USER MOD reduce.3.24.130724 H: found=0, std=0, add=1647, rem=0, adj=65 USER MOD reduce.3.24.130724 removed 2012 hydrogens (378 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2H 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 1C2H 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2H 1 VERSN REVDAT 2 26-SEP-01 1C2H 3 ATOM REVDAT 1 26-JUL-00 1C2H 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)) : 1.800 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 81.0 REMARK 3 NUMBER OF REFLECTIONS : 31052 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) : 0.186 REMARK 3 FREE R VALUE : 0.218 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3124 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) (%) : 32.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1370 REMARK 3 BIN R VALUE (WORKING SET) : 0.4630 REMARK 3 BIN FREE R VALUE : 0.4720 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 153 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 : 3284 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 45 REMARK 3 SOLVENT ATOMS : 546 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_KBZN604.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZN604.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 1C2H 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 RCSB001254. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-JAN-97 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 6.04 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 : 28271 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.380 REMARK 200 RESOLUTION RANGE LOW (A) : 109.690 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 81.0 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.06000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.3000 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 (%) : 32.3 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.25000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.200 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 46 MM ZN(II), PH 6.04 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 36.56333 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 73.12667 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 73.12667 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 36.56333 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 REMARK 400 NITROGEN, HIS57 IS MONOPROTONATED ON THE DELTA REMARK 400 NITROGEN. HIS40 IS 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 H1 HOH A 379 H2 HOH A 576 0.72 REMARK 500 HG SER A 32 HD1 HIS A 40 0.91 REMARK 500 HH TYR A 39 HZ3 LYS A 60 1.27 REMARK 500 H1 HOH A 379 O HOH A 576 1.30 REMARK 500 HD22 ASN A 48 H GLN A 50 1.42 REMARK 500 O TYR A 184 H2 HOH A 389 1.50 REMARK 500 HD22 ASN A 25 H1 HOH A 258 1.54 REMARK 500 O HOH A 379 H2 HOH A 576 1.56 REMARK 500 HH12 ARG A 66 H2 HOH A 268 1.56 REMARK 500 O GLY A 216 H2 HOH A 379 1.58 REMARK 500 HZ3 LYS A 87 H2 HOH A 466 1.58 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 H2 HOH A 321 H1 HOH A 395 5565 1.56 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 CD1 - NE1 - CE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -7.5 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 9.3 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 8.3 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CD2 ANGL. DEV. = -6.7 DEGREES REMARK 500 CYS A 182 CA - CB - SG ANGL. DEV. = 7.1 DEGREES REMARK 500 VAL A 199 N - CA - C ANGL. DEV. = -17.8 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.7 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CZ2 ANGL. DEV. = 6.6 DEGREES REMARK 500 TYR A 228 CB - CG - CD1 ANGL. DEV. = -4.0 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 7.6 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 9.2 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 -79.29 -135.26 REMARK 500 SER A 147 77.52 -110.26 REMARK 500 SER A 195 130.97 -35.37 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 0.10 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 340 DISTANCE = 6.51 ANGSTROMS REMARK 525 HOH A 350 DISTANCE = 5.42 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 13.02 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.42 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.68 ANGSTROMS REMARK 525 HOH A 394 DISTANCE = 6.41 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.20 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 12.73 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.32 ANGSTROMS REMARK 525 HOH A 415 DISTANCE = 7.22 ANGSTROMS REMARK 525 HOH A 450 DISTANCE = 21.89 ANGSTROMS REMARK 525 HOH A 452 DISTANCE = 13.51 ANGSTROMS REMARK 525 HOH A 522 DISTANCE = 5.95 ANGSTROMS REMARK 525 HOH A 530 DISTANCE = 6.72 ANGSTROMS REMARK 525 HOH A 536 DISTANCE = 5.21 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 ZN A 411 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 BAK A 246 N4 REMARK 620 2 HOH A 576 O 121.3 REMARK 620 3 HOH A 568 O 97.0 106.0 REMARK 620 4 BAK A 246 O9 85.4 134.3 106.5 REMARK 620 N 1 2 3 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 80 OE2 REMARK 620 2 HOH A 271 O 91.2 REMARK 620 3 VAL A 75 O 89.8 89.9 REMARK 620 4 HOH A 309 O 72.6 159.4 102.3 REMARK 620 5 ASN A 72 O 162.5 106.3 91.4 90.1 REMARK 620 6 GLU A 70 OE1 91.1 83.9 173.8 83.8 89.5 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 109.5 REMARK 620 3 HOH A 250 O 117.6 96.7 REMARK 620 4 GLN A 30 OE1 89.7 152.3 91.4 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 BAK A 246 N3 REMARK 620 2 BAK A 246 N3' 83.6 REMARK 620 3 SER A 195 OG 108.4 115.7 REMARK 620 4 HIS A 57 NE2 124.4 110.8 111.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 410 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 BAK A 246 O9 REMARK 620 2 BAK A 246 N4' 65.8 REMARK 620 3 HOH A 415 O 161.3 131.3 REMARK 620 N 1 2 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 ZN A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 411 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 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: 1C2E 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: 1C2J RELATED DB: PDB DBREF 1C2H 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 ZN A 409 1 HET ZN A 410 1 HET ZN A 411 1 HET BAK A 246 40 HETNAM CA CALCIUM ION HETNAM MG MAGNESIUM 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 ZN 3(ZN 2+) FORMUL 7 BAK C17 H16 N8 O 2+ FORMUL 8 HOH *182(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 O VAL A 52 N ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.01 SSBOND *** CYS A 42 CYS A 58 1555 1555 1.99 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.02 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.03 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.01 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.02 LINK N4 BAK A 246 ZN ZN A 411 1555 1555 1.92 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.38 LINK CA CA A 247 O HOH A 271 1555 1555 2.32 LINK CA CA A 247 O VAL A 75 1555 1555 2.16 LINK CA CA A 247 O HOH A 309 1555 1555 2.33 LINK CA CA A 247 O ASN A 72 1555 1555 2.23 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.38 LINK MG MG A 263 O SER A 139 1555 1555 2.74 LINK MG MG A 263 O ASP A 194 1555 1555 2.90 LINK MG MG A 263 O HOH A 250 1555 1555 2.83 LINK MG MG A 263 OE1 GLN A 30 1555 1555 3.05 LINK ZN ZN A 409 N3 BAK A 246 1555 1555 2.35 LINK ZN ZN A 409 N3' BAK A 246 1555 1555 2.23 LINK ZN ZN A 409 OG SER A 195 1555 1555 2.29 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.32 LINK ZN ZN A 410 O9 BAK A 246 1555 1555 2.63 LINK ZN ZN A 410 N4' BAK A 246 1555 1555 2.46 LINK ZN ZN A 411 O HOH A 576 1555 1555 2.01 LINK ZN ZN A 411 O HOH A 568 1555 1555 2.45 LINK ZN ZN A 411 O9 BAK A 246 1555 1555 2.17 LINK ZN ZN A 410 O HOH A 415 1555 5665 2.77 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 3 HIS A 57 SER A 195 BAK A 246 SITE *** AC4 4 GLN A 192 BAK A 246 HOH A 413 HOH A 415 SITE *** AC5 3 BAK A 246 HOH A 568 HOH A 576 SITE *** AC6 13 ASP A 189 SER A 190 SER A 214 TRP A 215 SITE *** AC6 13 GLY A 219 GLY A 226 HOH A 325 HOH A 378 SITE *** AC6 13 ZN A 409 ZN A 410 ZN A 411 HOH A 413 SITE *** AC6 13 HOH A 565 CRYST1 54.950 54.950 109.690 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 0.018198 0.010507 0.000000 0.00000 SCALE2 0.000000 0.021014 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009117 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 409 ZNZN :(H bumps) USER MOD NoAdj-H: A 246 BAK HN4 : A 246 BAK N4 : A 411 ZNZN :(H bumps) USER MOD Set 1.1: A 217 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 221 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.068) USER MOD Set 2.1: A 190 SER OG : rot -110:sc= 0.894 USER MOD Set 2.2: A 228 TYR OH : rot -177:sc= 1.96 USER MOD Set 3.1: A 164 SER OG : rot 180:sc= 1.07 USER MOD Set 3.2: A 166 SER OG : rot -93:sc= 0.0391 USER MOD Set 3.3: A 167 SER OG : rot -88:sc= 1.17 USER MOD Set 4.1: A 20 TYR OH : rot 15:sc= 0.355 USER MOD Set 4.2: A 159 LYS NZ :NH3+ -175:sc= 0.384 (180deg=0) USER MOD Set 5.1: A 144 THR OG1 : rot 180:sc= -0.315 USER MOD Set 5.2: A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 30 GLN : amide:sc= -1.57 K(o=-2.1,f=2.8) USER MOD Set 6.2: A 139 SER OG : rot -97:sc= -0.504 USER MOD Set 7.1: A 101 ASN : amide:sc= 1.46 K(o=0.75,f=-0.33) USER MOD Set 7.2: A 234 TYR OH : rot 4:sc= -0.711 USER MOD Set 8.1: A 100 ASN : amide:sc= 0.122 K(o=1.2,f=-1.4) USER MOD Set 8.2: A 177 THR OG1 : rot -129:sc= 0.0855 USER MOD Set 8.3: A 179 ASN : amide:sc= 0.52 K(o=1.2,f=-0.45) USER MOD Set 8.4: A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.5: A 233 ASN : amide:sc= 0.48 K(o=1.2,f=-0.45) USER MOD Set 9.1: A 87 LYS NZ A:NH3+ -151:sc= 0.691 (180deg=0) USER MOD Set 9.2: A 87 LYS NZ B:NH3+ 144:sc= 0.217 (180deg=0) USER MOD Set 9.3: A 245 ASN : amide:sc= 1.34 K(o=2.2,f=-6.1!) USER MOD Set10.1: A 37 SER OG : rot -84:sc= 1.75 USER MOD Set10.2: A 39 TYR OH : rot 30:sc= 0.409 USER MOD Set10.3: A 60 LYS NZ :NH3+ -121:sc= 1.32 (180deg=0.267) USER MOD Set11.1: A 32 SER OG : rot 63:sc= 2.42 USER MOD Set11.2: A 40 HIS : no HD1:sc= 1.12 K(o=3.5,f=-6.2!) USER MOD Set12.1: A 21 THR OG1 : rot 82:sc= 0.772 USER MOD Set12.2: A 156 LYS NZ :NH3+ -151:sc= 0.878 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.197 X(o=0.2,f=0.54) USER MOD Single : A 26 THR OG1 : rot -87:sc= 0.784 USER MOD Single : A 29 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 34 ASN : amide:sc= 1.05 K(o=1.1,f=-2.8!) USER MOD Single : A 45 SER OG : rot 98:sc= -1.22! USER MOD Single : A 48 ASN : amide:sc= -7.53! K(o=-7.5!,f=-0.11) USER MOD Single : A 49 SER OG : rot -89:sc= 0.00991 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 54 SER OG : rot 97:sc= 0.7 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= 0.221 K(o=0.22,f=-6.3!) USER MOD Single : A 72 ASN : amide:sc= 0.166 K(o=0.17,f=-9.2!) USER MOD Single : A 74 ASN : amide:sc= 0.349 K(o=0.35,f=-1.1) USER MOD Single : A 79 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.1) USER MOD Single : A 81 GLN : amide:sc= 1.33 K(o=1.3,f=-3.6!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0042 USER MOD Single : A 88 SER OG A: rot 180:sc=-0.00192 USER MOD Single : A 88 SER OG B: rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0.717 K(o=0.72,f=-4.7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -4:sc= 0.719 USER MOD Single : A 95 ASN : amide:sc= -0.189 K(o=-0.19,f=-6.8!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1 K(o=-1,f=-0.094) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0177 USER MOD Single : A 104 MET CE :methyl -120:sc= -0.967 (180deg=-1.64) USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 1.3 (180deg=1.07) 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= 0.131 K(o=0.13,f=-11!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0669 USER MOD Single : A 120 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0265 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 93:sc= 0.703 USER MOD Single : A 135 GLN : amide:sc= -1.05 X(o=-1.1,f=-1) USER MOD Single : A 143 ASN : amide:sc= 0.596 K(o=0.6,f=-5.6!) USER MOD Single : A 146 SER OG : rot 180:sc= 0.109 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.0136 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG A: rot -80:sc= 0.471 USER MOD Single : A 170 SER OG B: rot 82:sc= 0.974 USER MOD Single : A 172 TYR OH : rot 10:sc= 0.775 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 178 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 184 TYR OH : rot -5:sc= 0.75 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -0.513 K(o=-0.51,f=0) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 154:sc= -0.0535 (180deg=-0.507) USER MOD Single : A 210 GLN : amide:sc= 0.551 K(o=0.55,f=1.3) USER MOD Single : A 214 SER OG : rot 56:sc= 2.2 USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc=-0.00996 X(o=-0.01,f=-0.4) USER MOD Single : A 224 LYS NZ :NH3+ -170:sc= 0.534 (180deg=0.51) USER MOD Single : A 229 THR OG1 : rot -165:sc= 0.879 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc= 0.0276 USER MOD Single : A 236 SER OG B: rot 89:sc= 0.764 USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= -0.0341 K(o=-0.034,f=-0.77) USER MOD Single : A 241 THR OG1 : rot 89:sc= 0.529 USER MOD Single : A 244 SER OG : rot 93:sc= 0.522 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.751 15.802 48.358 1.00 16.93 N ATOM 2 CA ILE A 16 51.673 14.583 49.211 1.00 18.77 C ATOM 3 C ILE A 16 52.958 14.634 50.036 1.00 19.29 C ATOM 4 O ILE A 16 54.019 14.701 49.449 1.00 17.97 O ATOM 5 CB ILE A 16 51.661 13.247 48.333 1.00 18.74 C ATOM 6 CG1 ILE A 16 50.406 13.158 47.362 1.00 20.24 C ATOM 7 CG2 ILE A 16 51.717 11.963 49.265 1.00 18.80 C ATOM 8 CD1 ILE A 16 49.074 12.857 48.119 1.00 20.18 C ATOM 0 HA ILE A 16 50.862 14.568 49.743 1.00 18.77 H new ATOM 0 HB ILE A 16 52.454 13.278 47.775 1.00 18.74 H new ATOM 0 HG12 ILE A 16 50.316 13.994 46.879 1.00 20.24 H new ATOM 0 HG13 ILE A 16 50.562 12.464 46.702 1.00 20.24 H new ATOM 0 HG21 ILE A 16 51.709 11.164 48.716 1.00 18.80 H new ATOM 0 HG22 ILE A 16 52.529 11.983 49.795 1.00 18.80 H new ATOM 0 HG23 ILE A 16 50.947 11.957 49.855 1.00 18.80 H new ATOM 0 HD11 ILE A 16 48.343 12.813 47.483 1.00 20.18 H new ATOM 0 HD12 ILE A 16 49.150 12.008 48.583 1.00 20.18 H new ATOM 0 HD13 ILE A 16 48.901 13.562 48.762 1.00 20.18 H new ATOM 22 N VAL A 17 52.807 14.580 51.324 1.00 19.62 N ATOM 23 CA VAL A 17 53.943 14.628 52.266 1.00 20.92 C ATOM 24 C VAL A 17 54.058 13.197 52.838 1.00 21.27 C ATOM 25 O VAL A 17 53.046 12.631 53.214 1.00 21.92 O ATOM 26 CB VAL A 17 53.625 15.601 53.399 1.00 20.73 C ATOM 27 CG1 VAL A 17 54.840 15.757 54.329 1.00 22.13 C ATOM 28 CG2 VAL A 17 53.179 16.948 52.870 1.00 21.66 C ATOM 0 H VAL A 17 52.040 14.513 51.707 1.00 19.62 H new ATOM 0 HA VAL A 17 54.762 14.919 51.836 1.00 20.92 H new ATOM 0 HB VAL A 17 52.888 15.230 53.909 1.00 20.73 H new ATOM 0 HG11 VAL A 17 54.624 16.377 55.043 1.00 22.13 H new ATOM 0 HG12 VAL A 17 55.070 14.895 54.709 1.00 22.13 H new ATOM 0 HG13 VAL A 17 55.594 16.098 53.823 1.00 22.13 H new ATOM 0 HG21 VAL A 17 52.986 17.540 53.614 1.00 21.66 H new ATOM 0 HG22 VAL A 17 53.885 17.332 52.326 1.00 21.66 H new ATOM 0 HG23 VAL A 17 52.381 16.836 52.331 1.00 21.66 H new ATOM 38 N GLY A 18 55.265 12.701 52.860 1.00 21.83 N ATOM 39 CA GLY A 18 55.630 11.334 53.381 1.00 22.87 C ATOM 40 C GLY A 18 55.143 10.190 52.533 1.00 24.52 C ATOM 41 O GLY A 18 54.905 9.117 53.051 1.00 27.90 O ATOM 0 H GLY A 18 55.946 13.139 52.569 1.00 21.83 H new ATOM 0 HA2 GLY A 18 56.595 11.277 53.457 1.00 22.87 H new ATOM 0 HA3 GLY A 18 55.269 11.235 54.276 1.00 22.87 H new ATOM 45 N GLY A 19 55.029 10.434 51.261 1.00 24.46 N ATOM 46 CA GLY A 19 54.543 9.370 50.343 1.00 22.50 C ATOM 47 C GLY A 19 55.676 8.865 49.475 1.00 23.43 C ATOM 48 O GLY A 19 56.827 9.072 49.814 1.00 25.30 O ATOM 0 H GLY A 19 55.216 11.185 50.886 1.00 24.46 H new ATOM 0 HA2 GLY A 19 54.170 8.637 50.857 1.00 22.50 H new ATOM 0 HA3 GLY A 19 53.830 9.717 49.785 1.00 22.50 H new ATOM 52 N TYR A 20 55.343 8.216 48.389 1.00 21.01 N ATOM 53 CA TYR A 20 56.386 7.682 47.484 1.00 20.24 C ATOM 54 C TYR A 20 56.010 7.957 46.046 1.00 19.70 C ATOM 55 O TYR A 20 54.877 8.270 45.740 1.00 19.54 O ATOM 56 CB TYR A 20 56.499 6.188 47.764 1.00 19.88 C ATOM 57 CG TYR A 20 55.151 5.481 47.558 1.00 19.35 C ATOM 58 CD1 TYR A 20 54.835 4.953 46.330 1.00 20.23 C ATOM 59 CD2 TYR A 20 54.231 5.357 48.581 1.00 20.36 C ATOM 60 CE1 TYR A 20 53.629 4.307 46.124 1.00 21.69 C ATOM 61 CE2 TYR A 20 53.036 4.714 48.372 1.00 20.53 C ATOM 62 CZ TYR A 20 52.721 4.184 47.152 1.00 20.85 C ATOM 63 OH TYR A 20 51.513 3.534 46.984 1.00 24.54 O ATOM 0 H TYR A 20 54.534 8.064 48.140 1.00 21.01 H new ATOM 0 HA TYR A 20 57.244 8.109 47.637 1.00 20.24 H new ATOM 0 HB2 TYR A 20 57.166 5.796 47.178 1.00 19.88 H new ATOM 0 HB3 TYR A 20 56.804 6.049 48.674 1.00 19.88 H new ATOM 0 HD1 TYR A 20 55.440 5.031 45.628 1.00 20.23 H new ATOM 0 HD2 TYR A 20 54.423 5.712 49.419 1.00 20.36 H new ATOM 0 HE1 TYR A 20 53.430 3.954 45.287 1.00 21.69 H new ATOM 0 HE2 TYR A 20 52.430 4.638 49.073 1.00 20.53 H new ATOM 0 HH TYR A 20 51.533 3.083 46.276 1.00 24.54 H new ATOM 73 N THR A 21 56.964 7.828 45.180 1.00 20.69 N ATOM 74 CA THR A 21 56.714 8.055 43.719 1.00 20.43 C ATOM 75 C THR A 21 55.841 6.872 43.286 1.00 20.86 C ATOM 76 O THR A 21 56.190 5.717 43.476 1.00 22.76 O ATOM 77 CB THR A 21 58.058 8.046 43.010 1.00 20.39 C ATOM 78 OG1 THR A 21 58.766 9.171 43.527 1.00 21.40 O ATOM 79 CG2 THR A 21 57.878 8.234 41.503 1.00 19.18 C ATOM 0 H THR A 21 57.773 7.612 45.378 1.00 20.69 H new ATOM 0 HA THR A 21 56.278 8.897 43.515 1.00 20.43 H new ATOM 0 HB THR A 21 58.521 7.206 43.153 1.00 20.39 H new ATOM 0 HG1 THR A 21 59.115 8.968 44.263 1.00 21.40 H new ATOM 0 HG21 THR A 21 58.746 8.225 41.070 1.00 19.18 H new ATOM 0 HG22 THR A 21 57.333 7.513 41.150 1.00 19.18 H new ATOM 0 HG23 THR A 21 57.440 9.083 41.333 1.00 19.18 H new ATOM 87 N CYS A 22 54.734 7.186 42.690 1.00 20.94 N ATOM 88 CA CYS A 22 53.811 6.110 42.244 1.00 21.48 C ATOM 89 C CYS A 22 54.338 5.163 41.181 1.00 23.30 C ATOM 90 O CYS A 22 54.250 3.958 41.327 1.00 26.80 O ATOM 91 CB CYS A 22 52.516 6.717 41.678 1.00 20.31 C ATOM 92 SG CYS A 22 51.675 7.874 42.771 1.00 19.86 S ATOM 0 H CYS A 22 54.474 7.988 42.522 1.00 20.94 H new ATOM 0 HA CYS A 22 53.678 5.590 43.052 1.00 21.48 H new ATOM 0 HB2 CYS A 22 52.724 7.172 40.847 1.00 20.31 H new ATOM 0 HB3 CYS A 22 51.905 5.996 41.461 1.00 20.31 H new ATOM 97 N GLY A 23 54.839 5.762 40.157 1.00 21.70 N ATOM 98 CA GLY A 23 55.386 5.013 39.013 1.00 21.87 C ATOM 99 C GLY A 23 54.510 5.588 37.904 1.00 21.70 C ATOM 100 O GLY A 23 53.329 5.870 38.048 1.00 21.38 O ATOM 0 H GLY A 23 54.886 6.617 40.077 1.00 21.70 H new ATOM 0 HA2 GLY A 23 56.330 5.184 38.871 1.00 21.87 H new ATOM 0 HA3 GLY A 23 55.284 4.053 39.111 1.00 21.87 H new ATOM 104 N ALA A 24 55.143 5.755 36.783 1.00 22.35 N ATOM 105 CA ALA A 24 54.411 6.319 35.624 1.00 21.66 C ATOM 106 C ALA A 24 53.214 5.487 35.271 1.00 24.01 C ATOM 107 O ALA A 24 53.271 4.284 35.104 1.00 24.32 O ATOM 108 CB ALA A 24 55.265 6.386 34.346 1.00 22.81 C ATOM 0 H ALA A 24 55.970 5.564 36.645 1.00 22.35 H new ATOM 0 HA ALA A 24 54.160 7.212 35.908 1.00 21.66 H new ATOM 0 HB1 ALA A 24 54.738 6.761 33.624 1.00 22.81 H new ATOM 0 HB2 ALA A 24 56.041 6.946 34.504 1.00 22.81 H new ATOM 0 HB3 ALA A 24 55.556 5.493 34.104 1.00 22.81 H new ATOM 114 N ASN A 25 52.175 6.241 35.161 1.00 24.37 N ATOM 115 CA ASN A 25 50.834 5.769 34.821 1.00 23.18 C ATOM 116 C ASN A 25 50.345 4.573 35.657 1.00 22.63 C ATOM 117 O ASN A 25 49.681 3.710 35.102 1.00 22.79 O ATOM 118 CB ASN A 25 50.836 5.441 33.309 1.00 23.47 C ATOM 119 CG ASN A 25 51.470 6.579 32.484 1.00 24.10 C ATOM 120 OD1 ASN A 25 52.490 6.422 31.838 1.00 26.74 O ATOM 121 ND2 ASN A 25 50.948 7.773 32.448 1.00 24.92 N ATOM 0 H ASN A 25 52.209 7.091 35.285 1.00 24.37 H new ATOM 0 HA ASN A 25 50.200 6.472 35.033 1.00 23.18 H new ATOM 0 HB2 ASN A 25 51.326 4.618 33.156 1.00 23.47 H new ATOM 0 HB3 ASN A 25 49.926 5.290 33.008 1.00 23.47 H new ATOM 0 HD21 ASN A 25 51.325 8.393 31.986 1.00 24.92 H new ATOM 0 HD22 ASN A 25 50.227 7.940 32.886 1.00 24.92 H new ATOM 128 N THR A 26 50.662 4.540 36.943 1.00 22.45 N ATOM 129 CA THR A 26 50.166 3.387 37.775 1.00 22.01 C ATOM 130 C THR A 26 48.826 3.799 38.455 1.00 20.67 C ATOM 131 O THR A 26 48.235 3.003 39.174 1.00 21.37 O ATOM 132 CB THR A 26 51.167 3.038 38.880 1.00 21.69 C ATOM 133 OG1 THR A 26 51.519 4.297 39.448 1.00 23.54 O ATOM 134 CG2 THR A 26 52.425 2.437 38.230 1.00 24.05 C ATOM 0 H THR A 26 51.134 5.127 37.357 1.00 22.45 H new ATOM 0 HA THR A 26 50.048 2.619 37.195 1.00 22.01 H new ATOM 0 HB THR A 26 50.810 2.411 39.528 1.00 21.69 H new ATOM 0 HG1 THR A 26 52.157 4.631 39.015 1.00 23.54 H new ATOM 0 HG21 THR A 26 53.069 2.211 38.919 1.00 24.05 H new ATOM 0 HG22 THR A 26 52.184 1.637 37.738 1.00 24.05 H new ATOM 0 HG23 THR A 26 52.816 3.084 37.623 1.00 24.05 H new ATOM 142 N VAL A 27 48.407 5.020 38.201 1.00 19.09 N ATOM 143 CA VAL A 27 47.152 5.607 38.744 1.00 17.35 C ATOM 144 C VAL A 27 46.488 6.211 37.501 1.00 16.47 C ATOM 145 O VAL A 27 46.411 7.414 37.345 1.00 16.02 O ATOM 146 CB VAL A 27 47.459 6.709 39.772 1.00 18.33 C ATOM 147 CG1 VAL A 27 46.155 7.121 40.480 1.00 17.32 C ATOM 148 CG2 VAL A 27 48.437 6.152 40.803 1.00 19.75 C ATOM 0 H VAL A 27 48.842 5.563 37.696 1.00 19.09 H new ATOM 0 HA VAL A 27 46.598 4.957 39.204 1.00 17.35 H new ATOM 0 HB VAL A 27 47.844 7.481 39.329 1.00 18.33 H new ATOM 0 HG11 VAL A 27 46.345 7.816 41.129 1.00 17.32 H new ATOM 0 HG12 VAL A 27 45.522 7.455 39.825 1.00 17.32 H new ATOM 0 HG13 VAL A 27 45.775 6.352 40.932 1.00 17.32 H new ATOM 0 HG21 VAL A 27 48.641 6.837 41.459 1.00 19.75 H new ATOM 0 HG22 VAL A 27 48.039 5.387 41.247 1.00 19.75 H new ATOM 0 HG23 VAL A 27 49.254 5.877 40.359 1.00 19.75 H new ATOM 158 N PRO A 28 46.012 5.398 36.609 1.00 16.42 N ATOM 159 CA PRO A 28 45.572 5.855 35.270 1.00 16.72 C ATOM 160 C PRO A 28 44.310 6.767 35.262 1.00 14.63 C ATOM 161 O PRO A 28 44.024 7.370 34.247 1.00 14.36 O ATOM 162 CB PRO A 28 45.410 4.535 34.507 1.00 17.46 C ATOM 163 CG PRO A 28 44.905 3.582 35.611 1.00 17.33 C ATOM 164 CD PRO A 28 45.845 3.929 36.780 1.00 18.76 C ATOM 0 HA PRO A 28 46.211 6.457 34.857 1.00 16.72 H new ATOM 0 HB2 PRO A 28 44.775 4.613 33.778 1.00 17.46 H new ATOM 0 HB3 PRO A 28 46.248 4.233 34.123 1.00 17.46 H new ATOM 0 HG2 PRO A 28 43.974 3.742 35.832 1.00 17.33 H new ATOM 0 HG3 PRO A 28 44.978 2.651 35.349 1.00 17.33 H new ATOM 0 HD2 PRO A 28 45.455 3.705 37.639 1.00 18.76 H new ATOM 0 HD3 PRO A 28 46.690 3.457 36.720 1.00 18.76 H new ATOM 172 N TYR A 29 43.606 6.817 36.372 1.00 14.57 N ATOM 173 CA TYR A 29 42.372 7.667 36.494 1.00 15.00 C ATOM 174 C TYR A 29 42.727 9.042 37.069 1.00 14.28 C ATOM 175 O TYR A 29 41.855 9.878 37.162 1.00 14.48 O ATOM 176 CB TYR A 29 41.302 6.966 37.425 1.00 14.88 C ATOM 177 CG TYR A 29 41.942 6.552 38.755 1.00 14.00 C ATOM 178 CD1 TYR A 29 42.140 7.464 39.784 1.00 14.50 C ATOM 179 CD2 TYR A 29 42.380 5.255 38.933 1.00 13.36 C ATOM 180 CE1 TYR A 29 42.766 7.063 40.952 1.00 15.62 C ATOM 181 CE2 TYR A 29 43.003 4.868 40.092 1.00 14.36 C ATOM 182 CZ TYR A 29 43.206 5.765 41.124 1.00 15.03 C ATOM 183 OH TYR A 29 43.834 5.421 42.312 1.00 16.95 O ATOM 0 H TYR A 29 43.803 6.376 37.083 1.00 14.57 H new ATOM 0 HA TYR A 29 41.994 7.778 35.608 1.00 15.00 H new ATOM 0 HB2 TYR A 29 40.562 7.571 37.590 1.00 14.88 H new ATOM 0 HB3 TYR A 29 40.937 6.186 36.978 1.00 14.88 H new ATOM 0 HD1 TYR A 29 41.852 8.343 39.688 1.00 14.50 H new ATOM 0 HD2 TYR A 29 42.250 4.632 38.255 1.00 13.36 H new ATOM 0 HE1 TYR A 29 42.893 7.681 41.635 1.00 15.62 H new ATOM 0 HE2 TYR A 29 43.293 3.989 40.185 1.00 14.36 H new ATOM 0 HH TYR A 29 44.050 4.610 42.290 1.00 16.95 H new ATOM 193 N GLN A 30 43.967 9.243 37.418 1.00 14.28 N ATOM 194 CA GLN A 30 44.404 10.558 37.998 1.00 15.54 C ATOM 195 C GLN A 30 44.543 11.579 36.846 1.00 16.27 C ATOM 196 O GLN A 30 45.125 11.287 35.806 1.00 16.11 O ATOM 197 CB GLN A 30 45.780 10.377 38.723 1.00 16.52 C ATOM 198 CG GLN A 30 46.478 11.737 39.113 1.00 16.18 C ATOM 199 CD GLN A 30 45.989 12.258 40.422 1.00 16.99 C ATOM 200 OE1 GLN A 30 45.632 13.413 40.573 1.00 19.02 O ATOM 201 NE2 GLN A 30 45.964 11.432 41.407 1.00 15.77 N ATOM 0 H GLN A 30 44.593 8.658 37.342 1.00 14.28 H new ATOM 0 HA GLN A 30 43.752 10.876 38.641 1.00 15.54 H new ATOM 0 HB2 GLN A 30 45.646 9.850 39.526 1.00 16.52 H new ATOM 0 HB3 GLN A 30 46.375 9.871 38.148 1.00 16.52 H new ATOM 0 HG2 GLN A 30 47.438 11.607 39.156 1.00 16.18 H new ATOM 0 HG3 GLN A 30 46.312 12.396 38.421 1.00 16.18 H new ATOM 0 HE21 GLN A 30 46.218 10.618 41.292 1.00 15.77 H new ATOM 0 HE22 GLN A 30 45.694 11.693 42.180 1.00 15.77 H new ATOM 210 N VAL A 31 43.971 12.787 37.129 1.00 12.80 N ATOM 211 CA VAL A 31 44.030 13.883 36.139 1.00 15.14 C ATOM 212 C VAL A 31 44.726 15.119 36.796 1.00 14.63 C ATOM 213 O VAL A 31 44.746 15.265 37.994 1.00 14.97 O ATOM 214 CB AVAL A 31 42.549 14.127 35.834 0.31 15.46 C ATOM 215 CB BVAL A 31 42.601 14.367 35.569 0.78 16.64 C ATOM 216 CG1AVAL A 31 42.288 15.209 34.854 0.31 14.93 C ATOM 217 CG1BVAL A 31 41.659 13.184 35.189 0.78 21.29 C ATOM 218 CG2AVAL A 31 41.744 12.828 35.477 0.31 17.28 C ATOM 219 CG2BVAL A 31 41.851 15.388 36.391 0.78 15.87 C ATOM 0 H VAL A 31 43.562 12.977 37.861 1.00 12.80 H new ATOM 0 HA VAL A 31 44.537 13.695 35.334 1.00 15.14 H new ATOM 0 HB AVAL A 31 42.206 14.445 36.684 0.31 16.64 H new ATOM 0 HB BVAL A 31 42.865 14.838 34.764 0.78 16.64 H new ATOM 0 HG11AVAL A 31 41.332 15.299 34.718 0.31 21.29 H new ATOM 0 HG11BVAL A 31 40.819 13.534 34.854 0.78 21.29 H new ATOM 0 HG12AVAL A 31 42.646 16.045 35.192 0.31 21.29 H new ATOM 0 HG12BVAL A 31 42.080 12.643 34.503 0.78 21.29 H new ATOM 0 HG13AVAL A 31 42.715 14.992 34.011 0.31 21.29 H new ATOM 0 HG13BVAL A 31 41.492 12.638 35.973 0.78 21.29 H new ATOM 0 HG21AVAL A 31 40.819 13.059 35.297 0.31 15.87 H new ATOM 0 HG21BVAL A 31 41.012 15.602 35.954 0.78 15.87 H new ATOM 0 HG22AVAL A 31 42.132 12.413 34.691 0.31 15.87 H new ATOM 0 HG22BVAL A 31 41.673 15.026 37.273 0.78 15.87 H new ATOM 0 HG23AVAL A 31 41.783 12.208 36.222 0.31 15.87 H new ATOM 0 HG23BVAL A 31 42.386 16.193 36.475 0.78 15.87 H new ATOM 236 N SER A 32 45.275 15.955 35.992 1.00 13.20 N ATOM 237 CA SER A 32 45.972 17.198 36.442 1.00 13.53 C ATOM 238 C SER A 32 45.078 18.305 35.776 1.00 12.94 C ATOM 239 O SER A 32 44.816 18.220 34.580 1.00 11.98 O ATOM 240 CB SER A 32 47.391 17.379 35.851 1.00 12.88 C ATOM 241 OG SER A 32 47.774 18.728 36.104 1.00 12.25 O ATOM 0 H SER A 32 45.276 15.851 35.138 1.00 13.20 H new ATOM 0 HA SER A 32 46.075 17.207 37.406 1.00 13.53 H new ATOM 0 HB2 SER A 32 48.016 16.761 36.262 1.00 12.88 H new ATOM 0 HB3 SER A 32 47.393 17.194 34.899 1.00 12.88 H new ATOM 0 HG SER A 32 47.821 18.855 36.933 1.00 12.25 H new ATOM 247 N LEU A 33 44.667 19.284 36.534 1.00 11.60 N ATOM 248 CA LEU A 33 43.828 20.393 35.997 1.00 11.81 C ATOM 249 C LEU A 33 44.915 21.460 35.776 1.00 13.58 C ATOM 250 O LEU A 33 45.704 21.787 36.646 1.00 14.63 O ATOM 251 CB LEU A 33 42.834 20.901 37.002 1.00 13.42 C ATOM 252 CG LEU A 33 41.851 19.781 37.460 1.00 13.95 C ATOM 253 CD1 LEU A 33 40.781 20.398 38.396 1.00 16.02 C ATOM 254 CD2 LEU A 33 41.181 19.061 36.277 1.00 16.25 C ATOM 0 H LEU A 33 44.849 19.351 37.372 1.00 11.60 H new ATOM 0 HA LEU A 33 43.298 20.142 35.224 1.00 11.81 H new ATOM 0 HB2 LEU A 33 43.305 21.253 37.773 1.00 13.42 H new ATOM 0 HB3 LEU A 33 42.331 21.635 36.617 1.00 13.42 H new ATOM 0 HG LEU A 33 42.364 19.109 37.935 1.00 13.95 H new ATOM 0 HD11 LEU A 33 40.166 19.706 38.685 1.00 16.02 H new ATOM 0 HD12 LEU A 33 41.215 20.788 39.171 1.00 16.02 H new ATOM 0 HD13 LEU A 33 40.292 21.086 37.919 1.00 16.02 H new ATOM 0 HD21 LEU A 33 40.581 18.376 36.612 1.00 16.25 H new ATOM 0 HD22 LEU A 33 40.677 19.702 35.751 1.00 16.25 H new ATOM 0 HD23 LEU A 33 41.861 18.650 35.721 1.00 16.25 H new ATOM 266 N ASN A 34 44.908 21.987 34.599 1.00 15.26 N ATOM 267 CA ASN A 34 45.917 23.013 34.216 1.00 14.21 C ATOM 268 C ASN A 34 45.328 24.320 33.699 1.00 14.63 C ATOM 269 O ASN A 34 44.421 24.269 32.894 1.00 13.82 O ATOM 270 CB ASN A 34 46.817 22.348 33.134 1.00 14.36 C ATOM 271 CG ASN A 34 47.990 23.196 32.630 1.00 15.00 C ATOM 272 OD1 ASN A 34 47.828 24.212 31.991 1.00 14.97 O ATOM 273 ND2 ASN A 34 49.196 22.817 32.896 1.00 14.20 N ATOM 0 H ASN A 34 44.343 21.789 33.982 1.00 15.26 H new ATOM 0 HA ASN A 34 46.412 23.276 35.008 1.00 14.21 H new ATOM 0 HB2 ASN A 34 47.170 21.520 33.495 1.00 14.36 H new ATOM 0 HB3 ASN A 34 46.261 22.112 32.375 1.00 14.36 H new ATOM 0 HD21 ASN A 34 49.864 23.283 32.621 1.00 14.20 H new ATOM 0 HD22 ASN A 34 49.331 22.098 33.349 1.00 14.20 H new ATOM 280 N SER A 37 45.819 25.429 34.182 1.00 14.39 N ATOM 281 CA SER A 37 45.301 26.720 33.681 1.00 16.74 C ATOM 282 C SER A 37 46.627 27.488 33.376 1.00 16.79 C ATOM 283 O SER A 37 46.771 28.626 33.775 1.00 19.11 O ATOM 284 CB SER A 37 44.428 27.385 34.801 1.00 18.70 C ATOM 285 OG SER A 37 45.222 27.401 35.978 1.00 22.70 O ATOM 0 H SER A 37 46.433 25.481 34.782 1.00 14.39 H new ATOM 0 HA SER A 37 44.720 26.682 32.905 1.00 16.74 H new ATOM 0 HB2 SER A 37 44.169 28.285 34.548 1.00 18.70 H new ATOM 0 HB3 SER A 37 43.610 26.884 34.944 1.00 18.70 H new ATOM 0 HG SER A 37 45.156 26.662 36.371 1.00 22.70 H new ATOM 291 N GLY A 38 47.574 26.882 32.695 1.00 15.57 N ATOM 292 CA GLY A 38 48.864 27.572 32.387 1.00 15.11 C ATOM 293 C GLY A 38 49.963 26.909 33.237 1.00 15.14 C ATOM 294 O GLY A 38 51.147 27.073 32.983 1.00 15.70 O ATOM 0 H GLY A 38 47.515 26.079 32.393 1.00 15.57 H new ATOM 0 HA2 GLY A 38 49.073 27.498 31.443 1.00 15.11 H new ATOM 0 HA3 GLY A 38 48.801 28.518 32.590 1.00 15.11 H new ATOM 298 N TYR A 39 49.495 26.192 34.234 1.00 14.70 N ATOM 299 CA TYR A 39 50.295 25.431 35.231 1.00 15.35 C ATOM 300 C TYR A 39 49.298 24.480 35.945 1.00 15.53 C ATOM 301 O TYR A 39 48.094 24.666 35.908 1.00 13.23 O ATOM 302 CB TYR A 39 50.935 26.384 36.292 1.00 14.62 C ATOM 303 CG TYR A 39 49.860 27.360 36.765 1.00 15.10 C ATOM 304 CD1 TYR A 39 49.647 28.553 36.108 1.00 16.15 C ATOM 305 CD2 TYR A 39 49.059 27.023 37.827 1.00 17.69 C ATOM 306 CE1 TYR A 39 48.650 29.378 36.490 1.00 18.71 C ATOM 307 CE2 TYR A 39 48.053 27.865 38.217 1.00 18.46 C ATOM 308 CZ TYR A 39 47.855 29.038 37.540 1.00 19.49 C ATOM 309 OH TYR A 39 46.829 29.858 37.923 1.00 24.55 O ATOM 0 H TYR A 39 48.650 26.118 34.374 1.00 14.70 H new ATOM 0 HA TYR A 39 51.017 24.955 34.792 1.00 15.35 H new ATOM 0 HB2 TYR A 39 51.281 25.873 37.040 1.00 14.62 H new ATOM 0 HB3 TYR A 39 51.684 26.866 35.907 1.00 14.62 H new ATOM 0 HD1 TYR A 39 50.195 28.791 35.395 1.00 16.15 H new ATOM 0 HD2 TYR A 39 49.200 26.224 38.281 1.00 17.69 H new ATOM 0 HE1 TYR A 39 48.507 30.177 36.036 1.00 18.71 H new ATOM 0 HE2 TYR A 39 47.508 27.642 38.937 1.00 18.46 H new ATOM 0 HH TYR A 39 46.539 30.275 37.254 1.00 24.55 H new ATOM 319 N HIS A 40 49.848 23.501 36.606 1.00 14.95 N ATOM 320 CA HIS A 40 49.030 22.505 37.335 1.00 14.28 C ATOM 321 C HIS A 40 48.538 23.189 38.639 1.00 14.40 C ATOM 322 O HIS A 40 49.329 23.794 39.346 1.00 12.67 O ATOM 323 CB HIS A 40 49.926 21.273 37.662 1.00 15.25 C ATOM 324 CG HIS A 40 49.264 20.451 38.808 1.00 17.45 C ATOM 325 ND1 HIS A 40 48.414 19.494 38.651 1.00 17.92 N ATOM 326 CD2 HIS A 40 49.397 20.555 40.194 1.00 15.48 C ATOM 327 CE1 HIS A 40 48.047 19.039 39.806 1.00 16.46 C ATOM 328 NE2 HIS A 40 48.627 19.666 40.790 1.00 17.42 N ATOM 0 H HIS A 40 50.697 23.374 36.660 1.00 14.95 H new ATOM 0 HA HIS A 40 48.271 22.203 36.813 1.00 14.28 H new ATOM 0 HB2 HIS A 40 50.035 20.719 36.873 1.00 15.25 H new ATOM 0 HB3 HIS A 40 50.812 21.565 37.928 1.00 15.25 H new ATOM 0 HD2 HIS A 40 49.948 21.162 40.633 1.00 15.48 H new ATOM 0 HE1 HIS A 40 47.439 18.344 39.920 1.00 16.46 H new ATOM 0 HE2 HIS A 40 48.530 19.531 41.634 1.00 17.42 H new ATOM 337 N PHE A 41 47.263 23.109 38.938 1.00 14.19 N ATOM 338 CA PHE A 41 46.801 23.753 40.198 1.00 14.63 C ATOM 339 C PHE A 41 45.916 22.811 41.024 1.00 14.53 C ATOM 340 O PHE A 41 45.646 23.114 42.174 1.00 16.27 O ATOM 341 CB PHE A 41 46.051 25.090 39.844 1.00 17.06 C ATOM 342 CG PHE A 41 44.744 24.868 39.092 1.00 16.87 C ATOM 343 CD1 PHE A 41 43.576 24.660 39.806 1.00 17.22 C ATOM 344 CD2 PHE A 41 44.728 24.849 37.706 1.00 17.60 C ATOM 345 CE1 PHE A 41 42.401 24.438 39.156 1.00 18.21 C ATOM 346 CE2 PHE A 41 43.539 24.621 37.049 1.00 18.65 C ATOM 347 CZ PHE A 41 42.371 24.417 37.782 1.00 19.80 C ATOM 0 H PHE A 41 46.659 22.715 38.470 1.00 14.19 H new ATOM 0 HA PHE A 41 47.572 23.957 40.751 1.00 14.63 H new ATOM 0 HB2 PHE A 41 45.867 25.577 40.663 1.00 17.06 H new ATOM 0 HB3 PHE A 41 46.635 25.648 39.307 1.00 17.06 H new ATOM 0 HD1 PHE A 41 43.595 24.672 40.736 1.00 17.22 H new ATOM 0 HD2 PHE A 41 45.512 24.989 37.225 1.00 17.60 H new ATOM 0 HE1 PHE A 41 41.619 24.301 39.641 1.00 18.21 H new ATOM 0 HE2 PHE A 41 43.516 24.603 36.119 1.00 18.65 H new ATOM 0 HZ PHE A 41 41.567 24.266 37.339 1.00 19.80 H new ATOM 357 N CYS A 42 45.485 21.705 40.478 1.00 14.27 N ATOM 358 CA CYS A 42 44.613 20.739 41.242 1.00 13.19 C ATOM 359 C CYS A 42 44.595 19.406 40.514 1.00 13.24 C ATOM 360 O CYS A 42 44.971 19.352 39.357 1.00 12.80 O ATOM 361 CB CYS A 42 43.146 21.234 41.348 1.00 12.78 C ATOM 362 SG CYS A 42 42.760 22.386 42.700 1.00 14.89 S ATOM 0 H CYS A 42 45.665 21.463 39.672 1.00 14.27 H new ATOM 0 HA CYS A 42 44.982 20.660 42.135 1.00 13.19 H new ATOM 0 HB2 CYS A 42 42.911 21.663 40.510 1.00 12.78 H new ATOM 0 HB3 CYS A 42 42.572 20.458 41.440 1.00 12.78 H new ATOM 367 N GLY A 43 44.135 18.405 41.201 1.00 12.02 N ATOM 368 CA GLY A 43 44.051 17.029 40.643 1.00 12.17 C ATOM 369 C GLY A 43 42.551 16.796 40.419 1.00 13.06 C ATOM 370 O GLY A 43 41.735 17.665 40.679 1.00 12.57 O ATOM 0 H GLY A 43 43.854 18.473 42.011 1.00 12.02 H new ATOM 0 HA2 GLY A 43 44.548 16.953 39.813 1.00 12.17 H new ATOM 0 HA3 GLY A 43 44.422 16.376 41.257 1.00 12.17 H new ATOM 374 N GLY A 44 42.237 15.626 39.940 1.00 13.47 N ATOM 375 CA GLY A 44 40.835 15.255 39.677 1.00 13.22 C ATOM 376 C GLY A 44 40.852 13.740 39.335 1.00 12.99 C ATOM 377 O GLY A 44 41.930 13.153 39.273 1.00 13.60 O ATOM 0 H GLY A 44 42.810 15.013 39.752 1.00 13.47 H new ATOM 0 HA2 GLY A 44 40.278 15.430 40.452 1.00 13.22 H new ATOM 0 HA3 GLY A 44 40.470 15.773 38.942 1.00 13.22 H new ATOM 381 N SER A 45 39.687 13.180 39.139 1.00 12.08 N ATOM 382 CA SER A 45 39.553 11.746 38.793 1.00 13.87 C ATOM 383 C SER A 45 38.687 11.575 37.540 1.00 13.92 C ATOM 384 O SER A 45 37.681 12.247 37.428 1.00 12.34 O ATOM 385 CB SER A 45 38.841 10.959 39.901 1.00 14.61 C ATOM 386 OG SER A 45 39.721 10.895 41.004 1.00 19.77 O ATOM 0 H SER A 45 38.939 13.600 39.197 1.00 12.08 H new ATOM 0 HA SER A 45 40.455 11.416 38.660 1.00 13.87 H new ATOM 0 HB2 SER A 45 38.011 11.395 40.151 1.00 14.61 H new ATOM 0 HB3 SER A 45 38.612 10.068 39.594 1.00 14.61 H new ATOM 0 HG SER A 45 39.522 11.495 41.557 1.00 19.77 H new ATOM 392 N LEU A 46 39.070 10.677 36.659 1.00 13.57 N ATOM 393 CA LEU A 46 38.269 10.455 35.421 1.00 14.52 C ATOM 394 C LEU A 46 37.194 9.413 35.809 1.00 14.59 C ATOM 395 O LEU A 46 37.569 8.347 36.275 1.00 14.02 O ATOM 396 CB LEU A 46 39.214 9.920 34.325 1.00 15.27 C ATOM 397 CG LEU A 46 38.489 9.789 32.969 1.00 15.99 C ATOM 398 CD1 LEU A 46 38.182 11.177 32.396 1.00 14.64 C ATOM 399 CD2 LEU A 46 39.398 8.985 32.042 1.00 17.82 C ATOM 0 H LEU A 46 39.771 10.184 36.734 1.00 13.57 H new ATOM 0 HA LEU A 46 37.849 11.260 35.079 1.00 14.52 H new ATOM 0 HB2 LEU A 46 39.973 10.516 34.231 1.00 15.27 H new ATOM 0 HB3 LEU A 46 39.564 9.055 34.591 1.00 15.27 H new ATOM 0 HG LEU A 46 37.639 9.333 33.069 1.00 15.99 H new ATOM 0 HD11 LEU A 46 37.727 11.082 31.545 1.00 14.64 H new ATOM 0 HD12 LEU A 46 37.614 11.664 33.013 1.00 14.64 H new ATOM 0 HD13 LEU A 46 39.011 11.664 32.267 1.00 14.64 H new ATOM 0 HD21 LEU A 46 38.970 8.884 31.177 1.00 17.82 H new ATOM 0 HD22 LEU A 46 40.242 9.450 31.932 1.00 17.82 H new ATOM 0 HD23 LEU A 46 39.560 8.109 32.427 1.00 17.82 H new ATOM 411 N ILE A 47 35.937 9.727 35.613 1.00 15.21 N ATOM 412 CA ILE A 47 34.853 8.737 35.972 1.00 17.66 C ATOM 413 C ILE A 47 34.249 8.071 34.741 1.00 16.34 C ATOM 414 O ILE A 47 33.525 7.110 34.879 1.00 18.54 O ATOM 415 CB ILE A 47 33.782 9.462 36.874 1.00 20.18 C ATOM 416 CG1 ILE A 47 33.241 10.757 36.281 1.00 21.32 C ATOM 417 CG2 ILE A 47 34.522 9.772 38.240 1.00 21.10 C ATOM 418 CD1 ILE A 47 32.013 11.207 37.080 1.00 22.89 C ATOM 0 H ILE A 47 35.661 10.473 35.286 1.00 15.21 H new ATOM 0 HA ILE A 47 35.239 8.007 36.481 1.00 17.66 H new ATOM 0 HB ILE A 47 33.006 8.888 36.971 1.00 20.18 H new ATOM 0 HG12 ILE A 47 33.924 11.445 36.303 1.00 21.32 H new ATOM 0 HG13 ILE A 47 33.003 10.624 35.350 1.00 21.32 H new ATOM 0 HG21 ILE A 47 33.911 10.222 38.844 1.00 21.10 H new ATOM 0 HG22 ILE A 47 34.821 8.941 38.642 1.00 21.10 H new ATOM 0 HG23 ILE A 47 35.288 10.343 38.071 1.00 21.10 H new ATOM 0 HD11 ILE A 47 31.667 12.032 36.704 1.00 22.89 H new ATOM 0 HD12 ILE A 47 31.329 10.520 37.037 1.00 22.89 H new ATOM 0 HD13 ILE A 47 32.265 11.354 38.005 1.00 22.89 H new ATOM 430 N ASN A 48 34.513 8.585 33.572 1.00 16.41 N ATOM 431 CA ASN A 48 34.016 7.968 32.285 1.00 16.25 C ATOM 432 C ASN A 48 34.729 8.802 31.211 1.00 17.01 C ATOM 433 O ASN A 48 35.296 9.832 31.542 1.00 16.61 O ATOM 434 CB ASN A 48 32.437 7.962 32.104 1.00 15.50 C ATOM 435 CG ASN A 48 31.726 9.235 31.847 1.00 15.85 C ATOM 436 OD1 ASN A 48 30.604 9.361 32.274 1.00 21.38 O ATOM 437 ND2 ASN A 48 32.246 10.190 31.185 1.00 13.23 N ATOM 0 H ASN A 48 34.980 9.298 33.461 1.00 16.41 H new ATOM 0 HA ASN A 48 34.216 7.020 32.247 1.00 16.25 H new ATOM 0 HB2 ASN A 48 32.231 7.361 31.371 1.00 15.50 H new ATOM 0 HB3 ASN A 48 32.054 7.572 32.906 1.00 15.50 H new ATOM 0 HD21 ASN A 48 31.799 10.912 31.048 1.00 13.23 H new ATOM 0 HD22 ASN A 48 33.045 10.114 30.875 1.00 13.23 H new ATOM 444 N SER A 49 34.692 8.404 29.973 1.00 17.55 N ATOM 445 CA SER A 49 35.417 9.174 28.935 1.00 19.04 C ATOM 446 C SER A 49 35.153 10.660 28.771 1.00 19.32 C ATOM 447 O SER A 49 36.007 11.355 28.263 1.00 19.36 O ATOM 448 CB SER A 49 35.202 8.445 27.576 1.00 21.27 C ATOM 449 OG SER A 49 33.891 8.818 27.170 1.00 24.26 O ATOM 0 H SER A 49 34.270 7.710 29.690 1.00 17.55 H new ATOM 0 HA SER A 49 36.333 9.184 29.255 1.00 19.04 H new ATOM 0 HB2 SER A 49 35.864 8.717 26.922 1.00 21.27 H new ATOM 0 HB3 SER A 49 35.280 7.483 27.676 1.00 21.27 H new ATOM 0 HG SER A 49 33.335 8.270 27.480 1.00 24.26 H new ATOM 455 N GLN A 50 34.006 11.131 29.168 1.00 19.15 N ATOM 456 CA GLN A 50 33.707 12.581 29.035 1.00 18.54 C ATOM 457 C GLN A 50 33.620 13.360 30.365 1.00 16.00 C ATOM 458 O GLN A 50 33.427 14.555 30.276 1.00 14.48 O ATOM 459 CB GLN A 50 32.368 12.736 28.338 1.00 20.95 C ATOM 460 CG GLN A 50 32.358 12.011 26.989 1.00 25.91 C ATOM 461 CD GLN A 50 30.962 12.230 26.396 1.00 29.90 C ATOM 462 OE1 GLN A 50 30.107 11.381 26.440 1.00 36.57 O ATOM 463 NE2 GLN A 50 30.663 13.351 25.842 1.00 31.84 N ATOM 0 H GLN A 50 33.377 10.659 29.516 1.00 19.15 H new ATOM 0 HA GLN A 50 34.452 12.954 28.538 1.00 18.54 H new ATOM 0 HB2 GLN A 50 31.664 12.382 28.903 1.00 20.95 H new ATOM 0 HB3 GLN A 50 32.178 13.678 28.203 1.00 20.95 H new ATOM 0 HG2 GLN A 50 33.044 12.364 26.401 1.00 25.91 H new ATOM 0 HG3 GLN A 50 32.542 11.065 27.103 1.00 25.91 H new ATOM 0 HE21 GLN A 50 31.250 13.977 25.794 1.00 31.84 H new ATOM 0 HE22 GLN A 50 29.876 13.474 25.519 1.00 31.84 H new ATOM 472 N TRP A 51 33.768 12.716 31.497 1.00 14.17 N ATOM 473 CA TRP A 51 33.647 13.452 32.776 1.00 14.04 C ATOM 474 C TRP A 51 34.719 13.207 33.827 1.00 13.47 C ATOM 475 O TRP A 51 35.220 12.100 33.974 1.00 14.43 O ATOM 476 CB TRP A 51 32.253 13.097 33.397 1.00 13.47 C ATOM 477 CG TRP A 51 31.012 13.642 32.634 1.00 14.72 C ATOM 478 CD1 TRP A 51 30.344 12.997 31.622 1.00 13.44 C ATOM 479 CD2 TRP A 51 30.377 14.862 32.855 1.00 15.39 C ATOM 480 NE1 TRP A 51 29.383 13.830 31.290 1.00 12.15 N ATOM 481 CE2 TRP A 51 29.309 14.968 31.951 1.00 14.60 C ATOM 482 CE3 TRP A 51 30.596 15.932 33.739 1.00 12.57 C ATOM 483 CZ2 TRP A 51 28.493 16.099 31.936 1.00 15.52 C ATOM 484 CZ3 TRP A 51 29.783 17.059 33.712 1.00 15.10 C ATOM 485 CH2 TRP A 51 28.731 17.137 32.810 1.00 15.59 C ATOM 0 H TRP A 51 33.935 11.875 31.569 1.00 14.17 H new ATOM 0 HA TRP A 51 33.756 14.387 32.540 1.00 14.04 H new ATOM 0 HB2 TRP A 51 32.179 12.131 33.452 1.00 13.47 H new ATOM 0 HB3 TRP A 51 32.227 13.436 34.306 1.00 13.47 H new ATOM 0 HD1 TRP A 51 30.529 12.162 31.256 1.00 13.44 H new ATOM 0 HE1 TRP A 51 28.824 13.640 30.665 1.00 12.15 H new ATOM 0 HE3 TRP A 51 31.295 15.885 34.351 1.00 12.57 H new ATOM 0 HZ2 TRP A 51 27.786 16.153 31.334 1.00 15.52 H new ATOM 0 HZ3 TRP A 51 29.944 17.762 34.299 1.00 15.10 H new ATOM 0 HH2 TRP A 51 28.186 17.891 32.796 1.00 15.59 H new ATOM 496 N VAL A 52 34.997 14.288 34.517 1.00 13.63 N ATOM 497 CA VAL A 52 35.992 14.345 35.625 1.00 14.15 C ATOM 498 C VAL A 52 35.346 14.903 36.919 1.00 12.01 C ATOM 499 O VAL A 52 34.520 15.794 36.880 1.00 13.18 O ATOM 500 CB VAL A 52 37.215 15.288 35.197 1.00 14.01 C ATOM 501 CG1 VAL A 52 38.182 15.562 36.392 1.00 13.96 C ATOM 502 CG2 VAL A 52 38.030 14.598 34.063 1.00 14.89 C ATOM 0 H VAL A 52 34.614 15.043 34.368 1.00 13.63 H new ATOM 0 HA VAL A 52 36.310 13.445 35.799 1.00 14.15 H new ATOM 0 HB VAL A 52 36.841 16.131 34.897 1.00 14.01 H new ATOM 0 HG11 VAL A 52 38.908 16.134 36.097 1.00 13.96 H new ATOM 0 HG12 VAL A 52 37.696 16.000 37.108 1.00 13.96 H new ATOM 0 HG13 VAL A 52 38.544 14.722 36.715 1.00 13.96 H new ATOM 0 HG21 VAL A 52 38.770 15.168 33.803 1.00 14.89 H new ATOM 0 HG22 VAL A 52 38.373 13.748 34.382 1.00 14.89 H new ATOM 0 HG23 VAL A 52 37.455 14.447 33.297 1.00 14.89 H new ATOM 512 N VAL A 53 35.725 14.347 38.059 1.00 12.74 N ATOM 513 CA VAL A 53 35.178 14.839 39.356 1.00 13.92 C ATOM 514 C VAL A 53 36.427 15.428 40.044 1.00 13.84 C ATOM 515 O VAL A 53 37.508 14.852 40.016 1.00 13.70 O ATOM 516 CB AVAL A 53 34.531 13.643 40.162 0.75 15.24 C ATOM 517 CB BVAL A 53 34.612 13.669 40.263 0.19 15.27 C ATOM 518 CG1AVAL A 53 35.496 12.485 40.428 0.75 17.30 C ATOM 519 CG1BVAL A 53 33.395 12.986 39.642 0.19 15.08 C ATOM 520 CG2AVAL A 53 33.982 14.172 41.494 0.75 15.47 C ATOM 521 CG2BVAL A 53 35.655 12.558 40.501 0.19 17.90 C ATOM 0 H VAL A 53 36.284 13.697 38.123 1.00 12.74 H new ATOM 0 HA VAL A 53 34.466 15.493 39.276 1.00 13.92 H new ATOM 0 HB AVAL A 53 33.820 13.284 39.608 0.75 15.27 H new ATOM 0 HB BVAL A 53 34.373 14.103 41.097 0.19 15.27 H new ATOM 0 HG11AVAL A 53 35.037 11.789 40.924 0.75 15.08 H new ATOM 0 HG11BVAL A 53 33.085 12.280 40.230 0.19 15.08 H new ATOM 0 HG12AVAL A 53 35.812 12.126 39.584 0.75 15.08 H new ATOM 0 HG12BVAL A 53 32.687 13.637 39.518 0.19 15.08 H new ATOM 0 HG13AVAL A 53 36.251 12.805 40.945 0.75 15.08 H new ATOM 0 HG13BVAL A 53 33.640 12.607 38.783 0.19 15.08 H new ATOM 0 HG21AVAL A 53 33.584 13.442 41.993 0.75 17.90 H new ATOM 0 HG21BVAL A 53 35.268 11.865 41.059 0.19 17.90 H new ATOM 0 HG22AVAL A 53 34.705 14.560 42.011 0.75 17.90 H new ATOM 0 HG22BVAL A 53 35.922 12.176 39.650 0.19 17.90 H new ATOM 0 HG23AVAL A 53 33.310 14.849 41.321 0.75 17.90 H new ATOM 0 HG23BVAL A 53 36.432 12.933 40.944 0.19 17.90 H new ATOM 538 N SER A 54 36.238 16.556 40.622 1.00 13.26 N ATOM 539 CA SER A 54 37.333 17.235 41.360 1.00 13.40 C ATOM 540 C SER A 54 36.642 17.943 42.574 1.00 12.48 C ATOM 541 O SER A 54 35.502 17.669 42.928 1.00 12.46 O ATOM 542 CB SER A 54 38.008 18.204 40.355 1.00 12.26 C ATOM 543 OG SER A 54 39.113 18.774 41.039 1.00 13.37 O ATOM 0 H SER A 54 35.490 16.980 40.621 1.00 13.26 H new ATOM 0 HA SER A 54 38.029 16.655 41.706 1.00 13.40 H new ATOM 0 HB2 SER A 54 38.299 17.731 39.560 1.00 12.26 H new ATOM 0 HB3 SER A 54 37.387 18.891 40.066 1.00 12.26 H new ATOM 0 HG SER A 54 39.812 18.352 40.843 1.00 13.37 H new ATOM 549 N ALA A 55 37.359 18.837 43.174 1.00 12.55 N ATOM 550 CA ALA A 55 36.830 19.590 44.334 1.00 12.57 C ATOM 551 C ALA A 55 36.310 20.963 43.860 1.00 12.46 C ATOM 552 O ALA A 55 36.862 21.604 42.983 1.00 12.60 O ATOM 553 CB ALA A 55 37.940 19.812 45.341 1.00 11.29 C ATOM 0 H ALA A 55 38.162 19.046 42.947 1.00 12.55 H new ATOM 0 HA ALA A 55 36.109 19.085 44.742 1.00 12.57 H new ATOM 0 HB1 ALA A 55 37.594 20.305 46.101 1.00 11.29 H new ATOM 0 HB2 ALA A 55 38.281 18.955 45.641 1.00 11.29 H new ATOM 0 HB3 ALA A 55 38.656 20.318 44.927 1.00 11.29 H new ATOM 559 N ALA A 56 35.242 21.403 44.476 1.00 13.25 N ATOM 560 CA ALA A 56 34.666 22.727 44.107 1.00 12.34 C ATOM 561 C ALA A 56 35.658 23.858 44.452 1.00 12.45 C ATOM 562 O ALA A 56 35.631 24.898 43.832 1.00 13.82 O ATOM 563 CB ALA A 56 33.406 22.936 44.850 1.00 12.22 C ATOM 0 H ALA A 56 34.825 20.982 45.099 1.00 13.25 H new ATOM 0 HA ALA A 56 34.493 22.741 43.153 1.00 12.34 H new ATOM 0 HB1 ALA A 56 33.029 23.797 44.612 1.00 12.22 H new ATOM 0 HB2 ALA A 56 32.776 22.234 44.624 1.00 12.22 H new ATOM 0 HB3 ALA A 56 33.585 22.914 45.803 1.00 12.22 H new ATOM 569 N HIS A 57 36.528 23.658 45.419 1.00 13.05 N ATOM 570 CA HIS A 57 37.465 24.788 45.730 1.00 12.99 C ATOM 571 C HIS A 57 38.570 24.905 44.696 1.00 13.24 C ATOM 572 O HIS A 57 39.400 25.793 44.773 1.00 14.18 O ATOM 573 CB HIS A 57 38.048 24.627 47.196 1.00 14.43 C ATOM 574 CG HIS A 57 39.105 23.610 47.441 1.00 15.37 C ATOM 575 ND1 HIS A 57 38.904 22.375 47.750 1.00 17.35 N ATOM 576 CD2 HIS A 57 40.465 23.754 47.397 1.00 16.02 C ATOM 577 CE1 HIS A 57 40.015 21.755 47.895 1.00 16.67 C ATOM 578 NE2 HIS A 57 40.988 22.587 47.683 1.00 16.51 N ATOM 0 H HIS A 57 36.613 22.944 45.891 1.00 13.05 H new ATOM 0 HA HIS A 57 36.963 25.617 45.692 1.00 12.99 H new ATOM 0 HB2 HIS A 57 38.401 25.489 47.467 1.00 14.43 H new ATOM 0 HB3 HIS A 57 37.305 24.426 47.787 1.00 14.43 H new ATOM 0 HD1 HIS A 57 38.128 22.016 47.846 1.00 17.35 H new ATOM 0 HD2 HIS A 57 40.931 24.534 47.201 1.00 16.02 H new ATOM 0 HE1 HIS A 57 40.109 20.857 48.116 1.00 16.67 H new ATOM 586 N CYS A 58 38.522 24.014 43.736 1.00 13.00 N ATOM 587 CA CYS A 58 39.500 24.000 42.624 1.00 13.91 C ATOM 588 C CYS A 58 38.812 24.695 41.414 1.00 15.29 C ATOM 589 O CYS A 58 39.348 24.746 40.332 1.00 16.34 O ATOM 590 CB CYS A 58 39.854 22.585 42.210 1.00 14.77 C ATOM 591 SG CYS A 58 40.984 21.757 43.346 1.00 10.90 S ATOM 0 H CYS A 58 37.930 23.392 43.692 1.00 13.00 H new ATOM 0 HA CYS A 58 40.314 24.447 42.905 1.00 13.91 H new ATOM 0 HB2 CYS A 58 39.039 22.064 42.140 1.00 14.77 H new ATOM 0 HB3 CYS A 58 40.254 22.606 41.327 1.00 14.77 H new ATOM 596 N TYR A 59 37.643 25.235 41.600 1.00 16.75 N ATOM 597 CA TYR A 59 36.951 25.908 40.479 1.00 16.56 C ATOM 598 C TYR A 59 37.744 27.135 39.945 1.00 15.06 C ATOM 599 O TYR A 59 38.244 27.955 40.695 1.00 16.56 O ATOM 600 CB TYR A 59 35.546 26.366 40.947 1.00 16.54 C ATOM 601 CG TYR A 59 34.937 27.285 39.872 1.00 18.66 C ATOM 602 CD1 TYR A 59 35.006 28.652 40.061 1.00 19.18 C ATOM 603 CD2 TYR A 59 34.387 26.792 38.679 1.00 20.87 C ATOM 604 CE1 TYR A 59 34.529 29.496 39.100 1.00 19.58 C ATOM 605 CE2 TYR A 59 33.926 27.664 37.700 1.00 20.49 C ATOM 606 CZ TYR A 59 33.995 29.019 37.928 1.00 19.56 C ATOM 607 OH TYR A 59 33.564 29.918 36.985 1.00 23.57 O ATOM 0 H TYR A 59 37.217 25.237 42.347 1.00 16.75 H new ATOM 0 HA TYR A 59 36.879 25.270 39.752 1.00 16.56 H new ATOM 0 HB2 TYR A 59 34.974 25.596 41.094 1.00 16.54 H new ATOM 0 HB3 TYR A 59 35.611 26.836 41.793 1.00 16.54 H new ATOM 0 HD1 TYR A 59 35.377 28.996 40.841 1.00 19.18 H new ATOM 0 HD2 TYR A 59 34.330 25.874 38.542 1.00 20.87 H new ATOM 0 HE1 TYR A 59 34.566 30.414 39.242 1.00 19.58 H new ATOM 0 HE2 TYR A 59 33.576 27.337 36.903 1.00 20.49 H new ATOM 0 HH TYR A 59 33.262 29.503 36.320 1.00 23.57 H new ATOM 617 N LYS A 60 37.799 27.169 38.648 1.00 17.92 N ATOM 618 CA LYS A 60 38.461 28.200 37.797 1.00 21.18 C ATOM 619 C LYS A 60 37.758 28.139 36.460 1.00 21.37 C ATOM 620 O LYS A 60 37.105 27.166 36.127 1.00 22.09 O ATOM 621 CB LYS A 60 39.914 27.920 37.358 1.00 23.66 C ATOM 622 CG LYS A 60 40.846 28.243 38.382 1.00 25.24 C ATOM 623 CD LYS A 60 42.253 28.149 37.765 1.00 27.16 C ATOM 624 CE LYS A 60 43.195 28.499 38.916 1.00 27.99 C ATOM 625 NZ LYS A 60 44.604 28.235 38.603 0.13 29.53 N ATOM 0 H LYS A 60 37.430 26.554 38.173 1.00 17.92 H new ATOM 0 HA LYS A 60 38.432 29.011 38.329 1.00 21.18 H new ATOM 0 HB2 LYS A 60 40.006 26.984 37.121 1.00 23.66 H new ATOM 0 HB3 LYS A 60 40.117 28.436 36.562 1.00 23.66 H new ATOM 0 HG2 LYS A 60 40.682 29.135 38.725 1.00 25.24 H new ATOM 0 HG3 LYS A 60 40.759 27.631 39.130 1.00 25.24 H new ATOM 0 HD2 LYS A 60 42.430 27.259 37.421 1.00 27.16 H new ATOM 0 HD3 LYS A 60 42.356 28.766 37.023 1.00 27.16 H new ATOM 0 HE2 LYS A 60 43.089 29.437 39.141 1.00 27.99 H new ATOM 0 HE3 LYS A 60 42.942 27.989 39.701 1.00 27.99 H new ATOM 0 HZ1 LYS A 60 44.935 27.654 39.191 0.13 29.53 H new ATOM 0 HZ2 LYS A 60 44.668 27.895 37.783 0.13 29.53 H new ATOM 0 HZ3 LYS A 60 45.065 28.995 38.646 0.13 29.53 H new ATOM 639 N SER A 61 37.958 29.196 35.740 1.00 25.60 N ATOM 640 CA SER A 61 37.377 29.324 34.371 1.00 27.73 C ATOM 641 C SER A 61 38.652 29.022 33.504 1.00 26.89 C ATOM 642 O SER A 61 39.741 29.387 33.914 1.00 30.32 O ATOM 643 CB SER A 61 36.890 30.809 34.120 1.00 28.27 C ATOM 644 OG SER A 61 36.061 30.822 32.951 0.05 28.47 O ATOM 0 H SER A 61 38.424 29.872 35.995 1.00 25.60 H new ATOM 0 HA SER A 61 36.610 28.757 34.193 1.00 27.73 H new ATOM 0 HB2 SER A 61 36.396 31.136 34.888 1.00 28.27 H new ATOM 0 HB3 SER A 61 37.651 31.398 34.000 1.00 28.27 H new ATOM 0 HG SER A 61 35.793 31.605 32.806 0.05 28.47 H new ATOM 650 N GLY A 62 38.536 28.371 32.376 1.00 27.20 N ATOM 651 CA GLY A 62 39.764 28.103 31.531 1.00 28.03 C ATOM 652 C GLY A 62 40.590 26.913 31.957 1.00 25.21 C ATOM 653 O GLY A 62 41.800 26.988 31.995 1.00 29.21 O ATOM 0 H GLY A 62 37.797 28.069 32.056 1.00 27.20 H new ATOM 0 HA2 GLY A 62 39.484 27.972 30.612 1.00 28.03 H new ATOM 0 HA3 GLY A 62 40.328 28.892 31.546 1.00 28.03 H new ATOM 657 N ILE A 63 39.939 25.843 32.241 1.00 21.40 N ATOM 658 CA ILE A 63 40.670 24.634 32.663 1.00 19.59 C ATOM 659 C ILE A 63 40.898 23.681 31.492 1.00 18.46 C ATOM 660 O ILE A 63 40.023 23.483 30.672 1.00 16.76 O ATOM 661 CB ILE A 63 39.840 23.889 33.737 1.00 20.94 C ATOM 662 CG1 ILE A 63 39.643 24.778 35.040 1.00 22.77 C ATOM 663 CG2 ILE A 63 40.481 22.516 34.100 1.00 20.68 C ATOM 664 CD1 ILE A 63 38.607 24.131 36.045 1.00 22.93 C ATOM 0 H ILE A 63 39.083 25.763 32.207 1.00 21.40 H new ATOM 0 HA ILE A 63 41.531 24.912 33.014 1.00 19.59 H new ATOM 0 HB ILE A 63 38.964 23.720 33.355 1.00 20.94 H new ATOM 0 HG12 ILE A 63 40.497 24.892 35.485 1.00 22.77 H new ATOM 0 HG13 ILE A 63 39.336 25.662 34.785 1.00 22.77 H new ATOM 0 HG21 ILE A 63 39.940 22.074 34.773 1.00 20.68 H new ATOM 0 HG22 ILE A 63 40.527 21.960 33.306 1.00 20.68 H new ATOM 0 HG23 ILE A 63 41.376 22.658 34.447 1.00 20.68 H new ATOM 0 HD11 ILE A 63 38.514 24.700 36.825 1.00 22.93 H new ATOM 0 HD12 ILE A 63 37.746 24.039 35.608 1.00 22.93 H new ATOM 0 HD13 ILE A 63 38.925 23.257 36.320 1.00 22.93 H new ATOM 676 N GLN A 64 42.073 23.113 31.474 1.00 17.37 N ATOM 677 CA GLN A 64 42.438 22.137 30.438 1.00 16.90 C ATOM 678 C GLN A 64 42.732 20.918 31.374 1.00 17.24 C ATOM 679 O GLN A 64 43.401 21.020 32.398 1.00 15.10 O ATOM 680 CB GLN A 64 43.715 22.477 29.670 1.00 17.42 C ATOM 681 CG GLN A 64 44.009 21.328 28.693 1.00 18.91 C ATOM 682 CD GLN A 64 45.323 21.667 28.003 1.00 19.52 C ATOM 683 OE1 GLN A 64 46.367 21.775 28.603 1.00 19.04 O ATOM 684 NE2 GLN A 64 45.345 21.848 26.735 1.00 22.01 N ATOM 0 H GLN A 64 42.692 23.269 32.051 1.00 17.37 H new ATOM 0 HA GLN A 64 41.767 22.044 29.744 1.00 16.90 H new ATOM 0 HB2 GLN A 64 43.607 23.312 29.188 1.00 17.42 H new ATOM 0 HB3 GLN A 64 44.457 22.597 30.283 1.00 17.42 H new ATOM 0 HG2 GLN A 64 44.076 20.483 29.165 1.00 18.91 H new ATOM 0 HG3 GLN A 64 43.293 21.235 28.045 1.00 18.91 H new ATOM 0 HE21 GLN A 64 44.620 21.779 26.278 1.00 22.01 H new ATOM 0 HE22 GLN A 64 46.085 22.039 26.341 1.00 22.01 H new ATOM 693 N VAL A 65 42.224 19.796 30.969 1.00 16.40 N ATOM 694 CA VAL A 65 42.380 18.540 31.715 1.00 16.57 C ATOM 695 C VAL A 65 43.500 17.795 31.003 1.00 16.37 C ATOM 696 O VAL A 65 43.512 17.679 29.788 1.00 17.31 O ATOM 697 CB VAL A 65 41.035 17.773 31.658 1.00 16.35 C ATOM 698 CG1 VAL A 65 41.174 16.431 32.395 1.00 15.73 C ATOM 699 CG2 VAL A 65 39.888 18.592 32.352 1.00 18.09 C ATOM 0 H VAL A 65 41.768 19.717 30.244 1.00 16.40 H new ATOM 0 HA VAL A 65 42.601 18.660 32.652 1.00 16.57 H new ATOM 0 HB VAL A 65 40.812 17.633 30.724 1.00 16.35 H new ATOM 0 HG11 VAL A 65 40.331 15.953 32.358 1.00 15.73 H new ATOM 0 HG12 VAL A 65 41.866 15.899 31.972 1.00 15.73 H new ATOM 0 HG13 VAL A 65 41.413 16.593 33.321 1.00 15.73 H new ATOM 0 HG21 VAL A 65 39.058 18.092 32.303 1.00 18.09 H new ATOM 0 HG22 VAL A 65 40.118 18.747 33.282 1.00 18.09 H new ATOM 0 HG23 VAL A 65 39.779 19.443 31.900 1.00 18.09 H new ATOM 709 N ARG A 66 44.415 17.324 31.801 1.00 15.62 N ATOM 710 CA ARG A 66 45.569 16.567 31.267 1.00 16.79 C ATOM 711 C ARG A 66 45.526 15.191 31.931 1.00 17.49 C ATOM 712 O ARG A 66 45.632 15.074 33.147 1.00 16.52 O ATOM 713 CB ARG A 66 46.877 17.304 31.608 1.00 16.11 C ATOM 714 CG ARG A 66 46.904 18.658 30.863 1.00 17.34 C ATOM 715 CD ARG A 66 48.260 19.375 31.070 1.00 18.49 C ATOM 716 NE ARG A 66 48.304 20.582 30.211 1.00 17.07 N ATOM 717 CZ ARG A 66 49.384 20.911 29.549 1.00 18.42 C ATOM 718 NH1 ARG A 66 50.545 20.434 29.893 1.00 19.24 N ATOM 719 NH2 ARG A 66 49.275 21.737 28.546 1.00 20.93 N ATOM 0 H ARG A 66 44.409 17.418 32.656 1.00 15.62 H new ATOM 0 HA ARG A 66 45.529 16.482 30.302 1.00 16.79 H new ATOM 0 HB2 ARG A 66 46.940 17.448 32.565 1.00 16.11 H new ATOM 0 HB3 ARG A 66 47.641 16.765 31.351 1.00 16.11 H new ATOM 0 HG2 ARG A 66 46.751 18.514 29.916 1.00 17.34 H new ATOM 0 HG3 ARG A 66 46.183 19.222 31.184 1.00 17.34 H new ATOM 0 HD2 ARG A 66 48.369 19.623 32.001 1.00 18.49 H new ATOM 0 HD3 ARG A 66 48.992 18.778 30.847 1.00 18.49 H new ATOM 0 HE ARG A 66 47.604 21.077 30.146 1.00 17.07 H new ATOM 0 HH11 ARG A 66 50.608 19.897 30.562 1.00 19.24 H new ATOM 0 HH12 ARG A 66 51.249 20.656 29.452 1.00 19.24 H new ATOM 0 HH21 ARG A 66 48.505 22.054 28.332 1.00 20.93 H new ATOM 0 HH22 ARG A 66 49.973 21.965 28.099 1.00 20.93 H new ATOM 733 N LEU A 67 45.358 14.267 31.021 1.00 16.06 N ATOM 734 CA LEU A 67 45.262 12.809 31.261 1.00 18.16 C ATOM 735 C LEU A 67 46.615 12.114 30.853 1.00 18.26 C ATOM 736 O LEU A 67 47.369 12.607 30.033 1.00 18.71 O ATOM 737 CB ALEU A 67 44.163 12.178 30.366 0.56 19.98 C ATOM 738 CB BLEU A 67 44.143 12.185 30.421 0.49 19.04 C ATOM 739 CG ALEU A 67 42.826 12.970 30.335 0.56 22.92 C ATOM 740 CG BLEU A 67 42.720 12.792 30.640 0.49 19.96 C ATOM 741 CD1ALEU A 67 41.914 12.449 29.186 0.56 24.07 C ATOM 742 CD1BLEU A 67 42.541 14.135 29.850 0.49 20.88 C ATOM 743 CD2ALEU A 67 42.128 12.716 31.660 0.56 23.85 C ATOM 744 CD2BLEU A 67 41.697 11.766 30.097 0.49 21.83 C ATOM 0 H LEU A 67 45.290 14.464 30.187 1.00 16.06 H new ATOM 0 HA LEU A 67 45.059 12.680 32.201 1.00 18.16 H new ATOM 0 HB2ALEU A 67 44.503 12.103 29.461 0.56 19.04 H new ATOM 0 HB2BLEU A 67 44.375 12.275 29.483 0.49 19.04 H new ATOM 0 HB3ALEU A 67 43.985 11.277 30.678 0.56 19.04 H new ATOM 0 HB3BLEU A 67 44.106 11.235 30.614 0.49 19.04 H new ATOM 0 HG ALEU A 67 42.999 13.914 30.191 0.56 19.96 H new ATOM 0 HG BLEU A 67 42.592 12.977 31.583 0.49 19.96 H new ATOM 0 HD11ALEU A 67 41.084 12.951 29.178 0.56 20.88 H new ATOM 0 HD11BLEU A 67 41.650 14.486 30.006 0.49 20.88 H new ATOM 0 HD12ALEU A 67 42.368 12.562 28.336 0.56 20.88 H new ATOM 0 HD12BLEU A 67 43.200 14.779 30.153 0.49 20.88 H new ATOM 0 HD13ALEU A 67 41.721 11.509 29.327 0.56 20.88 H new ATOM 0 HD13BLEU A 67 42.662 13.971 28.902 0.49 20.88 H new ATOM 0 HD21ALEU A 67 41.285 13.196 31.679 0.56 21.83 H new ATOM 0 HD21BLEU A 67 40.798 12.111 30.217 0.49 21.83 H new ATOM 0 HD22ALEU A 67 41.961 11.766 31.761 0.56 21.83 H new ATOM 0 HD22BLEU A 67 41.861 11.613 29.153 0.49 21.83 H new ATOM 0 HD23ALEU A 67 42.692 13.024 32.387 0.56 21.83 H new ATOM 0 HD23BLEU A 67 41.789 10.930 30.580 0.49 21.83 H new ATOM 765 N GLY A 69 46.844 10.969 31.420 1.00 16.37 N ATOM 766 CA GLY A 69 48.056 10.139 31.155 1.00 16.79 C ATOM 767 C GLY A 69 49.369 10.717 31.544 1.00 17.91 C ATOM 768 O GLY A 69 50.404 10.386 30.986 1.00 18.56 O ATOM 0 H GLY A 69 46.306 10.615 31.989 1.00 16.37 H new ATOM 0 HA2 GLY A 69 47.950 9.294 31.619 1.00 16.79 H new ATOM 0 HA3 GLY A 69 48.084 9.940 30.206 1.00 16.79 H new ATOM 772 N GLU A 70 49.283 11.555 32.521 1.00 17.46 N ATOM 773 CA GLU A 70 50.480 12.227 33.028 1.00 18.40 C ATOM 774 C GLU A 70 51.241 11.522 34.133 1.00 17.33 C ATOM 775 O GLU A 70 50.689 10.794 34.923 1.00 17.13 O ATOM 776 CB GLU A 70 50.118 13.615 33.653 1.00 18.14 C ATOM 777 CG GLU A 70 49.656 14.675 32.648 1.00 18.17 C ATOM 778 CD GLU A 70 50.903 15.340 32.020 1.00 18.99 C ATOM 779 OE1 GLU A 70 51.904 14.655 32.011 1.00 16.90 O ATOM 780 OE2 GLU A 70 50.838 16.465 31.568 1.00 20.14 O ATOM 0 H GLU A 70 48.551 11.765 32.921 1.00 17.46 H new ATOM 0 HA GLU A 70 51.036 12.265 32.234 1.00 18.40 H new ATOM 0 HB2 GLU A 70 49.418 13.486 34.311 1.00 18.14 H new ATOM 0 HB3 GLU A 70 50.894 13.954 34.127 1.00 18.14 H new ATOM 0 HG2 GLU A 70 49.109 14.268 31.958 1.00 18.17 H new ATOM 0 HG3 GLU A 70 49.107 15.341 33.090 1.00 18.17 H new ATOM 787 N ASP A 71 52.522 11.779 34.116 1.00 17.88 N ATOM 788 CA ASP A 71 53.389 11.222 35.176 1.00 18.46 C ATOM 789 C ASP A 71 54.202 12.505 35.462 1.00 19.34 C ATOM 790 O ASP A 71 53.898 13.199 36.416 1.00 18.40 O ATOM 791 CB ASP A 71 54.360 10.053 34.788 1.00 16.49 C ATOM 792 CG ASP A 71 55.043 9.662 36.139 1.00 18.18 C ATOM 793 OD1 ASP A 71 54.401 9.597 37.169 1.00 21.37 O ATOM 794 OD2 ASP A 71 56.225 9.432 36.113 1.00 20.02 O ATOM 0 H ASP A 71 52.922 12.259 33.525 1.00 17.88 H new ATOM 0 HA ASP A 71 52.880 10.801 35.886 1.00 18.46 H new ATOM 0 HB2 ASP A 71 53.878 9.304 34.404 1.00 16.49 H new ATOM 0 HB3 ASP A 71 55.013 10.338 34.130 1.00 16.49 H new ATOM 799 N ASN A 72 55.187 12.837 34.650 1.00 19.10 N ATOM 800 CA ASN A 72 55.990 14.090 34.904 1.00 17.33 C ATOM 801 C ASN A 72 55.136 15.200 34.286 1.00 16.25 C ATOM 802 O ASN A 72 54.929 15.169 33.076 1.00 15.51 O ATOM 803 CB ASN A 72 57.368 14.007 34.188 1.00 16.88 C ATOM 804 CG ASN A 72 58.153 15.231 34.616 1.00 18.56 C ATOM 805 OD1 ASN A 72 57.637 16.331 34.510 1.00 18.28 O ATOM 806 ND2 ASN A 72 59.368 15.109 35.088 1.00 19.87 N ATOM 0 H ASN A 72 55.425 12.385 33.958 1.00 19.10 H new ATOM 0 HA ASN A 72 56.176 14.234 35.845 1.00 17.33 H new ATOM 0 HB2 ASN A 72 57.836 13.194 34.434 1.00 16.88 H new ATOM 0 HB3 ASN A 72 57.256 13.989 33.225 1.00 16.88 H new ATOM 0 HD21 ASN A 72 59.809 15.808 35.326 1.00 19.87 H new ATOM 0 HD22 ASN A 72 59.725 14.330 35.160 1.00 19.87 H new ATOM 813 N ILE A 73 54.629 16.134 35.009 1.00 14.92 N ATOM 814 CA ILE A 73 53.780 17.201 34.384 1.00 16.73 C ATOM 815 C ILE A 73 54.554 18.311 33.699 1.00 15.43 C ATOM 816 O ILE A 73 53.945 19.219 33.170 1.00 17.09 O ATOM 817 CB ILE A 73 52.855 17.799 35.464 1.00 17.03 C ATOM 818 CG1 ILE A 73 53.735 18.223 36.651 1.00 19.19 C ATOM 819 CG2 ILE A 73 51.750 16.769 35.861 1.00 18.47 C ATOM 820 CD1 ILE A 73 52.916 19.098 37.603 1.00 21.58 C ATOM 0 H ILE A 73 54.737 16.207 35.859 1.00 14.92 H new ATOM 0 HA ILE A 73 53.274 16.768 33.678 1.00 16.73 H new ATOM 0 HB ILE A 73 52.384 18.580 35.134 1.00 17.03 H new ATOM 0 HG12 ILE A 73 54.065 17.440 37.118 1.00 19.19 H new ATOM 0 HG13 ILE A 73 54.511 18.711 36.333 1.00 19.19 H new ATOM 0 HG21 ILE A 73 51.175 17.156 36.540 1.00 18.47 H new ATOM 0 HG22 ILE A 73 51.221 16.545 35.080 1.00 18.47 H new ATOM 0 HG23 ILE A 73 52.167 15.966 36.210 1.00 18.47 H new ATOM 0 HD11 ILE A 73 53.470 19.367 38.353 1.00 21.58 H new ATOM 0 HD12 ILE A 73 52.606 19.887 37.132 1.00 21.58 H new ATOM 0 HD13 ILE A 73 52.153 18.596 37.929 1.00 21.58 H new ATOM 832 N ASN A 74 55.842 18.195 33.728 1.00 15.35 N ATOM 833 CA ASN A 74 56.694 19.212 33.072 1.00 15.86 C ATOM 834 C ASN A 74 57.317 18.611 31.826 1.00 16.20 C ATOM 835 O ASN A 74 57.957 19.334 31.101 1.00 19.94 O ATOM 836 CB ASN A 74 57.826 19.690 34.015 1.00 16.37 C ATOM 837 CG ASN A 74 57.361 20.897 34.839 1.00 17.17 C ATOM 838 OD1 ASN A 74 56.587 21.742 34.417 1.00 14.98 O ATOM 839 ND2 ASN A 74 57.807 21.046 36.037 1.00 18.11 N ATOM 0 H ASN A 74 56.268 17.553 34.110 1.00 15.35 H new ATOM 0 HA ASN A 74 56.138 19.974 32.845 1.00 15.86 H new ATOM 0 HB2 ASN A 74 58.088 18.968 34.607 1.00 16.37 H new ATOM 0 HB3 ASN A 74 58.609 19.928 33.495 1.00 16.37 H new ATOM 0 HD21 ASN A 74 57.558 21.721 36.508 1.00 18.11 H new ATOM 0 HD22 ASN A 74 58.354 20.470 36.367 1.00 18.11 H new ATOM 846 N VAL A 75 57.153 17.328 31.592 1.00 16.12 N ATOM 847 CA VAL A 75 57.736 16.710 30.356 1.00 15.25 C ATOM 848 C VAL A 75 56.710 15.948 29.538 1.00 16.95 C ATOM 849 O VAL A 75 55.998 15.157 30.124 1.00 16.05 O ATOM 850 CB VAL A 75 58.853 15.693 30.727 1.00 17.42 C ATOM 851 CG1 VAL A 75 59.489 15.102 29.417 1.00 18.23 C ATOM 852 CG2 VAL A 75 59.964 16.358 31.560 1.00 16.62 C ATOM 0 H VAL A 75 56.724 16.787 32.104 1.00 16.12 H new ATOM 0 HA VAL A 75 58.082 17.451 29.834 1.00 15.25 H new ATOM 0 HB VAL A 75 58.447 14.988 31.255 1.00 17.42 H new ATOM 0 HG11 VAL A 75 60.185 14.468 29.652 1.00 18.23 H new ATOM 0 HG12 VAL A 75 58.804 14.651 28.899 1.00 18.23 H new ATOM 0 HG13 VAL A 75 59.872 15.821 28.890 1.00 18.23 H new ATOM 0 HG21 VAL A 75 60.644 15.701 31.776 1.00 16.62 H new ATOM 0 HG22 VAL A 75 60.363 17.080 31.050 1.00 16.62 H new ATOM 0 HG23 VAL A 75 59.586 16.712 32.380 1.00 16.62 H new ATOM 862 N VAL A 76 56.575 16.102 28.257 1.00 17.68 N ATOM 863 CA VAL A 76 55.576 15.338 27.469 1.00 19.79 C ATOM 864 C VAL A 76 56.347 13.986 27.294 1.00 21.05 C ATOM 865 O VAL A 76 57.351 13.915 26.619 1.00 20.32 O ATOM 866 CB VAL A 76 55.350 16.033 26.118 1.00 20.67 C ATOM 867 CG1 VAL A 76 54.408 15.144 25.232 1.00 22.97 C ATOM 868 CG2 VAL A 76 54.712 17.397 26.405 1.00 19.66 C ATOM 0 H VAL A 76 57.048 16.648 27.790 1.00 17.68 H new ATOM 0 HA VAL A 76 54.696 15.248 27.867 1.00 19.79 H new ATOM 0 HB VAL A 76 56.183 16.157 25.637 1.00 20.67 H new ATOM 0 HG11 VAL A 76 54.262 15.579 24.377 1.00 22.97 H new ATOM 0 HG12 VAL A 76 54.821 14.278 25.088 1.00 22.97 H new ATOM 0 HG13 VAL A 76 53.557 15.024 25.683 1.00 22.97 H new ATOM 0 HG21 VAL A 76 54.556 17.864 25.569 1.00 19.66 H new ATOM 0 HG22 VAL A 76 53.868 17.269 26.866 1.00 19.66 H new ATOM 0 HG23 VAL A 76 55.308 17.923 26.962 1.00 19.66 H new ATOM 878 N GLU A 77 55.844 12.941 27.903 1.00 20.02 N ATOM 879 CA GLU A 77 56.509 11.620 27.818 1.00 21.37 C ATOM 880 C GLU A 77 55.872 10.735 26.778 1.00 21.96 C ATOM 881 O GLU A 77 56.346 9.634 26.608 1.00 25.43 O ATOM 882 CB GLU A 77 56.448 10.948 29.201 1.00 20.79 C ATOM 883 CG GLU A 77 57.335 11.761 30.145 1.00 21.00 C ATOM 884 CD GLU A 77 57.385 11.241 31.588 1.00 23.29 C ATOM 885 OE1 GLU A 77 56.454 11.446 32.339 1.00 21.11 O ATOM 886 OE2 GLU A 77 58.405 10.646 31.875 1.00 28.67 O ATOM 0 H GLU A 77 55.124 12.953 28.373 1.00 20.02 H new ATOM 0 HA GLU A 77 57.431 11.754 27.549 1.00 21.37 H new ATOM 0 HB2 GLU A 77 55.535 10.922 29.528 1.00 20.79 H new ATOM 0 HB3 GLU A 77 56.757 10.030 29.148 1.00 20.79 H new ATOM 0 HG2 GLU A 77 58.237 11.776 29.788 1.00 21.00 H new ATOM 0 HG3 GLU A 77 57.019 12.678 30.156 1.00 21.00 H new ATOM 893 N GLY A 78 54.841 11.209 26.131 1.00 22.68 N ATOM 894 CA GLY A 78 54.187 10.369 25.086 1.00 24.24 C ATOM 895 C GLY A 78 52.836 9.796 25.445 1.00 25.16 C ATOM 896 O GLY A 78 52.157 9.392 24.530 1.00 26.61 O ATOM 0 H GLY A 78 54.492 11.985 26.255 1.00 22.68 H new ATOM 0 HA2 GLY A 78 54.089 10.903 24.282 1.00 24.24 H new ATOM 0 HA3 GLY A 78 54.782 9.635 24.868 1.00 24.24 H new ATOM 900 N ASN A 79 52.444 9.758 26.698 1.00 22.89 N ATOM 901 CA ASN A 79 51.085 9.165 27.023 1.00 25.90 C ATOM 902 C ASN A 79 50.009 10.146 27.429 1.00 24.19 C ATOM 903 O ASN A 79 48.974 9.725 27.923 1.00 24.85 O ATOM 904 CB ASN A 79 51.233 8.167 28.189 1.00 27.47 C ATOM 905 CG ASN A 79 52.097 7.047 27.657 1.00 31.49 C ATOM 906 OD1 ASN A 79 51.714 6.338 26.745 1.00 32.95 O ATOM 907 ND2 ASN A 79 53.258 6.835 28.174 1.00 31.83 N ATOM 0 H ASN A 79 52.897 10.045 27.370 1.00 22.89 H new ATOM 0 HA ASN A 79 50.798 8.761 26.189 1.00 25.90 H new ATOM 0 HB2 ASN A 79 51.644 8.589 28.960 1.00 27.47 H new ATOM 0 HB3 ASN A 79 50.368 7.834 28.476 1.00 27.47 H new ATOM 0 HD21 ASN A 79 53.752 6.198 27.874 1.00 31.83 H new ATOM 0 HD22 ASN A 79 53.538 7.330 28.819 1.00 31.83 H new ATOM 914 N GLU A 80 50.241 11.401 27.197 1.00 21.47 N ATOM 915 CA GLU A 80 49.225 12.403 27.621 1.00 19.34 C ATOM 916 C GLU A 80 48.180 12.729 26.634 1.00 17.99 C ATOM 917 O GLU A 80 48.421 12.522 25.471 1.00 16.06 O ATOM 918 CB GLU A 80 49.858 13.788 27.945 1.00 18.21 C ATOM 919 CG GLU A 80 51.009 13.739 28.965 1.00 18.33 C ATOM 920 CD GLU A 80 52.418 13.423 28.357 1.00 18.61 C ATOM 921 OE1 GLU A 80 52.602 12.907 27.267 1.00 19.53 O ATOM 922 OE2 GLU A 80 53.327 13.729 29.066 1.00 16.54 O ATOM 0 H GLU A 80 50.942 11.717 26.813 1.00 21.47 H new ATOM 0 HA GLU A 80 48.835 11.954 28.387 1.00 19.34 H new ATOM 0 HB2 GLU A 80 50.187 14.181 27.122 1.00 18.21 H new ATOM 0 HB3 GLU A 80 49.165 14.376 28.284 1.00 18.21 H new ATOM 0 HG2 GLU A 80 51.053 14.593 29.424 1.00 18.33 H new ATOM 0 HG3 GLU A 80 50.802 13.068 29.634 1.00 18.33 H new ATOM 929 N GLN A 81 47.078 13.217 27.140 1.00 18.07 N ATOM 930 CA GLN A 81 45.912 13.652 26.327 1.00 18.10 C ATOM 931 C GLN A 81 45.583 14.968 27.088 1.00 17.77 C ATOM 932 O GLN A 81 45.376 14.945 28.289 1.00 15.41 O ATOM 933 CB GLN A 81 44.717 12.702 26.381 1.00 18.15 C ATOM 934 CG GLN A 81 45.054 11.422 25.605 1.00 20.00 C ATOM 935 CD GLN A 81 43.891 10.456 25.749 1.00 22.14 C ATOM 936 OE1 GLN A 81 42.763 10.808 25.458 1.00 24.07 O ATOM 937 NE2 GLN A 81 44.079 9.250 26.191 1.00 23.57 N ATOM 0 H GLN A 81 46.959 13.317 27.986 1.00 18.07 H new ATOM 0 HA GLN A 81 46.098 13.713 25.377 1.00 18.10 H new ATOM 0 HB2 GLN A 81 44.502 12.487 27.302 1.00 18.15 H new ATOM 0 HB3 GLN A 81 43.934 13.128 25.999 1.00 18.15 H new ATOM 0 HG2 GLN A 81 45.210 11.625 24.670 1.00 20.00 H new ATOM 0 HG3 GLN A 81 45.869 11.023 25.949 1.00 20.00 H new ATOM 0 HE21 GLN A 81 44.871 8.987 26.401 1.00 23.57 H new ATOM 0 HE22 GLN A 81 43.412 8.714 26.274 1.00 23.57 H new ATOM 946 N PHE A 82 45.553 16.058 26.364 1.00 16.14 N ATOM 947 CA PHE A 82 45.256 17.435 26.905 1.00 17.54 C ATOM 948 C PHE A 82 43.906 17.785 26.305 1.00 18.16 C ATOM 949 O PHE A 82 43.833 17.926 25.097 1.00 20.94 O ATOM 950 CB PHE A 82 46.334 18.430 26.410 1.00 18.33 C ATOM 951 CG PHE A 82 47.739 18.132 26.986 1.00 18.81 C ATOM 952 CD1 PHE A 82 48.844 18.760 26.443 1.00 21.49 C ATOM 953 CD2 PHE A 82 47.941 17.262 28.047 1.00 18.64 C ATOM 954 CE1 PHE A 82 50.109 18.521 26.969 1.00 22.99 C ATOM 955 CE2 PHE A 82 49.186 17.024 28.568 1.00 21.20 C ATOM 956 CZ PHE A 82 50.283 17.656 28.037 1.00 22.08 C ATOM 0 H PHE A 82 45.704 16.054 25.517 1.00 16.14 H new ATOM 0 HA PHE A 82 45.252 17.471 27.874 1.00 17.54 H new ATOM 0 HB2 PHE A 82 46.374 18.401 25.441 1.00 18.33 H new ATOM 0 HB3 PHE A 82 46.073 19.331 26.656 1.00 18.33 H new ATOM 0 HD1 PHE A 82 48.742 19.343 25.725 1.00 21.49 H new ATOM 0 HD2 PHE A 82 47.208 16.826 28.417 1.00 18.64 H new ATOM 0 HE1 PHE A 82 50.848 18.948 26.599 1.00 22.99 H new ATOM 0 HE2 PHE A 82 49.288 16.435 29.280 1.00 21.20 H new ATOM 0 HZ PHE A 82 51.131 17.506 28.389 1.00 22.08 H new ATOM 966 N ILE A 83 42.889 17.910 27.100 1.00 15.97 N ATOM 967 CA ILE A 83 41.526 18.229 26.577 1.00 16.06 C ATOM 968 C ILE A 83 40.901 19.388 27.372 1.00 16.80 C ATOM 969 O ILE A 83 40.940 19.385 28.592 1.00 15.66 O ATOM 970 CB ILE A 83 40.664 16.929 26.703 1.00 16.45 C ATOM 971 CG1 ILE A 83 41.346 15.740 25.989 1.00 17.22 C ATOM 972 CG2 ILE A 83 39.297 17.187 26.042 1.00 17.71 C ATOM 973 CD1 ILE A 83 40.724 14.434 26.435 1.00 19.74 C ATOM 0 H ILE A 83 42.931 17.820 27.954 1.00 15.97 H new ATOM 0 HA ILE A 83 41.570 18.513 25.651 1.00 16.06 H new ATOM 0 HB ILE A 83 40.563 16.708 27.642 1.00 16.45 H new ATOM 0 HG12 ILE A 83 41.256 15.837 25.028 1.00 17.22 H new ATOM 0 HG13 ILE A 83 42.296 15.737 26.186 1.00 17.22 H new ATOM 0 HG21 ILE A 83 38.748 16.390 26.111 1.00 17.71 H new ATOM 0 HG22 ILE A 83 38.854 17.924 26.491 1.00 17.71 H new ATOM 0 HG23 ILE A 83 39.426 17.410 25.107 1.00 17.71 H new ATOM 0 HD11 ILE A 83 41.160 13.696 25.981 1.00 19.74 H new ATOM 0 HD12 ILE A 83 40.834 14.333 27.393 1.00 19.74 H new ATOM 0 HD13 ILE A 83 39.779 14.434 26.217 1.00 19.74 H new ATOM 985 N SER A 84 40.332 20.323 26.684 1.00 15.16 N ATOM 986 CA SER A 84 39.711 21.448 27.411 1.00 18.92 C ATOM 987 C SER A 84 38.350 21.029 27.950 1.00 18.04 C ATOM 988 O SER A 84 37.717 20.113 27.450 1.00 17.78 O ATOM 989 CB SER A 84 39.526 22.644 26.462 1.00 22.95 C ATOM 990 OG SER A 84 40.830 23.221 26.304 1.00 28.74 O ATOM 0 H SER A 84 40.279 20.353 25.826 1.00 15.16 H new ATOM 0 HA SER A 84 40.290 21.701 28.147 1.00 18.92 H new ATOM 0 HB2 SER A 84 39.166 22.358 25.608 1.00 22.95 H new ATOM 0 HB3 SER A 84 38.902 23.289 26.832 1.00 22.95 H new ATOM 0 HG SER A 84 40.783 23.883 25.789 1.00 28.74 H new ATOM 996 N ALA A 85 37.957 21.764 28.949 1.00 17.67 N ATOM 997 CA ALA A 85 36.661 21.517 29.625 1.00 18.24 C ATOM 998 C ALA A 85 35.594 22.295 28.852 1.00 17.90 C ATOM 999 O ALA A 85 35.896 23.385 28.430 1.00 18.03 O ATOM 1000 CB ALA A 85 36.751 22.036 31.052 1.00 20.08 C ATOM 0 H ALA A 85 38.409 22.420 29.272 1.00 17.67 H new ATOM 0 HA ALA A 85 36.442 20.572 29.646 1.00 18.24 H new ATOM 0 HB1 ALA A 85 35.908 21.881 31.507 1.00 20.08 H new ATOM 0 HB2 ALA A 85 37.462 21.572 31.521 1.00 20.08 H new ATOM 0 HB3 ALA A 85 36.940 22.987 31.039 1.00 20.08 H new ATOM 1006 N SER A 86 34.422 21.755 28.685 1.00 17.59 N ATOM 1007 CA SER A 86 33.327 22.471 27.948 1.00 19.14 C ATOM 1008 C SER A 86 32.398 23.115 28.991 1.00 16.99 C ATOM 1009 O SER A 86 31.690 24.070 28.713 1.00 17.36 O ATOM 1010 CB SER A 86 32.549 21.469 27.065 1.00 20.09 C ATOM 1011 OG SER A 86 32.198 20.384 27.901 1.00 23.43 O ATOM 0 H SER A 86 34.205 20.976 28.977 1.00 17.59 H new ATOM 0 HA SER A 86 33.694 23.156 27.368 1.00 19.14 H new ATOM 0 HB2 SER A 86 31.758 21.884 26.688 1.00 20.09 H new ATOM 0 HB3 SER A 86 33.094 21.169 26.321 1.00 20.09 H new ATOM 0 HG SER A 86 31.770 19.814 27.456 1.00 23.43 H new ATOM 1017 N LYS A 87 32.334 22.486 30.161 1.00 16.67 N ATOM 1018 CA LYS A 87 31.477 22.943 31.308 1.00 16.96 C ATOM 1019 C LYS A 87 31.962 22.394 32.649 1.00 15.78 C ATOM 1020 O LYS A 87 32.492 21.307 32.729 1.00 16.51 O ATOM 1021 CB ALYS A 87 29.977 22.554 31.110 0.47 17.23 C ATOM 1022 CB BLYS A 87 30.004 22.486 31.013 0.39 17.35 C ATOM 1023 CG ALYS A 87 29.562 21.095 31.165 0.47 18.05 C ATOM 1024 CG BLYS A 87 29.029 22.763 32.184 0.39 17.45 C ATOM 1025 CD ALYS A 87 28.052 21.044 30.704 0.47 19.17 C ATOM 1026 CD BLYS A 87 27.570 22.928 31.696 0.39 18.82 C ATOM 1027 CE ALYS A 87 27.111 22.090 31.451 0.47 22.06 C ATOM 1028 CE BLYS A 87 27.079 21.861 30.699 0.39 20.62 C ATOM 1029 NZ ALYS A 87 25.728 22.106 30.867 0.47 24.26 N ATOM 1030 NZ BLYS A 87 25.622 22.081 30.420 0.39 21.01 N ATOM 0 H LYS A 87 32.783 21.773 30.333 1.00 16.67 H new ATOM 0 HA LYS A 87 31.554 23.910 31.321 1.00 16.96 H new ATOM 0 HB2ALYS A 87 29.464 23.026 31.785 0.47 17.35 H new ATOM 0 HB2BLYS A 87 29.684 22.942 30.219 0.39 17.35 H new ATOM 0 HB3ALYS A 87 29.699 22.901 30.248 0.47 17.35 H new ATOM 0 HB3BLYS A 87 30.000 21.536 30.815 0.39 17.35 H new ATOM 0 HG2ALYS A 87 30.119 20.555 30.583 0.47 17.45 H new ATOM 0 HG2BLYS A 87 29.075 22.034 32.822 0.39 17.45 H new ATOM 0 HG3ALYS A 87 29.662 20.741 32.063 0.47 17.45 H new ATOM 0 HG3BLYS A 87 29.306 23.567 32.651 0.39 17.45 H new ATOM 0 HD2ALYS A 87 28.009 21.209 29.749 0.47 18.82 H new ATOM 0 HD2BLYS A 87 26.984 22.920 32.469 0.39 18.82 H new ATOM 0 HD3ALYS A 87 27.708 20.149 30.853 0.47 18.82 H new ATOM 0 HD3BLYS A 87 27.481 23.801 31.282 0.39 18.82 H new ATOM 0 HE2ALYS A 87 27.062 21.867 32.394 0.47 20.62 H new ATOM 0 HE2BLYS A 87 27.589 21.913 29.875 0.39 20.62 H new ATOM 0 HE3ALYS A 87 27.499 22.977 31.389 0.47 20.62 H new ATOM 0 HE3BLYS A 87 27.219 20.973 31.064 0.39 20.62 H new ATOM 0 HZ1ALYS A 87 25.370 22.914 30.973 0.47 21.01 H new ATOM 0 HZ1BLYS A 87 25.450 21.890 29.568 0.39 21.01 H new ATOM 0 HZ2ALYS A 87 25.770 21.912 29.999 0.47 21.01 H new ATOM 0 HZ2BLYS A 87 25.136 21.553 30.946 0.39 21.01 H new ATOM 0 HZ3ALYS A 87 25.223 21.502 31.282 0.47 21.01 H new ATOM 0 HZ3BLYS A 87 25.414 22.931 30.580 0.39 21.01 H new ATOM 1055 N SER A 88 31.774 23.237 33.635 1.00 16.95 N ATOM 1056 CA SER A 88 32.093 22.902 35.052 1.00 16.87 C ATOM 1057 C SER A 88 30.772 23.103 35.852 1.00 16.51 C ATOM 1058 O SER A 88 30.051 24.061 35.607 1.00 17.98 O ATOM 1059 CB ASER A 88 33.204 23.869 35.486 0.17 15.79 C ATOM 1060 CB BSER A 88 33.148 23.847 35.608 0.69 18.00 C ATOM 1061 OG ASER A 88 33.733 23.334 36.692 0.17 16.83 O ATOM 1062 OG BSER A 88 34.328 23.426 34.945 0.69 19.16 O ATOM 0 H SER A 88 31.458 24.029 33.527 1.00 16.95 H new ATOM 0 HA SER A 88 32.405 21.995 35.194 1.00 16.87 H new ATOM 0 HB2ASER A 88 33.891 23.938 34.805 0.17 18.00 H new ATOM 0 HB2BSER A 88 32.938 24.774 35.415 0.69 18.00 H new ATOM 0 HB3ASER A 88 32.853 24.762 35.626 0.17 18.00 H new ATOM 0 HB3BSER A 88 33.229 23.769 36.571 0.69 18.00 H new ATOM 0 HG ASER A 88 34.350 23.830 36.972 0.17 19.16 H new ATOM 0 HG BSER A 88 34.974 23.902 35.194 0.69 19.16 H new ATOM 1071 N ILE A 89 30.514 22.204 36.773 1.00 14.34 N ATOM 1072 CA ILE A 89 29.312 22.245 37.611 1.00 13.67 C ATOM 1073 C ILE A 89 29.742 22.043 39.073 1.00 15.02 C ATOM 1074 O ILE A 89 30.084 20.945 39.481 1.00 14.72 O ATOM 1075 CB ILE A 89 28.387 21.140 37.191 1.00 13.89 C ATOM 1076 CG1 ILE A 89 28.062 21.268 35.675 1.00 16.61 C ATOM 1077 CG2 ILE A 89 27.105 21.265 38.060 1.00 15.29 C ATOM 1078 CD1 ILE A 89 27.402 19.968 35.167 1.00 19.21 C ATOM 0 H ILE A 89 31.032 21.538 36.941 1.00 14.34 H new ATOM 0 HA ILE A 89 28.853 23.095 37.517 1.00 13.67 H new ATOM 0 HB ILE A 89 28.792 20.268 37.322 1.00 13.89 H new ATOM 0 HG12 ILE A 89 27.469 22.021 35.526 1.00 16.61 H new ATOM 0 HG13 ILE A 89 28.875 21.444 35.176 1.00 16.61 H new ATOM 0 HG21 ILE A 89 26.480 20.565 37.817 1.00 15.29 H new ATOM 0 HG22 ILE A 89 27.339 21.178 38.997 1.00 15.29 H new ATOM 0 HG23 ILE A 89 26.695 22.131 37.909 1.00 15.29 H new ATOM 0 HD11 ILE A 89 27.202 20.054 34.222 1.00 19.21 H new ATOM 0 HD12 ILE A 89 28.008 19.223 35.302 1.00 19.21 H new ATOM 0 HD13 ILE A 89 26.580 19.809 35.658 1.00 19.21 H new ATOM 1090 N VAL A 90 29.702 23.108 39.813 1.00 13.91 N ATOM 1091 CA VAL A 90 30.075 23.059 41.243 1.00 12.96 C ATOM 1092 C VAL A 90 28.773 22.563 41.969 1.00 14.75 C ATOM 1093 O VAL A 90 27.661 22.915 41.574 1.00 13.80 O ATOM 1094 CB VAL A 90 30.465 24.480 41.662 1.00 13.33 C ATOM 1095 CG1 VAL A 90 30.474 24.604 43.209 1.00 13.36 C ATOM 1096 CG2 VAL A 90 31.833 24.863 41.073 1.00 14.26 C ATOM 0 H VAL A 90 29.464 23.885 39.530 1.00 13.91 H new ATOM 0 HA VAL A 90 30.822 22.476 41.452 1.00 12.96 H new ATOM 0 HB VAL A 90 29.804 25.097 41.311 1.00 13.33 H new ATOM 0 HG11 VAL A 90 30.722 25.507 43.460 1.00 13.36 H new ATOM 0 HG12 VAL A 90 29.590 24.404 43.555 1.00 13.36 H new ATOM 0 HG13 VAL A 90 31.115 23.978 43.580 1.00 13.36 H new ATOM 0 HG21 VAL A 90 32.063 25.764 41.348 1.00 14.26 H new ATOM 0 HG22 VAL A 90 32.508 24.245 41.394 1.00 14.26 H new ATOM 0 HG23 VAL A 90 31.792 24.822 40.105 1.00 14.26 H new ATOM 1106 N HIS A 91 28.941 21.772 43.004 1.00 12.09 N ATOM 1107 CA HIS A 91 27.752 21.275 43.716 1.00 13.95 C ATOM 1108 C HIS A 91 26.806 22.448 44.073 1.00 15.15 C ATOM 1109 O HIS A 91 27.287 23.469 44.526 1.00 14.15 O ATOM 1110 CB HIS A 91 28.224 20.558 44.977 1.00 14.20 C ATOM 1111 CG HIS A 91 27.066 19.820 45.649 1.00 16.55 C ATOM 1112 ND1 HIS A 91 26.291 20.303 46.566 1.00 17.83 N ATOM 1113 CD2 HIS A 91 26.601 18.536 45.435 1.00 16.61 C ATOM 1114 CE1 HIS A 91 25.412 19.406 46.899 1.00 17.17 C ATOM 1115 NE2 HIS A 91 25.573 18.300 46.221 1.00 18.76 N ATOM 0 H HIS A 91 29.699 21.510 43.314 1.00 12.09 H new ATOM 0 HA HIS A 91 27.255 20.661 43.153 1.00 13.95 H new ATOM 0 HB2 HIS A 91 28.927 19.929 44.752 1.00 14.20 H new ATOM 0 HB3 HIS A 91 28.606 21.200 45.595 1.00 14.20 H new ATOM 0 HD2 HIS A 91 26.960 17.931 44.827 1.00 16.61 H new ATOM 0 HE1 HIS A 91 24.751 19.535 47.540 1.00 17.17 H new ATOM 0 HE2 HIS A 91 25.109 17.578 46.277 1.00 18.76 H new ATOM 1123 N PRO A 92 25.518 22.309 43.889 1.00 15.09 N ATOM 1124 CA PRO A 92 24.531 23.364 44.246 1.00 15.49 C ATOM 1125 C PRO A 92 24.632 23.874 45.684 1.00 15.41 C ATOM 1126 O PRO A 92 24.322 25.017 45.958 1.00 16.70 O ATOM 1127 CB PRO A 92 23.158 22.726 43.914 1.00 17.04 C ATOM 1128 CG PRO A 92 23.478 21.207 43.949 1.00 19.14 C ATOM 1129 CD PRO A 92 24.863 21.119 43.317 1.00 16.53 C ATOM 0 HA PRO A 92 24.693 24.178 43.743 1.00 15.49 H new ATOM 0 HB2 PRO A 92 22.480 22.968 44.565 1.00 17.04 H new ATOM 0 HB3 PRO A 92 22.830 23.006 43.045 1.00 17.04 H new ATOM 0 HG2 PRO A 92 23.477 20.863 44.856 1.00 19.14 H new ATOM 0 HG3 PRO A 92 22.824 20.693 43.450 1.00 19.14 H new ATOM 0 HD2 PRO A 92 25.322 20.299 43.555 1.00 16.53 H new ATOM 0 HD3 PRO A 92 24.826 21.152 42.348 1.00 16.53 H new ATOM 1137 N SER A 93 25.053 23.008 46.566 1.00 15.08 N ATOM 1138 CA SER A 93 25.176 23.427 47.996 1.00 15.48 C ATOM 1139 C SER A 93 26.613 23.597 48.537 1.00 14.19 C ATOM 1140 O SER A 93 26.830 23.505 49.734 1.00 16.95 O ATOM 1141 CB SER A 93 24.418 22.382 48.865 1.00 18.28 C ATOM 1142 OG SER A 93 23.170 22.161 48.195 1.00 21.35 O ATOM 0 H SER A 93 25.273 22.194 46.397 1.00 15.08 H new ATOM 0 HA SER A 93 24.794 24.317 48.047 1.00 15.48 H new ATOM 0 HB2 SER A 93 24.924 21.558 48.941 1.00 18.28 H new ATOM 0 HB3 SER A 93 24.277 22.713 49.766 1.00 18.28 H new ATOM 0 HG SER A 93 22.717 21.599 48.624 1.00 21.35 H new ATOM 1148 N TYR A 94 27.546 23.840 47.672 1.00 13.10 N ATOM 1149 CA TYR A 94 28.947 24.026 48.109 1.00 12.84 C ATOM 1150 C TYR A 94 29.009 25.332 48.926 1.00 15.99 C ATOM 1151 O TYR A 94 28.485 26.371 48.530 1.00 15.47 O ATOM 1152 CB TYR A 94 29.845 24.137 46.911 1.00 12.91 C ATOM 1153 CG TYR A 94 31.275 24.603 47.281 1.00 13.02 C ATOM 1154 CD1 TYR A 94 31.757 25.794 46.802 1.00 14.19 C ATOM 1155 CD2 TYR A 94 32.108 23.829 48.068 1.00 12.89 C ATOM 1156 CE1 TYR A 94 33.024 26.214 47.108 1.00 14.89 C ATOM 1157 CE2 TYR A 94 33.368 24.242 48.367 1.00 12.63 C ATOM 1158 CZ TYR A 94 33.827 25.423 47.900 1.00 13.53 C ATOM 1159 OH TYR A 94 35.099 25.790 48.242 1.00 17.38 O ATOM 0 H TYR A 94 27.419 23.906 46.824 1.00 13.10 H new ATOM 0 HA TYR A 94 29.240 23.271 48.644 1.00 12.84 H new ATOM 0 HB2 TYR A 94 29.894 23.276 46.466 1.00 12.91 H new ATOM 0 HB3 TYR A 94 29.458 24.762 46.278 1.00 12.91 H new ATOM 0 HD1 TYR A 94 31.216 26.324 46.262 1.00 14.19 H new ATOM 0 HD2 TYR A 94 31.802 23.015 48.397 1.00 12.89 H new ATOM 0 HE1 TYR A 94 33.340 27.026 46.784 1.00 14.89 H new ATOM 0 HE2 TYR A 94 33.917 23.709 48.896 1.00 12.63 H new ATOM 0 HH TYR A 94 35.297 26.509 47.856 1.00 17.38 H new ATOM 1169 N ASN A 95 29.676 25.215 50.044 1.00 16.18 N ATOM 1170 CA ASN A 95 29.863 26.343 50.990 1.00 17.26 C ATOM 1171 C ASN A 95 31.373 26.629 51.043 1.00 16.17 C ATOM 1172 O ASN A 95 32.082 25.854 51.660 1.00 16.90 O ATOM 1173 CB ASN A 95 29.315 25.891 52.360 1.00 18.09 C ATOM 1174 CG ASN A 95 29.353 27.091 53.284 1.00 19.82 C ATOM 1175 OD1 ASN A 95 30.277 27.885 53.329 1.00 21.26 O ATOM 1176 ND2 ASN A 95 28.352 27.278 54.068 1.00 23.52 N ATOM 0 H ASN A 95 30.046 24.482 50.299 1.00 16.18 H new ATOM 0 HA ASN A 95 29.396 27.151 50.725 1.00 17.26 H new ATOM 0 HB2 ASN A 95 28.409 25.557 52.272 1.00 18.09 H new ATOM 0 HB3 ASN A 95 29.850 25.166 52.719 1.00 18.09 H new ATOM 0 HD21 ASN A 95 28.346 27.949 54.605 1.00 23.52 H new ATOM 0 HD22 ASN A 95 27.688 26.732 54.055 1.00 23.52 H new ATOM 1183 N SER A 96 31.830 27.697 50.435 1.00 16.05 N ATOM 1184 CA SER A 96 33.301 27.977 50.471 1.00 18.35 C ATOM 1185 C SER A 96 33.879 28.378 51.797 1.00 18.92 C ATOM 1186 O SER A 96 35.073 28.462 51.911 1.00 21.88 O ATOM 1187 CB SER A 96 33.667 29.090 49.448 1.00 19.87 C ATOM 1188 OG SER A 96 33.041 30.347 49.764 1.00 20.52 O ATOM 0 H SER A 96 31.352 28.268 50.005 1.00 16.05 H new ATOM 0 HA SER A 96 33.692 27.117 50.253 1.00 18.35 H new ATOM 0 HB2 SER A 96 34.630 29.206 49.429 1.00 19.87 H new ATOM 0 HB3 SER A 96 33.398 28.811 48.559 1.00 19.87 H new ATOM 0 HG SER A 96 33.262 30.922 49.193 1.00 20.52 H new ATOM 1194 N ASN A 97 33.050 28.619 52.757 1.00 20.29 N ATOM 1195 CA ASN A 97 33.566 29.033 54.087 1.00 21.18 C ATOM 1196 C ASN A 97 33.790 27.819 54.919 1.00 18.54 C ATOM 1197 O ASN A 97 34.741 27.817 55.667 1.00 20.58 O ATOM 1198 CB ASN A 97 32.551 29.963 54.814 1.00 24.33 C ATOM 1199 CG ASN A 97 32.659 31.366 54.228 1.00 28.29 C ATOM 1200 OD1 ASN A 97 31.680 32.066 54.114 1.00 33.84 O ATOM 1201 ND2 ASN A 97 33.805 31.861 53.840 1.00 30.51 N ATOM 0 H ASN A 97 32.194 28.560 52.696 1.00 20.29 H new ATOM 0 HA ASN A 97 34.396 29.519 53.959 1.00 21.18 H new ATOM 0 HB2 ASN A 97 31.649 29.623 54.707 1.00 24.33 H new ATOM 0 HB3 ASN A 97 32.736 29.982 55.766 1.00 24.33 H new ATOM 0 HD21 ASN A 97 33.842 32.657 53.518 1.00 30.51 H new ATOM 0 HD22 ASN A 97 34.522 31.390 53.907 1.00 30.51 H new ATOM 1208 N THR A 98 32.961 26.825 54.805 1.00 17.12 N ATOM 1209 CA THR A 98 33.136 25.575 55.625 1.00 16.98 C ATOM 1210 C THR A 98 33.675 24.386 54.806 1.00 17.21 C ATOM 1211 O THR A 98 34.100 23.392 55.376 1.00 16.94 O ATOM 1212 CB THR A 98 31.792 25.181 56.194 1.00 17.22 C ATOM 1213 OG1 THR A 98 30.967 25.029 55.039 1.00 18.26 O ATOM 1214 CG2 THR A 98 31.084 26.298 57.029 1.00 18.40 C ATOM 0 H THR A 98 32.284 26.816 54.274 1.00 17.12 H new ATOM 0 HA THR A 98 33.785 25.775 56.318 1.00 16.98 H new ATOM 0 HB THR A 98 31.917 24.412 56.771 1.00 17.22 H new ATOM 0 HG1 THR A 98 30.192 24.806 55.275 1.00 18.26 H new ATOM 0 HG21 THR A 98 30.233 25.967 57.356 1.00 18.40 H new ATOM 0 HG22 THR A 98 31.645 26.545 57.781 1.00 18.40 H new ATOM 0 HG23 THR A 98 30.934 27.075 56.469 1.00 18.40 H new ATOM 1222 N LEU A 99 33.608 24.555 53.502 1.00 15.42 N ATOM 1223 CA LEU A 99 34.041 23.575 52.471 1.00 17.47 C ATOM 1224 C LEU A 99 33.097 22.373 52.470 1.00 16.88 C ATOM 1225 O LEU A 99 33.443 21.281 52.033 1.00 16.04 O ATOM 1226 CB LEU A 99 35.512 23.064 52.680 1.00 19.06 C ATOM 1227 CG LEU A 99 36.534 24.149 52.203 1.00 25.26 C ATOM 1228 CD1 LEU A 99 37.789 23.451 51.650 1.00 27.87 C ATOM 1229 CD2 LEU A 99 36.001 25.039 51.078 1.00 26.59 C ATOM 0 H LEU A 99 33.295 25.277 53.155 1.00 15.42 H new ATOM 0 HA LEU A 99 34.013 24.041 51.621 1.00 17.47 H new ATOM 0 HB2 LEU A 99 35.661 22.860 53.617 1.00 19.06 H new ATOM 0 HB3 LEU A 99 35.649 22.241 52.185 1.00 19.06 H new ATOM 0 HG LEU A 99 36.716 24.704 52.978 1.00 25.26 H new ATOM 0 HD11 LEU A 99 38.426 24.119 51.353 1.00 27.87 H new ATOM 0 HD12 LEU A 99 38.191 22.908 52.346 1.00 27.87 H new ATOM 0 HD13 LEU A 99 37.542 22.885 50.902 1.00 27.87 H new ATOM 0 HD21 LEU A 99 36.679 25.687 50.829 1.00 26.59 H new ATOM 0 HD22 LEU A 99 35.780 24.491 50.309 1.00 26.59 H new ATOM 0 HD23 LEU A 99 35.206 25.504 51.382 1.00 26.59 H new ATOM 1241 N ASN A 100 31.893 22.592 52.947 1.00 14.80 N ATOM 1242 CA ASN A 100 30.917 21.451 52.969 1.00 15.61 C ATOM 1243 C ASN A 100 30.465 21.283 51.481 1.00 13.93 C ATOM 1244 O ASN A 100 30.272 22.275 50.806 1.00 15.15 O ATOM 1245 CB ASN A 100 29.738 21.824 53.876 1.00 15.15 C ATOM 1246 CG ASN A 100 28.766 20.654 54.072 1.00 15.53 C ATOM 1247 OD1 ASN A 100 29.066 19.469 54.028 1.00 16.37 O ATOM 1248 ND2 ASN A 100 27.527 20.953 54.314 1.00 17.49 N ATOM 0 H ASN A 100 31.604 23.341 53.254 1.00 14.80 H new ATOM 0 HA ASN A 100 31.293 20.626 53.314 1.00 15.61 H new ATOM 0 HB2 ASN A 100 30.074 22.111 54.739 1.00 15.15 H new ATOM 0 HB3 ASN A 100 29.262 22.577 53.492 1.00 15.15 H new ATOM 0 HD21 ASN A 100 26.950 20.327 54.437 1.00 17.49 H new ATOM 0 HD22 ASN A 100 27.283 21.777 54.352 1.00 17.49 H new ATOM 1255 N ASN A 101 30.331 20.051 51.046 1.00 14.33 N ATOM 1256 CA ASN A 101 29.919 19.669 49.654 1.00 12.48 C ATOM 1257 C ASN A 101 30.990 20.150 48.685 1.00 10.98 C ATOM 1258 O ASN A 101 30.728 20.738 47.649 1.00 11.86 O ATOM 1259 CB ASN A 101 28.598 20.321 49.249 1.00 14.28 C ATOM 1260 CG ASN A 101 27.474 19.931 50.182 1.00 15.13 C ATOM 1261 OD1 ASN A 101 27.151 18.782 50.370 1.00 14.27 O ATOM 1262 ND2 ASN A 101 26.820 20.842 50.803 1.00 14.42 N ATOM 0 H ASN A 101 30.476 19.369 51.549 1.00 14.33 H new ATOM 0 HA ASN A 101 29.809 18.706 49.629 1.00 12.48 H new ATOM 0 HB2 ASN A 101 28.699 21.286 49.249 1.00 14.28 H new ATOM 0 HB3 ASN A 101 28.372 20.060 48.343 1.00 14.28 H new ATOM 0 HD21 ASN A 101 26.177 20.625 51.331 1.00 14.42 H new ATOM 0 HD22 ASN A 101 27.024 21.670 50.691 1.00 14.42 H new ATOM 1269 N ASP A 102 32.207 19.873 49.030 1.00 12.01 N ATOM 1270 CA ASP A 102 33.352 20.302 48.159 1.00 11.70 C ATOM 1271 C ASP A 102 33.580 19.306 47.037 1.00 11.22 C ATOM 1272 O ASP A 102 34.459 18.476 47.110 1.00 11.32 O ATOM 1273 CB ASP A 102 34.624 20.422 49.022 1.00 11.99 C ATOM 1274 CG ASP A 102 35.839 20.989 48.264 1.00 14.49 C ATOM 1275 OD1 ASP A 102 35.625 21.583 47.219 1.00 12.71 O ATOM 1276 OD2 ASP A 102 36.929 20.789 48.792 1.00 14.03 O ATOM 0 H ASP A 102 32.430 19.447 49.743 1.00 12.01 H new ATOM 0 HA ASP A 102 33.141 21.161 47.761 1.00 11.70 H new ATOM 0 HB2 ASP A 102 34.435 20.991 49.784 1.00 11.99 H new ATOM 0 HB3 ASP A 102 34.851 19.546 49.371 1.00 11.99 H new ATOM 1281 N ILE A 103 32.750 19.411 46.035 1.00 13.15 N ATOM 1282 CA ILE A 103 32.824 18.526 44.820 1.00 13.67 C ATOM 1283 C ILE A 103 32.308 19.310 43.582 1.00 13.67 C ATOM 1284 O ILE A 103 31.392 20.115 43.669 1.00 13.16 O ATOM 1285 CB ILE A 103 31.985 17.214 45.098 1.00 14.33 C ATOM 1286 CG1 ILE A 103 32.078 16.278 43.867 1.00 14.97 C ATOM 1287 CG2 ILE A 103 30.503 17.530 45.424 1.00 14.27 C ATOM 1288 CD1 ILE A 103 31.434 14.884 44.147 1.00 15.69 C ATOM 0 H ILE A 103 32.113 19.988 46.007 1.00 13.15 H new ATOM 0 HA ILE A 103 33.738 18.262 44.633 1.00 13.67 H new ATOM 0 HB ILE A 103 32.360 16.774 45.877 1.00 14.33 H new ATOM 0 HG12 ILE A 103 31.634 16.693 43.111 1.00 14.97 H new ATOM 0 HG13 ILE A 103 33.009 16.160 43.620 1.00 14.97 H new ATOM 0 HG21 ILE A 103 30.024 16.703 45.588 1.00 14.27 H new ATOM 0 HG22 ILE A 103 30.458 18.091 46.214 1.00 14.27 H new ATOM 0 HG23 ILE A 103 30.099 17.994 44.675 1.00 14.27 H new ATOM 0 HD11 ILE A 103 31.511 14.327 43.356 1.00 15.69 H new ATOM 0 HD12 ILE A 103 31.893 14.458 44.888 1.00 15.69 H new ATOM 0 HD13 ILE A 103 30.497 14.999 44.371 1.00 15.69 H new ATOM 1300 N MET A 104 32.928 19.032 42.476 1.00 13.23 N ATOM 1301 CA MET A 104 32.601 19.674 41.181 1.00 14.06 C ATOM 1302 C MET A 104 32.788 18.632 40.061 1.00 13.12 C ATOM 1303 O MET A 104 33.633 17.763 40.186 1.00 12.93 O ATOM 1304 CB MET A 104 33.566 20.812 41.051 1.00 17.62 C ATOM 1305 CG MET A 104 33.702 21.442 39.690 1.00 21.93 C ATOM 1306 SD MET A 104 34.926 22.767 39.593 1.00 21.59 S ATOM 1307 CE MET A 104 36.408 21.797 39.835 1.00 22.31 C ATOM 0 H MET A 104 33.567 18.458 42.426 1.00 13.23 H new ATOM 0 HA MET A 104 31.688 19.997 41.125 1.00 14.06 H new ATOM 0 HB2 MET A 104 33.303 21.504 41.678 1.00 17.62 H new ATOM 0 HB3 MET A 104 34.441 20.498 41.326 1.00 17.62 H new ATOM 0 HG2 MET A 104 33.938 20.753 39.050 1.00 21.93 H new ATOM 0 HG3 MET A 104 32.839 21.795 39.422 1.00 21.93 H new ATOM 0 HE1 MET A 104 36.874 22.109 40.626 1.00 22.31 H new ATOM 0 HE2 MET A 104 36.169 20.864 39.948 1.00 22.31 H new ATOM 0 HE3 MET A 104 36.986 21.891 39.062 1.00 22.31 H new ATOM 1317 N LEU A 105 32.021 18.778 39.013 1.00 13.06 N ATOM 1318 CA LEU A 105 32.067 17.863 37.822 1.00 13.63 C ATOM 1319 C LEU A 105 32.556 18.717 36.660 1.00 11.98 C ATOM 1320 O LEU A 105 32.136 19.850 36.560 1.00 12.85 O ATOM 1321 CB LEU A 105 30.693 17.373 37.444 1.00 13.46 C ATOM 1322 CG LEU A 105 30.124 16.324 38.409 1.00 17.38 C ATOM 1323 CD1 LEU A 105 28.677 15.974 37.982 1.00 19.02 C ATOM 1324 CD2 LEU A 105 30.963 15.079 38.350 1.00 19.40 C ATOM 0 H LEU A 105 31.441 19.409 38.940 1.00 13.06 H new ATOM 0 HA LEU A 105 32.629 17.098 38.022 1.00 13.63 H new ATOM 0 HB2 LEU A 105 30.087 18.130 37.408 1.00 13.46 H new ATOM 0 HB3 LEU A 105 30.728 16.995 36.552 1.00 13.46 H new ATOM 0 HG LEU A 105 30.129 16.679 39.312 1.00 17.38 H new ATOM 0 HD11 LEU A 105 28.312 15.311 38.589 1.00 19.02 H new ATOM 0 HD12 LEU A 105 28.129 16.774 38.010 1.00 19.02 H new ATOM 0 HD13 LEU A 105 28.683 15.618 37.080 1.00 19.02 H new ATOM 0 HD21 LEU A 105 30.603 14.417 38.960 1.00 19.40 H new ATOM 0 HD22 LEU A 105 30.954 14.725 37.447 1.00 19.40 H new ATOM 0 HD23 LEU A 105 31.875 15.291 38.605 1.00 19.40 H new ATOM 1336 N ILE A 106 33.395 18.161 35.842 1.00 12.11 N ATOM 1337 CA ILE A 106 33.963 18.873 34.668 1.00 14.47 C ATOM 1338 C ILE A 106 33.718 17.997 33.432 1.00 15.74 C ATOM 1339 O ILE A 106 34.129 16.841 33.454 1.00 14.30 O ATOM 1340 CB ILE A 106 35.487 19.055 34.889 1.00 14.70 C ATOM 1341 CG1 ILE A 106 35.762 19.948 36.105 1.00 15.42 C ATOM 1342 CG2 ILE A 106 36.145 19.645 33.621 1.00 15.48 C ATOM 1343 CD1 ILE A 106 37.235 19.874 36.486 1.00 16.41 C ATOM 0 H ILE A 106 33.673 17.352 35.927 1.00 12.11 H new ATOM 0 HA ILE A 106 33.552 19.743 34.549 1.00 14.47 H new ATOM 0 HB ILE A 106 35.876 18.184 35.064 1.00 14.70 H new ATOM 0 HG12 ILE A 106 35.518 20.865 35.904 1.00 15.42 H new ATOM 0 HG13 ILE A 106 35.212 19.666 36.853 1.00 15.42 H new ATOM 0 HG21 ILE A 106 37.097 19.754 33.771 1.00 15.48 H new ATOM 0 HG22 ILE A 106 36.003 19.044 32.873 1.00 15.48 H new ATOM 0 HG23 ILE A 106 35.749 20.508 33.422 1.00 15.48 H new ATOM 0 HD11 ILE A 106 37.399 20.441 37.255 1.00 16.41 H new ATOM 0 HD12 ILE A 106 37.467 18.958 36.705 1.00 16.41 H new ATOM 0 HD13 ILE A 106 37.778 20.175 35.741 1.00 16.41 H new ATOM 1355 N LYS A 107 33.095 18.548 32.421 1.00 15.27 N ATOM 1356 CA LYS A 107 32.835 17.755 31.182 1.00 15.66 C ATOM 1357 C LYS A 107 33.955 18.150 30.175 1.00 16.53 C ATOM 1358 O LYS A 107 34.330 19.306 30.035 1.00 16.21 O ATOM 1359 CB LYS A 107 31.472 18.129 30.571 1.00 16.49 C ATOM 1360 CG LYS A 107 31.126 17.129 29.440 1.00 15.81 C ATOM 1361 CD LYS A 107 29.798 17.532 28.799 1.00 16.33 C ATOM 1362 CE LYS A 107 29.369 16.335 27.935 1.00 19.43 C ATOM 1363 NZ LYS A 107 28.106 16.577 27.178 1.00 22.22 N ATOM 0 H LYS A 107 32.809 19.359 32.403 1.00 15.27 H new ATOM 0 HA LYS A 107 32.827 16.805 31.380 1.00 15.66 H new ATOM 0 HB2 LYS A 107 30.784 18.111 31.254 1.00 16.49 H new ATOM 0 HB3 LYS A 107 31.500 19.033 30.220 1.00 16.49 H new ATOM 0 HG2 LYS A 107 31.830 17.122 28.773 1.00 15.81 H new ATOM 0 HG3 LYS A 107 31.065 16.229 29.797 1.00 15.81 H new ATOM 0 HD2 LYS A 107 29.131 17.730 29.475 1.00 16.33 H new ATOM 0 HD3 LYS A 107 29.901 18.332 28.259 1.00 16.33 H new ATOM 0 HE2 LYS A 107 30.079 16.125 27.309 1.00 19.43 H new ATOM 0 HE3 LYS A 107 29.254 15.558 28.504 1.00 19.43 H new ATOM 0 HZ1 LYS A 107 27.796 15.805 26.863 1.00 22.22 H new ATOM 0 HZ2 LYS A 107 27.500 16.940 27.719 1.00 22.22 H new ATOM 0 HZ3 LYS A 107 28.267 17.131 26.500 1.00 22.22 H new ATOM 1377 N LEU A 108 34.434 17.158 29.490 1.00 16.43 N ATOM 1378 CA LEU A 108 35.511 17.333 28.487 1.00 17.17 C ATOM 1379 C LEU A 108 34.889 17.702 27.170 1.00 17.71 C ATOM 1380 O LEU A 108 33.814 17.249 26.858 1.00 17.76 O ATOM 1381 CB LEU A 108 36.271 16.017 28.247 1.00 19.36 C ATOM 1382 CG LEU A 108 36.926 15.379 29.517 1.00 21.23 C ATOM 1383 CD1 LEU A 108 37.676 14.087 29.095 1.00 20.42 C ATOM 1384 CD2 LEU A 108 37.961 16.326 30.160 1.00 22.42 C ATOM 0 H LEU A 108 34.161 16.347 29.573 1.00 16.43 H new ATOM 0 HA LEU A 108 36.116 18.014 28.820 1.00 17.17 H new ATOM 0 HB2 LEU A 108 35.658 15.373 27.860 1.00 19.36 H new ATOM 0 HB3 LEU A 108 36.966 16.178 27.589 1.00 19.36 H new ATOM 0 HG LEU A 108 36.220 15.197 30.157 1.00 21.23 H new ATOM 0 HD11 LEU A 108 38.087 13.682 29.875 1.00 20.42 H new ATOM 0 HD12 LEU A 108 37.048 13.462 28.700 1.00 20.42 H new ATOM 0 HD13 LEU A 108 38.363 14.308 28.447 1.00 20.42 H new ATOM 0 HD21 LEU A 108 38.347 15.901 30.942 1.00 22.42 H new ATOM 0 HD22 LEU A 108 38.663 16.521 29.520 1.00 22.42 H new ATOM 0 HD23 LEU A 108 37.525 17.152 30.423 1.00 22.42 H new ATOM 1396 N LYS A 109 35.591 18.501 26.436 1.00 17.40 N ATOM 1397 CA LYS A 109 35.118 18.942 25.102 1.00 18.97 C ATOM 1398 C LYS A 109 35.034 17.753 24.145 1.00 18.97 C ATOM 1399 O LYS A 109 34.154 17.739 23.315 1.00 21.81 O ATOM 1400 CB LYS A 109 36.084 19.926 24.468 1.00 23.20 C ATOM 1401 CG LYS A 109 35.635 21.369 24.660 1.00 26.62 C ATOM 1402 CD LYS A 109 36.723 22.269 24.004 0.17 26.25 C ATOM 1403 CE LYS A 109 36.876 22.055 22.467 0.17 25.93 C ATOM 1404 NZ LYS A 109 38.167 22.655 22.017 0.17 26.33 N ATOM 0 H LYS A 109 36.356 18.820 26.667 1.00 17.40 H new ATOM 0 HA LYS A 109 34.251 19.353 25.241 1.00 18.97 H new ATOM 0 HB2 LYS A 109 36.965 19.808 24.855 1.00 23.20 H new ATOM 0 HB3 LYS A 109 36.163 19.736 23.520 1.00 23.20 H new ATOM 0 HG2 LYS A 109 34.770 21.518 24.247 1.00 26.62 H new ATOM 0 HG3 LYS A 109 35.539 21.577 25.603 1.00 26.62 H new ATOM 0 HD2 LYS A 109 36.505 23.199 24.172 0.17 26.25 H new ATOM 0 HD3 LYS A 109 37.576 22.095 24.432 0.17 26.25 H new ATOM 0 HE2 LYS A 109 36.856 21.108 22.257 0.17 25.93 H new ATOM 0 HE3 LYS A 109 36.134 22.466 21.996 0.17 25.93 H new ATOM 0 HZ1 LYS A 109 38.260 22.536 21.140 0.17 26.33 H new ATOM 0 HZ2 LYS A 109 38.169 23.526 22.200 0.17 26.33 H new ATOM 0 HZ3 LYS A 109 38.842 22.261 22.443 0.17 26.33 H new ATOM 1418 N SER A 110 35.941 16.835 24.277 1.00 20.29 N ATOM 1419 CA SER A 110 36.028 15.601 23.432 1.00 23.14 C ATOM 1420 C SER A 110 36.203 14.470 24.427 1.00 22.92 C ATOM 1421 O SER A 110 36.709 14.677 25.518 1.00 22.02 O ATOM 1422 CB SER A 110 37.273 15.538 22.539 1.00 24.68 C ATOM 1423 OG SER A 110 37.208 16.801 21.906 1.00 31.22 O ATOM 0 H SER A 110 36.561 16.881 24.871 1.00 20.29 H new ATOM 0 HA SER A 110 35.246 15.568 22.858 1.00 23.14 H new ATOM 0 HB2 SER A 110 38.088 15.425 23.052 1.00 24.68 H new ATOM 0 HB3 SER A 110 37.234 14.806 21.904 1.00 24.68 H new ATOM 0 HG SER A 110 37.857 16.885 21.380 1.00 31.22 H new ATOM 1429 N ALA A 111 35.806 13.304 24.022 1.00 21.84 N ATOM 1430 CA ALA A 111 35.955 12.159 24.946 1.00 20.96 C ATOM 1431 C ALA A 111 37.391 11.773 24.906 1.00 21.19 C ATOM 1432 O ALA A 111 38.029 11.928 23.882 1.00 21.86 O ATOM 1433 CB ALA A 111 35.122 10.959 24.474 1.00 22.68 C ATOM 0 H ALA A 111 35.459 13.129 23.255 1.00 21.84 H new ATOM 0 HA ALA A 111 35.657 12.406 25.835 1.00 20.96 H new ATOM 0 HB1 ALA A 111 35.236 10.222 25.094 1.00 22.68 H new ATOM 0 HB2 ALA A 111 34.186 11.209 24.438 1.00 22.68 H new ATOM 0 HB3 ALA A 111 35.418 10.687 23.591 1.00 22.68 H new ATOM 1439 N ALA A 112 37.821 11.268 26.013 1.00 19.94 N ATOM 1440 CA ALA A 112 39.218 10.815 26.175 1.00 19.67 C ATOM 1441 C ALA A 112 39.267 9.420 25.581 1.00 21.55 C ATOM 1442 O ALA A 112 38.243 8.776 25.491 1.00 20.62 O ATOM 1443 CB ALA A 112 39.573 10.676 27.623 1.00 19.38 C ATOM 0 H ALA A 112 37.332 11.165 26.713 1.00 19.94 H new ATOM 0 HA ALA A 112 39.824 11.447 25.758 1.00 19.67 H new ATOM 0 HB1 ALA A 112 40.493 10.378 27.704 1.00 19.38 H new ATOM 0 HB2 ALA A 112 39.471 11.533 28.065 1.00 19.38 H new ATOM 0 HB3 ALA A 112 38.985 10.026 28.039 1.00 19.38 H new ATOM 1449 N SER A 113 40.440 8.980 25.223 1.00 23.03 N ATOM 1450 CA SER A 113 40.598 7.603 24.640 1.00 24.67 C ATOM 1451 C SER A 113 41.139 6.860 25.822 1.00 21.34 C ATOM 1452 O SER A 113 42.184 7.176 26.354 1.00 22.99 O ATOM 1453 CB SER A 113 41.633 7.530 23.494 1.00 24.95 C ATOM 1454 OG SER A 113 40.963 8.285 22.489 1.00 32.03 O ATOM 0 H SER A 113 41.170 9.429 25.293 1.00 23.03 H new ATOM 0 HA SER A 113 39.773 7.271 24.252 1.00 24.67 H new ATOM 0 HB2 SER A 113 42.486 7.921 23.742 1.00 24.95 H new ATOM 0 HB3 SER A 113 41.809 6.618 23.214 1.00 24.95 H new ATOM 0 HG SER A 113 41.440 8.319 21.799 1.00 32.03 H new ATOM 1460 N LEU A 114 40.389 5.893 26.184 1.00 20.58 N ATOM 1461 CA LEU A 114 40.774 5.081 27.333 1.00 23.24 C ATOM 1462 C LEU A 114 41.687 3.999 26.870 1.00 24.55 C ATOM 1463 O LEU A 114 41.467 3.386 25.852 1.00 26.69 O ATOM 1464 CB LEU A 114 39.532 4.464 27.941 1.00 24.48 C ATOM 1465 CG LEU A 114 38.454 5.522 28.298 1.00 25.34 C ATOM 1466 CD1 LEU A 114 37.302 4.748 28.980 1.00 25.00 C ATOM 1467 CD2 LEU A 114 39.039 6.604 29.252 1.00 24.79 C ATOM 0 H LEU A 114 39.653 5.667 25.801 1.00 20.58 H new ATOM 0 HA LEU A 114 41.222 5.630 27.996 1.00 23.24 H new ATOM 0 HB2 LEU A 114 39.156 3.822 27.319 1.00 24.48 H new ATOM 0 HB3 LEU A 114 39.777 3.974 28.741 1.00 24.48 H new ATOM 0 HG LEU A 114 38.142 5.989 27.507 1.00 25.34 H new ATOM 0 HD11 LEU A 114 36.597 5.367 29.225 1.00 25.00 H new ATOM 0 HD12 LEU A 114 36.950 4.084 28.366 1.00 25.00 H new ATOM 0 HD13 LEU A 114 37.636 4.307 29.777 1.00 25.00 H new ATOM 0 HD21 LEU A 114 38.352 7.255 29.463 1.00 24.79 H new ATOM 0 HD22 LEU A 114 39.347 6.182 30.070 1.00 24.79 H new ATOM 0 HD23 LEU A 114 39.783 7.050 28.818 1.00 24.79 H new ATOM 1479 N ASN A 115 42.698 3.752 27.617 1.00 25.01 N ATOM 1480 CA ASN A 115 43.657 2.696 27.257 1.00 26.96 C ATOM 1481 C ASN A 115 44.266 2.299 28.588 1.00 29.27 C ATOM 1482 O ASN A 115 43.681 2.560 29.620 1.00 28.99 O ATOM 1483 CB ASN A 115 44.700 3.254 26.278 1.00 25.97 C ATOM 1484 CG ASN A 115 45.407 4.479 26.835 1.00 26.17 C ATOM 1485 OD1 ASN A 115 45.984 4.444 27.907 1.00 29.83 O ATOM 1486 ND2 ASN A 115 45.391 5.569 26.146 1.00 27.42 N ATOM 0 H ASN A 115 42.876 4.169 28.348 1.00 25.01 H new ATOM 0 HA ASN A 115 43.259 1.935 26.807 1.00 26.96 H new ATOM 0 HB2 ASN A 115 45.355 2.567 26.078 1.00 25.97 H new ATOM 0 HB3 ASN A 115 44.266 3.484 25.442 1.00 25.97 H new ATOM 0 HD21 ASN A 115 45.788 6.272 26.443 1.00 27.42 H new ATOM 0 HD22 ASN A 115 44.983 5.593 25.389 1.00 27.42 H new ATOM 1493 N SER A 116 45.403 1.685 28.539 1.00 32.25 N ATOM 1494 CA SER A 116 46.092 1.234 29.768 1.00 34.29 C ATOM 1495 C SER A 116 46.533 2.356 30.701 1.00 33.44 C ATOM 1496 O SER A 116 46.464 2.231 31.916 1.00 35.79 O ATOM 1497 CB SER A 116 47.322 0.404 29.321 1.00 35.85 C ATOM 1498 OG SER A 116 46.871 -0.264 28.132 1.00 41.60 O ATOM 0 H SER A 116 45.821 1.504 27.809 1.00 32.25 H new ATOM 0 HA SER A 116 45.459 0.715 30.288 1.00 34.29 H new ATOM 0 HB2 SER A 116 48.088 0.971 29.142 1.00 35.85 H new ATOM 0 HB3 SER A 116 47.592 -0.229 30.005 1.00 35.85 H new ATOM 0 HG SER A 116 47.492 -0.739 27.825 1.00 41.60 H new ATOM 1504 N ARG A 117 46.967 3.407 30.064 1.00 30.87 N ATOM 1505 CA ARG A 117 47.467 4.599 30.810 1.00 30.45 C ATOM 1506 C ARG A 117 46.404 5.611 31.229 1.00 27.30 C ATOM 1507 O ARG A 117 46.634 6.391 32.140 1.00 25.88 O ATOM 1508 CB ARG A 117 48.561 5.184 29.873 1.00 29.25 C ATOM 1509 CG ARG A 117 49.600 4.019 29.714 1.00 30.30 C ATOM 1510 CD ARG A 117 50.737 4.319 28.755 1.00 32.60 C ATOM 1511 NE ARG A 117 51.411 3.008 28.467 0.19 31.87 N ATOM 1512 CZ ARG A 117 52.650 2.738 28.801 0.19 32.18 C ATOM 1513 NH1 ARG A 117 53.369 3.573 29.501 0.19 32.87 N ATOM 1514 NH2 ARG A 117 53.139 1.593 28.411 0.19 32.93 N ATOM 0 H ARG A 117 46.993 3.480 29.207 1.00 30.87 H new ATOM 0 HA ARG A 117 47.812 4.346 31.681 1.00 30.45 H new ATOM 0 HB2 ARG A 117 48.190 5.446 29.016 1.00 29.25 H new ATOM 0 HB3 ARG A 117 48.971 5.974 30.258 1.00 29.25 H new ATOM 0 HG2 ARG A 117 49.973 3.812 30.585 1.00 30.30 H new ATOM 0 HG3 ARG A 117 49.135 3.225 29.408 1.00 30.30 H new ATOM 0 HD2 ARG A 117 50.402 4.722 27.938 1.00 32.60 H new ATOM 0 HD3 ARG A 117 51.362 4.949 29.147 1.00 32.60 H new ATOM 0 HE ARG A 117 50.959 2.400 28.060 0.19 31.87 H new ATOM 0 HH11 ARG A 117 53.032 4.322 29.755 0.19 32.87 H new ATOM 0 HH12 ARG A 117 54.180 3.374 29.708 0.19 32.87 H new ATOM 0 HH21 ARG A 117 52.652 1.051 27.954 0.19 32.93 H new ATOM 0 HH22 ARG A 117 53.948 1.380 28.611 0.19 32.93 H new ATOM 1528 N VAL A 118 45.298 5.570 30.541 1.00 25.26 N ATOM 1529 CA VAL A 118 44.170 6.495 30.843 1.00 21.56 C ATOM 1530 C VAL A 118 42.942 5.586 31.086 1.00 21.74 C ATOM 1531 O VAL A 118 42.450 4.945 30.157 1.00 20.84 O ATOM 1532 CB VAL A 118 44.008 7.443 29.609 1.00 20.20 C ATOM 1533 CG1 VAL A 118 42.850 8.413 29.820 1.00 21.42 C ATOM 1534 CG2 VAL A 118 45.317 8.244 29.336 1.00 18.80 C ATOM 0 H VAL A 118 45.152 5.026 29.891 1.00 25.26 H new ATOM 0 HA VAL A 118 44.301 7.058 31.622 1.00 21.56 H new ATOM 0 HB VAL A 118 43.819 6.885 28.838 1.00 20.20 H new ATOM 0 HG11 VAL A 118 42.766 8.991 29.045 1.00 21.42 H new ATOM 0 HG12 VAL A 118 42.027 7.914 29.941 1.00 21.42 H new ATOM 0 HG13 VAL A 118 43.019 8.952 30.608 1.00 21.42 H new ATOM 0 HG21 VAL A 118 45.189 8.822 28.568 1.00 18.80 H new ATOM 0 HG22 VAL A 118 45.535 8.783 30.113 1.00 18.80 H new ATOM 0 HG23 VAL A 118 46.043 7.626 29.157 1.00 18.80 H new ATOM 1544 N ALA A 119 42.478 5.550 32.316 1.00 18.91 N ATOM 1545 CA ALA A 119 41.300 4.684 32.625 1.00 18.89 C ATOM 1546 C ALA A 119 40.357 5.430 33.570 1.00 18.23 C ATOM 1547 O ALA A 119 40.817 6.365 34.187 1.00 19.63 O ATOM 1548 CB ALA A 119 41.831 3.374 33.258 1.00 19.73 C ATOM 0 H ALA A 119 42.799 5.992 32.980 1.00 18.91 H new ATOM 0 HA ALA A 119 40.797 4.468 31.824 1.00 18.89 H new ATOM 0 HB1 ALA A 119 41.085 2.791 33.469 1.00 19.73 H new ATOM 0 HB2 ALA A 119 42.422 2.928 32.631 1.00 19.73 H new ATOM 0 HB3 ALA A 119 42.319 3.581 34.070 1.00 19.73 H new ATOM 1554 N SER A 120 39.113 5.044 33.684 1.00 18.38 N ATOM 1555 CA SER A 120 38.212 5.771 34.621 1.00 19.95 C ATOM 1556 C SER A 120 38.165 4.976 35.956 1.00 19.99 C ATOM 1557 O SER A 120 38.567 3.821 36.011 1.00 19.45 O ATOM 1558 CB SER A 120 36.827 5.895 33.959 1.00 20.00 C ATOM 1559 OG SER A 120 36.366 4.605 33.585 1.00 22.74 O ATOM 0 H SER A 120 38.755 4.390 33.256 1.00 18.38 H new ATOM 0 HA SER A 120 38.528 6.667 34.816 1.00 19.95 H new ATOM 0 HB2 SER A 120 36.200 6.308 34.573 1.00 20.00 H new ATOM 0 HB3 SER A 120 36.880 6.469 33.179 1.00 20.00 H new ATOM 0 HG SER A 120 35.610 4.671 33.225 1.00 22.74 H new ATOM 1565 N ILE A 121 37.679 5.580 36.996 1.00 17.62 N ATOM 1566 CA ILE A 121 37.591 4.888 38.312 1.00 18.28 C ATOM 1567 C ILE A 121 36.071 4.759 38.583 1.00 17.92 C ATOM 1568 O ILE A 121 35.277 5.578 38.160 1.00 17.95 O ATOM 1569 CB ILE A 121 38.352 5.756 39.447 1.00 17.03 C ATOM 1570 CG1 ILE A 121 38.300 5.074 40.863 1.00 16.79 C ATOM 1571 CG2 ILE A 121 37.778 7.164 39.552 1.00 15.90 C ATOM 1572 CD1 ILE A 121 39.036 3.712 40.904 1.00 18.76 C ATOM 0 H ILE A 121 37.387 6.389 36.994 1.00 17.62 H new ATOM 0 HA ILE A 121 38.020 4.018 38.319 1.00 18.28 H new ATOM 0 HB ILE A 121 39.279 5.805 39.164 1.00 17.03 H new ATOM 0 HG12 ILE A 121 38.695 5.670 41.518 1.00 16.79 H new ATOM 0 HG13 ILE A 121 37.374 4.944 41.120 1.00 16.79 H new ATOM 0 HG21 ILE A 121 38.254 7.657 40.239 1.00 15.90 H new ATOM 0 HG22 ILE A 121 37.877 7.618 38.701 1.00 15.90 H new ATOM 0 HG23 ILE A 121 36.837 7.114 39.784 1.00 15.90 H new ATOM 0 HD11 ILE A 121 38.973 3.337 41.796 1.00 18.76 H new ATOM 0 HD12 ILE A 121 38.627 3.104 40.268 1.00 18.76 H new ATOM 0 HD13 ILE A 121 39.969 3.841 40.673 1.00 18.76 H new ATOM 1584 N SER A 122 35.727 3.732 39.306 1.00 19.69 N ATOM 1585 CA SER A 122 34.306 3.453 39.655 1.00 21.38 C ATOM 1586 C SER A 122 33.849 4.223 40.876 1.00 18.67 C ATOM 1587 O SER A 122 34.620 4.463 41.791 1.00 17.49 O ATOM 1588 CB SER A 122 34.115 1.981 40.019 1.00 22.82 C ATOM 1589 OG SER A 122 34.750 1.267 38.963 1.00 29.75 O ATOM 0 H SER A 122 36.287 3.161 39.622 1.00 19.69 H new ATOM 0 HA SER A 122 33.796 3.712 38.871 1.00 21.38 H new ATOM 0 HB2 SER A 122 34.517 1.774 40.877 1.00 22.82 H new ATOM 0 HB3 SER A 122 33.175 1.752 40.084 1.00 22.82 H new ATOM 0 HG SER A 122 34.683 0.441 39.103 1.00 29.75 H new ATOM 1595 N LEU A 123 32.589 4.528 40.817 1.00 19.63 N ATOM 1596 CA LEU A 123 31.952 5.258 41.905 1.00 17.75 C ATOM 1597 C LEU A 123 31.528 4.146 42.877 1.00 18.38 C ATOM 1598 O LEU A 123 31.303 3.012 42.495 1.00 18.09 O ATOM 1599 CB LEU A 123 30.710 5.996 41.396 1.00 19.25 C ATOM 1600 CG LEU A 123 31.038 7.185 40.472 1.00 20.83 C ATOM 1601 CD1 LEU A 123 29.667 7.849 40.173 1.00 23.43 C ATOM 1602 CD2 LEU A 123 31.918 8.204 41.209 1.00 19.99 C ATOM 0 H LEU A 123 32.070 4.329 40.161 1.00 19.63 H new ATOM 0 HA LEU A 123 32.534 5.923 42.305 1.00 17.75 H new ATOM 0 HB2 LEU A 123 30.144 5.370 40.918 1.00 19.25 H new ATOM 0 HB3 LEU A 123 30.199 6.317 42.156 1.00 19.25 H new ATOM 0 HG LEU A 123 31.508 6.897 39.674 1.00 20.83 H new ATOM 0 HD11 LEU A 123 29.798 8.613 39.590 1.00 23.43 H new ATOM 0 HD12 LEU A 123 29.084 7.207 39.738 1.00 23.43 H new ATOM 0 HD13 LEU A 123 29.261 8.142 41.004 1.00 23.43 H new ATOM 0 HD21 LEU A 123 32.118 8.947 40.618 1.00 19.99 H new ATOM 0 HD22 LEU A 123 31.448 8.531 41.992 1.00 19.99 H new ATOM 0 HD23 LEU A 123 32.745 7.779 41.484 1.00 19.99 H new ATOM 1614 N PRO A 124 31.427 4.499 44.120 1.00 19.69 N ATOM 1615 CA PRO A 124 31.121 3.514 45.179 1.00 21.09 C ATOM 1616 C PRO A 124 29.639 3.110 45.165 1.00 22.45 C ATOM 1617 O PRO A 124 28.814 3.883 44.724 1.00 21.11 O ATOM 1618 CB PRO A 124 31.544 4.216 46.456 1.00 21.24 C ATOM 1619 CG PRO A 124 31.245 5.734 46.155 1.00 21.51 C ATOM 1620 CD PRO A 124 31.600 5.885 44.662 1.00 20.22 C ATOM 0 HA PRO A 124 31.587 2.671 45.066 1.00 21.09 H new ATOM 0 HB2 PRO A 124 31.042 3.898 47.222 1.00 21.24 H new ATOM 0 HB3 PRO A 124 32.483 4.068 46.651 1.00 21.24 H new ATOM 0 HG2 PRO A 124 30.316 5.955 46.325 1.00 21.51 H new ATOM 0 HG3 PRO A 124 31.782 6.320 46.710 1.00 21.51 H new ATOM 0 HD2 PRO A 124 31.014 6.518 44.218 1.00 20.22 H new ATOM 0 HD3 PRO A 124 32.508 6.205 44.541 1.00 20.22 H new ATOM 1628 N THR A 125 29.399 1.921 45.667 1.00 26.38 N ATOM 1629 CA THR A 125 28.014 1.341 45.770 1.00 27.25 C ATOM 1630 C THR A 125 27.606 1.602 47.256 1.00 27.25 C ATOM 1631 O THR A 125 26.422 1.659 47.532 1.00 32.52 O ATOM 1632 CB THR A 125 28.011 -0.192 45.483 1.00 28.31 C ATOM 1633 OG1 THR A 125 29.366 -0.649 45.612 1.00 33.92 O ATOM 1634 CG2 THR A 125 27.675 -0.474 44.015 1.00 27.83 C ATOM 0 H THR A 125 30.016 1.402 45.967 1.00 26.38 H new ATOM 0 HA THR A 125 27.408 1.738 45.126 1.00 27.25 H new ATOM 0 HB THR A 125 27.375 -0.613 46.082 1.00 28.31 H new ATOM 0 HG1 THR A 125 29.399 -1.475 45.464 1.00 33.92 H new ATOM 0 HG21 THR A 125 27.679 -1.432 43.860 1.00 27.83 H new ATOM 0 HG22 THR A 125 26.797 -0.117 43.810 1.00 27.83 H new ATOM 0 HG23 THR A 125 28.336 -0.052 43.445 1.00 27.83 H new ATOM 1642 N SER A 127 28.573 1.725 48.150 1.00 22.84 N ATOM 1643 CA SER A 127 28.284 1.998 49.597 1.00 22.08 C ATOM 1644 C SER A 127 29.485 2.793 50.128 1.00 20.65 C ATOM 1645 O SER A 127 30.492 2.872 49.429 1.00 20.25 O ATOM 1646 CB SER A 127 28.111 0.676 50.386 1.00 21.11 C ATOM 1647 OG SER A 127 29.179 -0.184 49.973 1.00 23.95 O ATOM 0 H SER A 127 29.410 1.658 47.963 1.00 22.84 H new ATOM 0 HA SER A 127 27.457 2.494 49.702 1.00 22.08 H new ATOM 0 HB2 SER A 127 28.147 0.837 51.342 1.00 21.11 H new ATOM 0 HB3 SER A 127 27.249 0.272 50.198 1.00 21.11 H new ATOM 0 HG SER A 127 29.123 -0.916 50.381 1.00 23.95 H new ATOM 1653 N CYS A 128 29.347 3.331 51.306 1.00 18.46 N ATOM 1654 CA CYS A 128 30.460 4.113 51.902 1.00 19.82 C ATOM 1655 C CYS A 128 31.487 3.153 52.580 1.00 23.49 C ATOM 1656 O CYS A 128 31.106 2.103 53.074 1.00 24.18 O ATOM 1657 CB CYS A 128 29.851 5.046 52.925 1.00 19.76 C ATOM 1658 SG CYS A 128 28.552 6.165 52.356 1.00 19.79 S ATOM 0 H CYS A 128 28.640 3.273 51.792 1.00 18.46 H new ATOM 0 HA CYS A 128 30.934 4.616 51.222 1.00 19.82 H new ATOM 0 HB2 CYS A 128 29.488 4.507 53.645 1.00 19.76 H new ATOM 0 HB3 CYS A 128 30.565 5.583 53.304 1.00 19.76 H new ATOM 1663 N ALA A 129 32.739 3.545 52.621 1.00 22.45 N ATOM 1664 CA ALA A 129 33.765 2.668 53.237 1.00 21.21 C ATOM 1665 C ALA A 129 33.875 2.876 54.738 1.00 21.29 C ATOM 1666 O ALA A 129 33.606 3.943 55.242 1.00 24.23 O ATOM 1667 CB ALA A 129 35.124 2.961 52.572 1.00 21.52 C ATOM 0 H ALA A 129 33.031 4.292 52.312 1.00 22.45 H new ATOM 0 HA ALA A 129 33.501 1.745 53.095 1.00 21.21 H new ATOM 0 HB1 ALA A 129 35.806 2.394 52.965 1.00 21.52 H new ATOM 0 HB2 ALA A 129 35.064 2.782 51.621 1.00 21.52 H new ATOM 0 HB3 ALA A 129 35.359 3.892 52.711 1.00 21.52 H new ATOM 1673 N SER A 130 34.297 1.828 55.379 1.00 24.68 N ATOM 1674 CA SER A 130 34.498 1.738 56.857 1.00 25.10 C ATOM 1675 C SER A 130 35.800 2.300 57.327 1.00 22.46 C ATOM 1676 O SER A 130 36.794 2.273 56.626 1.00 23.95 O ATOM 1677 CB SER A 130 34.527 0.260 57.365 1.00 26.43 C ATOM 1678 OG SER A 130 33.455 -0.397 56.699 1.00 30.16 O ATOM 0 H SER A 130 34.493 1.095 54.974 1.00 24.68 H new ATOM 0 HA SER A 130 33.747 2.244 57.204 1.00 25.10 H new ATOM 0 HB2 SER A 130 35.376 -0.162 57.160 1.00 26.43 H new ATOM 0 HB3 SER A 130 34.416 0.220 58.328 1.00 26.43 H new ATOM 0 HG SER A 130 33.428 -1.202 56.938 1.00 30.16 H new ATOM 1684 N ALA A 132 35.737 2.792 58.542 1.00 21.13 N ATOM 1685 CA ALA A 132 36.941 3.376 59.196 1.00 20.43 C ATOM 1686 C ALA A 132 37.916 2.188 59.201 1.00 19.60 C ATOM 1687 O ALA A 132 37.510 1.045 59.378 1.00 20.43 O ATOM 1688 CB ALA A 132 36.684 3.805 60.702 1.00 18.75 C ATOM 0 H ALA A 132 35.023 2.809 59.022 1.00 21.13 H new ATOM 0 HA ALA A 132 37.241 4.176 58.737 1.00 20.43 H new ATOM 0 HB1 ALA A 132 37.498 4.177 61.076 1.00 18.75 H new ATOM 0 HB2 ALA A 132 35.980 4.472 60.733 1.00 18.75 H new ATOM 0 HB3 ALA A 132 36.416 3.029 61.219 1.00 18.75 H new ATOM 1694 N GLY A 133 39.170 2.432 59.006 1.00 19.33 N ATOM 1695 CA GLY A 133 40.086 1.266 59.026 1.00 19.09 C ATOM 1696 C GLY A 133 40.402 0.867 57.626 1.00 19.32 C ATOM 1697 O GLY A 133 41.472 0.325 57.451 1.00 24.26 O ATOM 0 H GLY A 133 39.526 3.202 58.866 1.00 19.33 H new ATOM 0 HA2 GLY A 133 40.901 1.490 59.502 1.00 19.09 H new ATOM 0 HA3 GLY A 133 39.675 0.526 59.500 1.00 19.09 H new ATOM 1701 N THR A 134 39.522 1.104 56.676 1.00 20.06 N ATOM 1702 CA THR A 134 39.836 0.717 55.263 1.00 19.20 C ATOM 1703 C THR A 134 41.078 1.518 54.777 1.00 19.44 C ATOM 1704 O THR A 134 41.203 2.704 55.059 1.00 16.99 O ATOM 1705 CB THR A 134 38.620 1.042 54.428 1.00 20.91 C ATOM 1706 OG1 THR A 134 37.560 0.220 54.933 1.00 21.59 O ATOM 1707 CG2 THR A 134 38.813 0.608 52.968 1.00 20.58 C ATOM 0 H THR A 134 38.755 1.474 56.795 1.00 20.06 H new ATOM 0 HA THR A 134 40.043 -0.228 55.189 1.00 19.20 H new ATOM 0 HB THR A 134 38.450 1.996 54.469 1.00 20.91 H new ATOM 0 HG1 THR A 134 37.131 0.643 55.518 1.00 21.59 H new ATOM 0 HG21 THR A 134 38.019 0.829 52.457 1.00 20.58 H new ATOM 0 HG22 THR A 134 39.578 1.070 52.591 1.00 20.58 H new ATOM 0 HG23 THR A 134 38.964 -0.349 52.932 1.00 20.58 H new ATOM 1715 N GLN A 135 41.931 0.829 54.059 1.00 18.66 N ATOM 1716 CA GLN A 135 43.170 1.472 53.531 1.00 21.99 C ATOM 1717 C GLN A 135 42.821 2.034 52.165 1.00 21.26 C ATOM 1718 O GLN A 135 42.128 1.381 51.407 1.00 20.81 O ATOM 1719 CB GLN A 135 44.309 0.462 53.308 1.00 22.97 C ATOM 1720 CG GLN A 135 44.914 0.007 54.616 1.00 27.03 C ATOM 1721 CD GLN A 135 45.750 1.131 55.257 0.49 28.11 C ATOM 1722 OE1 GLN A 135 46.375 1.938 54.599 0.49 27.94 O ATOM 1723 NE2 GLN A 135 45.810 1.228 56.548 0.49 29.88 N ATOM 0 H GLN A 135 41.837 -0.001 53.854 1.00 18.66 H new ATOM 0 HA GLN A 135 43.467 2.137 54.172 1.00 21.99 H new ATOM 0 HB2 GLN A 135 43.970 -0.307 52.823 1.00 22.97 H new ATOM 0 HB3 GLN A 135 44.997 0.866 52.756 1.00 22.97 H new ATOM 0 HG2 GLN A 135 44.210 -0.265 55.225 1.00 27.03 H new ATOM 0 HG3 GLN A 135 45.473 -0.771 54.464 1.00 27.03 H new ATOM 0 HE21 GLN A 135 45.378 0.671 57.042 0.49 29.88 H new ATOM 0 HE22 GLN A 135 46.281 1.849 56.911 0.49 29.88 H new ATOM 1732 N CYS A 136 43.321 3.208 51.898 1.00 19.85 N ATOM 1733 CA CYS A 136 43.049 3.862 50.597 1.00 18.22 C ATOM 1734 C CYS A 136 44.367 4.371 50.006 1.00 17.83 C ATOM 1735 O CYS A 136 45.400 4.443 50.663 1.00 15.17 O ATOM 1736 CB CYS A 136 42.110 5.055 50.801 1.00 20.67 C ATOM 1737 SG CYS A 136 40.603 4.696 51.715 1.00 16.72 S ATOM 0 H CYS A 136 43.819 3.660 52.434 1.00 19.85 H new ATOM 0 HA CYS A 136 42.636 3.221 49.998 1.00 18.22 H new ATOM 0 HB2 CYS A 136 42.595 5.754 51.267 1.00 20.67 H new ATOM 0 HB3 CYS A 136 41.867 5.409 49.931 1.00 20.67 H new ATOM 1742 N LEU A 137 44.247 4.727 48.761 1.00 16.90 N ATOM 1743 CA LEU A 137 45.418 5.267 48.010 1.00 16.27 C ATOM 1744 C LEU A 137 44.999 6.695 47.649 1.00 16.15 C ATOM 1745 O LEU A 137 43.920 6.919 47.118 1.00 16.05 O ATOM 1746 CB LEU A 137 45.672 4.457 46.703 1.00 16.90 C ATOM 1747 CG LEU A 137 46.931 4.991 45.912 1.00 18.18 C ATOM 1748 CD1 LEU A 137 48.281 4.745 46.700 1.00 19.59 C ATOM 1749 CD2 LEU A 137 46.975 4.337 44.521 1.00 18.48 C ATOM 0 H LEU A 137 43.518 4.677 48.308 1.00 16.90 H new ATOM 0 HA LEU A 137 46.235 5.221 48.531 1.00 16.27 H new ATOM 0 HB2 LEU A 137 45.802 3.521 46.923 1.00 16.90 H new ATOM 0 HB3 LEU A 137 44.888 4.508 46.134 1.00 16.90 H new ATOM 0 HG LEU A 137 46.842 5.952 45.814 1.00 18.18 H new ATOM 0 HD11 LEU A 137 49.026 5.087 46.181 1.00 19.59 H new ATOM 0 HD12 LEU A 137 48.246 5.203 47.554 1.00 19.59 H new ATOM 0 HD13 LEU A 137 48.400 3.794 46.849 1.00 19.59 H new ATOM 0 HD21 LEU A 137 47.748 4.664 44.034 1.00 18.48 H new ATOM 0 HD22 LEU A 137 47.038 3.374 44.618 1.00 18.48 H new ATOM 0 HD23 LEU A 137 46.167 4.560 44.033 1.00 18.48 H new ATOM 1761 N ILE A 138 45.897 7.589 47.961 1.00 15.08 N ATOM 1762 CA ILE A 138 45.738 9.060 47.724 1.00 15.64 C ATOM 1763 C ILE A 138 46.931 9.433 46.807 1.00 15.91 C ATOM 1764 O ILE A 138 48.039 8.983 47.053 1.00 15.05 O ATOM 1765 CB ILE A 138 45.814 9.800 49.103 1.00 18.67 C ATOM 1766 CG1 ILE A 138 44.799 9.080 50.053 1.00 18.01 C ATOM 1767 CG2 ILE A 138 45.441 11.293 48.892 1.00 18.61 C ATOM 1768 CD1 ILE A 138 44.870 9.606 51.455 1.00 20.87 C ATOM 0 H ILE A 138 46.647 7.384 48.328 1.00 15.08 H new ATOM 0 HA ILE A 138 44.893 9.306 47.316 1.00 15.64 H new ATOM 0 HB ILE A 138 46.703 9.772 49.491 1.00 18.67 H new ATOM 0 HG12 ILE A 138 43.899 9.196 49.710 1.00 18.01 H new ATOM 0 HG13 ILE A 138 44.981 8.127 50.057 1.00 18.01 H new ATOM 0 HG21 ILE A 138 45.485 11.761 49.741 1.00 18.61 H new ATOM 0 HG22 ILE A 138 46.064 11.697 48.268 1.00 18.61 H new ATOM 0 HG23 ILE A 138 44.541 11.355 48.536 1.00 18.61 H new ATOM 0 HD11 ILE A 138 44.228 9.136 52.010 1.00 20.87 H new ATOM 0 HD12 ILE A 138 45.763 9.469 51.807 1.00 20.87 H new ATOM 0 HD13 ILE A 138 44.665 10.554 51.456 1.00 20.87 H new ATOM 1780 N SER A 139 46.698 10.230 45.795 1.00 15.50 N ATOM 1781 CA SER A 139 47.802 10.618 44.882 1.00 14.09 C ATOM 1782 C SER A 139 47.695 12.076 44.418 1.00 13.70 C ATOM 1783 O SER A 139 46.630 12.672 44.471 1.00 14.33 O ATOM 1784 CB SER A 139 47.792 9.630 43.682 1.00 13.88 C ATOM 1785 OG SER A 139 46.462 9.544 43.172 1.00 13.92 O ATOM 0 H SER A 139 45.930 10.565 45.602 1.00 15.50 H new ATOM 0 HA SER A 139 48.647 10.563 45.355 1.00 14.09 H new ATOM 0 HB2 SER A 139 48.399 9.936 42.990 1.00 13.88 H new ATOM 0 HB3 SER A 139 48.101 8.755 43.964 1.00 13.88 H new ATOM 0 HG SER A 139 46.082 8.867 43.493 1.00 13.92 H new ATOM 1791 N GLY A 140 48.796 12.610 43.965 1.00 13.10 N ATOM 1792 CA GLY A 140 48.805 14.000 43.494 1.00 12.12 C ATOM 1793 C GLY A 140 50.206 14.555 43.318 1.00 14.50 C ATOM 1794 O GLY A 140 51.184 13.932 43.697 1.00 15.16 O ATOM 0 H GLY A 140 49.552 12.203 43.915 1.00 13.10 H new ATOM 0 HA2 GLY A 140 48.333 14.053 42.649 1.00 12.12 H new ATOM 0 HA3 GLY A 140 48.320 14.554 44.125 1.00 12.12 H new ATOM 1798 N TRP A 141 50.223 15.732 42.744 1.00 15.30 N ATOM 1799 CA TRP A 141 51.464 16.524 42.433 1.00 15.77 C ATOM 1800 C TRP A 141 51.541 17.756 43.396 1.00 18.26 C ATOM 1801 O TRP A 141 52.160 18.769 43.113 1.00 17.20 O ATOM 1802 CB TRP A 141 51.396 17.030 40.977 1.00 15.18 C ATOM 1803 CG TRP A 141 51.559 15.957 39.887 1.00 15.39 C ATOM 1804 CD1 TRP A 141 52.771 15.497 39.451 1.00 15.22 C ATOM 1805 CD2 TRP A 141 50.567 15.328 39.190 1.00 15.64 C ATOM 1806 NE1 TRP A 141 52.429 14.632 38.499 1.00 16.25 N ATOM 1807 CE2 TRP A 141 51.139 14.452 38.248 1.00 15.85 C ATOM 1808 CE3 TRP A 141 49.170 15.444 39.248 1.00 16.40 C ATOM 1809 CZ2 TRP A 141 50.327 13.687 37.396 1.00 16.27 C ATOM 1810 CZ3 TRP A 141 48.349 14.690 38.385 1.00 16.11 C ATOM 1811 CH2 TRP A 141 48.927 13.815 37.454 1.00 17.40 C ATOM 0 H TRP A 141 49.502 16.135 42.503 1.00 15.30 H new ATOM 0 HA TRP A 141 52.246 15.962 42.549 1.00 15.77 H new ATOM 0 HB2 TRP A 141 50.543 17.473 40.846 1.00 15.18 H new ATOM 0 HB3 TRP A 141 52.086 17.700 40.853 1.00 15.18 H new ATOM 0 HD1 TRP A 141 53.622 15.730 39.746 1.00 15.22 H new ATOM 0 HE1 TRP A 141 53.029 14.201 38.058 1.00 16.25 H new ATOM 0 HE3 TRP A 141 48.782 16.024 39.862 1.00 16.40 H new ATOM 0 HZ2 TRP A 141 50.715 13.095 36.793 1.00 16.27 H new ATOM 0 HZ3 TRP A 141 47.424 14.773 38.433 1.00 16.11 H new ATOM 0 HH2 TRP A 141 48.388 13.322 36.878 1.00 17.40 H new ATOM 1822 N GLY A 142 50.908 17.628 44.532 1.00 17.99 N ATOM 1823 CA GLY A 142 50.929 18.751 45.529 1.00 19.31 C ATOM 1824 C GLY A 142 52.233 18.802 46.338 1.00 20.74 C ATOM 1825 O GLY A 142 53.074 17.927 46.227 1.00 19.40 O ATOM 0 H GLY A 142 50.463 16.932 44.771 1.00 17.99 H new ATOM 0 HA2 GLY A 142 50.808 19.594 45.064 1.00 19.31 H new ATOM 0 HA3 GLY A 142 50.179 18.653 46.137 1.00 19.31 H new ATOM 1829 N ASN A 143 52.338 19.827 47.126 1.00 20.43 N ATOM 1830 CA ASN A 143 53.535 20.050 47.986 1.00 22.01 C ATOM 1831 C ASN A 143 53.938 18.787 48.743 1.00 22.96 C ATOM 1832 O ASN A 143 53.053 18.026 49.157 1.00 19.73 O ATOM 1833 CB ASN A 143 53.193 21.179 48.969 1.00 22.69 C ATOM 1834 CG ASN A 143 54.417 21.664 49.742 1.00 24.66 C ATOM 1835 OD1 ASN A 143 55.565 21.377 49.441 1.00 27.46 O ATOM 1836 ND2 ASN A 143 54.200 22.424 50.765 1.00 25.72 N ATOM 0 H ASN A 143 51.733 20.434 47.201 1.00 20.43 H new ATOM 0 HA ASN A 143 54.293 20.290 47.430 1.00 22.01 H new ATOM 0 HB2 ASN A 143 52.805 21.923 48.482 1.00 22.69 H new ATOM 0 HB3 ASN A 143 52.520 20.868 49.595 1.00 22.69 H new ATOM 0 HD21 ASN A 143 54.861 22.723 51.227 1.00 25.72 H new ATOM 0 HD22 ASN A 143 53.394 22.631 50.984 1.00 25.72 H new ATOM 1843 N THR A 144 55.231 18.608 48.905 1.00 23.81 N ATOM 1844 CA THR A 144 55.744 17.410 49.630 1.00 25.98 C ATOM 1845 C THR A 144 56.393 17.738 50.944 1.00 27.06 C ATOM 1846 O THR A 144 56.852 16.812 51.584 1.00 28.62 O ATOM 1847 CB THR A 144 56.784 16.677 48.733 1.00 25.94 C ATOM 1848 OG1 THR A 144 57.712 17.700 48.348 1.00 27.41 O ATOM 1849 CG2 THR A 144 56.171 16.116 47.421 1.00 25.66 C ATOM 0 H THR A 144 55.838 19.145 48.617 1.00 23.81 H new ATOM 0 HA THR A 144 54.975 16.850 49.821 1.00 25.98 H new ATOM 0 HB THR A 144 57.162 15.929 49.221 1.00 25.94 H new ATOM 0 HG1 THR A 144 58.308 17.368 47.858 1.00 27.41 H new ATOM 0 HG21 THR A 144 56.862 15.672 46.905 1.00 25.66 H new ATOM 0 HG22 THR A 144 55.471 15.481 47.637 1.00 25.66 H new ATOM 0 HG23 THR A 144 55.797 16.844 46.901 1.00 25.66 H new ATOM 1857 N LYS A 145 56.421 18.983 51.330 1.00 30.47 N ATOM 1858 CA LYS A 145 57.061 19.357 52.637 1.00 36.04 C ATOM 1859 C LYS A 145 56.006 19.890 53.625 1.00 39.81 C ATOM 1860 O LYS A 145 55.124 20.631 53.254 1.00 40.79 O ATOM 1861 CB LYS A 145 58.156 20.464 52.361 1.00 38.09 C ATOM 1862 CG LYS A 145 59.289 19.909 51.425 1.00 38.62 C ATOM 1863 CD LYS A 145 60.291 18.984 52.196 0.17 38.22 C ATOM 1864 CE LYS A 145 61.176 18.167 51.207 0.17 38.64 C ATOM 1865 NZ LYS A 145 60.424 16.981 50.703 0.17 38.07 N ATOM 0 H LYS A 145 56.091 19.641 50.884 1.00 30.47 H new ATOM 0 HA LYS A 145 57.472 18.573 53.033 1.00 36.04 H new ATOM 0 HB2 LYS A 145 57.742 21.239 51.950 1.00 38.09 H new ATOM 0 HB3 LYS A 145 58.541 20.760 53.201 1.00 38.09 H new ATOM 0 HG2 LYS A 145 58.889 19.412 50.695 1.00 38.62 H new ATOM 0 HG3 LYS A 145 59.774 20.651 51.031 1.00 38.62 H new ATOM 0 HD2 LYS A 145 60.857 19.523 52.771 0.17 38.22 H new ATOM 0 HD3 LYS A 145 59.799 18.377 52.771 0.17 38.22 H new ATOM 0 HE2 LYS A 145 61.444 18.728 50.463 0.17 38.64 H new ATOM 0 HE3 LYS A 145 61.988 17.878 51.652 0.17 38.64 H new ATOM 0 HZ1 LYS A 145 60.937 16.521 50.140 0.17 38.07 H new ATOM 0 HZ2 LYS A 145 60.196 16.461 51.388 0.17 38.07 H new ATOM 0 HZ3 LYS A 145 59.689 17.253 50.280 0.17 38.07 H new ATOM 1879 N SER A 146 56.111 19.520 54.867 1.00 44.76 N ATOM 1880 CA SER A 146 55.128 19.993 55.902 1.00 47.29 C ATOM 1881 C SER A 146 55.518 21.446 56.251 1.00 49.13 C ATOM 1882 O SER A 146 54.704 22.346 56.241 1.00 51.93 O ATOM 1883 CB SER A 146 55.234 19.069 57.168 1.00 46.88 C ATOM 1884 OG SER A 146 56.306 18.169 56.860 0.06 46.89 O ATOM 0 H SER A 146 56.727 19.000 55.167 1.00 44.76 H new ATOM 0 HA SER A 146 54.214 19.957 55.579 1.00 47.29 H new ATOM 0 HB2 SER A 146 55.423 19.584 57.968 1.00 46.88 H new ATOM 0 HB3 SER A 146 54.405 18.591 57.328 1.00 46.88 H new ATOM 0 HG SER A 146 56.421 17.640 57.502 0.06 46.89 H new ATOM 1890 N SER A 147 56.768 21.616 56.552 0.61 50.60 N ATOM 1891 CA SER A 147 57.313 22.946 56.910 0.46 51.94 C ATOM 1892 C SER A 147 58.208 23.334 55.738 0.61 51.21 C ATOM 1893 O SER A 147 59.414 23.226 55.816 0.61 53.05 O ATOM 1894 CB SER A 147 58.116 22.784 58.207 0.46 53.78 C ATOM 1895 OG SER A 147 57.268 22.015 59.067 0.46 54.52 O ATOM 0 H SER A 147 57.348 20.981 56.563 0.61 50.60 H new ATOM 0 HA SER A 147 56.638 23.627 57.060 0.46 51.94 H new ATOM 0 HB2 SER A 147 58.958 22.331 58.046 0.46 53.78 H new ATOM 0 HB3 SER A 147 58.328 23.645 58.600 0.46 53.78 H new ATOM 0 HG SER A 147 57.655 21.889 59.802 0.46 54.52 H new ATOM 1901 N GLY A 148 57.657 23.768 54.651 0.64 49.85 N ATOM 1902 CA GLY A 148 58.549 24.140 53.512 0.64 48.17 C ATOM 1903 C GLY A 148 57.794 23.955 52.221 0.64 46.08 C ATOM 1904 O GLY A 148 56.639 23.576 52.242 0.64 44.13 O ATOM 0 H GLY A 148 56.813 23.865 54.518 0.64 49.85 H new ATOM 0 HA2 GLY A 148 58.841 25.061 53.601 0.64 48.17 H new ATOM 0 HA3 GLY A 148 59.347 23.588 53.516 0.64 48.17 H new ATOM 1908 N THR A 149 58.421 24.229 51.120 1.00 43.25 N ATOM 1909 CA THR A 149 57.712 24.061 49.836 0.47 41.52 C ATOM 1910 C THR A 149 58.579 23.286 48.843 1.00 41.41 C ATOM 1911 O THR A 149 59.719 23.680 48.645 1.00 43.83 O ATOM 1912 CB THR A 149 57.415 25.466 49.349 0.47 41.42 C ATOM 1913 OG1 THR A 149 56.711 26.119 50.400 0.47 40.38 O ATOM 1914 CG2 THR A 149 56.415 25.510 48.217 0.47 42.29 C ATOM 0 H THR A 149 59.233 24.507 51.065 1.00 43.25 H new ATOM 0 HA THR A 149 56.894 23.548 49.933 0.47 41.52 H new ATOM 0 HB THR A 149 58.262 25.853 49.076 0.47 41.42 H new ATOM 0 HG1 THR A 149 56.528 26.905 50.169 0.47 40.38 H new ATOM 0 HG21 THR A 149 56.267 26.431 47.951 0.47 42.29 H new ATOM 0 HG22 THR A 149 56.758 25.007 47.462 0.47 42.29 H new ATOM 0 HG23 THR A 149 55.577 25.120 48.510 0.47 42.29 H new ATOM 1922 N SER A 150 58.051 22.239 48.266 1.00 36.77 N ATOM 1923 CA SER A 150 58.823 21.449 47.283 1.00 32.34 C ATOM 1924 C SER A 150 57.694 20.822 46.540 1.00 29.71 C ATOM 1925 O SER A 150 56.921 20.057 47.095 1.00 26.43 O ATOM 1926 CB SER A 150 59.668 20.394 47.964 1.00 34.21 C ATOM 1927 OG SER A 150 60.556 19.849 46.980 1.00 36.38 O ATOM 0 H SER A 150 57.254 21.953 48.414 1.00 36.77 H new ATOM 0 HA SER A 150 59.451 21.957 46.747 1.00 32.34 H new ATOM 0 HB2 SER A 150 60.170 20.781 48.699 1.00 34.21 H new ATOM 0 HB3 SER A 150 59.107 19.698 48.339 1.00 34.21 H new ATOM 0 HG SER A 150 61.039 19.260 47.334 1.00 36.38 H new ATOM 1933 N TYR A 151 57.627 21.185 45.306 1.00 26.14 N ATOM 1934 CA TYR A 151 56.560 20.634 44.445 1.00 25.34 C ATOM 1935 C TYR A 151 57.224 19.621 43.546 1.00 23.89 C ATOM 1936 O TYR A 151 58.211 19.975 42.911 1.00 25.01 O ATOM 1937 CB TYR A 151 55.947 21.748 43.609 1.00 26.34 C ATOM 1938 CG TYR A 151 54.910 22.445 44.470 1.00 27.88 C ATOM 1939 CD1 TYR A 151 53.594 22.019 44.424 1.00 30.69 C ATOM 1940 CD2 TYR A 151 55.268 23.464 45.302 1.00 28.53 C ATOM 1941 CE1 TYR A 151 52.638 22.602 45.202 1.00 32.38 C ATOM 1942 CE2 TYR A 151 54.312 24.052 46.080 1.00 31.31 C ATOM 1943 CZ TYR A 151 52.991 23.629 46.042 1.00 33.70 C ATOM 1944 OH TYR A 151 52.022 24.187 46.855 1.00 35.05 O ATOM 0 H TYR A 151 58.164 21.737 44.923 1.00 26.14 H new ATOM 0 HA TYR A 151 55.852 20.230 44.970 1.00 25.34 H new ATOM 0 HB2 TYR A 151 56.630 22.375 43.322 1.00 26.34 H new ATOM 0 HB3 TYR A 151 55.538 21.387 42.807 1.00 26.34 H new ATOM 0 HD1 TYR A 151 53.358 21.324 43.853 1.00 30.69 H new ATOM 0 HD2 TYR A 151 56.151 23.755 45.339 1.00 28.53 H new ATOM 0 HE1 TYR A 151 51.757 22.307 45.164 1.00 32.38 H new ATOM 0 HE2 TYR A 151 54.551 24.750 46.646 1.00 31.31 H new ATOM 0 HH TYR A 151 52.363 24.800 47.318 1.00 35.05 H new ATOM 1954 N PRO A 152 56.692 18.428 43.476 1.00 21.61 N ATOM 1955 CA PRO A 152 57.275 17.337 42.655 1.00 23.01 C ATOM 1956 C PRO A 152 56.790 17.435 41.185 1.00 22.69 C ATOM 1957 O PRO A 152 55.794 18.077 40.896 1.00 23.30 O ATOM 1958 CB PRO A 152 56.795 16.069 43.344 1.00 22.96 C ATOM 1959 CG PRO A 152 55.361 16.459 43.772 1.00 21.23 C ATOM 1960 CD PRO A 152 55.474 17.959 44.210 1.00 20.79 C ATOM 0 HA PRO A 152 58.243 17.371 42.600 1.00 23.01 H new ATOM 0 HB2 PRO A 152 56.800 15.306 42.745 1.00 22.96 H new ATOM 0 HB3 PRO A 152 57.350 15.836 44.105 1.00 22.96 H new ATOM 0 HG2 PRO A 152 54.733 16.351 43.041 1.00 21.23 H new ATOM 0 HG3 PRO A 152 55.046 15.901 44.501 1.00 21.23 H new ATOM 0 HD2 PRO A 152 54.686 18.467 43.961 1.00 20.79 H new ATOM 0 HD3 PRO A 152 55.577 18.047 45.171 1.00 20.79 H new ATOM 1968 N ASP A 153 57.482 16.779 40.301 1.00 23.41 N ATOM 1969 CA ASP A 153 57.064 16.832 38.872 1.00 23.58 C ATOM 1970 C ASP A 153 56.416 15.529 38.517 1.00 20.01 C ATOM 1971 O ASP A 153 55.671 15.499 37.552 1.00 17.97 O ATOM 1972 CB ASP A 153 58.296 17.111 37.952 1.00 26.65 C ATOM 1973 CG ASP A 153 58.708 18.623 38.115 1.00 32.33 C ATOM 1974 OD1 ASP A 153 57.811 19.450 38.229 1.00 37.97 O ATOM 1975 OD2 ASP A 153 59.897 18.910 38.115 1.00 37.41 O ATOM 0 H ASP A 153 58.179 16.303 40.468 1.00 23.41 H new ATOM 0 HA ASP A 153 56.431 17.555 38.739 1.00 23.58 H new ATOM 0 HB2 ASP A 153 59.036 16.532 38.194 1.00 26.65 H new ATOM 0 HB3 ASP A 153 58.076 16.919 37.027 1.00 26.65 H new ATOM 1980 N VAL A 154 56.691 14.504 39.281 1.00 17.76 N ATOM 1981 CA VAL A 154 56.076 13.189 38.992 1.00 17.38 C ATOM 1982 C VAL A 154 55.072 12.954 40.127 1.00 15.58 C ATOM 1983 O VAL A 154 55.180 13.510 41.201 1.00 16.37 O ATOM 1984 CB VAL A 154 57.143 12.108 38.974 1.00 18.18 C ATOM 1985 CG1 VAL A 154 58.102 12.366 37.756 1.00 18.64 C ATOM 1986 CG2 VAL A 154 57.890 12.093 40.339 1.00 19.86 C ATOM 0 H VAL A 154 57.216 14.523 39.962 1.00 17.76 H new ATOM 0 HA VAL A 154 55.641 13.167 38.125 1.00 17.38 H new ATOM 0 HB VAL A 154 56.749 11.229 38.858 1.00 18.18 H new ATOM 0 HG11 VAL A 154 58.789 11.681 37.734 1.00 18.64 H new ATOM 0 HG12 VAL A 154 57.592 12.339 36.931 1.00 18.64 H new ATOM 0 HG13 VAL A 154 58.518 13.237 37.850 1.00 18.64 H new ATOM 0 HG21 VAL A 154 58.571 11.403 40.328 1.00 19.86 H new ATOM 0 HG22 VAL A 154 58.307 12.956 40.489 1.00 19.86 H new ATOM 0 HG23 VAL A 154 57.258 11.911 41.052 1.00 19.86 H new ATOM 1996 N LEU A 155 54.146 12.107 39.812 1.00 16.63 N ATOM 1997 CA LEU A 155 53.048 11.728 40.740 1.00 15.66 C ATOM 1998 C LEU A 155 53.528 10.986 42.010 1.00 16.01 C ATOM 1999 O LEU A 155 54.338 10.062 41.911 1.00 16.23 O ATOM 2000 CB LEU A 155 52.083 10.866 39.930 1.00 14.12 C ATOM 2001 CG LEU A 155 50.685 10.716 40.595 1.00 15.04 C ATOM 2002 CD1 LEU A 155 49.886 12.071 40.660 1.00 15.68 C ATOM 2003 CD2 LEU A 155 49.905 9.599 39.854 1.00 16.61 C ATOM 0 H LEU A 155 54.108 11.712 39.049 1.00 16.63 H new ATOM 0 HA LEU A 155 52.624 12.531 41.080 1.00 15.66 H new ATOM 0 HB2 LEU A 155 51.975 11.255 39.048 1.00 14.12 H new ATOM 0 HB3 LEU A 155 52.471 9.986 39.806 1.00 14.12 H new ATOM 0 HG LEU A 155 50.805 10.462 41.523 1.00 15.04 H new ATOM 0 HD11 LEU A 155 49.026 11.920 41.082 1.00 15.68 H new ATOM 0 HD12 LEU A 155 50.390 12.719 41.177 1.00 15.68 H new ATOM 0 HD13 LEU A 155 49.750 12.410 39.761 1.00 15.68 H new ATOM 0 HD21 LEU A 155 49.029 9.493 40.258 1.00 16.61 H new ATOM 0 HD22 LEU A 155 49.803 9.840 38.920 1.00 16.61 H new ATOM 0 HD23 LEU A 155 50.394 8.764 39.920 1.00 16.61 H new ATOM 2015 N LYS A 156 52.975 11.429 43.118 1.00 16.41 N ATOM 2016 CA LYS A 156 53.283 10.860 44.457 1.00 16.09 C ATOM 2017 C LYS A 156 52.010 10.193 44.908 1.00 15.81 C ATOM 2018 O LYS A 156 50.926 10.652 44.591 1.00 15.58 O ATOM 2019 CB LYS A 156 53.644 11.965 45.423 1.00 18.40 C ATOM 2020 CG LYS A 156 54.919 12.667 44.933 1.00 22.49 C ATOM 2021 CD LYS A 156 56.130 11.751 45.148 1.00 25.29 C ATOM 2022 CE LYS A 156 57.317 12.275 44.330 1.00 28.49 C ATOM 2023 NZ LYS A 156 58.561 11.649 44.874 1.00 31.25 N ATOM 0 H LYS A 156 52.404 12.072 43.137 1.00 16.41 H new ATOM 0 HA LYS A 156 54.031 10.243 44.422 1.00 16.09 H new ATOM 0 HB2 LYS A 156 52.916 12.602 45.489 1.00 18.40 H new ATOM 0 HB3 LYS A 156 53.783 11.600 46.311 1.00 18.40 H new ATOM 0 HG2 LYS A 156 54.835 12.890 43.993 1.00 22.49 H new ATOM 0 HG3 LYS A 156 55.044 13.501 45.413 1.00 22.49 H new ATOM 0 HD2 LYS A 156 56.362 11.720 46.089 1.00 25.29 H new ATOM 0 HD3 LYS A 156 55.914 10.844 44.879 1.00 25.29 H new ATOM 0 HE2 LYS A 156 57.207 12.053 43.392 1.00 28.49 H new ATOM 0 HE3 LYS A 156 57.370 13.242 44.389 1.00 28.49 H new ATOM 0 HZ1 LYS A 156 59.250 12.197 44.745 1.00 31.25 H new ATOM 0 HZ2 LYS A 156 58.461 11.499 45.746 1.00 31.25 H new ATOM 0 HZ3 LYS A 156 58.713 10.878 44.456 1.00 31.25 H new ATOM 2037 N CYS A 157 52.242 9.152 45.651 1.00 16.81 N ATOM 2038 CA CYS A 157 51.219 8.256 46.254 1.00 16.29 C ATOM 2039 C CYS A 157 51.333 8.141 47.753 1.00 17.29 C ATOM 2040 O CYS A 157 52.391 8.376 48.319 1.00 20.77 O ATOM 2041 CB CYS A 157 51.374 6.861 45.647 1.00 15.33 C ATOM 2042 SG CYS A 157 50.621 6.699 44.019 1.00 19.84 S ATOM 0 H CYS A 157 53.043 8.909 45.847 1.00 16.81 H new ATOM 0 HA CYS A 157 50.351 8.644 46.061 1.00 16.29 H new ATOM 0 HB2 CYS A 157 52.318 6.647 45.582 1.00 15.33 H new ATOM 0 HB3 CYS A 157 50.977 6.209 46.246 1.00 15.33 H new ATOM 2047 N LEU A 158 50.234 7.788 48.362 1.00 17.43 N ATOM 2048 CA LEU A 158 50.218 7.634 49.833 1.00 18.85 C ATOM 2049 C LEU A 158 49.110 6.660 50.185 1.00 18.59 C ATOM 2050 O LEU A 158 47.992 6.800 49.725 1.00 19.35 O ATOM 2051 CB LEU A 158 49.957 9.024 50.467 1.00 19.45 C ATOM 2052 CG LEU A 158 49.666 8.948 51.966 1.00 20.22 C ATOM 2053 CD1 LEU A 158 50.895 8.527 52.746 1.00 22.12 C ATOM 2054 CD2 LEU A 158 49.245 10.327 52.453 1.00 21.35 C ATOM 0 H LEU A 158 49.485 7.630 47.970 1.00 17.43 H new ATOM 0 HA LEU A 158 51.062 7.293 50.169 1.00 18.85 H new ATOM 0 HB2 LEU A 158 50.730 9.592 50.320 1.00 19.45 H new ATOM 0 HB3 LEU A 158 49.207 9.444 50.017 1.00 19.45 H new ATOM 0 HG LEU A 158 48.965 8.292 52.107 1.00 20.22 H new ATOM 0 HD11 LEU A 158 50.681 8.488 53.691 1.00 22.12 H new ATOM 0 HD12 LEU A 158 51.186 7.652 52.444 1.00 22.12 H new ATOM 0 HD13 LEU A 158 51.606 9.171 52.603 1.00 22.12 H new ATOM 0 HD21 LEU A 158 49.057 10.291 53.404 1.00 21.35 H new ATOM 0 HD22 LEU A 158 49.961 10.961 52.289 1.00 21.35 H new ATOM 0 HD23 LEU A 158 48.448 10.609 51.977 1.00 21.35 H new ATOM 2066 N LYS A 159 49.420 5.697 50.980 1.00 19.65 N ATOM 2067 CA LYS A 159 48.379 4.733 51.373 1.00 21.99 C ATOM 2068 C LYS A 159 48.024 5.252 52.788 1.00 22.01 C ATOM 2069 O LYS A 159 48.926 5.520 53.566 1.00 20.26 O ATOM 2070 CB LYS A 159 48.928 3.356 51.480 1.00 23.58 C ATOM 2071 CG LYS A 159 49.042 2.772 50.063 1.00 28.72 C ATOM 2072 CD LYS A 159 49.795 1.401 50.209 1.00 33.55 C ATOM 2073 CE LYS A 159 49.696 0.546 48.913 1.00 35.71 C ATOM 2074 NZ LYS A 159 50.820 0.819 47.969 1.00 38.59 N ATOM 0 H LYS A 159 50.201 5.559 51.313 1.00 19.65 H new ATOM 0 HA LYS A 159 47.641 4.678 50.746 1.00 21.99 H new ATOM 0 HB2 LYS A 159 49.797 3.371 51.910 1.00 23.58 H new ATOM 0 HB3 LYS A 159 48.350 2.803 52.028 1.00 23.58 H new ATOM 0 HG2 LYS A 159 48.164 2.644 49.670 1.00 28.72 H new ATOM 0 HG3 LYS A 159 49.530 3.374 49.479 1.00 28.72 H new ATOM 0 HD2 LYS A 159 50.728 1.565 50.418 1.00 33.55 H new ATOM 0 HD3 LYS A 159 49.421 0.904 50.953 1.00 33.55 H new ATOM 0 HE2 LYS A 159 49.695 -0.395 49.148 1.00 35.71 H new ATOM 0 HE3 LYS A 159 48.853 0.729 48.470 1.00 35.71 H new ATOM 0 HZ1 LYS A 159 50.690 0.367 47.213 1.00 38.59 H new ATOM 0 HZ2 LYS A 159 50.854 1.690 47.791 1.00 38.59 H new ATOM 0 HZ3 LYS A 159 51.588 0.562 48.339 1.00 38.59 H new ATOM 2088 N ALA A 160 46.761 5.403 53.071 1.00 19.68 N ATOM 2089 CA ALA A 160 46.357 5.893 54.413 1.00 20.13 C ATOM 2090 C ALA A 160 44.993 5.285 54.751 1.00 18.33 C ATOM 2091 O ALA A 160 44.185 5.050 53.882 1.00 17.98 O ATOM 2092 CB ALA A 160 46.261 7.439 54.403 1.00 19.49 C ATOM 0 H ALA A 160 46.113 5.238 52.530 1.00 19.68 H new ATOM 0 HA ALA A 160 47.013 5.632 55.078 1.00 20.13 H new ATOM 0 HB1 ALA A 160 45.997 7.753 55.282 1.00 19.49 H new ATOM 0 HB2 ALA A 160 47.125 7.816 54.172 1.00 19.49 H new ATOM 0 HB3 ALA A 160 45.601 7.718 53.749 1.00 19.49 H new ATOM 2098 N PRO A 161 44.730 5.024 55.993 1.00 19.51 N ATOM 2099 CA PRO A 161 43.409 4.510 56.394 1.00 19.52 C ATOM 2100 C PRO A 161 42.409 5.600 56.749 1.00 17.83 C ATOM 2101 O PRO A 161 42.764 6.708 57.125 1.00 17.38 O ATOM 2102 CB PRO A 161 43.714 3.650 57.582 1.00 18.81 C ATOM 2103 CG PRO A 161 44.762 4.585 58.292 1.00 17.81 C ATOM 2104 CD PRO A 161 45.652 5.139 57.153 1.00 18.32 C ATOM 0 HA PRO A 161 42.981 4.035 55.665 1.00 19.52 H new ATOM 0 HB2 PRO A 161 42.933 3.477 58.131 1.00 18.81 H new ATOM 0 HB3 PRO A 161 44.085 2.788 57.336 1.00 18.81 H new ATOM 0 HG2 PRO A 161 44.321 5.303 58.773 1.00 17.81 H new ATOM 0 HG3 PRO A 161 45.289 4.092 58.940 1.00 17.81 H new ATOM 0 HD2 PRO A 161 45.927 6.055 57.314 1.00 18.32 H new ATOM 0 HD3 PRO A 161 46.461 4.617 57.032 1.00 18.32 H new ATOM 2112 N ILE A 162 41.185 5.196 56.639 1.00 17.63 N ATOM 2113 CA ILE A 162 40.097 6.115 56.968 1.00 17.64 C ATOM 2114 C ILE A 162 40.124 6.059 58.480 1.00 16.56 C ATOM 2115 O ILE A 162 40.283 5.004 59.060 1.00 18.60 O ATOM 2116 CB ILE A 162 38.797 5.560 56.414 1.00 18.80 C ATOM 2117 CG1 ILE A 162 38.857 5.603 54.862 1.00 20.25 C ATOM 2118 CG2 ILE A 162 37.613 6.384 56.925 1.00 18.35 C ATOM 2119 CD1 ILE A 162 37.563 5.046 54.241 1.00 22.34 C ATOM 0 H ILE A 162 40.943 4.412 56.382 1.00 17.63 H new ATOM 0 HA ILE A 162 40.179 7.013 56.612 1.00 17.64 H new ATOM 0 HB ILE A 162 38.678 4.644 56.709 1.00 18.80 H new ATOM 0 HG12 ILE A 162 38.994 6.517 54.566 1.00 20.25 H new ATOM 0 HG13 ILE A 162 39.617 5.087 54.550 1.00 20.25 H new ATOM 0 HG21 ILE A 162 36.788 6.022 56.566 1.00 18.35 H new ATOM 0 HG22 ILE A 162 37.587 6.347 57.894 1.00 18.35 H new ATOM 0 HG23 ILE A 162 37.713 7.306 56.639 1.00 18.35 H new ATOM 0 HD11 ILE A 162 37.626 5.084 53.274 1.00 22.34 H new ATOM 0 HD12 ILE A 162 37.440 4.125 54.521 1.00 22.34 H new ATOM 0 HD13 ILE A 162 36.807 5.577 54.537 1.00 22.34 H new ATOM 2131 N LEU A 163 39.944 7.184 59.073 1.00 17.96 N ATOM 2132 CA LEU A 163 39.952 7.285 60.561 1.00 18.45 C ATOM 2133 C LEU A 163 38.487 7.276 61.037 1.00 19.56 C ATOM 2134 O LEU A 163 37.545 7.440 60.283 1.00 19.59 O ATOM 2135 CB LEU A 163 40.623 8.609 61.004 1.00 19.47 C ATOM 2136 CG LEU A 163 42.136 8.701 60.577 1.00 23.60 C ATOM 2137 CD1 LEU A 163 42.661 10.087 61.040 1.00 25.27 C ATOM 2138 CD2 LEU A 163 43.031 7.595 61.280 1.00 23.44 C ATOM 0 H LEU A 163 39.811 7.929 58.665 1.00 17.96 H new ATOM 0 HA LEU A 163 40.448 6.544 60.943 1.00 18.45 H new ATOM 0 HB2 LEU A 163 40.137 9.356 60.621 1.00 19.47 H new ATOM 0 HB3 LEU A 163 40.558 8.693 61.968 1.00 19.47 H new ATOM 0 HG LEU A 163 42.192 8.571 59.617 1.00 23.60 H new ATOM 0 HD11 LEU A 163 43.594 10.179 60.792 1.00 25.27 H new ATOM 0 HD12 LEU A 163 42.143 10.788 60.614 1.00 25.27 H new ATOM 0 HD13 LEU A 163 42.574 10.161 62.003 1.00 25.27 H new ATOM 0 HD21 LEU A 163 43.951 7.690 60.988 1.00 23.44 H new ATOM 0 HD22 LEU A 163 42.984 7.705 62.243 1.00 23.44 H new ATOM 0 HD23 LEU A 163 42.705 6.714 61.039 1.00 23.44 H new ATOM 2150 N SER A 164 38.339 7.082 62.303 1.00 20.19 N ATOM 2151 CA SER A 164 36.980 7.049 62.908 1.00 22.07 C ATOM 2152 C SER A 164 36.426 8.461 62.908 1.00 19.52 C ATOM 2153 O SER A 164 37.191 9.412 62.994 1.00 17.30 O ATOM 2154 CB SER A 164 37.050 6.549 64.401 1.00 23.15 C ATOM 2155 OG SER A 164 37.896 7.445 65.149 1.00 25.76 O ATOM 0 H SER A 164 38.986 6.964 62.857 1.00 20.19 H new ATOM 0 HA SER A 164 36.419 6.446 62.396 1.00 22.07 H new ATOM 0 HB2 SER A 164 36.161 6.523 64.789 1.00 23.15 H new ATOM 0 HB3 SER A 164 37.402 5.646 64.437 1.00 23.15 H new ATOM 0 HG SER A 164 37.940 7.188 65.948 1.00 25.76 H new ATOM 2161 N ASP A 165 35.143 8.583 62.837 1.00 21.74 N ATOM 2162 CA ASP A 165 34.643 9.969 62.847 1.00 25.90 C ATOM 2163 C ASP A 165 34.944 10.620 64.178 1.00 22.70 C ATOM 2164 O ASP A 165 35.081 11.827 64.199 1.00 22.78 O ATOM 2165 CB ASP A 165 33.127 10.006 62.556 1.00 31.23 C ATOM 2166 CG ASP A 165 32.903 9.741 61.042 1.00 37.06 C ATOM 2167 OD1 ASP A 165 33.601 10.359 60.245 1.00 40.37 O ATOM 2168 OD2 ASP A 165 32.038 8.931 60.753 1.00 39.92 O ATOM 0 H ASP A 165 34.562 7.951 62.785 1.00 21.74 H new ATOM 0 HA ASP A 165 35.096 10.465 62.147 1.00 25.90 H new ATOM 0 HB2 ASP A 165 32.667 9.337 63.086 1.00 31.23 H new ATOM 0 HB3 ASP A 165 32.758 10.868 62.805 1.00 31.23 H new ATOM 2173 N SER A 166 35.056 9.895 65.255 1.00 22.79 N ATOM 2174 CA SER A 166 35.363 10.624 66.523 1.00 23.47 C ATOM 2175 C SER A 166 36.762 11.198 66.513 1.00 22.48 C ATOM 2176 O SER A 166 36.931 12.291 67.017 1.00 21.96 O ATOM 2177 CB SER A 166 35.224 9.682 67.777 1.00 27.24 C ATOM 2178 OG SER A 166 35.518 8.365 67.295 1.00 32.83 O ATOM 0 H SER A 166 34.971 9.041 65.309 1.00 22.79 H new ATOM 0 HA SER A 166 34.718 11.346 66.583 1.00 23.47 H new ATOM 0 HB2 SER A 166 35.839 9.943 68.480 1.00 27.24 H new ATOM 0 HB3 SER A 166 34.330 9.726 68.151 1.00 27.24 H new ATOM 0 HG SER A 166 34.804 7.982 67.073 1.00 32.83 H new ATOM 2184 N SER A 167 37.762 10.530 65.975 1.00 22.59 N ATOM 2185 CA SER A 167 39.091 11.174 66.013 1.00 22.18 C ATOM 2186 C SER A 167 39.059 12.317 65.019 1.00 18.81 C ATOM 2187 O SER A 167 39.724 13.309 65.207 1.00 21.74 O ATOM 2188 CB SER A 167 40.169 10.109 65.704 1.00 25.70 C ATOM 2189 OG SER A 167 39.698 9.338 64.626 1.00 33.38 O ATOM 0 H SER A 167 37.718 9.756 65.604 1.00 22.59 H new ATOM 0 HA SER A 167 39.312 11.540 66.884 1.00 22.18 H new ATOM 0 HB2 SER A 167 41.013 10.532 65.479 1.00 25.70 H new ATOM 0 HB3 SER A 167 40.330 9.550 66.480 1.00 25.70 H new ATOM 0 HG SER A 167 39.236 8.700 64.918 1.00 33.38 H new ATOM 2195 N CYS A 168 38.289 12.173 63.978 1.00 18.14 N ATOM 2196 CA CYS A 168 38.189 13.263 62.953 1.00 17.79 C ATOM 2197 C CYS A 168 37.517 14.496 63.628 1.00 17.36 C ATOM 2198 O CYS A 168 38.013 15.599 63.588 1.00 16.92 O ATOM 2199 CB CYS A 168 37.348 12.727 61.775 1.00 18.95 C ATOM 2200 SG CYS A 168 37.225 13.806 60.331 1.00 17.71 S ATOM 0 H CYS A 168 37.810 11.477 63.817 1.00 18.14 H new ATOM 0 HA CYS A 168 39.057 13.533 62.615 1.00 17.79 H new ATOM 0 HB2 CYS A 168 37.725 11.879 61.492 1.00 18.95 H new ATOM 0 HB3 CYS A 168 36.451 12.545 62.098 1.00 18.95 H new ATOM 2205 N LYS A 169 36.391 14.298 64.271 1.00 19.09 N ATOM 2206 CA LYS A 169 35.683 15.435 64.953 1.00 18.72 C ATOM 2207 C LYS A 169 36.458 15.974 66.134 1.00 18.13 C ATOM 2208 O LYS A 169 36.368 17.163 66.381 1.00 18.13 O ATOM 2209 CB LYS A 169 34.300 14.973 65.416 1.00 19.61 C ATOM 2210 CG LYS A 169 33.401 14.784 64.150 1.00 20.24 C ATOM 2211 CD LYS A 169 32.102 14.050 64.515 1.00 21.46 C ATOM 2212 CE LYS A 169 31.178 13.939 63.286 1.00 23.84 C ATOM 2213 NZ LYS A 169 30.063 13.015 63.665 1.00 27.31 N ATOM 0 H LYS A 169 36.000 13.535 64.342 1.00 19.09 H new ATOM 0 HA LYS A 169 35.601 16.154 64.307 1.00 18.72 H new ATOM 0 HB2 LYS A 169 34.369 14.141 65.910 1.00 19.61 H new ATOM 0 HB3 LYS A 169 33.908 15.627 66.015 1.00 19.61 H new ATOM 0 HG2 LYS A 169 33.192 15.649 63.763 1.00 20.24 H new ATOM 0 HG3 LYS A 169 33.884 14.281 63.476 1.00 20.24 H new ATOM 0 HD2 LYS A 169 32.309 13.164 64.852 1.00 21.46 H new ATOM 0 HD3 LYS A 169 31.646 14.525 65.227 1.00 21.46 H new ATOM 0 HE2 LYS A 169 30.833 14.810 63.035 1.00 23.84 H new ATOM 0 HE3 LYS A 169 31.664 13.596 62.520 1.00 23.84 H new ATOM 0 HZ1 LYS A 169 29.505 12.925 62.977 1.00 27.31 H new ATOM 0 HZ2 LYS A 169 30.397 12.219 63.882 1.00 27.31 H new ATOM 0 HZ3 LYS A 169 29.623 13.351 64.362 1.00 27.31 H new ATOM 2227 N SER A 170 37.198 15.138 66.833 1.00 19.82 N ATOM 2228 CA SER A 170 37.957 15.733 67.996 1.00 19.65 C ATOM 2229 C SER A 170 39.092 16.608 67.459 1.00 21.71 C ATOM 2230 O SER A 170 39.464 17.550 68.126 1.00 20.84 O ATOM 2231 CB ASER A 170 38.521 14.620 68.919 0.23 19.11 C ATOM 2232 CB BSER A 170 38.572 14.661 68.824 0.53 19.88 C ATOM 2233 OG ASER A 170 39.008 13.555 68.117 0.23 18.40 O ATOM 2234 OG BSER A 170 37.475 13.848 69.219 0.53 21.70 O ATOM 0 H SER A 170 37.292 14.294 66.695 1.00 19.82 H new ATOM 0 HA SER A 170 37.351 16.275 68.525 1.00 19.65 H new ATOM 0 HB2ASER A 170 39.234 14.974 69.474 0.23 19.88 H new ATOM 0 HB2BSER A 170 39.225 14.153 68.317 0.53 19.88 H new ATOM 0 HB3ASER A 170 37.829 14.299 69.518 0.23 19.88 H new ATOM 0 HB3BSER A 170 39.034 15.029 69.593 0.53 19.88 H new ATOM 0 HG ASER A 170 38.365 13.076 67.867 0.23 21.70 H new ATOM 0 HG BSER A 170 37.283 13.316 68.598 0.53 21.70 H new ATOM 2243 N ALA A 171 39.592 16.281 66.278 1.00 21.45 N ATOM 2244 CA ALA A 171 40.696 17.100 65.708 1.00 21.30 C ATOM 2245 C ALA A 171 40.135 18.438 65.191 1.00 21.43 C ATOM 2246 O ALA A 171 40.790 19.464 65.273 1.00 22.45 O ATOM 2247 CB ALA A 171 41.365 16.321 64.566 1.00 21.97 C ATOM 0 H ALA A 171 39.331 15.620 65.794 1.00 21.45 H new ATOM 0 HA ALA A 171 41.356 17.286 66.394 1.00 21.30 H new ATOM 0 HB1 ALA A 171 42.086 16.851 64.191 1.00 21.97 H new ATOM 0 HB2 ALA A 171 41.722 15.487 64.909 1.00 21.97 H new ATOM 0 HB3 ALA A 171 40.710 16.132 63.876 1.00 21.97 H new ATOM 2253 N TYR A 172 38.934 18.393 64.682 1.00 19.96 N ATOM 2254 CA TYR A 172 38.289 19.617 64.132 1.00 20.52 C ATOM 2255 C TYR A 172 36.850 19.873 64.703 1.00 22.08 C ATOM 2256 O TYR A 172 35.870 19.687 64.003 1.00 19.26 O ATOM 2257 CB TYR A 172 38.212 19.478 62.592 1.00 20.67 C ATOM 2258 CG TYR A 172 39.582 19.326 61.885 1.00 21.03 C ATOM 2259 CD1 TYR A 172 39.960 18.104 61.374 1.00 20.61 C ATOM 2260 CD2 TYR A 172 40.437 20.396 61.732 1.00 20.28 C ATOM 2261 CE1 TYR A 172 41.153 17.944 60.718 1.00 20.28 C ATOM 2262 CE2 TYR A 172 41.633 20.234 61.078 1.00 19.28 C ATOM 2263 CZ TYR A 172 41.998 19.004 60.558 1.00 18.61 C ATOM 2264 OH TYR A 172 43.185 18.824 59.880 1.00 19.47 O ATOM 0 H TYR A 172 38.455 17.681 64.633 1.00 19.96 H new ATOM 0 HA TYR A 172 38.830 20.377 64.397 1.00 20.52 H new ATOM 0 HB2 TYR A 172 37.664 18.708 62.376 1.00 20.67 H new ATOM 0 HB3 TYR A 172 37.761 20.257 62.232 1.00 20.67 H new ATOM 0 HD1 TYR A 172 39.394 17.373 61.476 1.00 20.61 H new ATOM 0 HD2 TYR A 172 40.203 21.229 62.072 1.00 20.28 H new ATOM 0 HE1 TYR A 172 41.388 17.110 60.381 1.00 20.28 H new ATOM 0 HE2 TYR A 172 42.206 20.960 60.983 1.00 19.28 H new ATOM 0 HH TYR A 172 43.187 18.068 59.514 1.00 19.47 H new ATOM 2274 N PRO A 173 36.738 20.288 65.933 1.00 22.47 N ATOM 2275 CA PRO A 173 35.422 20.417 66.638 1.00 21.76 C ATOM 2276 C PRO A 173 34.527 21.429 65.950 1.00 19.26 C ATOM 2277 O PRO A 173 34.962 22.531 65.693 1.00 20.73 O ATOM 2278 CB PRO A 173 35.775 20.845 68.091 1.00 23.28 C ATOM 2279 CG PRO A 173 37.237 20.334 68.223 1.00 26.11 C ATOM 2280 CD PRO A 173 37.870 20.663 66.803 1.00 24.77 C ATOM 0 HA PRO A 173 34.922 19.586 66.628 1.00 21.76 H new ATOM 0 HB2 PRO A 173 35.712 21.805 68.213 1.00 23.28 H new ATOM 0 HB3 PRO A 173 35.186 20.437 68.744 1.00 23.28 H new ATOM 0 HG2 PRO A 173 37.711 20.785 68.939 1.00 26.11 H new ATOM 0 HG3 PRO A 173 37.268 19.384 68.417 1.00 26.11 H new ATOM 0 HD2 PRO A 173 38.115 21.597 66.712 1.00 24.77 H new ATOM 0 HD3 PRO A 173 38.667 20.141 66.621 1.00 24.77 H new ATOM 2288 N GLY A 174 33.342 21.015 65.668 1.00 19.99 N ATOM 2289 CA GLY A 174 32.292 21.852 65.005 1.00 20.43 C ATOM 2290 C GLY A 174 32.578 22.139 63.539 1.00 20.12 C ATOM 2291 O GLY A 174 31.925 22.986 62.957 1.00 22.41 O ATOM 0 H GLY A 174 33.075 20.217 65.846 1.00 19.99 H new ATOM 0 HA2 GLY A 174 31.436 21.401 65.078 1.00 20.43 H new ATOM 0 HA3 GLY A 174 32.211 22.693 65.482 1.00 20.43 H new ATOM 2295 N GLN A 175 33.515 21.430 62.967 1.00 19.44 N ATOM 2296 CA GLN A 175 33.859 21.673 61.543 1.00 19.41 C ATOM 2297 C GLN A 175 33.604 20.476 60.616 1.00 20.11 C ATOM 2298 O GLN A 175 33.662 20.628 59.404 1.00 21.40 O ATOM 2299 CB GLN A 175 35.341 22.054 61.421 1.00 20.83 C ATOM 2300 CG GLN A 175 35.699 23.362 62.163 1.00 24.77 C ATOM 2301 CD GLN A 175 37.184 23.679 61.868 1.00 27.49 C ATOM 2302 OE1 GLN A 175 38.055 23.019 62.394 1.00 33.39 O ATOM 2303 NE2 GLN A 175 37.532 24.626 61.046 1.00 28.43 N ATOM 0 H GLN A 175 33.969 20.811 63.354 1.00 19.44 H new ATOM 0 HA GLN A 175 33.272 22.391 61.258 1.00 19.41 H new ATOM 0 HB2 GLN A 175 35.884 21.331 61.772 1.00 20.83 H new ATOM 0 HB3 GLN A 175 35.568 22.149 60.483 1.00 20.83 H new ATOM 0 HG2 GLN A 175 35.130 24.089 61.865 1.00 24.77 H new ATOM 0 HG3 GLN A 175 35.555 23.262 63.117 1.00 24.77 H new ATOM 0 HE21 GLN A 175 36.930 25.105 60.663 1.00 28.43 H new ATOM 0 HE22 GLN A 175 38.364 24.772 60.886 1.00 28.43 H new ATOM 2312 N ILE A 176 33.331 19.334 61.165 1.00 18.25 N ATOM 2313 CA ILE A 176 33.107 18.153 60.277 1.00 16.64 C ATOM 2314 C ILE A 176 31.626 17.854 60.093 1.00 17.16 C ATOM 2315 O ILE A 176 30.911 17.756 61.075 1.00 18.47 O ATOM 2316 CB ILE A 176 33.840 16.940 60.921 1.00 17.45 C ATOM 2317 CG1 ILE A 176 35.357 17.297 61.132 1.00 17.84 C ATOM 2318 CG2 ILE A 176 33.719 15.642 60.058 1.00 19.14 C ATOM 2319 CD1 ILE A 176 36.073 17.738 59.786 1.00 17.59 C ATOM 0 H ILE A 176 33.265 19.187 62.010 1.00 18.25 H new ATOM 0 HA ILE A 176 33.458 18.338 59.392 1.00 16.64 H new ATOM 0 HB ILE A 176 33.413 16.760 61.773 1.00 17.45 H new ATOM 0 HG12 ILE A 176 35.430 18.013 61.783 1.00 17.84 H new ATOM 0 HG13 ILE A 176 35.818 16.528 61.503 1.00 17.84 H new ATOM 0 HG21 ILE A 176 34.189 14.916 60.497 1.00 19.14 H new ATOM 0 HG22 ILE A 176 32.783 15.406 59.957 1.00 19.14 H new ATOM 0 HG23 ILE A 176 34.109 15.797 59.184 1.00 19.14 H new ATOM 0 HD11 ILE A 176 37.003 17.947 59.967 1.00 17.59 H new ATOM 0 HD12 ILE A 176 36.024 17.015 59.141 1.00 17.59 H new ATOM 0 HD13 ILE A 176 35.630 18.522 59.426 1.00 17.59 H new ATOM 2331 N THR A 177 31.197 17.724 58.869 1.00 14.24 N ATOM 2332 CA THR A 177 29.775 17.414 58.606 1.00 15.00 C ATOM 2333 C THR A 177 29.722 15.955 58.122 1.00 15.41 C ATOM 2334 O THR A 177 30.731 15.278 57.966 1.00 15.32 O ATOM 2335 CB THR A 177 29.210 18.318 57.469 1.00 15.77 C ATOM 2336 OG1 THR A 177 29.908 17.956 56.261 1.00 14.67 O ATOM 2337 CG2 THR A 177 29.506 19.793 57.781 1.00 16.59 C ATOM 0 H THR A 177 31.688 17.806 58.168 1.00 14.24 H new ATOM 0 HA THR A 177 29.252 17.561 59.409 1.00 15.00 H new ATOM 0 HB THR A 177 28.251 18.199 57.382 1.00 15.77 H new ATOM 0 HG1 THR A 177 30.211 18.648 55.894 1.00 14.67 H new ATOM 0 HG21 THR A 177 29.153 20.351 57.071 1.00 16.59 H new ATOM 0 HG22 THR A 177 29.088 20.036 58.622 1.00 16.59 H new ATOM 0 HG23 THR A 177 30.465 19.924 57.848 1.00 16.59 H new ATOM 2345 N SER A 178 28.536 15.485 57.887 1.00 15.60 N ATOM 2346 CA SER A 178 28.334 14.094 57.406 1.00 19.71 C ATOM 2347 C SER A 178 28.898 13.918 55.965 1.00 16.68 C ATOM 2348 O SER A 178 28.987 12.795 55.492 1.00 18.68 O ATOM 2349 CB SER A 178 26.817 13.795 57.426 1.00 22.75 C ATOM 2350 OG SER A 178 26.288 14.883 56.662 1.00 28.94 O ATOM 0 H SER A 178 27.811 15.935 57.991 1.00 15.60 H new ATOM 0 HA SER A 178 28.808 13.476 57.984 1.00 19.71 H new ATOM 0 HB2 SER A 178 26.611 12.936 57.025 1.00 22.75 H new ATOM 0 HB3 SER A 178 26.462 13.779 58.329 1.00 22.75 H new ATOM 0 HG SER A 178 25.453 14.810 56.612 1.00 28.94 H new ATOM 2356 N ASN A 179 29.254 15.016 55.316 1.00 15.15 N ATOM 2357 CA ASN A 179 29.795 14.913 53.919 1.00 14.93 C ATOM 2358 C ASN A 179 31.314 14.920 53.880 1.00 13.82 C ATOM 2359 O ASN A 179 31.905 15.138 52.838 1.00 14.94 O ATOM 2360 CB ASN A 179 29.312 16.096 53.042 1.00 13.74 C ATOM 2361 CG ASN A 179 27.802 16.044 53.003 1.00 15.39 C ATOM 2362 OD1 ASN A 179 27.183 15.027 52.787 1.00 16.98 O ATOM 2363 ND2 ASN A 179 27.144 17.123 53.218 1.00 17.97 N ATOM 0 H ASN A 179 29.202 15.814 55.633 1.00 15.15 H new ATOM 0 HA ASN A 179 29.464 14.068 53.577 1.00 14.93 H new ATOM 0 HB2 ASN A 179 29.615 16.940 53.411 1.00 13.74 H new ATOM 0 HB3 ASN A 179 29.679 16.029 52.147 1.00 13.74 H new ATOM 0 HD21 ASN A 179 26.284 17.112 53.206 1.00 17.97 H new ATOM 0 HD22 ASN A 179 27.562 17.858 53.374 1.00 17.97 H new ATOM 2370 N MET A 180 31.915 14.686 55.000 1.00 13.57 N ATOM 2371 CA MET A 180 33.392 14.668 55.108 1.00 14.23 C ATOM 2372 C MET A 180 33.894 13.496 55.971 1.00 16.10 C ATOM 2373 O MET A 180 33.148 13.029 56.816 1.00 18.93 O ATOM 2374 CB MET A 180 33.916 15.915 55.828 1.00 15.18 C ATOM 2375 CG MET A 180 33.472 17.260 55.301 1.00 16.37 C ATOM 2376 SD MET A 180 33.891 18.587 56.455 1.00 16.29 S ATOM 2377 CE MET A 180 33.141 20.008 55.648 1.00 18.74 C ATOM 0 H MET A 180 31.505 14.529 55.739 1.00 13.57 H new ATOM 0 HA MET A 180 33.707 14.606 54.193 1.00 14.23 H new ATOM 0 HB2 MET A 180 33.652 15.856 56.760 1.00 15.18 H new ATOM 0 HB3 MET A 180 34.885 15.889 55.805 1.00 15.18 H new ATOM 0 HG2 MET A 180 33.893 17.429 54.444 1.00 16.37 H new ATOM 0 HG3 MET A 180 32.514 17.250 55.150 1.00 16.37 H new ATOM 0 HE1 MET A 180 33.299 20.803 56.180 1.00 18.74 H new ATOM 0 HE2 MET A 180 33.533 20.125 54.769 1.00 18.74 H new ATOM 0 HE3 MET A 180 32.186 19.863 55.559 1.00 18.74 H new ATOM 2387 N PHE A 181 35.113 13.059 55.731 1.00 15.38 N ATOM 2388 CA PHE A 181 35.725 11.966 56.542 1.00 15.04 C ATOM 2389 C PHE A 181 37.211 12.351 56.562 1.00 15.40 C ATOM 2390 O PHE A 181 37.708 13.104 55.740 1.00 15.25 O ATOM 2391 CB PHE A 181 35.508 10.513 55.928 1.00 14.13 C ATOM 2392 CG PHE A 181 36.216 10.169 54.645 1.00 13.70 C ATOM 2393 CD1 PHE A 181 37.526 9.752 54.635 1.00 15.17 C ATOM 2394 CD2 PHE A 181 35.535 10.282 53.434 1.00 16.32 C ATOM 2395 CE1 PHE A 181 38.143 9.436 53.419 1.00 16.72 C ATOM 2396 CE2 PHE A 181 36.150 9.967 52.231 1.00 15.18 C ATOM 2397 CZ PHE A 181 37.456 9.535 52.227 1.00 15.02 C ATOM 0 H PHE A 181 35.620 13.367 55.109 1.00 15.38 H new ATOM 0 HA PHE A 181 35.320 11.898 57.421 1.00 15.04 H new ATOM 0 HB2 PHE A 181 35.778 9.865 56.598 1.00 14.13 H new ATOM 0 HB3 PHE A 181 34.557 10.392 55.783 1.00 14.13 H new ATOM 0 HD1 PHE A 181 38.000 9.680 55.432 1.00 15.17 H new ATOM 0 HD2 PHE A 181 34.652 10.574 53.432 1.00 16.32 H new ATOM 0 HE1 PHE A 181 39.030 9.155 53.415 1.00 16.72 H new ATOM 0 HE2 PHE A 181 35.682 10.047 51.431 1.00 15.18 H new ATOM 0 HZ PHE A 181 37.873 9.311 51.426 1.00 15.02 H new ATOM 2407 N CYS A 182 37.889 11.813 57.509 1.00 15.92 N ATOM 2408 CA CYS A 182 39.326 12.073 57.682 1.00 15.52 C ATOM 2409 C CYS A 182 40.042 10.783 57.366 1.00 16.08 C ATOM 2410 O CYS A 182 39.513 9.698 57.575 1.00 14.43 O ATOM 2411 CB CYS A 182 39.658 12.443 59.136 1.00 16.65 C ATOM 2412 SG CYS A 182 39.164 14.036 59.837 1.00 17.75 S ATOM 0 H CYS A 182 37.554 11.277 58.092 1.00 15.92 H new ATOM 0 HA CYS A 182 39.592 12.808 57.107 1.00 15.52 H new ATOM 0 HB2 CYS A 182 39.271 11.754 59.699 1.00 16.65 H new ATOM 0 HB3 CYS A 182 40.621 12.379 59.231 1.00 16.65 H new ATOM 2417 N ALA A 183 41.236 10.947 56.856 1.00 15.00 N ATOM 2418 CA ALA A 183 42.076 9.777 56.505 1.00 15.93 C ATOM 2419 C ALA A 183 43.482 10.262 56.807 1.00 17.59 C ATOM 2420 O ALA A 183 43.784 11.440 56.657 1.00 16.00 O ATOM 2421 CB ALA A 183 41.971 9.427 55.060 1.00 15.58 C ATOM 0 H ALA A 183 41.597 11.712 56.698 1.00 15.00 H new ATOM 0 HA ALA A 183 41.812 8.980 56.991 1.00 15.93 H new ATOM 0 HB1 ALA A 183 42.533 8.659 54.871 1.00 15.58 H new ATOM 0 HB2 ALA A 183 41.050 9.213 54.845 1.00 15.58 H new ATOM 0 HB3 ALA A 183 42.262 10.180 54.522 1.00 15.58 H new ATOM 2427 N GLY A 184A 44.328 9.361 57.192 1.00 19.01 N ATOM 2428 CA GLY A 184A 45.706 9.812 57.494 1.00 20.36 C ATOM 2429 C GLY A 184A 46.247 9.191 58.760 1.00 21.39 C ATOM 2430 O GLY A 184A 45.819 8.120 59.142 1.00 22.39 O ATOM 0 H GLY A 184A 44.168 8.522 57.290 1.00 19.01 H new ATOM 0 HA2 GLY A 184A 46.288 9.587 56.751 1.00 20.36 H new ATOM 0 HA3 GLY A 184A 45.717 10.778 57.580 1.00 20.36 H new ATOM 2434 N TYR A 184 47.168 9.895 59.343 1.00 24.96 N ATOM 2435 CA TYR A 184 47.851 9.470 60.597 1.00 26.84 C ATOM 2436 C TYR A 184 47.899 10.616 61.581 1.00 27.65 C ATOM 2437 O TYR A 184 48.404 11.693 61.288 1.00 27.19 O ATOM 2438 CB TYR A 184 49.318 9.041 60.274 1.00 27.79 C ATOM 2439 CG TYR A 184 49.305 7.965 59.177 1.00 28.77 C ATOM 2440 CD1 TYR A 184 49.262 8.296 57.831 1.00 28.60 C ATOM 2441 CD2 TYR A 184 49.328 6.639 59.541 1.00 29.10 C ATOM 2442 CE1 TYR A 184 49.244 7.305 56.876 1.00 30.45 C ATOM 2443 CE2 TYR A 184 49.315 5.653 58.595 1.00 29.34 C ATOM 2444 CZ TYR A 184 49.276 5.974 57.254 1.00 30.58 C ATOM 2445 OH TYR A 184 49.283 4.980 56.293 1.00 32.79 O ATOM 0 H TYR A 184 47.442 10.652 59.041 1.00 24.96 H new ATOM 0 HA TYR A 184 47.357 8.728 60.980 1.00 26.84 H new ATOM 0 HB2 TYR A 184 49.833 9.809 59.982 1.00 27.79 H new ATOM 0 HB3 TYR A 184 49.749 8.698 61.073 1.00 27.79 H new ATOM 0 HD1 TYR A 184 49.245 9.189 57.573 1.00 28.60 H new ATOM 0 HD2 TYR A 184 49.353 6.411 60.442 1.00 29.10 H new ATOM 0 HE1 TYR A 184 49.210 7.530 55.974 1.00 30.45 H new ATOM 0 HE2 TYR A 184 49.333 4.761 58.857 1.00 29.34 H new ATOM 0 HH TYR A 184 49.202 5.326 55.532 1.00 32.79 H new ATOM 2455 N LEU A 185 47.392 10.375 62.749 1.00 29.67 N ATOM 2456 CA LEU A 185 47.375 11.423 63.827 1.00 30.19 C ATOM 2457 C LEU A 185 48.802 11.724 64.307 1.00 28.85 C ATOM 2458 O LEU A 185 49.050 12.770 64.866 1.00 27.53 O ATOM 2459 CB LEU A 185 46.510 10.906 64.999 1.00 28.72 C ATOM 2460 CG LEU A 185 45.045 10.724 64.521 1.00 30.37 C ATOM 2461 CD1 LEU A 185 44.238 10.304 65.721 1.00 32.54 C ATOM 2462 CD2 LEU A 185 44.426 12.056 63.980 1.00 31.78 C ATOM 0 H LEU A 185 47.043 9.623 62.977 1.00 29.67 H new ATOM 0 HA LEU A 185 46.999 12.246 63.478 1.00 30.19 H new ATOM 0 HB2 LEU A 185 46.861 10.063 65.325 1.00 28.72 H new ATOM 0 HB3 LEU A 185 46.543 11.532 65.739 1.00 28.72 H new ATOM 0 HG LEU A 185 45.033 10.072 63.803 1.00 30.37 H new ATOM 0 HD11 LEU A 185 43.312 10.180 65.461 1.00 32.54 H new ATOM 0 HD12 LEU A 185 44.589 9.471 66.072 1.00 32.54 H new ATOM 0 HD13 LEU A 185 44.292 10.991 66.404 1.00 32.54 H new ATOM 0 HD21 LEU A 185 43.513 11.896 63.693 1.00 31.78 H new ATOM 0 HD22 LEU A 185 44.431 12.724 64.683 1.00 31.78 H new ATOM 0 HD23 LEU A 185 44.949 12.374 63.228 1.00 31.78 H new ATOM 2474 N GLU A 186 49.721 10.822 64.080 1.00 30.88 N ATOM 2475 CA GLU A 186 51.117 11.120 64.547 1.00 32.34 C ATOM 2476 C GLU A 186 51.748 12.208 63.663 1.00 34.79 C ATOM 2477 O GLU A 186 52.781 12.744 64.021 1.00 36.50 O ATOM 2478 CB GLU A 186 51.979 9.825 64.493 1.00 33.30 C ATOM 2479 CG GLU A 186 52.280 9.354 63.049 0.01 33.42 C ATOM 2480 CD GLU A 186 53.194 8.112 63.086 0.01 33.08 C ATOM 2481 OE1 GLU A 186 52.760 7.128 63.664 0.01 31.59 O ATOM 2482 OE2 GLU A 186 54.278 8.219 62.531 0.01 32.95 O ATOM 0 H GLU A 186 49.603 10.067 63.685 1.00 30.88 H new ATOM 0 HA GLU A 186 51.082 11.441 65.462 1.00 32.34 H new ATOM 0 HB2 GLU A 186 52.816 9.981 64.957 1.00 33.30 H new ATOM 0 HB3 GLU A 186 51.518 9.116 64.969 1.00 33.30 H new ATOM 0 HG2 GLU A 186 51.452 9.143 62.589 0.01 33.42 H new ATOM 0 HG3 GLU A 186 52.708 10.067 62.550 0.01 33.42 H new ATOM 2489 N GLY A 187 51.112 12.486 62.543 1.00 34.31 N ATOM 2490 CA GLY A 187 51.638 13.529 61.628 1.00 33.60 C ATOM 2491 C GLY A 187 52.578 12.821 60.648 1.00 33.64 C ATOM 2492 O GLY A 187 52.653 11.607 60.653 1.00 34.04 O ATOM 0 H GLY A 187 50.388 12.102 62.282 1.00 34.31 H new ATOM 0 HA2 GLY A 187 50.914 13.969 61.155 1.00 33.60 H new ATOM 0 HA3 GLY A 187 52.111 14.216 62.124 1.00 33.60 H new ATOM 2496 N GLY A 188A 53.249 13.552 59.807 1.00 32.24 N ATOM 2497 CA GLY A 188A 54.172 12.849 58.871 1.00 31.90 C ATOM 2498 C GLY A 188A 53.680 12.517 57.478 1.00 30.62 C ATOM 2499 O GLY A 188A 54.416 12.765 56.539 1.00 28.24 O ATOM 0 H GLY A 188A 53.212 14.408 59.737 1.00 32.24 H new ATOM 0 HA2 GLY A 188A 54.969 13.394 58.779 1.00 31.90 H new ATOM 0 HA3 GLY A 188A 54.443 12.019 59.293 1.00 31.90 H new ATOM 2503 N LYS A 188 52.500 11.961 57.355 1.00 28.47 N ATOM 2504 CA LYS A 188 51.973 11.603 55.998 1.00 26.55 C ATOM 2505 C LYS A 188 50.602 12.268 55.793 1.00 23.79 C ATOM 2506 O LYS A 188 49.746 12.135 56.652 1.00 22.10 O ATOM 2507 CB LYS A 188 51.844 10.079 55.922 1.00 27.84 C ATOM 2508 CG LYS A 188 53.230 9.365 56.082 1.00 29.27 C ATOM 2509 CD LYS A 188 53.066 7.978 56.841 1.00 30.94 C ATOM 2510 CE LYS A 188 54.106 7.859 57.991 0.36 32.22 C ATOM 2511 NZ LYS A 188 53.605 8.502 59.247 0.36 31.85 N ATOM 0 H LYS A 188 51.976 11.774 58.011 1.00 28.47 H new ATOM 0 HA LYS A 188 52.574 11.915 55.303 1.00 26.55 H new ATOM 0 HB2 LYS A 188 51.240 9.771 56.616 1.00 27.84 H new ATOM 0 HB3 LYS A 188 51.449 9.830 55.072 1.00 27.84 H new ATOM 0 HG2 LYS A 188 53.624 9.216 55.208 1.00 29.27 H new ATOM 0 HG3 LYS A 188 53.839 9.938 56.574 1.00 29.27 H new ATOM 0 HD2 LYS A 188 52.168 7.904 57.201 1.00 30.94 H new ATOM 0 HD3 LYS A 188 53.182 7.245 56.216 1.00 30.94 H new ATOM 0 HE2 LYS A 188 54.300 6.924 58.159 0.36 32.22 H new ATOM 0 HE3 LYS A 188 54.939 8.277 57.721 0.36 32.22 H new ATOM 0 HZ1 LYS A 188 54.218 8.420 59.887 0.36 31.85 H new ATOM 0 HZ2 LYS A 188 53.447 9.365 59.097 0.36 31.85 H new ATOM 0 HZ3 LYS A 188 52.852 8.104 59.505 0.36 31.85 H new ATOM 2525 N ASP A 189 50.421 12.948 54.688 1.00 19.57 N ATOM 2526 CA ASP A 189 49.115 13.636 54.415 1.00 18.28 C ATOM 2527 C ASP A 189 49.088 14.107 52.941 1.00 19.57 C ATOM 2528 O ASP A 189 50.107 14.036 52.254 1.00 18.64 O ATOM 2529 CB ASP A 189 49.007 14.874 55.353 1.00 19.46 C ATOM 2530 CG ASP A 189 47.631 15.611 55.416 1.00 18.99 C ATOM 2531 OD1 ASP A 189 47.661 16.697 55.962 1.00 19.10 O ATOM 2532 OD2 ASP A 189 46.643 15.078 54.950 1.00 18.93 O ATOM 0 H ASP A 189 51.014 13.041 54.072 1.00 19.57 H new ATOM 0 HA ASP A 189 48.375 13.030 54.574 1.00 18.28 H new ATOM 0 HB2 ASP A 189 49.236 14.590 56.252 1.00 19.46 H new ATOM 0 HB3 ASP A 189 49.679 15.517 55.079 1.00 19.46 H new ATOM 2537 N SER A 190 47.928 14.584 52.512 1.00 18.91 N ATOM 2538 CA SER A 190 47.782 15.110 51.132 1.00 18.04 C ATOM 2539 C SER A 190 48.111 16.622 51.486 1.00 19.79 C ATOM 2540 O SER A 190 48.306 16.978 52.649 1.00 18.92 O ATOM 2541 CB SER A 190 46.323 14.927 50.585 1.00 16.72 C ATOM 2542 OG SER A 190 45.492 15.418 51.613 1.00 17.36 O ATOM 0 H SER A 190 47.212 14.618 52.988 1.00 18.91 H new ATOM 0 HA SER A 190 48.320 14.695 50.439 1.00 18.04 H new ATOM 0 HB2 SER A 190 46.191 15.420 49.760 1.00 16.72 H new ATOM 0 HB3 SER A 190 46.133 13.995 50.393 1.00 16.72 H new ATOM 0 HG SER A 190 45.078 14.779 51.968 1.00 17.36 H new ATOM 2548 N CYS A 191 48.152 17.488 50.510 1.00 20.03 N ATOM 2549 CA CYS A 191 48.480 18.905 50.790 1.00 19.58 C ATOM 2550 C CYS A 191 48.025 19.750 49.582 1.00 20.17 C ATOM 2551 O CYS A 191 47.520 19.206 48.605 1.00 17.55 O ATOM 2552 CB CYS A 191 50.022 18.932 50.993 1.00 21.42 C ATOM 2553 SG CYS A 191 50.741 20.421 51.682 1.00 22.64 S ATOM 0 H CYS A 191 48.000 17.304 49.684 1.00 20.03 H new ATOM 0 HA CYS A 191 48.038 19.269 51.573 1.00 19.58 H new ATOM 0 HB2 CYS A 191 50.261 18.190 51.570 1.00 21.42 H new ATOM 0 HB3 CYS A 191 50.440 18.768 50.133 1.00 21.42 H new ATOM 2558 N GLN A 192 48.237 21.031 49.688 1.00 19.74 N ATOM 2559 CA GLN A 192 47.857 21.986 48.604 1.00 19.89 C ATOM 2560 C GLN A 192 48.494 21.427 47.306 1.00 17.72 C ATOM 2561 O GLN A 192 49.652 21.041 47.270 1.00 17.50 O ATOM 2562 CB GLN A 192 48.427 23.424 48.933 0.51 20.65 C ATOM 2563 CG GLN A 192 47.978 24.483 47.872 0.26 22.58 C ATOM 2564 CD GLN A 192 48.394 25.918 48.308 0.26 23.51 C ATOM 2565 OE1 GLN A 192 48.017 26.952 47.792 0.26 23.86 O ATOM 2566 NE2 GLN A 192 49.205 26.093 49.293 0.26 25.91 N ATOM 0 H GLN A 192 48.601 21.401 50.374 1.00 19.74 H new ATOM 0 HA GLN A 192 46.895 22.071 48.514 1.00 19.89 H new ATOM 0 HB2 GLN A 192 48.124 23.699 49.813 0.51 20.65 H new ATOM 0 HB3 GLN A 192 49.396 23.389 48.965 0.51 20.65 H new ATOM 0 HG2 GLN A 192 48.376 24.274 47.013 0.26 22.58 H new ATOM 0 HG3 GLN A 192 47.016 24.442 47.756 0.26 22.58 H new ATOM 0 HE21 GLN A 192 49.521 25.414 49.716 0.26 25.91 H new ATOM 0 HE22 GLN A 192 49.431 26.889 49.528 0.26 25.91 H new ATOM 2575 N GLY A 193 47.695 21.390 46.274 1.00 18.91 N ATOM 2576 CA GLY A 193 48.187 20.879 44.931 1.00 19.54 C ATOM 2577 C GLY A 193 47.606 19.511 44.650 1.00 16.46 C ATOM 2578 O GLY A 193 47.450 19.109 43.523 1.00 15.88 O ATOM 0 H GLY A 193 46.873 21.642 46.286 1.00 18.91 H new ATOM 0 HA2 GLY A 193 47.931 21.497 44.229 1.00 19.54 H new ATOM 0 HA3 GLY A 193 49.156 20.833 44.930 1.00 19.54 H new ATOM 2582 N ASP A 194 47.317 18.844 45.737 1.00 15.32 N ATOM 2583 CA ASP A 194 46.718 17.461 45.687 1.00 16.51 C ATOM 2584 C ASP A 194 45.170 17.598 45.588 1.00 15.23 C ATOM 2585 O ASP A 194 44.475 16.680 45.195 1.00 15.44 O ATOM 2586 CB ASP A 194 47.042 16.684 46.956 1.00 13.97 C ATOM 2587 CG ASP A 194 48.532 16.312 47.022 1.00 15.82 C ATOM 2588 OD1 ASP A 194 49.007 16.253 48.134 1.00 16.55 O ATOM 2589 OD2 ASP A 194 49.115 16.095 45.965 1.00 15.66 O ATOM 0 H ASP A 194 47.447 19.145 46.532 1.00 15.32 H new ATOM 0 HA ASP A 194 47.084 16.990 44.922 1.00 16.51 H new ATOM 0 HB2 ASP A 194 46.805 17.216 47.732 1.00 13.97 H new ATOM 0 HB3 ASP A 194 46.504 15.878 46.990 1.00 13.97 H new ATOM 2594 N SER A 195 44.739 18.762 46.002 1.00 16.38 N ATOM 2595 CA SER A 195 43.299 19.229 46.026 1.00 15.12 C ATOM 2596 C SER A 195 42.506 18.701 44.850 1.00 14.21 C ATOM 2597 O SER A 195 42.996 18.827 43.745 1.00 13.16 O ATOM 2598 CB SER A 195 43.213 20.738 45.918 1.00 16.44 C ATOM 2599 OG SER A 195 44.348 21.074 46.703 1.00 18.94 O ATOM 0 H SER A 195 45.279 19.361 46.300 1.00 16.38 H new ATOM 0 HA SER A 195 42.939 18.900 46.865 1.00 15.12 H new ATOM 0 HB2 SER A 195 43.282 21.054 45.003 1.00 16.44 H new ATOM 0 HB3 SER A 195 42.387 21.094 46.280 1.00 16.44 H new ATOM 2604 N GLY A 196 41.348 18.145 45.108 1.00 12.74 N ATOM 2605 CA GLY A 196 40.499 17.617 43.998 1.00 11.83 C ATOM 2606 C GLY A 196 40.848 16.206 43.586 1.00 12.63 C ATOM 2607 O GLY A 196 40.065 15.561 42.918 1.00 15.71 O ATOM 0 H GLY A 196 41.016 18.052 45.896 1.00 12.74 H new ATOM 0 HA2 GLY A 196 39.569 17.645 44.271 1.00 11.83 H new ATOM 0 HA3 GLY A 196 40.586 18.201 43.229 1.00 11.83 H new ATOM 2611 N GLY A 197 42.000 15.740 43.994 1.00 13.03 N ATOM 2612 CA GLY A 197 42.423 14.363 43.602 1.00 12.89 C ATOM 2613 C GLY A 197 41.732 13.229 44.312 1.00 13.75 C ATOM 2614 O GLY A 197 40.971 13.457 45.227 1.00 14.22 O ATOM 0 H GLY A 197 42.559 16.170 44.487 1.00 13.03 H new ATOM 0 HA2 GLY A 197 42.278 14.259 42.648 1.00 12.89 H new ATOM 0 HA3 GLY A 197 43.377 14.282 43.755 1.00 12.89 H new ATOM 2618 N PRO A 198 42.009 12.030 43.863 1.00 14.19 N ATOM 2619 CA PRO A 198 41.366 10.796 44.333 1.00 13.79 C ATOM 2620 C PRO A 198 41.832 10.148 45.647 1.00 15.35 C ATOM 2621 O PRO A 198 42.981 10.271 45.992 1.00 15.07 O ATOM 2622 CB PRO A 198 41.585 9.811 43.203 1.00 13.45 C ATOM 2623 CG PRO A 198 42.966 10.200 42.680 1.00 12.81 C ATOM 2624 CD PRO A 198 42.997 11.728 42.786 1.00 13.76 C ATOM 0 HA PRO A 198 40.452 11.035 44.551 1.00 13.79 H new ATOM 0 HB2 PRO A 198 41.564 8.893 43.516 1.00 13.45 H new ATOM 0 HB3 PRO A 198 40.904 9.892 42.517 1.00 13.45 H new ATOM 0 HG2 PRO A 198 43.671 9.795 43.208 1.00 12.81 H new ATOM 0 HG3 PRO A 198 43.093 9.906 41.764 1.00 12.81 H new ATOM 0 HD2 PRO A 198 43.883 12.051 43.014 1.00 13.76 H new ATOM 0 HD3 PRO A 198 42.749 12.148 41.948 1.00 13.76 H new ATOM 2632 N VAL A 199 40.922 9.477 46.308 1.00 15.49 N ATOM 2633 CA VAL A 199 41.171 8.745 47.570 1.00 14.65 C ATOM 2634 C VAL A 199 40.420 7.477 47.085 1.00 15.63 C ATOM 2635 O VAL A 199 39.186 7.488 47.059 1.00 14.69 O ATOM 2636 CB VAL A 199 40.470 9.356 48.730 1.00 14.50 C ATOM 2637 CG1 VAL A 199 40.644 8.432 49.971 1.00 14.23 C ATOM 2638 CG2 VAL A 199 41.184 10.709 48.963 1.00 15.65 C ATOM 0 H VAL A 199 40.106 9.420 46.042 1.00 15.49 H new ATOM 0 HA VAL A 199 42.086 8.673 47.884 1.00 14.65 H new ATOM 0 HB VAL A 199 39.519 9.474 48.578 1.00 14.50 H new ATOM 0 HG11 VAL A 199 40.189 8.824 50.733 1.00 14.23 H new ATOM 0 HG12 VAL A 199 40.264 7.560 49.781 1.00 14.23 H new ATOM 0 HG13 VAL A 199 41.588 8.336 50.173 1.00 14.23 H new ATOM 0 HG21 VAL A 199 40.774 11.167 49.713 1.00 15.65 H new ATOM 0 HG22 VAL A 199 42.122 10.551 49.154 1.00 15.65 H new ATOM 0 HG23 VAL A 199 41.105 11.258 48.167 1.00 15.65 H new ATOM 2648 N VAL A 200 41.149 6.461 46.714 1.00 13.88 N ATOM 2649 CA VAL A 200 40.505 5.197 46.214 1.00 15.53 C ATOM 2650 C VAL A 200 40.680 4.100 47.258 1.00 16.52 C ATOM 2651 O VAL A 200 41.799 3.876 47.716 1.00 15.92 O ATOM 2652 CB VAL A 200 41.178 4.813 44.778 1.00 16.57 C ATOM 2653 CG1 VAL A 200 40.723 3.414 44.235 1.00 18.52 C ATOM 2654 CG2 VAL A 200 40.704 5.863 43.732 1.00 16.02 C ATOM 0 H VAL A 200 42.009 6.447 46.730 1.00 13.88 H new ATOM 0 HA VAL A 200 39.552 5.311 46.077 1.00 15.53 H new ATOM 0 HB VAL A 200 42.139 4.796 44.910 1.00 16.57 H new ATOM 0 HG11 VAL A 200 41.154 3.242 43.383 1.00 18.52 H new ATOM 0 HG12 VAL A 200 40.973 2.724 44.869 1.00 18.52 H new ATOM 0 HG13 VAL A 200 39.760 3.410 44.117 1.00 18.52 H new ATOM 0 HG21 VAL A 200 41.092 5.656 42.867 1.00 16.02 H new ATOM 0 HG22 VAL A 200 39.737 5.840 43.666 1.00 16.02 H new ATOM 0 HG23 VAL A 200 40.988 6.748 44.010 1.00 16.02 H new ATOM 2664 N CYS A 201 39.555 3.481 47.567 1.00 16.74 N ATOM 2665 CA CYS A 201 39.562 2.379 48.581 1.00 19.12 C ATOM 2666 C CYS A 201 38.813 1.204 47.970 1.00 19.47 C ATOM 2667 O CYS A 201 37.711 1.391 47.496 1.00 18.37 O ATOM 2668 CB CYS A 201 38.862 2.859 49.891 1.00 20.01 C ATOM 2669 SG CYS A 201 39.145 4.599 50.309 1.00 21.02 S ATOM 0 H CYS A 201 38.786 3.660 47.225 1.00 16.74 H new ATOM 0 HA CYS A 201 40.468 2.119 48.810 1.00 19.12 H new ATOM 0 HB2 CYS A 201 37.907 2.711 49.806 1.00 20.01 H new ATOM 0 HB3 CYS A 201 39.170 2.308 50.628 1.00 20.01 H new ATOM 2674 N SER A 202 39.405 0.040 47.996 1.00 21.83 N ATOM 2675 CA SER A 202 38.794 -1.214 47.426 1.00 23.14 C ATOM 2676 C SER A 202 38.289 -1.052 46.009 1.00 21.31 C ATOM 2677 O SER A 202 37.239 -1.519 45.641 1.00 23.82 O ATOM 2678 CB SER A 202 37.619 -1.656 48.329 1.00 26.08 C ATOM 2679 OG SER A 202 38.190 -1.789 49.645 1.00 29.01 O ATOM 0 H SER A 202 40.183 -0.083 48.341 1.00 21.83 H new ATOM 0 HA SER A 202 39.497 -1.882 47.400 1.00 23.14 H new ATOM 0 HB2 SER A 202 36.904 -1.001 48.321 1.00 26.08 H new ATOM 0 HB3 SER A 202 37.238 -2.495 48.025 1.00 26.08 H new ATOM 0 HG SER A 202 37.594 -2.028 50.186 1.00 29.01 H new ATOM 2685 N GLY A 203 39.067 -0.365 45.234 1.00 19.75 N ATOM 2686 CA GLY A 203 38.700 -0.133 43.808 1.00 19.88 C ATOM 2687 C GLY A 203 37.621 0.917 43.519 1.00 18.29 C ATOM 2688 O GLY A 203 37.194 0.998 42.388 1.00 19.66 O ATOM 0 H GLY A 203 39.813 -0.013 45.479 1.00 19.75 H new ATOM 0 HA2 GLY A 203 39.504 0.124 43.330 1.00 19.88 H new ATOM 0 HA3 GLY A 203 38.404 -0.977 43.433 1.00 19.88 H new ATOM 2692 N LYS A 204 37.214 1.685 44.499 1.00 17.71 N ATOM 2693 CA LYS A 204 36.155 2.726 44.287 1.00 19.44 C ATOM 2694 C LYS A 204 36.693 4.083 44.740 1.00 18.65 C ATOM 2695 O LYS A 204 37.538 4.168 45.629 1.00 15.53 O ATOM 2696 CB LYS A 204 34.902 2.468 45.161 1.00 23.38 C ATOM 2697 CG LYS A 204 34.380 1.038 45.026 1.00 26.77 C ATOM 2698 CD LYS A 204 33.585 0.897 43.739 1.00 29.55 C ATOM 2699 CE LYS A 204 33.771 -0.512 43.168 1.00 34.18 C ATOM 2700 NZ LYS A 204 33.746 -1.593 44.204 1.00 37.15 N ATOM 0 H LYS A 204 37.518 1.643 45.302 1.00 17.71 H new ATOM 0 HA LYS A 204 35.921 2.700 43.346 1.00 19.44 H new ATOM 0 HB2 LYS A 204 35.117 2.644 46.090 1.00 23.38 H new ATOM 0 HB3 LYS A 204 34.202 3.090 44.909 1.00 23.38 H new ATOM 0 HG2 LYS A 204 35.122 0.413 45.027 1.00 26.77 H new ATOM 0 HG3 LYS A 204 33.821 0.816 45.787 1.00 26.77 H new ATOM 0 HD2 LYS A 204 32.645 1.065 43.909 1.00 29.55 H new ATOM 0 HD3 LYS A 204 33.879 1.558 43.093 1.00 29.55 H new ATOM 0 HE2 LYS A 204 33.072 -0.683 42.518 1.00 34.18 H new ATOM 0 HE3 LYS A 204 34.616 -0.550 42.693 1.00 34.18 H new ATOM 0 HZ1 LYS A 204 33.483 -2.357 43.830 1.00 37.15 H new ATOM 0 HZ2 LYS A 204 34.561 -1.696 44.546 1.00 37.15 H new ATOM 0 HZ3 LYS A 204 33.179 -1.370 44.853 1.00 37.15 H new ATOM 2714 N LEU A 209 36.132 5.078 44.114 1.00 16.68 N ATOM 2715 CA LEU A 209 36.546 6.460 44.447 1.00 16.69 C ATOM 2716 C LEU A 209 35.685 6.792 45.701 1.00 16.46 C ATOM 2717 O LEU A 209 34.484 6.984 45.598 1.00 18.09 O ATOM 2718 CB LEU A 209 36.197 7.371 43.278 1.00 14.48 C ATOM 2719 CG LEU A 209 36.568 8.816 43.606 1.00 14.56 C ATOM 2720 CD1 LEU A 209 38.076 8.999 43.694 1.00 14.11 C ATOM 2721 CD2 LEU A 209 35.957 9.751 42.528 1.00 17.30 C ATOM 0 H LEU A 209 35.526 5.006 43.508 1.00 16.68 H new ATOM 0 HA LEU A 209 37.495 6.569 44.614 1.00 16.69 H new ATOM 0 HB2 LEU A 209 36.669 7.082 42.482 1.00 14.48 H new ATOM 0 HB3 LEU A 209 35.249 7.310 43.083 1.00 14.48 H new ATOM 0 HG LEU A 209 36.206 9.044 44.476 1.00 14.56 H new ATOM 0 HD11 LEU A 209 38.278 9.924 43.903 1.00 14.11 H new ATOM 0 HD12 LEU A 209 38.432 8.425 44.391 1.00 14.11 H new ATOM 0 HD13 LEU A 209 38.481 8.764 42.844 1.00 14.11 H new ATOM 0 HD21 LEU A 209 36.188 10.671 42.729 1.00 17.30 H new ATOM 0 HD22 LEU A 209 36.309 9.513 41.656 1.00 17.30 H new ATOM 0 HD23 LEU A 209 34.992 9.654 42.524 1.00 17.30 H new ATOM 2733 N GLN A 210 36.310 6.855 46.843 1.00 16.35 N ATOM 2734 CA GLN A 210 35.564 7.156 48.093 1.00 15.82 C ATOM 2735 C GLN A 210 35.750 8.603 48.541 1.00 13.71 C ATOM 2736 O GLN A 210 34.911 9.116 49.262 1.00 13.34 O ATOM 2737 CB GLN A 210 36.057 6.209 49.209 1.00 15.86 C ATOM 2738 CG GLN A 210 35.675 4.700 48.953 1.00 17.89 C ATOM 2739 CD GLN A 210 34.182 4.412 49.175 1.00 18.77 C ATOM 2740 OE1 GLN A 210 33.697 3.328 48.923 1.00 22.57 O ATOM 2741 NE2 GLN A 210 33.392 5.322 49.640 1.00 20.30 N ATOM 0 H GLN A 210 37.155 6.732 46.945 1.00 16.35 H new ATOM 0 HA GLN A 210 34.619 7.023 47.917 1.00 15.82 H new ATOM 0 HB2 GLN A 210 37.021 6.284 49.287 1.00 15.86 H new ATOM 0 HB3 GLN A 210 35.681 6.493 50.057 1.00 15.86 H new ATOM 0 HG2 GLN A 210 35.913 4.461 48.044 1.00 17.89 H new ATOM 0 HG3 GLN A 210 36.199 4.135 49.542 1.00 17.89 H new ATOM 0 HE21 GLN A 210 33.700 6.102 49.830 1.00 20.30 H new ATOM 0 HE22 GLN A 210 32.558 5.148 49.759 1.00 20.30 H new ATOM 2750 N GLY A 211 36.816 9.243 48.145 1.00 12.18 N ATOM 2751 CA GLY A 211 36.985 10.647 48.592 1.00 14.08 C ATOM 2752 C GLY A 211 37.685 11.555 47.593 1.00 13.82 C ATOM 2753 O GLY A 211 38.215 11.066 46.612 1.00 13.85 O ATOM 0 H GLY A 211 37.438 8.926 47.643 1.00 12.18 H new ATOM 0 HA2 GLY A 211 36.111 11.018 48.789 1.00 14.08 H new ATOM 0 HA3 GLY A 211 37.488 10.651 49.421 1.00 14.08 H new ATOM 2757 N ILE A 212 37.637 12.841 47.923 1.00 13.69 N ATOM 2758 CA ILE A 212 38.261 13.907 47.103 1.00 13.97 C ATOM 2759 C ILE A 212 39.114 14.710 48.082 1.00 13.34 C ATOM 2760 O ILE A 212 38.609 15.029 49.149 1.00 12.65 O ATOM 2761 CB ILE A 212 37.142 14.783 46.466 1.00 16.54 C ATOM 2762 CG1 ILE A 212 36.249 13.896 45.482 1.00 19.13 C ATOM 2763 CG2 ILE A 212 37.761 15.951 45.638 1.00 16.48 C ATOM 2764 CD1 ILE A 212 35.064 14.683 44.948 1.00 20.96 C ATOM 0 H ILE A 212 37.243 13.133 48.629 1.00 13.69 H new ATOM 0 HA ILE A 212 38.800 13.564 46.374 1.00 13.97 H new ATOM 0 HB ILE A 212 36.600 15.143 47.185 1.00 16.54 H new ATOM 0 HG12 ILE A 212 36.793 13.584 44.742 1.00 19.13 H new ATOM 0 HG13 ILE A 212 35.932 13.109 45.952 1.00 19.13 H new ATOM 0 HG21 ILE A 212 37.050 16.485 45.250 1.00 16.48 H new ATOM 0 HG22 ILE A 212 38.303 16.508 46.219 1.00 16.48 H new ATOM 0 HG23 ILE A 212 38.316 15.588 44.930 1.00 16.48 H new ATOM 0 HD11 ILE A 212 34.542 14.120 44.355 1.00 20.96 H new ATOM 0 HD12 ILE A 212 34.509 14.975 45.688 1.00 20.96 H new ATOM 0 HD13 ILE A 212 35.383 15.458 44.459 1.00 20.96 H new ATOM 2776 N VAL A 213 40.347 15.001 47.739 1.00 12.93 N ATOM 2777 CA VAL A 213 41.250 15.789 48.641 1.00 13.46 C ATOM 2778 C VAL A 213 40.578 17.150 48.796 1.00 12.42 C ATOM 2779 O VAL A 213 40.394 17.854 47.819 1.00 12.23 O ATOM 2780 CB VAL A 213 42.646 15.895 47.976 1.00 12.33 C ATOM 2781 CG1 VAL A 213 43.595 16.705 48.850 1.00 13.40 C ATOM 2782 CG2 VAL A 213 43.260 14.507 47.787 1.00 12.04 C ATOM 0 H VAL A 213 40.707 14.765 46.994 1.00 12.93 H new ATOM 0 HA VAL A 213 41.383 15.381 49.511 1.00 13.46 H new ATOM 0 HB VAL A 213 42.525 16.329 47.117 1.00 12.33 H new ATOM 0 HG11 VAL A 213 44.463 16.762 48.420 1.00 13.40 H new ATOM 0 HG12 VAL A 213 43.238 17.598 48.975 1.00 13.40 H new ATOM 0 HG13 VAL A 213 43.690 16.272 49.713 1.00 13.40 H new ATOM 0 HG21 VAL A 213 44.132 14.593 47.370 1.00 12.04 H new ATOM 0 HG22 VAL A 213 43.356 14.075 48.650 1.00 12.04 H new ATOM 0 HG23 VAL A 213 42.682 13.972 47.220 1.00 12.04 H new ATOM 2792 N SER A 214 40.252 17.497 50.004 1.00 13.13 N ATOM 2793 CA SER A 214 39.566 18.790 50.272 1.00 13.05 C ATOM 2794 C SER A 214 40.317 19.785 51.180 1.00 13.63 C ATOM 2795 O SER A 214 40.702 20.855 50.740 1.00 13.49 O ATOM 2796 CB SER A 214 38.167 18.385 50.848 1.00 11.73 C ATOM 2797 OG SER A 214 37.364 19.533 51.060 1.00 12.89 O ATOM 0 H SER A 214 40.405 17.020 50.703 1.00 13.13 H new ATOM 0 HA SER A 214 39.508 19.301 49.450 1.00 13.05 H new ATOM 0 HB2 SER A 214 37.721 17.781 50.234 1.00 11.73 H new ATOM 0 HB3 SER A 214 38.282 17.906 51.683 1.00 11.73 H new ATOM 0 HG SER A 214 37.303 19.968 50.344 1.00 12.89 H new ATOM 2803 N TRP A 215 40.492 19.436 52.433 1.00 13.46 N ATOM 2804 CA TRP A 215 41.208 20.407 53.298 1.00 15.38 C ATOM 2805 C TRP A 215 41.897 19.732 54.466 1.00 16.68 C ATOM 2806 O TRP A 215 41.886 18.527 54.572 1.00 13.74 O ATOM 2807 CB TRP A 215 40.192 21.496 53.793 1.00 13.84 C ATOM 2808 CG TRP A 215 39.000 21.019 54.632 1.00 15.55 C ATOM 2809 CD1 TRP A 215 37.845 20.500 54.129 1.00 17.71 C ATOM 2810 CD2 TRP A 215 38.892 21.076 56.006 1.00 16.66 C ATOM 2811 NE1 TRP A 215 37.098 20.267 55.199 1.00 17.72 N ATOM 2812 CE2 TRP A 215 37.628 20.577 56.373 1.00 16.32 C ATOM 2813 CE3 TRP A 215 39.767 21.507 57.021 1.00 17.15 C ATOM 2814 CZ2 TRP A 215 37.251 20.513 57.701 1.00 16.04 C ATOM 2815 CZ3 TRP A 215 39.372 21.434 58.367 1.00 16.15 C ATOM 2816 CH2 TRP A 215 38.118 20.942 58.702 1.00 15.06 C ATOM 0 H TRP A 215 40.234 18.703 52.802 1.00 13.46 H new ATOM 0 HA TRP A 215 41.908 20.828 52.775 1.00 15.38 H new ATOM 0 HB2 TRP A 215 40.684 22.150 54.315 1.00 13.84 H new ATOM 0 HB3 TRP A 215 39.845 21.958 53.014 1.00 13.84 H new ATOM 0 HD1 TRP A 215 37.630 20.345 53.238 1.00 17.71 H new ATOM 0 HE1 TRP A 215 36.309 19.931 55.134 1.00 17.72 H new ATOM 0 HE3 TRP A 215 40.607 21.840 56.800 1.00 17.15 H new ATOM 0 HZ2 TRP A 215 36.412 20.181 57.927 1.00 16.04 H new ATOM 0 HZ3 TRP A 215 39.953 21.716 59.036 1.00 16.15 H new ATOM 0 HH2 TRP A 215 37.858 20.899 59.594 1.00 15.06 H new ATOM 2827 N GLY A 216 42.487 20.534 55.301 1.00 19.00 N ATOM 2828 CA GLY A 216 43.201 20.040 56.506 1.00 20.58 C ATOM 2829 C GLY A 216 43.800 21.264 57.173 1.00 22.62 C ATOM 2830 O GLY A 216 43.509 22.368 56.755 1.00 22.99 O ATOM 0 H GLY A 216 42.501 21.389 55.210 1.00 19.00 H new ATOM 0 HA2 GLY A 216 42.592 19.581 57.106 1.00 20.58 H new ATOM 0 HA3 GLY A 216 43.892 19.404 56.263 1.00 20.58 H new ATOM 2834 N SER A 217 44.599 21.062 58.171 1.00 26.31 N ATOM 2835 CA SER A 217 45.262 22.185 58.917 1.00 29.18 C ATOM 2836 C SER A 217 46.714 21.960 58.521 1.00 26.91 C ATOM 2837 O SER A 217 47.312 20.990 58.968 1.00 27.70 O ATOM 2838 CB SER A 217 45.090 22.017 60.448 1.00 30.00 C ATOM 2839 OG SER A 217 45.566 23.237 61.015 1.00 32.10 O ATOM 0 H SER A 217 44.799 20.280 58.467 1.00 26.31 H new ATOM 0 HA SER A 217 44.909 23.066 58.714 1.00 29.18 H new ATOM 0 HB2 SER A 217 44.161 21.861 60.681 1.00 30.00 H new ATOM 0 HB3 SER A 217 45.596 21.257 60.776 1.00 30.00 H new ATOM 0 HG SER A 217 45.495 23.204 61.851 1.00 32.10 H new ATOM 2845 N GLY A 219 47.213 22.852 57.713 1.00 25.90 N ATOM 2846 CA GLY A 219 48.620 22.728 57.237 1.00 26.62 C ATOM 2847 C GLY A 219 48.632 21.345 56.578 1.00 27.97 C ATOM 2848 O GLY A 219 47.596 20.867 56.109 1.00 29.58 O ATOM 0 H GLY A 219 46.786 23.537 57.416 1.00 25.90 H new ATOM 0 HA2 GLY A 219 48.851 23.429 56.608 1.00 26.62 H new ATOM 0 HA3 GLY A 219 49.254 22.784 57.969 1.00 26.62 H new ATOM 2852 N CYS A 220 49.775 20.741 56.547 1.00 26.70 N ATOM 2853 CA CYS A 220 49.901 19.397 55.947 1.00 26.47 C ATOM 2854 C CYS A 220 50.786 18.606 56.911 1.00 27.62 C ATOM 2855 O CYS A 220 51.726 19.133 57.471 1.00 30.49 O ATOM 2856 CB CYS A 220 50.571 19.496 54.560 1.00 25.54 C ATOM 2857 SG CYS A 220 49.714 20.593 53.412 1.00 24.97 S ATOM 0 H CYS A 220 50.506 21.067 56.860 1.00 26.70 H new ATOM 0 HA CYS A 220 49.038 18.972 55.819 1.00 26.47 H new ATOM 0 HB2 CYS A 220 51.483 19.808 54.672 1.00 25.54 H new ATOM 0 HB3 CYS A 220 50.621 18.609 54.170 1.00 25.54 H new ATOM 2862 N ALA A 221A 50.442 17.360 57.053 1.00 25.82 N ATOM 2863 CA ALA A 221A 51.138 16.362 57.922 1.00 25.57 C ATOM 2864 C ALA A 221A 51.444 16.780 59.366 1.00 24.33 C ATOM 2865 O ALA A 221A 52.418 16.312 59.920 1.00 25.32 O ATOM 2866 CB ALA A 221A 52.468 15.954 57.205 1.00 24.64 C ATOM 0 H ALA A 221A 49.767 17.024 56.639 1.00 25.82 H new ATOM 0 HA ALA A 221A 50.510 15.631 58.028 1.00 25.57 H new ATOM 0 HB1 ALA A 221A 52.943 15.305 57.748 1.00 24.64 H new ATOM 0 HB2 ALA A 221A 52.263 15.564 56.341 1.00 24.64 H new ATOM 0 HB3 ALA A 221A 53.024 16.740 57.082 1.00 24.64 H new ATOM 2872 N GLN A 221 50.632 17.602 59.944 1.00 23.53 N ATOM 2873 CA GLN A 221 50.885 18.014 61.361 1.00 25.42 C ATOM 2874 C GLN A 221 50.214 16.934 62.221 1.00 25.05 C ATOM 2875 O GLN A 221 49.240 16.322 61.824 1.00 24.82 O ATOM 2876 CB GLN A 221 50.220 19.369 61.716 1.00 25.91 C ATOM 2877 CG GLN A 221 50.930 20.545 61.023 1.00 27.70 C ATOM 2878 CD GLN A 221 50.064 21.792 61.111 0.29 26.09 C ATOM 2879 OE1 GLN A 221 50.564 22.879 60.995 0.29 26.70 O ATOM 2880 NE2 GLN A 221 48.779 21.741 61.306 0.29 25.23 N ATOM 0 H GLN A 221 49.935 17.947 59.578 1.00 23.53 H new ATOM 0 HA GLN A 221 51.839 18.111 61.506 1.00 25.42 H new ATOM 0 HB2 GLN A 221 49.287 19.352 61.452 1.00 25.91 H new ATOM 0 HB3 GLN A 221 50.240 19.499 62.677 1.00 25.91 H new ATOM 0 HG2 GLN A 221 51.789 20.707 61.442 1.00 27.70 H new ATOM 0 HG3 GLN A 221 51.104 20.327 60.094 1.00 27.70 H new ATOM 0 HE21 GLN A 221 48.387 20.980 61.393 0.29 25.23 H new ATOM 0 HE22 GLN A 221 48.321 22.468 61.347 0.29 25.23 H new ATOM 2889 N LYS A 222 50.762 16.768 63.381 1.00 25.58 N ATOM 2890 CA LYS A 222 50.262 15.771 64.355 1.00 26.62 C ATOM 2891 C LYS A 222 48.862 16.178 64.819 1.00 26.69 C ATOM 2892 O LYS A 222 48.627 17.328 65.119 1.00 25.82 O ATOM 2893 CB LYS A 222 51.279 15.758 65.511 1.00 27.12 C ATOM 2894 CG LYS A 222 50.885 14.836 66.696 1.00 29.23 C ATOM 2895 CD LYS A 222 51.955 15.087 67.804 0.11 29.24 C ATOM 2896 CE LYS A 222 51.704 14.248 69.062 0.11 30.45 C ATOM 2897 NZ LYS A 222 52.736 14.592 70.082 0.11 31.11 N ATOM 0 H LYS A 222 51.441 17.219 63.656 1.00 25.58 H new ATOM 0 HA LYS A 222 50.183 14.882 63.976 1.00 26.62 H new ATOM 0 HB2 LYS A 222 52.141 15.475 65.167 1.00 27.12 H new ATOM 0 HB3 LYS A 222 51.389 16.663 65.842 1.00 27.12 H new ATOM 0 HG2 LYS A 222 49.994 15.045 67.019 1.00 29.23 H new ATOM 0 HG3 LYS A 222 50.877 13.905 66.425 1.00 29.23 H new ATOM 0 HD2 LYS A 222 52.835 14.882 67.452 0.11 29.24 H new ATOM 0 HD3 LYS A 222 51.957 16.028 68.041 0.11 29.24 H new ATOM 0 HE2 LYS A 222 50.816 14.423 69.411 0.11 30.45 H new ATOM 0 HE3 LYS A 222 51.744 13.303 68.849 0.11 30.45 H new ATOM 0 HZ1 LYS A 222 52.599 14.110 70.817 0.11 31.11 H new ATOM 0 HZ2 LYS A 222 53.545 14.414 69.757 0.11 31.11 H new ATOM 0 HZ3 LYS A 222 52.680 15.458 70.281 0.11 31.11 H new ATOM 2911 N ASN A 223 47.999 15.213 64.855 1.00 27.55 N ATOM 2912 CA ASN A 223 46.583 15.332 65.269 1.00 29.37 C ATOM 2913 C ASN A 223 45.741 16.200 64.367 1.00 28.08 C ATOM 2914 O ASN A 223 44.664 16.597 64.768 1.00 29.44 O ATOM 2915 CB ASN A 223 46.465 15.897 66.686 1.00 34.12 C ATOM 2916 CG ASN A 223 47.040 14.872 67.692 1.00 39.27 C ATOM 2917 OD1 ASN A 223 46.855 13.671 67.600 1.00 43.25 O ATOM 2918 ND2 ASN A 223 47.756 15.289 68.697 1.00 40.56 N ATOM 0 H ASN A 223 48.208 14.410 64.630 1.00 27.55 H new ATOM 0 HA ASN A 223 46.245 14.424 65.218 1.00 29.37 H new ATOM 0 HB2 ASN A 223 46.946 16.736 66.752 1.00 34.12 H new ATOM 0 HB3 ASN A 223 45.537 16.085 66.895 1.00 34.12 H new ATOM 0 HD21 ASN A 223 48.076 14.724 69.261 1.00 40.56 H new ATOM 0 HD22 ASN A 223 47.909 16.129 68.797 1.00 40.56 H new ATOM 2925 N LYS A 224 46.219 16.469 63.181 1.00 24.84 N ATOM 2926 CA LYS A 224 45.486 17.311 62.181 1.00 23.57 C ATOM 2927 C LYS A 224 45.475 16.488 60.876 1.00 21.68 C ATOM 2928 O LYS A 224 46.184 16.866 59.950 1.00 19.61 O ATOM 2929 CB LYS A 224 46.219 18.652 61.891 1.00 25.53 C ATOM 2930 CG LYS A 224 46.069 19.647 63.080 1.00 29.03 C ATOM 2931 CD LYS A 224 44.569 20.077 63.227 1.00 31.61 C ATOM 2932 CE LYS A 224 44.371 20.954 64.482 1.00 33.40 C ATOM 2933 NZ LYS A 224 42.932 21.293 64.621 0.47 31.36 N ATOM 0 H LYS A 224 46.980 16.181 62.902 1.00 24.84 H new ATOM 0 HA LYS A 224 44.603 17.527 62.519 1.00 23.57 H new ATOM 0 HB2 LYS A 224 47.159 18.480 61.727 1.00 25.53 H new ATOM 0 HB3 LYS A 224 45.859 19.052 61.084 1.00 25.53 H new ATOM 0 HG2 LYS A 224 46.377 19.232 63.901 1.00 29.03 H new ATOM 0 HG3 LYS A 224 46.625 20.428 62.931 1.00 29.03 H new ATOM 0 HD2 LYS A 224 44.290 20.567 62.438 1.00 31.61 H new ATOM 0 HD3 LYS A 224 44.006 19.289 63.286 1.00 31.61 H new ATOM 0 HE2 LYS A 224 44.681 20.482 65.271 1.00 33.40 H new ATOM 0 HE3 LYS A 224 44.899 21.764 64.410 1.00 33.40 H new ATOM 0 HZ1 LYS A 224 42.832 21.912 65.253 0.47 31.36 H new ATOM 0 HZ2 LYS A 224 42.625 21.607 63.847 0.47 31.36 H new ATOM 0 HZ3 LYS A 224 42.475 20.563 64.847 0.47 31.36 H new ATOM 2947 N PRO A 225 44.713 15.410 60.815 1.00 19.04 N ATOM 2948 CA PRO A 225 44.624 14.567 59.571 1.00 20.15 C ATOM 2949 C PRO A 225 43.934 15.299 58.395 1.00 19.27 C ATOM 2950 O PRO A 225 43.315 16.343 58.560 1.00 18.94 O ATOM 2951 CB PRO A 225 43.875 13.296 60.018 1.00 20.87 C ATOM 2952 CG PRO A 225 42.979 13.809 61.203 1.00 21.19 C ATOM 2953 CD PRO A 225 43.861 14.874 61.918 1.00 20.38 C ATOM 0 HA PRO A 225 45.501 14.358 59.213 1.00 20.15 H new ATOM 0 HB2 PRO A 225 43.341 12.923 59.299 1.00 20.87 H new ATOM 0 HB3 PRO A 225 44.487 12.601 60.306 1.00 20.87 H new ATOM 0 HG2 PRO A 225 42.150 14.195 60.879 1.00 21.19 H new ATOM 0 HG3 PRO A 225 42.739 13.086 61.804 1.00 21.19 H new ATOM 0 HD2 PRO A 225 43.322 15.570 62.325 1.00 20.38 H new ATOM 0 HD3 PRO A 225 44.396 14.480 62.625 1.00 20.38 H new ATOM 2961 N GLY A 226 44.056 14.721 57.244 1.00 17.98 N ATOM 2962 CA GLY A 226 43.421 15.364 56.078 1.00 17.84 C ATOM 2963 C GLY A 226 41.913 15.083 56.121 1.00 16.45 C ATOM 2964 O GLY A 226 41.509 14.072 56.678 1.00 16.96 O ATOM 0 H GLY A 226 44.478 13.987 57.090 1.00 17.98 H new ATOM 0 HA2 GLY A 226 43.585 16.320 56.090 1.00 17.84 H new ATOM 0 HA3 GLY A 226 43.804 15.021 55.255 1.00 17.84 H new ATOM 2968 N VAL A 227 41.165 15.990 55.532 1.00 14.55 N ATOM 2969 CA VAL A 227 39.679 15.900 55.459 1.00 13.71 C ATOM 2970 C VAL A 227 39.382 15.779 53.961 1.00 12.22 C ATOM 2971 O VAL A 227 39.899 16.514 53.141 1.00 11.72 O ATOM 2972 CB VAL A 227 39.059 17.188 56.097 1.00 13.06 C ATOM 2973 CG1 VAL A 227 37.553 16.975 56.200 1.00 13.17 C ATOM 2974 CG2 VAL A 227 39.636 17.422 57.530 1.00 14.93 C ATOM 0 H VAL A 227 41.487 16.691 55.153 1.00 14.55 H new ATOM 0 HA VAL A 227 39.300 15.151 55.945 1.00 13.71 H new ATOM 0 HB VAL A 227 39.270 17.960 55.549 1.00 13.06 H new ATOM 0 HG11 VAL A 227 37.141 17.760 56.593 1.00 13.17 H new ATOM 0 HG12 VAL A 227 37.186 16.827 55.315 1.00 13.17 H new ATOM 0 HG13 VAL A 227 37.373 16.202 56.758 1.00 13.17 H new ATOM 0 HG21 VAL A 227 39.242 18.223 57.911 1.00 14.93 H new ATOM 0 HG22 VAL A 227 39.426 16.660 58.092 1.00 14.93 H new ATOM 0 HG23 VAL A 227 40.599 17.529 57.478 1.00 14.93 H new ATOM 2984 N TYR A 228 38.540 14.826 53.699 1.00 12.03 N ATOM 2985 CA TYR A 228 38.095 14.466 52.332 1.00 14.18 C ATOM 2986 C TYR A 228 36.567 14.505 52.136 1.00 13.66 C ATOM 2987 O TYR A 228 35.851 14.249 53.087 1.00 12.84 O ATOM 2988 CB TYR A 228 38.610 13.038 52.059 1.00 13.31 C ATOM 2989 CG TYR A 228 40.117 12.986 52.293 1.00 13.58 C ATOM 2990 CD1 TYR A 228 40.935 13.197 51.190 1.00 14.67 C ATOM 2991 CD2 TYR A 228 40.679 12.787 53.554 1.00 13.34 C ATOM 2992 CE1 TYR A 228 42.288 13.217 51.334 1.00 15.27 C ATOM 2993 CE2 TYR A 228 42.051 12.806 53.705 1.00 14.03 C ATOM 2994 CZ TYR A 228 42.857 13.024 52.593 1.00 15.67 C ATOM 2995 OH TYR A 228 44.228 13.096 52.639 1.00 16.97 O ATOM 0 H TYR A 228 38.184 14.339 54.312 1.00 12.03 H new ATOM 0 HA TYR A 228 38.452 15.123 51.714 1.00 14.18 H new ATOM 0 HB2 TYR A 228 38.161 12.405 52.641 1.00 13.31 H new ATOM 0 HB3 TYR A 228 38.406 12.779 51.147 1.00 13.31 H new ATOM 0 HD1 TYR A 228 40.557 13.325 50.350 1.00 14.67 H new ATOM 0 HD2 TYR A 228 40.131 12.642 54.291 1.00 13.34 H new ATOM 0 HE1 TYR A 228 42.833 13.359 50.594 1.00 15.27 H new ATOM 0 HE2 TYR A 228 42.433 12.674 54.543 1.00 14.03 H new ATOM 0 HH TYR A 228 44.491 12.930 53.419 1.00 16.97 H new ATOM 3005 N THR A 229 36.161 14.807 50.919 1.00 12.28 N ATOM 3006 CA THR A 229 34.713 14.868 50.573 1.00 12.47 C ATOM 3007 C THR A 229 34.310 13.373 50.515 1.00 12.51 C ATOM 3008 O THR A 229 34.991 12.557 49.923 1.00 13.02 O ATOM 3009 CB THR A 229 34.547 15.513 49.204 1.00 14.42 C ATOM 3010 OG1 THR A 229 35.096 16.831 49.259 1.00 14.91 O ATOM 3011 CG2 THR A 229 33.082 15.663 48.894 1.00 14.93 C ATOM 0 H THR A 229 36.691 14.983 50.265 1.00 12.28 H new ATOM 0 HA THR A 229 34.179 15.384 51.197 1.00 12.47 H new ATOM 0 HB THR A 229 34.986 14.966 48.535 1.00 14.42 H new ATOM 0 HG1 THR A 229 34.838 17.270 48.591 1.00 14.91 H new ATOM 0 HG21 THR A 229 32.976 16.074 48.022 1.00 14.93 H new ATOM 0 HG22 THR A 229 32.660 14.790 48.893 1.00 14.93 H new ATOM 0 HG23 THR A 229 32.664 16.222 49.567 1.00 14.93 H new ATOM 3019 N LYS A 230 33.198 13.077 51.100 1.00 12.24 N ATOM 3020 CA LYS A 230 32.690 11.700 51.159 1.00 13.95 C ATOM 3021 C LYS A 230 31.830 11.476 49.920 1.00 13.92 C ATOM 3022 O LYS A 230 30.639 11.722 49.947 1.00 13.84 O ATOM 3023 CB LYS A 230 31.947 11.666 52.452 1.00 16.45 C ATOM 3024 CG LYS A 230 31.538 10.265 52.793 1.00 20.01 C ATOM 3025 CD LYS A 230 30.938 10.374 54.185 1.00 24.70 C ATOM 3026 CE LYS A 230 30.853 9.023 54.755 1.00 29.69 C ATOM 3027 NZ LYS A 230 29.969 9.124 55.942 1.00 32.93 N ATOM 0 H LYS A 230 32.692 13.656 51.486 1.00 12.24 H new ATOM 0 HA LYS A 230 33.352 10.991 51.146 1.00 13.95 H new ATOM 0 HB2 LYS A 230 32.504 12.026 53.160 1.00 16.45 H new ATOM 0 HB3 LYS A 230 31.161 12.232 52.394 1.00 16.45 H new ATOM 0 HG2 LYS A 230 30.893 9.920 52.156 1.00 20.01 H new ATOM 0 HG3 LYS A 230 32.298 9.662 52.782 1.00 20.01 H new ATOM 0 HD2 LYS A 230 31.487 10.944 54.746 1.00 24.70 H new ATOM 0 HD3 LYS A 230 30.058 10.780 54.143 1.00 24.70 H new ATOM 0 HE2 LYS A 230 30.492 8.397 54.108 1.00 29.69 H new ATOM 0 HE3 LYS A 230 31.732 8.698 55.005 1.00 29.69 H new ATOM 0 HZ1 LYS A 230 29.889 8.323 56.321 1.00 32.93 H new ATOM 0 HZ2 LYS A 230 30.321 9.695 56.527 1.00 32.93 H new ATOM 0 HZ3 LYS A 230 29.166 9.415 55.691 1.00 32.93 H new ATOM 3041 N VAL A 231 32.481 11.013 48.887 1.00 13.26 N ATOM 3042 CA VAL A 231 31.813 10.743 47.572 1.00 14.01 C ATOM 3043 C VAL A 231 30.566 9.824 47.610 1.00 12.75 C ATOM 3044 O VAL A 231 29.653 10.040 46.838 1.00 12.34 O ATOM 3045 CB VAL A 231 32.913 10.188 46.611 1.00 13.85 C ATOM 3046 CG1 VAL A 231 32.340 9.925 45.214 1.00 15.63 C ATOM 3047 CG2 VAL A 231 34.041 11.198 46.392 1.00 13.34 C ATOM 0 H VAL A 231 33.323 10.836 48.896 1.00 13.26 H new ATOM 0 HA VAL A 231 31.437 11.581 47.260 1.00 14.01 H new ATOM 0 HB VAL A 231 33.240 9.378 47.033 1.00 13.85 H new ATOM 0 HG11 VAL A 231 33.040 9.582 44.636 1.00 15.63 H new ATOM 0 HG12 VAL A 231 31.623 9.274 45.275 1.00 15.63 H new ATOM 0 HG13 VAL A 231 31.994 10.753 44.845 1.00 15.63 H new ATOM 0 HG21 VAL A 231 34.703 10.819 45.792 1.00 13.34 H new ATOM 0 HG22 VAL A 231 33.678 12.009 46.002 1.00 13.34 H new ATOM 0 HG23 VAL A 231 34.458 11.407 47.242 1.00 13.34 H new ATOM 3057 N CYS A 232 30.534 8.835 48.477 1.00 13.78 N ATOM 3058 CA CYS A 232 29.343 7.916 48.523 1.00 15.17 C ATOM 3059 C CYS A 232 28.057 8.680 48.743 1.00 15.72 C ATOM 3060 O CYS A 232 27.028 8.183 48.379 1.00 18.99 O ATOM 3061 CB CYS A 232 29.550 6.855 49.636 1.00 15.79 C ATOM 3062 SG CYS A 232 29.707 7.450 51.318 1.00 18.27 S ATOM 0 H CYS A 232 31.156 8.658 49.043 1.00 13.78 H new ATOM 0 HA CYS A 232 29.267 7.470 47.665 1.00 15.17 H new ATOM 0 HB2 CYS A 232 28.803 6.237 49.605 1.00 15.79 H new ATOM 0 HB3 CYS A 232 30.348 6.347 49.422 1.00 15.79 H new ATOM 3067 N ASN A 233 28.129 9.861 49.290 1.00 15.76 N ATOM 3068 CA ASN A 233 26.900 10.689 49.531 1.00 16.37 C ATOM 3069 C ASN A 233 26.458 11.440 48.265 1.00 15.10 C ATOM 3070 O ASN A 233 25.382 11.996 48.241 1.00 16.95 O ATOM 3071 CB ASN A 233 27.131 11.806 50.586 1.00 16.64 C ATOM 3072 CG ASN A 233 27.277 11.285 52.024 1.00 19.24 C ATOM 3073 OD1 ASN A 233 27.226 10.096 52.270 1.00 20.12 O ATOM 3074 ND2 ASN A 233 27.449 12.125 53.011 1.00 22.13 N ATOM 0 H ASN A 233 28.863 10.231 49.541 1.00 15.76 H new ATOM 0 HA ASN A 233 26.236 10.048 49.829 1.00 16.37 H new ATOM 0 HB2 ASN A 233 27.930 12.302 50.349 1.00 16.64 H new ATOM 0 HB3 ASN A 233 26.389 12.430 50.551 1.00 16.64 H new ATOM 0 HD21 ASN A 233 27.524 11.833 53.816 1.00 22.13 H new ATOM 0 HD22 ASN A 233 27.487 12.970 52.855 1.00 22.13 H new ATOM 3081 N TYR A 234 27.269 11.443 47.258 1.00 13.86 N ATOM 3082 CA TYR A 234 26.954 12.180 45.996 1.00 14.44 C ATOM 3083 C TYR A 234 26.769 11.368 44.766 1.00 13.98 C ATOM 3084 O TYR A 234 26.666 11.934 43.694 1.00 15.35 O ATOM 3085 CB TYR A 234 28.121 13.185 45.717 1.00 14.18 C ATOM 3086 CG TYR A 234 28.338 14.148 46.864 1.00 14.98 C ATOM 3087 CD1 TYR A 234 27.580 15.293 46.944 1.00 15.52 C ATOM 3088 CD2 TYR A 234 29.277 13.871 47.840 1.00 14.40 C ATOM 3089 CE1 TYR A 234 27.760 16.157 47.981 1.00 15.46 C ATOM 3090 CE2 TYR A 234 29.454 14.731 48.886 1.00 15.61 C ATOM 3091 CZ TYR A 234 28.694 15.876 48.965 1.00 14.70 C ATOM 3092 OH TYR A 234 28.851 16.733 50.022 1.00 15.73 O ATOM 0 H TYR A 234 28.024 11.031 47.249 1.00 13.86 H new ATOM 0 HA TYR A 234 26.092 12.592 46.164 1.00 14.44 H new ATOM 0 HB2 TYR A 234 28.939 12.690 45.554 1.00 14.18 H new ATOM 0 HB3 TYR A 234 27.927 13.686 44.909 1.00 14.18 H new ATOM 0 HD1 TYR A 234 26.945 15.477 46.290 1.00 15.52 H new ATOM 0 HD2 TYR A 234 29.790 13.097 47.784 1.00 14.40 H new ATOM 0 HE1 TYR A 234 27.255 16.937 48.029 1.00 15.46 H new ATOM 0 HE2 TYR A 234 30.086 14.544 49.542 1.00 15.61 H new ATOM 0 HH TYR A 234 28.284 17.350 49.969 1.00 15.73 H new ATOM 3102 N VAL A 235 26.725 10.085 44.892 1.00 15.76 N ATOM 3103 CA VAL A 235 26.563 9.278 43.662 1.00 17.34 C ATOM 3104 C VAL A 235 25.287 9.574 42.866 1.00 15.45 C ATOM 3105 O VAL A 235 25.403 9.677 41.656 1.00 15.61 O ATOM 3106 CB VAL A 235 26.686 7.761 44.102 1.00 17.95 C ATOM 3107 CG1 VAL A 235 26.397 6.854 42.875 1.00 20.05 C ATOM 3108 CG2 VAL A 235 28.148 7.489 44.577 1.00 17.18 C ATOM 0 H VAL A 235 26.781 9.647 45.630 1.00 15.76 H new ATOM 0 HA VAL A 235 27.258 9.514 43.027 1.00 17.34 H new ATOM 0 HB VAL A 235 26.057 7.575 44.816 1.00 17.95 H new ATOM 0 HG11 VAL A 235 26.470 5.923 43.136 1.00 20.05 H new ATOM 0 HG12 VAL A 235 25.501 7.028 42.548 1.00 20.05 H new ATOM 0 HG13 VAL A 235 27.039 7.044 42.173 1.00 20.05 H new ATOM 0 HG21 VAL A 235 28.233 6.562 44.849 1.00 17.18 H new ATOM 0 HG22 VAL A 235 28.764 7.670 43.850 1.00 17.18 H new ATOM 0 HG23 VAL A 235 28.357 8.066 45.328 1.00 17.18 H new ATOM 3118 N SER A 236 24.153 9.719 43.499 1.00 14.30 N ATOM 3119 CA SER A 236 22.951 9.994 42.694 1.00 14.88 C ATOM 3120 C SER A 236 23.070 11.379 42.091 1.00 14.62 C ATOM 3121 O SER A 236 22.653 11.515 40.964 1.00 15.69 O ATOM 3122 CB ASER A 236 21.728 9.908 43.602 0.22 13.80 C ATOM 3123 CB BSER A 236 21.704 9.884 43.591 0.28 16.87 C ATOM 3124 OG ASER A 236 22.077 8.836 44.492 0.22 13.80 O ATOM 3125 OG BSER A 236 22.116 10.529 44.780 0.28 18.48 O ATOM 0 H SER A 236 24.039 9.669 44.350 1.00 14.30 H new ATOM 0 HA SER A 236 22.861 9.347 41.977 1.00 14.88 H new ATOM 0 HB2ASER A 236 21.574 10.738 44.079 0.22 16.87 H new ATOM 0 HB2BSER A 236 20.935 10.320 43.193 0.28 16.87 H new ATOM 0 HB3ASER A 236 20.920 9.714 43.102 0.22 16.87 H new ATOM 0 HB3BSER A 236 21.455 8.960 43.750 0.28 16.87 H new ATOM 0 HG ASER A 236 21.453 8.713 45.041 0.22 18.48 H new ATOM 0 HG BSER A 236 21.947 11.350 44.727 0.28 18.48 H new ATOM 3134 N TRP A 237 23.600 12.329 42.821 1.00 14.00 N ATOM 3135 CA TRP A 237 23.750 13.709 42.242 1.00 15.49 C ATOM 3136 C TRP A 237 24.710 13.576 41.016 1.00 14.64 C ATOM 3137 O TRP A 237 24.468 14.137 39.966 1.00 13.92 O ATOM 3138 CB TRP A 237 24.384 14.744 43.291 1.00 15.50 C ATOM 3139 CG TRP A 237 24.685 16.084 42.590 1.00 14.58 C ATOM 3140 CD1 TRP A 237 23.747 16.974 42.135 1.00 16.57 C ATOM 3141 CD2 TRP A 237 25.920 16.575 42.282 1.00 15.81 C ATOM 3142 NE1 TRP A 237 24.465 17.946 41.576 1.00 16.92 N ATOM 3143 CE2 TRP A 237 25.789 17.804 41.611 1.00 15.52 C ATOM 3144 CE3 TRP A 237 27.205 16.058 42.517 1.00 16.78 C ATOM 3145 CZ2 TRP A 237 26.945 18.476 41.197 1.00 16.11 C ATOM 3146 CZ3 TRP A 237 28.347 16.741 42.099 1.00 15.57 C ATOM 3147 CH2 TRP A 237 28.221 17.947 41.440 1.00 14.25 C ATOM 0 H TRP A 237 23.880 12.234 43.629 1.00 14.00 H new ATOM 0 HA TRP A 237 22.876 14.052 41.998 1.00 15.49 H new ATOM 0 HB2 TRP A 237 23.770 14.886 44.028 1.00 15.50 H new ATOM 0 HB3 TRP A 237 25.199 14.377 43.668 1.00 15.50 H new ATOM 0 HD1 TRP A 237 22.821 16.913 42.201 1.00 16.57 H new ATOM 0 HE1 TRP A 237 24.093 18.630 41.211 1.00 16.92 H new ATOM 0 HE3 TRP A 237 27.296 15.245 42.960 1.00 16.78 H new ATOM 0 HZ2 TRP A 237 26.865 19.289 40.752 1.00 16.11 H new ATOM 0 HZ3 TRP A 237 29.190 16.385 42.264 1.00 15.57 H new ATOM 0 HH2 TRP A 237 28.979 18.407 41.158 1.00 14.25 H new ATOM 3158 N ILE A 238 25.788 12.846 41.157 1.00 14.62 N ATOM 3159 CA ILE A 238 26.737 12.701 40.004 1.00 14.22 C ATOM 3160 C ILE A 238 26.062 12.018 38.804 1.00 15.16 C ATOM 3161 O ILE A 238 26.055 12.513 37.679 1.00 15.35 O ATOM 3162 CB ILE A 238 27.980 11.873 40.486 1.00 15.53 C ATOM 3163 CG1 ILE A 238 28.821 12.727 41.506 1.00 13.77 C ATOM 3164 CG2 ILE A 238 28.856 11.485 39.251 1.00 13.38 C ATOM 3165 CD1 ILE A 238 29.943 11.864 42.123 1.00 15.01 C ATOM 0 H ILE A 238 26.011 12.427 41.874 1.00 14.62 H new ATOM 0 HA ILE A 238 27.018 13.581 39.708 1.00 14.22 H new ATOM 0 HB ILE A 238 27.682 11.063 40.929 1.00 15.53 H new ATOM 0 HG12 ILE A 238 29.205 13.496 41.056 1.00 13.77 H new ATOM 0 HG13 ILE A 238 28.243 13.068 42.207 1.00 13.77 H new ATOM 0 HG21 ILE A 238 29.625 10.973 39.547 1.00 13.38 H new ATOM 0 HG22 ILE A 238 28.330 10.951 38.636 1.00 13.38 H new ATOM 0 HG23 ILE A 238 29.158 12.290 38.802 1.00 13.38 H new ATOM 0 HD11 ILE A 238 30.455 12.399 42.750 1.00 15.01 H new ATOM 0 HD12 ILE A 238 29.551 11.108 42.588 1.00 15.01 H new ATOM 0 HD13 ILE A 238 30.528 11.542 41.419 1.00 15.01 H new ATOM 3177 N LYS A 239 25.491 10.878 39.055 1.00 15.11 N ATOM 3178 CA LYS A 239 24.847 10.190 37.912 1.00 17.47 C ATOM 3179 C LYS A 239 23.747 11.001 37.221 1.00 16.38 C ATOM 3180 O LYS A 239 23.653 10.970 36.015 1.00 18.24 O ATOM 3181 CB LYS A 239 24.273 8.868 38.395 1.00 18.83 C ATOM 3182 CG LYS A 239 25.452 7.931 38.731 1.00 21.58 C ATOM 3183 CD LYS A 239 24.883 6.505 39.046 1.00 22.69 C ATOM 3184 CE LYS A 239 26.014 5.592 39.479 0.16 22.60 C ATOM 3185 NZ LYS A 239 25.488 4.214 39.642 0.16 22.73 N ATOM 0 H LYS A 239 25.450 10.483 39.818 1.00 15.11 H new ATOM 0 HA LYS A 239 25.539 10.060 37.244 1.00 17.47 H new ATOM 0 HB2 LYS A 239 23.716 9.006 39.177 1.00 18.83 H new ATOM 0 HB3 LYS A 239 23.710 8.473 37.711 1.00 18.83 H new ATOM 0 HG2 LYS A 239 26.072 7.889 37.986 1.00 21.58 H new ATOM 0 HG3 LYS A 239 25.947 8.272 39.493 1.00 21.58 H new ATOM 0 HD2 LYS A 239 24.214 6.561 39.746 1.00 22.69 H new ATOM 0 HD3 LYS A 239 24.443 6.141 38.262 1.00 22.69 H new ATOM 0 HE2 LYS A 239 26.725 5.603 38.819 0.16 22.60 H new ATOM 0 HE3 LYS A 239 26.397 5.905 40.313 0.16 22.60 H new ATOM 0 HZ1 LYS A 239 26.147 3.673 39.896 0.16 22.73 H new ATOM 0 HZ2 LYS A 239 24.848 4.212 40.260 0.16 22.73 H new ATOM 0 HZ3 LYS A 239 25.153 3.930 38.868 0.16 22.73 H new ATOM 3199 N GLN A 240 22.966 11.702 37.976 1.00 17.23 N ATOM 3200 CA GLN A 240 21.854 12.516 37.412 1.00 17.68 C ATOM 3201 C GLN A 240 22.410 13.696 36.662 1.00 17.39 C ATOM 3202 O GLN A 240 21.913 14.011 35.596 1.00 17.68 O ATOM 3203 CB GLN A 240 20.948 12.924 38.616 1.00 18.83 C ATOM 3204 CG GLN A 240 19.614 13.529 38.191 0.18 17.92 C ATOM 3205 CD GLN A 240 18.577 13.071 39.232 0.18 18.24 C ATOM 3206 OE1 GLN A 240 18.881 12.855 40.388 0.18 17.93 O ATOM 3207 NE2 GLN A 240 17.343 12.909 38.867 0.18 17.61 N ATOM 0 H GLN A 240 23.036 11.743 38.832 1.00 17.23 H new ATOM 0 HA GLN A 240 21.324 12.022 36.767 1.00 17.68 H new ATOM 0 HB2 GLN A 240 20.781 12.143 39.166 1.00 18.83 H new ATOM 0 HB3 GLN A 240 21.424 13.563 39.169 1.00 18.83 H new ATOM 0 HG2 GLN A 240 19.668 14.497 38.160 0.18 17.92 H new ATOM 0 HG3 GLN A 240 19.367 13.230 37.302 0.18 17.92 H new ATOM 0 HE21 GLN A 240 17.113 13.058 38.052 0.18 17.61 H new ATOM 0 HE22 GLN A 240 16.755 12.653 39.440 0.18 17.61 H new ATOM 3216 N THR A 241 23.407 14.298 37.228 1.00 14.26 N ATOM 3217 CA THR A 241 24.005 15.455 36.562 1.00 14.40 C ATOM 3218 C THR A 241 24.722 15.068 35.258 1.00 15.41 C ATOM 3219 O THR A 241 24.536 15.751 34.253 1.00 16.74 O ATOM 3220 CB THR A 241 25.008 16.153 37.532 1.00 15.93 C ATOM 3221 OG1 THR A 241 24.189 16.614 38.608 1.00 16.24 O ATOM 3222 CG2 THR A 241 25.602 17.431 36.898 1.00 16.14 C ATOM 0 H THR A 241 23.761 14.076 37.980 1.00 14.26 H new ATOM 0 HA THR A 241 23.288 16.065 36.328 1.00 14.40 H new ATOM 0 HB THR A 241 25.726 15.547 37.773 1.00 15.93 H new ATOM 0 HG1 THR A 241 24.126 16.012 39.190 1.00 16.24 H new ATOM 0 HG21 THR A 241 26.221 17.844 37.521 1.00 16.14 H new ATOM 0 HG22 THR A 241 26.072 17.199 36.082 1.00 16.14 H new ATOM 0 HG23 THR A 241 24.887 18.053 36.693 1.00 16.14 H new ATOM 3230 N ILE A 242 25.509 14.030 35.249 1.00 15.53 N ATOM 3231 CA ILE A 242 26.188 13.731 33.947 1.00 17.79 C ATOM 3232 C ILE A 242 25.204 13.246 32.875 1.00 17.99 C ATOM 3233 O ILE A 242 25.439 13.474 31.713 1.00 18.54 O ATOM 3234 CB ILE A 242 27.322 12.689 34.174 1.00 18.71 C ATOM 3235 CG1 ILE A 242 26.791 11.359 34.602 1.00 21.11 C ATOM 3236 CG2 ILE A 242 28.316 13.213 35.282 1.00 19.13 C ATOM 3237 CD1 ILE A 242 27.965 10.379 34.752 1.00 24.31 C ATOM 0 H ILE A 242 25.677 13.504 35.908 1.00 15.53 H new ATOM 0 HA ILE A 242 26.573 14.557 33.615 1.00 17.79 H new ATOM 0 HB ILE A 242 27.779 12.577 33.326 1.00 18.71 H new ATOM 0 HG12 ILE A 242 26.315 11.443 35.443 1.00 21.11 H new ATOM 0 HG13 ILE A 242 26.157 11.025 33.949 1.00 21.11 H new ATOM 0 HG21 ILE A 242 29.020 12.561 35.420 1.00 19.13 H new ATOM 0 HG22 ILE A 242 28.706 14.054 34.996 1.00 19.13 H new ATOM 0 HG23 ILE A 242 27.833 13.347 36.113 1.00 19.13 H new ATOM 0 HD11 ILE A 242 27.630 9.512 35.030 1.00 24.31 H new ATOM 0 HD12 ILE A 242 28.424 10.291 33.902 1.00 24.31 H new ATOM 0 HD13 ILE A 242 28.584 10.715 35.419 1.00 24.31 H new ATOM 3249 N ALA A 243 24.135 12.604 33.279 1.00 16.70 N ATOM 3250 CA ALA A 243 23.138 12.100 32.272 1.00 17.60 C ATOM 3251 C ALA A 243 22.336 13.260 31.683 1.00 17.75 C ATOM 3252 O ALA A 243 21.824 13.151 30.580 1.00 18.59 O ATOM 3253 CB ALA A 243 22.154 11.068 32.941 1.00 16.58 C ATOM 0 H ALA A 243 23.943 12.437 34.101 1.00 16.70 H new ATOM 0 HA ALA A 243 23.627 11.659 31.560 1.00 17.60 H new ATOM 0 HB1 ALA A 243 21.518 10.752 32.280 1.00 16.58 H new ATOM 0 HB2 ALA A 243 22.660 10.316 33.288 1.00 16.58 H new ATOM 0 HB3 ALA A 243 21.678 11.499 33.668 1.00 16.58 H new ATOM 3259 N SER A 244 22.234 14.334 32.409 1.00 17.67 N ATOM 3260 CA SER A 244 21.461 15.472 31.874 1.00 20.18 C ATOM 3261 C SER A 244 22.358 16.579 31.302 1.00 18.69 C ATOM 3262 O SER A 244 21.839 17.651 31.042 1.00 22.32 O ATOM 3263 CB SER A 244 20.619 16.046 33.002 1.00 22.53 C ATOM 3264 OG SER A 244 20.012 14.912 33.607 1.00 27.84 O ATOM 0 H SER A 244 22.581 14.447 33.188 1.00 17.67 H new ATOM 0 HA SER A 244 20.910 15.146 31.146 1.00 20.18 H new ATOM 0 HB2 SER A 244 21.166 16.535 33.637 1.00 22.53 H new ATOM 0 HB3 SER A 244 19.953 16.665 32.665 1.00 22.53 H new ATOM 0 HG SER A 244 20.491 14.644 34.243 1.00 27.84 H new ATOM 3270 N ASN A 245 23.626 16.331 31.121 1.00 17.65 N ATOM 3271 CA ASN A 245 24.558 17.367 30.579 1.00 18.10 C ATOM 3272 C ASN A 245 25.518 16.809 29.498 1.00 18.62 C ATOM 3273 O ASN A 245 26.271 17.642 29.026 1.00 19.42 O ATOM 3274 CB ASN A 245 25.368 17.987 31.795 1.00 17.58 C ATOM 3275 CG ASN A 245 24.477 18.917 32.639 1.00 17.16 C ATOM 3276 OD1 ASN A 245 24.307 20.102 32.386 1.00 19.37 O ATOM 3277 ND2 ASN A 245 23.850 18.444 33.670 1.00 18.05 N ATOM 3278 OXT ASN A 245 25.471 15.622 29.203 1.00 18.87 O ATOM 0 H ASN A 245 23.998 15.576 31.297 1.00 17.65 H new ATOM 0 HA ASN A 245 24.035 18.051 30.134 1.00 18.10 H new ATOM 0 HB2 ASN A 245 25.716 17.274 32.353 1.00 17.58 H new ATOM 0 HB3 ASN A 245 26.131 18.483 31.460 1.00 17.58 H new ATOM 0 HD21 ASN A 245 23.344 18.958 34.139 1.00 18.05 H new ATOM 0 HD22 ASN A 245 23.940 17.616 33.885 1.00 18.05 H new TER 3285 ASN A 245 HETATM 3286 CA CA A 247 54.080 14.803 31.051 1.00 29.38 CA HETATM 3287 MG MG A 263 45.668 14.919 43.226 1.00 16.48 MG HETATM 3288 ZN ZN A 409 43.272 22.565 48.075 1.00 20.65 ZN HETATM 3289 ZN ZN A 410 46.229 27.568 49.951 0.44 33.67 ZN HETATM 3290 ZN ZN A 411 45.822 24.694 52.880 0.58 52.50 ZN HETATM 3291 C1 BAK A 246 45.228 19.527 52.843 1.00 24.78 C HETATM 3292 C2 BAK A 246 44.641 19.139 51.595 1.00 23.78 C HETATM 3293 C3 BAK A 246 44.246 20.050 50.603 1.00 25.95 C HETATM 3294 C4 BAK A 246 44.475 21.378 50.895 1.00 27.62 C HETATM 3295 C5 BAK A 246 45.019 21.786 52.081 1.00 27.06 C HETATM 3296 C6 BAK A 246 45.410 20.917 53.061 1.00 26.00 C HETATM 3297 C7 BAK A 246 45.624 18.610 53.811 1.00 21.54 C HETATM 3298 C8 BAK A 246 44.634 23.477 50.905 1.00 31.20 C HETATM 3299 C9 BAK A 246 44.634 24.854 50.399 0.53 33.20 C HETATM 3300 N1 BAK A 246 46.405 19.040 54.753 1.00 20.85 N HETATM 3301 N2 BAK A 246 45.229 17.372 53.740 1.00 22.97 N HETATM 3302 N3 BAK A 246 44.249 22.449 50.206 1.00 27.49 N HETATM 3303 N4 BAK A 246 45.119 23.091 52.081 1.00 30.13 N HETATM 3304 C1' BAK A 246 43.581 27.312 45.145 0.53 36.72 C HETATM 3305 C2' BAK A 246 43.416 25.936 44.789 0.53 34.88 C HETATM 3306 C3' BAK A 246 43.572 24.913 45.737 0.53 34.75 C HETATM 3307 C4' BAK A 246 43.888 25.316 47.019 0.53 35.92 C HETATM 3308 C5' BAK A 246 44.042 26.590 47.390 0.53 36.95 C HETATM 3309 C6' BAK A 246 43.907 27.628 46.498 0.53 37.41 C HETATM 3310 C7' BAK A 246 43.453 28.327 44.219 0.53 37.95 C HETATM 3311 C8' BAK A 246 44.364 25.402 49.075 0.53 34.98 C HETATM 3312 N1' BAK A 246 43.914 29.525 44.536 0.53 38.60 N HETATM 3313 N2' BAK A 246 42.883 28.046 43.079 0.53 37.86 N HETATM 3314 N3' BAK A 246 44.097 24.641 48.085 0.53 34.07 N HETATM 3315 N4' BAK A 246 44.336 26.648 48.672 0.53 37.21 N HETATM 3316 O9 BAK A 246 44.848 25.732 51.238 0.53 33.32 O HETATM 0 HN4' BAK A 246 44.479 27.353 49.144 0.53 37.21 H new HETATM 0 HH22 BAK A 246 45.475 16.807 54.340 1.00 22.97 H new HETATM 0 HH21 BAK A 246 44.722 17.119 53.093 1.00 22.97 H new HETATM 0 HH12 BAK A 246 46.671 18.503 55.370 1.00 20.85 H new HETATM 0 HH11 BAK A 246 46.657 19.862 54.761 1.00 20.85 H new HETATM 0 H2'2 BAK A 246 42.789 28.658 42.483 0.53 37.86 H new HETATM 0 H2'1 BAK A 246 42.601 27.248 42.924 0.53 37.86 H new HETATM 0 H1'2 BAK A 246 43.846 30.174 43.976 0.53 38.60 H new HETATM 0 H1'1 BAK A 246 44.282 29.655 45.302 0.53 38.60 H new HETATM 0 H6' BAK A 246 44.030 28.548 46.780 0.53 37.41 H new HETATM 0 H6 BAK A 246 45.803 21.243 53.886 1.00 26.00 H new HETATM 0 H3' BAK A 246 43.464 23.977 45.505 0.53 34.75 H new HETATM 0 H3 BAK A 246 43.840 19.765 49.769 1.00 25.95 H new HETATM 0 H2' BAK A 246 43.192 25.706 43.874 0.53 34.88 H new HETATM 0 H2 BAK A 246 44.509 18.193 51.426 1.00 23.78 H new HETATM 3331 O HOH A 248 38.760 13.080 42.603 1.00 18.02 O HETATM 3334 O HOH A 249 34.938 18.694 52.383 1.00 20.56 O HETATM 3337 O HOH A 250 47.557 16.774 42.225 1.00 17.17 O HETATM 3340 O HOH A 251 54.978 8.629 39.709 1.00 17.30 O HETATM 3343 O HOH A 252 48.093 18.508 58.757 1.00 24.89 O HETATM 3346 O HOH A 253 55.829 12.807 49.141 1.00 31.25 O HETATM 3349 O HOH A 254 52.720 15.230 45.838 1.00 18.51 O HETATM 3352 O HOH A 255 49.433 20.132 34.324 1.00 17.02 O HETATM 3355 O HOH A 256 52.194 5.056 51.768 1.00 32.85 O HETATM 3358 O HOH A 257 36.569 10.190 59.516 1.00 16.15 O HETATM 3361 O HOH A 258 48.182 7.662 33.691 1.00 24.72 O HETATM 3364 O HOH A 259 42.037 13.455 66.921 1.00 48.84 O HETATM 3367 O HOH A 260 48.221 14.898 59.073 1.17 42.73 O HETATM 3370 O HOH A 261 51.864 8.790 36.385 1.00 24.72 O HETATM 3373 O HOH A 262 52.078 23.958 32.521 1.00 22.79 O HETATM 3376 O HOH A 264 32.276 18.100 51.878 1.00 15.23 O HETATM 3379 O HOH A 265 45.578 12.536 54.804 1.00 19.95 O HETATM 3382 O HOH A 266 47.391 12.572 57.895 1.00 24.01 O HETATM 3385 O HOH A 267 52.977 10.678 29.901 1.00 18.34 O HETATM 3388 O HOH A 268 51.380 18.977 32.546 1.00 16.75 O HETATM 3391 O HOH A 269 47.112 12.720 34.165 1.00 17.24 O HETATM 3394 O HOH A 270 48.056 9.747 35.519 1.00 21.97 O HETATM 3397 O HOH A 271 53.330 16.861 30.278 1.00 18.31 O HETATM 3400 O HOH A 272 30.839 26.126 32.819 1.00 22.20 O HETATM 3403 O HOH A 273 27.210 13.107 29.465 1.00 25.09 O HETATM 3406 O HOH A 274 52.906 22.948 36.320 1.00 23.45 O HETATM 3409 O HOH A 275 45.133 9.748 33.539 1.00 19.76 O HETATM 3412 O HOH A 276 49.542 7.422 37.090 1.00 23.47 O HETATM 3415 O HOH A 277 57.410 8.354 38.408 1.00 26.53 O HETATM 3418 O HOH A 278 31.063 29.639 46.199 1.00 18.99 O HETATM 3421 O HOH A 279 29.820 28.818 48.483 1.00 18.20 O HETATM 3424 O HOH A 280 44.539 7.307 44.012 1.00 16.16 O HETATM 3427 O HOH A 281 32.692 7.932 50.280 1.00 14.99 O HETATM 3430 O HOH A 282 33.717 23.063 58.152 1.00 25.47 O HETATM 3433 O AHOH A 283 33.652 18.468 64.035 0.50 26.99 O HETATM 3436 O HOH A 284 41.224 3.845 61.316 1.00 35.41 O HETATM 3439 O HOH A 285 41.593 6.972 65.134 1.00 47.06 O HETATM 3442 O HOH A 286 32.914 6.366 28.869 1.00 25.30 O HETATM 3445 O HOH A 287 53.874 22.102 33.652 1.00 34.28 O HETATM 3448 O HOH A 288 59.781 6.894 46.043 1.00 45.52 O HETATM 3451 O HOH A 289 46.975 25.899 29.589 1.00 46.86 O HETATM 3454 O HOH A 290 46.380 6.042 61.167 1.00 29.91 O HETATM 3457 O HOH A 291 41.803 -0.107 45.078 1.00 34.00 O HETATM 3460 O HOH A 292 32.934 6.592 52.748 1.00 39.28 O HETATM 3463 O HOH A 293 41.219 -1.962 43.145 1.00 25.15 O HETATM 3466 O HOH A 294 27.434 10.214 30.510 1.00 26.26 O HETATM 3469 O HOH A 295 27.527 13.713 26.557 1.00 29.57 O HETATM 3472 O AHOH A 296 55.149 20.351 27.806 0.50 49.80 O HETATM 3475 O HOH A 297 34.593 7.056 59.183 1.00 39.67 O HETATM 3478 O HOH A 298 39.655 27.433 62.427 1.00 39.43 O HETATM 3481 O BHOH A 299 54.317 19.260 29.577 0.50 20.73 O HETATM 3484 O HOH A 300 25.225 9.287 31.991 1.00 24.45 O HETATM 3487 O HOH A 301 35.316 1.095 48.945 1.00 25.60 O HETATM 3490 O HOH A 303 46.722 7.621 63.304 1.00 39.70 O HETATM 3493 O HOH A 304 32.332 10.327 57.566 1.00 56.09 O HETATM 3496 O HOH A 305 30.812 22.983 59.120 1.00 27.22 O HETATM 3499 O HOH A 306 40.416 5.269 63.461 1.00 42.06 O HETATM 3502 O HOH A 307 29.300 7.020 34.840 1.00 41.80 O HETATM 3505 O HOH A 308 50.527 16.124 22.895 1.00 52.84 O HETATM 3508 O HOH A 309 54.132 12.509 31.440 1.00 18.44 O HETATM 3511 O HOH A 310 24.760 8.597 34.625 1.00 24.92 O HETATM 3514 O HOH A 312 44.171 2.528 42.334 1.00 47.27 O HETATM 3517 O HOH A 313 24.042 15.765 46.617 1.00 29.17 O HETATM 3520 O HOH A 314 36.120 28.142 47.130 1.00 27.84 O HETATM 3523 O HOH A 316 57.561 14.274 51.745 1.00 30.70 O HETATM 3526 O BHOH A 317 31.981 18.299 63.660 0.50 53.69 O HETATM 3529 O HOH A 318 27.071 23.933 54.851 1.00 45.18 O HETATM 3532 O HOH A 319 51.933 22.281 57.897 1.00 56.18 O HETATM 3535 O HOH A 320 33.317 6.158 62.382 1.00 46.46 O HETATM 3538 O HOH A 321 32.368 28.108 44.139 1.00 20.13 O HETATM 3541 O HOH A 322 32.136 15.869 25.446 1.00 57.40 O HETATM 3544 O HOH A 323 46.854 8.172 26.313 1.00 28.15 O HETATM 3547 O HOH A 324 31.033 0.705 40.949 1.00 56.39 O HETATM 3550 O HOH A 325 42.599 16.499 52.454 1.00 18.31 O HETATM 3553 O HOH A 330 54.168 8.345 30.544 1.00 48.22 O HETATM 3556 O HOH A 332 40.921 30.018 49.728 1.00 55.07 O HETATM 3559 O AHOH A 333 37.407 24.784 56.606 0.50 43.89 O HETATM 3562 O BHOH A 334 38.509 25.602 56.751 0.50 40.60 O HETATM 3565 O HOH A 335 36.767 30.389 58.620 1.00 41.39 O HETATM 3568 O HOH A 336 37.837 27.875 49.420 1.00 55.45 O HETATM 3571 O HOH A 337 41.269 23.793 51.178 1.00 32.66 O HETATM 3574 O HOH A 338 26.124 17.126 59.117 1.00 43.08 O HETATM 3577 O HOH A 339 24.863 14.821 61.261 1.00 45.85 O HETATM 3580 O HOH A 340 21.242 18.029 59.302 1.00 53.48 O HETATM 3583 O HOH A 341 27.569 25.353 35.145 1.00 42.78 O HETATM 3586 O HOH A 342 25.704 25.173 32.442 1.00 57.00 O HETATM 3589 O HOH A 343 21.444 20.812 31.755 1.00 48.09 O HETATM 3592 O HOH A 344 35.365 26.136 34.171 1.00 48.72 O HETATM 3595 O HOH A 346 38.811 31.834 37.163 1.00 52.96 O HETATM 3598 O HOH A 349 29.792 27.683 59.844 1.00 42.11 O HETATM 3601 O HOH A 350 56.250 16.403 21.935 1.00 45.24 O HETATM 3604 O HOH A 351 36.896 30.260 55.825 1.00 20.58 O HETATM 3607 O HOH A 352 33.322 4.361 26.808 1.00 60.66 O HETATM 3610 O HOH A 353 41.843 -2.243 54.277 1.00 40.47 O HETATM 3613 O HOH A 355 51.137 -2.296 29.271 1.00 44.94 O HETATM 3616 O HOH A 356 46.586 -0.334 25.489 1.00 49.83 O HETATM 3619 O HOH A 357 41.013 2.392 36.819 1.00 47.60 O HETATM 3622 O HOH A 358 38.959 2.571 32.058 1.00 37.57 O HETATM 3625 O HOH A 363 48.905 25.936 57.951 1.00 46.57 O HETATM 3628 O HOH A 364 44.405 4.109 61.958 1.00 42.76 O HETATM 3631 O HOH A 365 59.890 15.252 41.175 1.00 48.66 O HETATM 3634 O HOH A 366 45.287 6.274 65.248 1.00 52.03 O HETATM 3637 O HOH A 370 49.717 7.690 63.646 1.00 58.47 O HETATM 3640 O HOH A 373 37.686 -1.640 58.376 1.00 25.36 O HETATM 3643 O HOH A 374 42.370 -0.260 48.779 1.00 55.10 O HETATM 3646 O HOH A 376 23.533 12.675 45.815 1.00 28.56 O HETATM 3649 O HOH A 377 54.136 21.783 30.471 1.00 42.83 O HETATM 3652 O HOH A 378 45.547 18.091 57.329 1.00 39.31 O HETATM 3655 O HOH A 379 44.209 24.790 56.412 1.00 43.64 O HETATM 3658 O HOH A 380 44.767 -1.898 71.056 1.00 48.85 O HETATM 3661 O HOH A 381 41.615 -1.464 71.255 1.00 35.40 O HETATM 3664 O HOH A 382 38.261 28.244 59.540 1.00 60.33 O HETATM 3667 O HOH A 383 57.643 29.730 59.505 1.00 54.76 O HETATM 3670 O HOH A 385 48.811 26.359 54.982 1.00 45.63 O HETATM 3673 O HOH A 389 47.620 13.990 61.798 1.00 47.83 O HETATM 3676 O HOH A 390 31.033 12.711 59.502 1.00 52.28 O HETATM 3679 O HOH A 392 57.186 13.843 56.904 1.00 54.40 O HETATM 3682 O HOH A 393 48.319 22.952 25.867 1.00 44.09 O HETATM 3685 O HOH A 394 63.545 16.601 29.542 1.00 60.03 O HETATM 3688 O HOH A 395 62.384 20.011 29.013 1.00 30.11 O HETATM 3691 O HOH A 396 32.816 5.735 37.058 1.00 37.00 O HETATM 3694 O HOH A 397 36.791 24.719 65.777 1.00 55.26 O HETATM 3697 O HOH A 401 23.024 30.536 59.383 1.00 53.95 O HETATM 3700 O HOH A 404 18.297 32.372 59.975 1.00 50.62 O HETATM 3703 O HOH A 406 17.344 24.796 60.084 1.00 33.19 O HETATM 3706 O HOH A 407 46.556 27.850 42.934 1.00 58.92 O HETATM 3709 O HOH A 408 30.009 34.994 49.809 1.00 59.64 O HETATM 3712 O HOH A 413 43.658 28.238 50.795 1.00 55.53 O HETATM 3715 O HOH A 414 45.914 28.700 53.261 1.00 55.82 O HETATM 3718 O HOH A 415 20.823 18.347 23.929 1.00 50.24 O HETATM 3721 O HOH A 421 27.332 11.362 59.668 1.00 47.32 O HETATM 3724 O HOH A 432 32.063 32.015 47.184 1.00 42.14 O HETATM 3727 O HOH A 436 25.653 15.331 24.677 1.00 40.99 O HETATM 3730 O HOH A 438 30.643 4.132 38.145 1.00 42.32 O HETATM 3733 O HOH A 444 60.279 10.560 29.290 1.00 47.29 O HETATM 3736 O HOH A 445 34.196 -4.670 42.177 1.00 44.31 O HETATM 3739 O HOH A 450 5.430 31.503 56.977 1.00 44.51 O HETATM 3742 O HOH A 452 68.200 1.799 50.376 1.00 46.35 O HETATM 3745 O CHOH A 459 57.600 4.799 54.507 0.50 47.67 O HETATM 3748 O HOH A 463 31.453 18.646 26.010 1.00 45.96 O HETATM 3751 O HOH A 466 24.906 22.961 33.880 1.00 44.61 O HETATM 3754 O HOH A 473 37.247 30.767 47.832 1.00 44.51 O HETATM 3757 O HOH A 476 26.216 22.588 58.185 1.00 44.69 O HETATM 3760 O HOH A 479 44.847 5.700 22.965 1.00 48.52 O HETATM 3763 O HOH A 480 36.055 -1.620 41.187 1.00 42.61 O HETATM 3766 O HOH A 481 24.486 8.831 46.367 1.00 43.42 O HETATM 3769 O HOH A 483 37.603 0.871 39.363 1.00 44.74 O HETATM 3772 O HOH A 500 48.549 22.661 65.995 1.00 47.93 O HETATM 3775 O HOH A 503 52.046 5.139 54.563 1.00 44.96 O HETATM 3778 O HOH A 505 35.204 25.004 25.506 1.00 44.11 O HETATM 3781 O HOH A 506 42.409 0.615 41.720 1.00 45.46 O HETATM 3784 O HOH A 511 53.771 26.570 54.553 1.00 46.03 O HETATM 3787 O HOH A 522 31.603 29.854 27.304 1.00 43.83 O HETATM 3790 O HOH A 523 20.875 15.203 28.247 1.00 45.43 O HETATM 3793 O HOH A 524 27.028 1.072 55.540 1.00 43.88 O HETATM 3796 O HOH A 528 33.693 7.740 24.119 1.00 41.49 O HETATM 3799 O HOH A 530 65.373 16.837 32.613 1.00 43.81 O HETATM 3802 O HOH A 534 46.700 -0.877 51.243 1.00 51.74 O HETATM 3805 O HOH A 536 33.416 10.624 20.242 1.00 43.70 O HETATM 3808 O HOH A 552 38.524 10.963 69.888 1.00 46.71 O HETATM 3811 O HOH A 555 36.726 30.535 29.910 1.00 50.49 O HETATM 3814 O HOH A 556 36.821 25.937 31.809 1.00 49.14 O HETATM 3817 O HOH A 557 38.465 25.330 29.026 1.00 46.44 O HETATM 3820 O HOH A 558 33.546 26.498 30.279 1.00 52.80 O HETATM 3823 O HOH A 559 35.395 26.514 27.856 1.00 49.74 O HETATM 3826 O HOH A 560 43.955 1.572 45.175 1.00 60.24 O HETATM 3829 O HOH A 561 37.704 5.467 24.668 1.00 44.22 O HETATM 3832 O HOH A 562 35.727 3.822 22.735 1.00 45.60 O HETATM 3835 O HOH A 563 30.372 30.001 57.414 1.00 60.31 O HETATM 3838 O HOH A 564 53.172 20.785 25.665 1.00 45.20 O HETATM 3841 O HOH A 565 40.419 27.342 42.601 1.00 53.60 O HETATM 3844 O HOH A 566 53.544 27.360 44.460 1.00 45.32 O HETATM 3847 O HOH A 567 46.460 29.580 47.567 1.00 49.01 O HETATM 3850 O HOH A 568 48.154 24.364 52.207 1.00 46.52 O HETATM 3853 O AHOH A 569 48.342 29.028 29.084 0.50 58.52 O HETATM 3856 O BHOH A 570 20.782 16.369 43.440 0.50 42.23 O HETATM 3859 O BHOH A 571 21.387 17.913 46.492 0.50 52.46 O HETATM 3862 O HOH A 572 32.734 34.362 49.651 1.00 51.90 O HETATM 3865 O HOH A 573 28.240 3.187 39.260 1.00 45.75 O HETATM 3868 O HOH A 574 55.176 4.463 54.479 1.00 47.67 O HETATM 3871 O HOH A 575 55.113 0.870 40.655 1.00 62.62 O HETATM 3874 O HOH A 576 45.852 24.940 54.870 1.00 42.65 O CONECT 92 2042 CONECT 200 3287 CONECT 362 591 CONECT 578 3288 CONECT 591 362 CONECT 779 3286 CONECT 802 3286 CONECT 849 3286 CONECT 922 3286 CONECT 1658 3062 CONECT 1737 2669 CONECT 1783 3287 CONECT 2042 92 CONECT 2200 2412 CONECT 2412 2200 CONECT 2553 2857 CONECT 2585 3287 CONECT 2599 3288 CONECT 2669 1737 CONECT 2857 2553 CONECT 3062 1658 CONECT 3286 779 802 849 922 CONECT 3286 3397 3508 CONECT 3287 200 1783 2585 3337 CONECT 3288 578 2599 3302 3314 CONECT 3289 3315 3316 CONECT 3290 3303 3316 3850 3874 CONECT 3291 3292 3296 3297 CONECT 3292 3291 3293 3317 CONECT 3293 3292 3294 3318 CONECT 3294 3293 3295 3302 CONECT 3295 3294 3296 3303 CONECT 3296 3291 3295 3319 CONECT 3297 3291 3300 3301 CONECT 3298 3299 3302 3303 CONECT 3299 3298 3311 3316 CONECT 3300 3297 3320 3321 CONECT 3301 3297 3322 3323 CONECT 3302 3288 3294 3298 CONECT 3303 3290 3295 3298 CONECT 3304 3305 3309 3310 CONECT 3305 3304 3306 3324 CONECT 3306 3305 3307 3325 CONECT 3307 3306 3308 3314 CONECT 3308 3307 3309 3315 CONECT 3309 3304 3308 3326 CONECT 3310 3304 3312 3313 CONECT 3311 3299 3314 3315 CONECT 3312 3310 3327 3328 CONECT 3313 3310 3329 3330 CONECT 3314 3288 3307 3311 CONECT 3315 3289 3308 3311 CONECT 3316 3289 3290 3299 CONECT 3317 3292 CONECT 3318 3293 CONECT 3319 3296 CONECT 3320 3300 CONECT 3321 3300 CONECT 3322 3301 CONECT 3323 3301 CONECT 3324 3305 CONECT 3325 3306 CONECT 3326 3309 CONECT 3327 3312 CONECT 3328 3312 CONECT 3329 3313 CONECT 3330 3313 CONECT 3337 3287 CONECT 3397 3286 CONECT 3508 3286 CONECT 3850 3290 CONECT 3874 3290 END