM 3839 O CHOH A 662 44.546 -0.059 36.252 0.50 52.83 O HETATM 3842 O HOH A 677 53.844 19.810 41.402 1.00 56.01 O HETATM 3845 O HOH A 684 43.674 -0.271 66.506 1.00 53.23 O HETATM 3848 O HOH A 696 40.379 12.920 19.996 1.00 63.01 O HETATM 3851 O HOH A 705 55.676 2.504 35.070 1.00 60.69 O HETATM 3854 O HOH A 726 30.588 5.854 56.670 1.00 54.51 O HETATM 3857 O HOH A 758 38.849 2.660 63.931 1.00 54.18 O HETATM 3860 O HOH A 783 42.134 11.419 17.369 1.00 55.67 O HETATM 3863 O HOH A 806 23.565 5.019 34.476 1.00 59.56 O HETATM 3866 O HOH A 810 24.305 17.256 50.144 1.00 43.30 O HETATM 3869 O HOH A 811 23.645 17.311 53.312 1.00 55.51 O HETATM 3872 O HOH A 814 54.810 -1.279 32.582 1.00 50.40 O HETATM 3875 O HOH A 815 44.182 2.579 42.515 1.00 43.25 O HETATM 3878 O HOH A 824 42.941 0.234 60.030 1.00 56.63 O HETATM 3881 O AHOH A 826 34.157 6.134 67.505 0.50 59.04 O HETATM 3884 O BHOH A 827 33.789 6.660 65.691 0.50 50.58 O HETATM 3887 O HOH A 828 38.259 9.916 69.719 1.00 57.58 O HETATM 3890 O HOH A 831 41.209 4.349 65.769 1.00 54.21 O HETATM 3893 O HOH A 862 33.700 29.105 59.141 1.00 41.99 O HETATM 3896 O HOH A 867 40.051 13.621 22.684 1.00 53.98 O HETATM 3899 O HOH A 885 26.106 5.220 65.124 1.00 58.49 O HETATM 3902 O HOH A 899 58.488 5.865 50.977 1.00 51.49 O HETATM 3905 O HOH A 906 19.935 34.655 50.189 1.00 44.49 O HETATM 3908 O HOH A 907 60.324 3.248 57.475 1.00 51.94 O HETATM 3911 O HOH A 919 47.651 9.100 23.645 1.00 42.62 O HETATM 3914 O HOH A 924 31.305 2.052 36.755 1.00 54.79 O HETATM 3917 O HOH A 925 31.098 -0.514 31.691 1.00 57.86 O HETATM 3920 O HOH A 927 44.150 1.263 45.141 1.00 47.87 O HETATM 3923 O HOH A 928 22.317 4.024 40.232 1.00 60.75 O HETATM 3926 O HOH A 929 29.784 3.610 34.415 1.00 42.65 O HETATM 3929 O HOH A 933 32.276 32.394 31.514 1.00 36.89 O HETATM 3932 O HOH A 941 13.869 19.992 65.874 1.00 50.30 O HETATM 3935 O HOH A 944 22.224 23.037 28.292 1.00 43.50 O HETATM 3938 O HOH A 946 38.643 31.171 45.912 1.00 56.76 O HETATM 3941 O HOH A 947 36.708 30.640 48.229 1.00 50.73 O HETATM 3944 O HOH A 950 20.444 8.719 37.597 1.00 60.00 O HETATM 3947 O HOH A 952 19.011 5.309 34.959 1.00 50.34 O HETATM 3950 O HOH A 954 20.433 4.256 38.267 1.00 56.44 O HETATM 3953 O HOH A 958 62.156 8.114 57.733 1.00 48.21 O HETATM 3956 O HOH A 967 34.116 32.307 18.713 1.00 51.65 O HETATM 3959 O CHOH A 979 50.292 0.165 36.457 0.50 51.49 O HETATM 3962 O HOH A 988 25.790 4.561 46.302 1.00 46.42 O HETATM 3965 O HOH A1008 23.948 16.545 58.133 1.00 45.87 O HETATM 3968 O HOH A1010 31.760 15.566 22.731 1.00 47.81 O HETATM 3971 O HOH A1015 21.040 16.665 39.749 1.00 41.53 O HETATM 3974 O HOH A1025 43.629 2.126 47.692 1.00 44.23 O HETATM 3977 O HOH A1028 59.250 17.660 45.708 1.00 41.30 O HETATM 3980 O HOH A1064 47.376 4.781 23.344 1.00 52.63 O HETATM 3983 O CHOH A1074 59.289 8.078 54.759 0.50 53.00 O HETATM 3986 O HOH A1080 44.608 12.007 16.331 1.00 46.07 O HETATM 3989 O HOH A1086 45.629 16.224 71.277 1.00 43.80 O HETATM 3992 O HOH A1099 47.805 28.373 29.230 1.00 46.68 O HETATM 3995 O HOH A1103 31.481 10.838 64.651 1.00 39.58 O HETATM 3998 O CHOH A1105 48.085 12.064 18.505 0.50 45.90 O HETATM 4001 O HOH A1121 43.656 -0.895 62.424 1.00 47.00 O HETATM 4004 O HOH A1132 27.663 7.053 56.586 1.00 45.49 O HETATM 4007 O HOH A1162 47.348 27.920 23.612 1.00 45.68 O HETATM 4010 O HOH A1219 57.888 3.656 28.781 1.00 48.74 O HETATM 4013 O HOH A1220 60.755 2.519 29.360 1.00 50.92 O HETATM 4016 O HOH A1221 61.811 5.042 27.688 1.00 50.07 O HETATM 4019 O HOH A1222 59.319 6.682 27.783 1.00 49.47 O HETATM 4022 O HOH A1224 59.045 0.973 27.419 1.00 49.46 O HETATM 4025 O HOH A1225 56.345 2.023 26.677 1.00 52.93 O HETATM 4028 O HOH A1226 36.084 30.587 43.452 1.00 53.07 O HETATM 4031 O HOH A1227 34.639 32.925 45.909 1.00 52.18 O HETATM 4034 O HOH A1228 18.285 6.067 37.608 1.00 49.28 O HETATM 4037 O HOH A1229 17.047 8.414 36.584 1.00 59.05 O HETATM 4040 O HOH A1230 15.850 9.060 39.099 1.00 52.91 O HETATM 4043 O HOH A1231 44.770 9.317 17.747 1.00 45.05 O HETATM 4046 O HOH A1232 43.754 10.839 19.733 1.00 49.58 O HETATM 4049 O HOH A1233 62.405 21.722 45.674 1.00 46.53 O HETATM 4052 O HOH A1234 23.783 13.950 49.162 1.00 51.58 O HETATM 4055 O HOH A1235 56.657 8.589 54.825 1.00 45.05 O CONECT 92 2063 CONECT 200 3320 CONECT 361 601 CONECT 588 3326 CONECT 601 361 CONECT 789 3319 CONECT 812 3319 CONECT 859 3319 CONECT 932 3319 CONECT 1679 3095 CONECT 1758 2695 CONECT 1804 3320 CONECT 2063 92 CONECT 2226 2438 CONECT 2438 2226 CONECT 2579 2883 CONECT 2611 3320 CONECT 2625 3326 CONECT 2695 1758 CONECT 2883 2579 CONECT 3095 1679 CONECT 3319 789 812 859 932 CONECT 3319 3455 3557 CONECT 3320 200 1804 2611 3395 CONECT 3321 3322 3323 3324 3325 CONECT 3322 3321 CONECT 3323 3321 CONECT 3324 3321 CONECT 3325 3321 CONECT 3326 588 2625 3339 3362 CONECT 3327 3328 3332 3333 CONECT 3328 3327 3329 3367 CONECT 3329 3328 3330 3368 CONECT 3330 3329 3331 3339 CONECT 3331 3330 3332 3340 CONECT 3332 3327 3331 3369 CONECT 3333 3327 3337 3338 CONECT 3334 3335 3336 3339 3340 CONECT 3335 3334 3355 3365 CONECT 3336 3334 3356 3366 CONECT 3337 3333 3370 3371 CONECT 3338 3333 3372 3373 CONECT 3339 3326 3330 3334 CONECT 3340 3331 3334 3374 CONECT 3341 3343 3351 3353 CONECT 3342 3344 3352 3354 CONECT 3343 3341 3345 3375 CONECT 3344 3342 3346 3376 CONECT 3345 3343 3347 3377 CONECT 3346 3344 3348 3378 CONECT 3347 3345 3349 3361 CONECT 3348 3346 3350 3362 CONECT 3349 3347 3351 3363 CONECT 3350 3348 3352 3364 CONECT 3351 3341 3349 3379 CONECT 3352 3342 3350 3380 CONECT 3353 3341 3357 3359 CONECT 3354 3342 3358 3360 CONECT 3355 3335 3361 3363 CONECT 3356 3336 3362 3364 CONECT 3357 3353 3381 3383 CONECT 3358 3354 3382 3384 CONECT 3359 3353 3385 3387 CONECT 3360 3354 3386 3388 CONECT 3361 3347 3355 CONECT 3362 3326 3348 3356 CONECT 3363 3349 3355 CONECT 3364 3350 3356 CONECT 3365 3335 CONECT 3366 3336 CONECT 3367 3328 CONECT 3368 3329 CONECT 3369 3332 CONECT 3370 3337 CONECT 3371 3337 CONECT 3372 3338 CONECT 3373 3338 CONECT 3374 3340 CONECT 3375 3343 CONECT 3376 3344 CONECT 3377 3345 CONECT 3378 3346 CONECT 3379 3351 CONECT 3380 3352 CONECT 3381 3357 CONECT 3382 3358 CONECT 3383 3357 CONECT 3384 3358 CONECT 3385 3359 CONECT 3386 3360 CONECT 3387 3359 CONECT 3388 3360 CONECT 3395 3320 CONECT 3455 3319 CONECT 3557 3319 END