USER MOD reduce.3.24.130724 H: found=0, std=0, add=1669, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 2084 hydrogens (435 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2G 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 HYDRATE 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 3 24-FEB-09 1C2G 1 VERSN REVDAT 2 26-SEP-01 1C2G 3 ATOM REVDAT 1 26-JUL-00 1C2G 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 1 REMARK 2 REMARK 2 RESOLUTION. 1.65 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) : 1.65 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 72.0 REMARK 3 NUMBER OF REFLECTIONS : 16898 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) : 0.158 REMARK 3 FREE R VALUE : 0.200 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1686 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) : 1.65 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.72 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 34.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 900 REMARK 3 BIN R VALUE (WORKING SET) : 0.2650 REMARK 3 BIN FREE R VALUE : 0.2740 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 104 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 : 3309 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 57 REMARK 3 SOLVENT ATOMS : 621 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) : 3.90 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.56 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_KBZN70.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZN70.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 1C2G 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 RCSB001253. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JAN-97 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 7.00 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 : 18073 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.410 REMARK 200 RESOLUTION RANGE LOW (A) : 43.690 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 72.0 REMARK 200 DATA REDUNDANCY : 3.300 REMARK 200 R MERGE (I) : 0.07000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.72 REMARK 200 COMPLETENESS FOR SHELL (%) : 34.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.17500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.300 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 7.00 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 36.58667 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 73.17333 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 73.17333 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 36.58667 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 REMARK 400 HIS40 AND HIS91 ARE MONOPROTONATED ON THE EPSILON REMARK 400 NITROGEN, HIS57 IS MONOPROTONATED ON THE DELTA REMARK 400 NITROGEN. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 40 NE2 HIS A 40 CD2 -0.088 REMARK 500 HIS A 91 NE2 HIS A 91 CD2 -0.084 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 51 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 8.7 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES REMARK 500 SER A 190 N - CA - C ANGL. DEV. = -16.3 DEGREES REMARK 500 VAL A 199 N - CA - C ANGL. DEV. = -16.3 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.2 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CZ2 ANGL. DEV. = 7.2 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -7.1 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 7.0 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 -74.74 -140.38 REMARK 500 SER A 195 131.26 -35.31 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 0.09 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 = 5.93 ANGSTROMS REMARK 525 HOH A 342 DISTANCE = 5.77 ANGSTROMS REMARK 525 HOH A 350 DISTANCE = 5.73 ANGSTROMS REMARK 525 HOH A 369 DISTANCE = 6.58 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 12.67 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.45 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.13 ANGSTROMS REMARK 525 HOH A 394 DISTANCE = 6.89 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.41 ANGSTROMS REMARK 525 HOH A 402 DISTANCE = 7.76 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 12.87 ANGSTROMS REMARK 525 HOH A 405 DISTANCE = 5.31 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.22 ANGSTROMS REMARK 525 HOH A 407 DISTANCE = 11.09 ANGSTROMS REMARK 525 HOH A 434 DISTANCE = 7.37 ANGSTROMS REMARK 525 HOH A 435 DISTANCE = 6.49 ANGSTROMS REMARK 525 HOH A 439 DISTANCE = 7.07 ANGSTROMS REMARK 525 HOH A 440 DISTANCE = 9.77 ANGSTROMS REMARK 525 HOH A 451 DISTANCE = 8.21 ANGSTROMS REMARK 525 HOH A 490 DISTANCE = 14.21 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 11.11 ANGSTROMS REMARK 525 HOH A 508 DISTANCE = 6.02 ANGSTROMS REMARK 525 HOH A 527 DISTANCE = 12.64 ANGSTROMS REMARK 525 HOH A 528 DISTANCE = 6.89 ANGSTROMS REMARK 525 HOH A 529 DISTANCE = 10.50 ANGSTROMS REMARK 525 HOH A 553 DISTANCE = 9.40 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 247 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE1 REMARK 620 2 VAL A 75 O 162.4 REMARK 620 3 GLU A 80 OE2 98.9 89.6 REMARK 620 4 HOH A 309 O 86.8 110.2 77.3 REMARK 620 5 ASN A 72 O 88.3 87.5 164.3 89.3 REMARK 620 6 HOH A 271 O 81.4 83.1 91.2 162.0 103.8 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 GLN A 30 OE1 REMARK 620 2 SER A 139 O 89.5 REMARK 620 3 ASP A 194 O 150.5 109.7 REMARK 620 4 HOH A 250 O 90.9 118.7 98.7 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 BAH A 246 N3 REMARK 620 2 HIS A 57 NE2 114.8 REMARK 620 3 BAH A 246 N3' 99.1 117.5 REMARK 620 4 SER A 195 OG 108.5 110.2 105.8 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 BAH A 246 O91 REMARK 620 2 HOH A 415 O 155.7 REMARK 620 3 BAH A 246 N4' 79.6 79.1 REMARK 620 N 1 2 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 BAH A 246 O91 REMARK 620 2 HOH A 414 O 103.5 REMARK 620 3 HOH A 452 O 118.2 122.1 REMARK 620 4 BAH A 246 N4 80.0 121.1 104.9 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 263 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 409 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 411 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BAH A 246 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 333 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RELATED ID: 1C2E RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RELATED ID: 1C2M RELATED DB: PDB REMARK 900 RELATED ID: 1C1N RELATED DB: PDB REMARK 900 RELATED ID: 1C1O RELATED DB: PDB REMARK 900 RELATED ID: 1C1P RELATED DB: PDB REMARK 900 RELATED ID: 1C1Q RELATED DB: PDB REMARK 900 RELATED ID: 1C1R RELATED DB: PDB REMARK 900 RELATED ID: 1C1S RELATED DB: PDB REMARK 900 RELATED ID: 1C1T RELATED DB: PDB REMARK 900 RELATED ID: 1C1U RELATED DB: PDB REMARK 900 RELATED ID: 1C1V RELATED DB: PDB REMARK 900 RELATED ID: 1C1W RELATED DB: PDB REMARK 900 RELATED ID: 1C2J RELATED DB: PDB DBREF 1C2G 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 BAH A 246 42 HET DMS A 333 10 HETNAM CA CALCIUM ION HETNAM MG MAGNESIUM ION HETNAM ZN ZINC ION HETNAM BAH BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE HETNAM DMS DIMETHYL SULFOXIDE FORMUL 2 CA CA 2+ FORMUL 3 MG MG 2+ FORMUL 4 ZN 3(ZN 2+) FORMUL 7 BAH C17 H18 N8 O2 2+ FORMUL 8 DMS C2 H6 O S FORMUL 9 HOH *207(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 TRP A 51 SER A 54 -1 O TRP A 51 N ILE A 47 SHEET 4 B 7 MET A 104 LEU A 108 -1 O MET A 104 N SER A 54 SHEET 5 B 7 GLN A 81 VAL A 90 -1 N SER A 86 O LYS A 107 SHEET 6 B 7 GLN A 64 LEU A 67 -1 N VAL A 65 O ILE A 83 SHEET 7 B 7 GLN A 30 ASN A 34 -1 O SER A 32 N ARG A 66 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.03 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.02 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.01 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.02 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.01 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.02 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.24 LINK CA CA A 247 O VAL A 75 1555 1555 2.19 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.23 LINK CA CA A 247 O HOH A 309 1555 1555 2.33 LINK CA CA A 247 O ASN A 72 1555 1555 2.28 LINK CA CA A 247 O HOH A 271 1555 1555 2.42 LINK MG MG A 263 OE1 GLN A 30 1555 1555 3.06 LINK MG MG A 263 O SER A 139 1555 1555 2.71 LINK MG MG A 263 O ASP A 194 1555 1555 2.85 LINK MG MG A 263 O HOH A 250 1555 1555 2.91 LINK ZN ZN A 409 N3 BAH A 246 1555 1555 2.13 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.24 LINK ZN ZN A 409 N3' BAH A 246 1555 1555 2.05 LINK ZN ZN A 409 OG SER A 195 1555 1555 1.97 LINK ZN ZN A 410 O91 BAH A 246 1555 1555 2.32 LINK ZN ZN A 410 O HOH A 415 1555 1555 2.65 LINK ZN ZN A 410 N4' BAH A 246 1555 1555 2.25 LINK ZN ZN A 411 O91 BAH A 246 1555 1555 2.24 LINK ZN ZN A 411 O HOH A 414 1555 1555 2.33 LINK ZN ZN A 411 O HOH A 452 1555 1555 2.27 LINK ZN ZN A 411 N4 BAH A 246 1555 1555 2.12 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 7 GLN A 30 GLY A 43 SER A 139 GLY A 140 SITE *** AC2 7 ASP A 194 GLY A 197 HOH A 250 SITE *** AC3 3 HIS A 57 SER A 195 BAH A 246 SITE *** AC4 4 GLN A 192 BAH A 246 HOH A 399 HOH A 415 SITE *** AC5 4 GLN A 192 BAH A 246 HOH A 414 HOH A 452 SITE *** AC6 21 PHE A 41 HIS A 57 ASP A 189 SER A 190 SITE *** AC6 21 SER A 195 VAL A 213 SER A 214 TRP A 215 SITE *** AC6 21 GLY A 216 GLY A 219 CYS A 220 GLY A 226 SITE *** AC6 21 SER A 244 HOH A 325 HOH A 337 HOH A 343 SITE *** AC6 21 ZN A 409 ZN A 410 ZN A 411 HOH A 415 SITE *** AC6 21 HOH A 532 SITE *** AC7 5 ASN A 97 SER A 127 CYS A 128 GLN A 175 SITE *** AC7 5 HOH A 397 CRYST1 55.000 55.000 109.760 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 0.018182 0.010497 0.000000 0.00000 SCALE2 0.000000 0.020995 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009111 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 BAHHN4' : A 246 BAH N4' : A 410 ZNZN :(H bumps) USER MOD NoAdj-H: A 246 BAH HN4 : A 246 BAH N4 : A 411 ZNZN :(H bumps) USER MOD Set 1.1: A 175 GLN : amide:sc= -0.0418 X(o=-0.55,f=-0.21) USER MOD Set 1.2: A 333 DMS C2 :methyl -157:sc= -0.507 (180deg=-0.219) USER MOD Set 2.1: A 190 SER OG : rot -110:sc= 1.07 USER MOD Set 2.2: A 228 TYR OH : rot -166:sc= 1.97 USER MOD Set 3.1: A 164 SER OG : rot 118:sc= 0.177 USER MOD Set 3.2: A 166 SER OG : rot 180:sc= 0.0726 USER MOD Set 3.3: A 167 SER OG : rot -89:sc= 0.153 USER MOD Set 4.1: A 20 TYR OH : rot 30:sc= 0.327 USER MOD Set 4.2: A 159 LYS NZ :NH3+ -172:sc= 0.354 (180deg=0) USER MOD Set 5.1: A 144 THR OG1 : rot 180:sc= -0.192 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= -1.47 K(o=-2.1,f=2.8) USER MOD Set 6.2: A 139 SER OG : rot -98:sc= -0.619 USER MOD Set 7.1: A 101 ASN : amide:sc= 1.61 K(o=1.4,f=0.51) USER MOD Set 7.2: A 234 TYR OH : rot 17:sc= -0.205 USER MOD Set 8.1: A 100 ASN : amide:sc= 1.11 K(o=2.4,f=-2.4) USER MOD Set 8.2: A 177 THR OG1 : rot 179:sc= 1.04 USER MOD Set 8.3: A 179 ASN : amide:sc= 0.273 K(o=2.4,f=0.8) 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= 0.0274 K(o=2.4,f=1.3) USER MOD Set 9.1: A 87 LYS NZ A:NH3+ -145:sc= 0.778 (180deg=0) USER MOD Set 9.2: A 87 LYS NZ B:NH3+ 142:sc= 0.266 (180deg=0) USER MOD Set 9.3: A 245 ASN : amide:sc= 1.38 K(o=2.4,f=-6.3!) USER MOD Set10.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set10.2: A 61 SER OG C: rot 180:sc= 0 USER MOD Set11.1: A 37 SER OG : rot 90:sc= 0.904 USER MOD Set11.2: A 39 TYR OH : rot 30:sc= 0.401 USER MOD Set11.3: A 60 LYS NZ :NH3+ 145:sc= 1.59 (180deg=0.351) USER MOD Set12.1: A 32 SER OG : rot 62:sc= 2.4 USER MOD Set12.2: A 40 HIS : no HD1:sc= 1.3 K(o=3.7,f=-5!) USER MOD Set13.1: A 21 THR OG1 : rot 180:sc= 0.016 USER MOD Set13.2: A 156 LYS NZ :NH3+ 180:sc= 0.0171 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.703 K(o=0.7,f=-0.099) USER MOD Single : A 26 THR OG1 : rot -91:sc= 1.12 USER MOD Single : A 29 TYR OH : rot 180:sc= 1.15 USER MOD Single : A 34 ASN : amide:sc= 1 K(o=1,f=-3.7!) USER MOD Single : A 45 SER OG : rot 94:sc= -1.66! USER MOD Single : A 48 ASN : amide:sc= -5.61! K(o=-5.6!,f=-0.18) USER MOD Single : A 49 SER OG A: rot -90:sc= 0.0659 USER MOD Single : A 49 SER OG B: rot 93:sc= 0.744 USER MOD Single : A 50 GLN : amide:sc= 0.368 X(o=0.37,f=0.65) USER MOD Single : A 54 SER OG : rot 99:sc= 0.884 USER MOD Single : A 61 SER OG A: rot 180:sc= 0 USER MOD Single : A 61 SER OG B: rot 180:sc= 0.027 USER MOD Single : A 64 GLN : amide:sc= 0.569 K(o=0.57,f=-7.5!) USER MOD Single : A 72 ASN : amide:sc= 0.208 K(o=0.21,f=-8!) USER MOD Single : A 74 ASN : amide:sc= 0.454 K(o=0.45,f=-2!) USER MOD Single : A 79 ASN : amide:sc= -1.84 K(o=-1.8,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= 0.576 K(o=0.58,f=-3!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0074 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0.421 K(o=0.42,f=-5.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 18:sc= 1.58 USER MOD Single : A 95 ASN : amide:sc= -0.299 K(o=-0.3,f=-7.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.475 X(o=-0.48,f=-0.075) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 104 MET CE A:methyl -129:sc= 0 (180deg=-0.613) USER MOD Single : A 104 MET CE B:methyl -147:sc= -1.83 (180deg=-3.74!) USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 1.41 (180deg=1.3) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG A: rot 180:sc= 0 USER MOD Single : A 110 SER OG B: rot 180:sc= -0.0453 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.187 K(o=-0.19,f=-9.1!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0952 USER MOD Single : A 120 SER OG : rot -99:sc= 0.16 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 134 THR OG1 : rot 97:sc= 0.302 USER MOD Single : A 135 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 143 ASN : amide:sc= 0.557 K(o=0.56,f=-3.8!) USER MOD Single : A 146 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.153 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 38:sc= -0.454 USER MOD Single : A 170 SER OG B: rot 91:sc= 1.26 USER MOD Single : A 172 TYR OH : rot 17:sc= 0.539 USER MOD Single : A 178 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 184 TYR OH : rot 15:sc= 0.365 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 GLN : amide:sc= 0.523 K(o=0.52,f=1.2) USER MOD Single : A 214 SER OG : rot 58:sc= 1.79 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.0844 X(o=-0.084,f=-0.058) USER MOD Single : A 224 LYS NZ :NH3+ -176:sc= 0.286 (180deg=0.28) USER MOD Single : A 229 THR OG1 : rot -169:sc= 0.864 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc= 0.00623 USER MOD Single : A 236 SER OG B: rot 69:sc= 0.878 USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.3) USER MOD Single : A 241 THR OG1 : rot 91:sc= 0.809 USER MOD Single : A 244 SER OG : rot 94:sc= 0.552 USER MOD Single : A 246 BAH O92 : rot 17:sc= 1.22 USER MOD Single : A 333 DMS C1 :methyl -169:sc= 0 (180deg=-0.0453) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.781 15.669 48.364 1.00 17.63 N ATOM 2 CA ILE A 16 51.626 14.465 49.222 1.00 19.20 C ATOM 3 C ILE A 16 52.914 14.520 50.047 1.00 18.87 C ATOM 4 O ILE A 16 53.967 14.653 49.464 1.00 17.18 O ATOM 5 CB ILE A 16 51.587 13.150 48.369 1.00 21.32 C ATOM 6 CG1 ILE A 16 50.339 13.041 47.380 1.00 22.16 C ATOM 7 CG2 ILE A 16 51.621 11.894 49.316 1.00 23.48 C ATOM 8 CD1 ILE A 16 49.004 12.754 48.118 1.00 22.26 C ATOM 0 HA ILE A 16 50.806 14.459 49.740 1.00 19.20 H new ATOM 0 HB ILE A 16 52.375 13.180 47.805 1.00 21.32 H new ATOM 0 HG12 ILE A 16 50.255 13.868 46.880 1.00 22.16 H new ATOM 0 HG13 ILE A 16 50.504 12.336 46.735 1.00 22.16 H new ATOM 0 HG21 ILE A 16 51.597 11.085 48.782 1.00 23.48 H new ATOM 0 HG22 ILE A 16 52.435 11.908 49.844 1.00 23.48 H new ATOM 0 HG23 ILE A 16 50.852 11.914 49.908 1.00 23.48 H new ATOM 0 HD11 ILE A 16 48.283 12.698 47.472 1.00 22.26 H new ATOM 0 HD12 ILE A 16 49.074 11.914 48.598 1.00 22.26 H new ATOM 0 HD13 ILE A 16 48.821 13.470 48.746 1.00 22.26 H new ATOM 22 N VAL A 17 52.785 14.412 51.330 1.00 19.95 N ATOM 23 CA VAL A 17 53.949 14.463 52.241 1.00 22.02 C ATOM 24 C VAL A 17 54.087 13.041 52.784 1.00 22.41 C ATOM 25 O VAL A 17 53.090 12.435 53.141 1.00 21.70 O ATOM 26 CB VAL A 17 53.639 15.473 53.386 1.00 23.15 C ATOM 27 CG1 VAL A 17 54.824 15.585 54.346 1.00 23.66 C ATOM 28 CG2 VAL A 17 53.254 16.897 52.871 1.00 24.23 C ATOM 0 H VAL A 17 52.030 14.306 51.727 1.00 19.95 H new ATOM 0 HA VAL A 17 54.767 14.752 51.808 1.00 22.02 H new ATOM 0 HB VAL A 17 52.866 15.116 53.850 1.00 23.15 H new ATOM 0 HG11 VAL A 17 54.612 16.217 55.050 1.00 23.66 H new ATOM 0 HG12 VAL A 17 55.008 14.716 54.737 1.00 23.66 H new ATOM 0 HG13 VAL A 17 55.606 15.893 53.861 1.00 23.66 H new ATOM 0 HG21 VAL A 17 53.074 17.477 53.627 1.00 24.23 H new ATOM 0 HG22 VAL A 17 53.987 17.263 52.351 1.00 24.23 H new ATOM 0 HG23 VAL A 17 52.462 16.837 52.314 1.00 24.23 H new ATOM 38 N GLY A 18 55.308 12.586 52.801 1.00 25.36 N ATOM 39 CA GLY A 18 55.674 11.220 53.300 1.00 25.93 C ATOM 40 C GLY A 18 55.160 10.113 52.369 1.00 27.26 C ATOM 41 O GLY A 18 54.997 8.994 52.841 1.00 32.51 O ATOM 0 H GLY A 18 55.982 13.043 52.526 1.00 25.36 H new ATOM 0 HA2 GLY A 18 56.638 11.153 53.380 1.00 25.93 H new ATOM 0 HA3 GLY A 18 55.306 11.091 54.188 1.00 25.93 H new ATOM 45 N GLY A 19 54.939 10.397 51.105 1.00 25.81 N ATOM 46 CA GLY A 19 54.425 9.364 50.157 1.00 20.42 C ATOM 47 C GLY A 19 55.589 8.874 49.346 1.00 22.48 C ATOM 48 O GLY A 19 56.720 9.134 49.724 1.00 22.81 O ATOM 0 H GLY A 19 55.072 11.171 50.754 1.00 25.81 H new ATOM 0 HA2 GLY A 19 54.014 8.631 50.642 1.00 20.42 H new ATOM 0 HA3 GLY A 19 53.742 9.740 49.580 1.00 20.42 H new ATOM 52 N TYR A 20 55.295 8.176 48.282 1.00 20.81 N ATOM 53 CA TYR A 20 56.352 7.633 47.382 1.00 19.92 C ATOM 54 C TYR A 20 56.007 7.886 45.939 1.00 21.10 C ATOM 55 O TYR A 20 54.892 8.267 45.649 1.00 19.48 O ATOM 56 CB TYR A 20 56.476 6.150 47.562 1.00 18.59 C ATOM 57 CG TYR A 20 55.151 5.432 47.357 1.00 17.80 C ATOM 58 CD1 TYR A 20 54.813 4.919 46.145 1.00 16.41 C ATOM 59 CD2 TYR A 20 54.269 5.293 48.414 1.00 22.20 C ATOM 60 CE1 TYR A 20 53.607 4.281 46.009 1.00 21.37 C ATOM 61 CE2 TYR A 20 53.067 4.659 48.283 1.00 19.88 C ATOM 62 CZ TYR A 20 52.722 4.149 47.090 1.00 22.07 C ATOM 63 OH TYR A 20 51.497 3.523 47.018 1.00 27.48 O ATOM 0 H TYR A 20 54.492 7.989 48.038 1.00 20.81 H new ATOM 0 HA TYR A 20 57.184 8.077 47.610 1.00 19.92 H new ATOM 0 HB2 TYR A 20 57.130 5.804 46.935 1.00 18.59 H new ATOM 0 HB3 TYR A 20 56.810 5.961 48.453 1.00 18.59 H new ATOM 0 HD1 TYR A 20 55.390 4.999 45.420 1.00 16.41 H new ATOM 0 HD2 TYR A 20 54.503 5.644 49.243 1.00 22.20 H new ATOM 0 HE1 TYR A 20 53.370 3.928 45.182 1.00 21.37 H new ATOM 0 HE2 TYR A 20 52.494 4.581 49.011 1.00 19.88 H new ATOM 0 HH TYR A 20 51.525 2.918 46.436 1.00 27.48 H new ATOM 73 N THR A 21 56.940 7.661 45.067 1.00 22.39 N ATOM 74 CA THR A 21 56.713 7.866 43.619 1.00 22.90 C ATOM 75 C THR A 21 55.851 6.696 43.187 1.00 23.34 C ATOM 76 O THR A 21 56.230 5.549 43.340 1.00 26.37 O ATOM 77 CB THR A 21 58.079 7.860 42.924 1.00 23.24 C ATOM 78 OG1 THR A 21 58.800 8.912 43.560 1.00 24.96 O ATOM 79 CG2 THR A 21 57.972 8.248 41.446 1.00 24.16 C ATOM 0 H THR A 21 57.730 7.386 45.268 1.00 22.39 H new ATOM 0 HA THR A 21 56.277 8.704 43.399 1.00 22.90 H new ATOM 0 HB THR A 21 58.482 6.979 42.982 1.00 23.24 H new ATOM 0 HG1 THR A 21 59.569 8.967 43.226 1.00 24.96 H new ATOM 0 HG21 THR A 21 58.854 8.233 41.043 1.00 24.16 H new ATOM 0 HG22 THR A 21 57.396 7.617 40.987 1.00 24.16 H new ATOM 0 HG23 THR A 21 57.598 9.140 41.372 1.00 24.16 H new ATOM 87 N CYS A 22 54.713 7.026 42.646 1.00 23.60 N ATOM 88 CA CYS A 22 53.741 5.993 42.175 1.00 23.72 C ATOM 89 C CYS A 22 54.268 5.063 41.091 1.00 25.06 C ATOM 90 O CYS A 22 54.114 3.855 41.154 1.00 24.69 O ATOM 91 CB CYS A 22 52.485 6.672 41.613 1.00 21.23 C ATOM 92 SG CYS A 22 51.643 7.841 42.694 1.00 19.37 S ATOM 0 H CYS A 22 54.454 7.838 42.528 1.00 23.60 H new ATOM 0 HA CYS A 22 53.558 5.455 42.961 1.00 23.72 H new ATOM 0 HB2 CYS A 22 52.731 7.137 40.798 1.00 21.23 H new ATOM 0 HB3 CYS A 22 51.852 5.980 41.365 1.00 21.23 H new ATOM 97 N GLY A 23 54.843 5.705 40.134 1.00 23.81 N ATOM 98 CA GLY A 23 55.418 5.029 38.972 1.00 25.46 C ATOM 99 C GLY A 23 54.547 5.586 37.865 1.00 25.55 C ATOM 100 O GLY A 23 53.363 5.816 38.034 1.00 25.81 O ATOM 0 H GLY A 23 54.924 6.561 40.117 1.00 23.81 H new ATOM 0 HA2 GLY A 23 56.355 5.245 38.847 1.00 25.46 H new ATOM 0 HA3 GLY A 23 55.356 4.063 39.039 1.00 25.46 H new ATOM 104 N ALA A 24 55.167 5.796 36.747 1.00 23.96 N ATOM 105 CA ALA A 24 54.454 6.344 35.554 1.00 25.98 C ATOM 106 C ALA A 24 53.209 5.554 35.134 1.00 26.39 C ATOM 107 O ALA A 24 53.251 4.379 34.831 1.00 26.71 O ATOM 108 CB ALA A 24 55.401 6.396 34.323 1.00 28.00 C ATOM 0 H ALA A 24 56.003 5.639 36.622 1.00 23.96 H new ATOM 0 HA ALA A 24 54.168 7.228 35.833 1.00 25.98 H new ATOM 0 HB1 ALA A 24 54.921 6.754 33.560 1.00 28.00 H new ATOM 0 HB2 ALA A 24 56.160 6.965 34.523 1.00 28.00 H new ATOM 0 HB3 ALA A 24 55.714 5.501 34.117 1.00 28.00 H new ATOM 114 N ASN A 25 52.116 6.317 35.148 1.00 27.46 N ATOM 115 CA ASN A 25 50.780 5.790 34.762 1.00 26.98 C ATOM 116 C ASN A 25 50.306 4.580 35.608 1.00 28.54 C ATOM 117 O ASN A 25 49.694 3.665 35.082 1.00 26.78 O ATOM 118 CB ASN A 25 50.849 5.421 33.287 1.00 28.11 C ATOM 119 CG ASN A 25 51.450 6.598 32.494 1.00 28.02 C ATOM 120 OD1 ASN A 25 52.531 6.539 31.942 1.00 26.33 O ATOM 121 ND2 ASN A 25 50.776 7.700 32.405 1.00 26.59 N ATOM 0 H ASN A 25 52.115 7.146 35.377 1.00 27.46 H new ATOM 0 HA ASN A 25 50.121 6.481 34.931 1.00 26.98 H new ATOM 0 HB2 ASN A 25 51.392 4.626 33.167 1.00 28.11 H new ATOM 0 HB3 ASN A 25 49.962 5.212 32.953 1.00 28.11 H new ATOM 0 HD21 ASN A 25 51.096 8.365 31.964 1.00 26.59 H new ATOM 0 HD22 ASN A 25 50.008 7.767 32.787 1.00 26.59 H new ATOM 128 N THR A 26 50.602 4.549 36.861 1.00 25.58 N ATOM 129 CA THR A 26 50.126 3.413 37.706 1.00 23.92 C ATOM 130 C THR A 26 48.775 3.810 38.353 1.00 23.64 C ATOM 131 O THR A 26 48.119 3.028 39.021 1.00 24.27 O ATOM 132 CB THR A 26 51.205 3.109 38.820 1.00 23.20 C ATOM 133 OG1 THR A 26 51.516 4.380 39.387 1.00 24.68 O ATOM 134 CG2 THR A 26 52.525 2.550 38.185 1.00 22.67 C ATOM 0 H THR A 26 51.066 5.145 37.273 1.00 25.58 H new ATOM 0 HA THR A 26 50.001 2.616 37.168 1.00 23.92 H new ATOM 0 HB THR A 26 50.868 2.459 39.457 1.00 23.20 H new ATOM 0 HG1 THR A 26 52.161 4.722 38.971 1.00 24.68 H new ATOM 0 HG21 THR A 26 53.171 2.371 38.886 1.00 22.67 H new ATOM 0 HG22 THR A 26 52.332 1.728 37.707 1.00 22.67 H new ATOM 0 HG23 THR A 26 52.890 3.204 37.569 1.00 22.67 H new ATOM 142 N VAL A 27 48.385 5.035 38.149 1.00 22.33 N ATOM 143 CA VAL A 27 47.112 5.581 38.698 1.00 20.38 C ATOM 144 C VAL A 27 46.442 6.167 37.447 1.00 21.29 C ATOM 145 O VAL A 27 46.404 7.369 37.280 1.00 21.82 O ATOM 146 CB VAL A 27 47.429 6.675 39.730 1.00 19.55 C ATOM 147 CG1 VAL A 27 46.136 7.089 40.427 1.00 19.62 C ATOM 148 CG2 VAL A 27 48.411 6.135 40.762 1.00 20.28 C ATOM 0 H VAL A 27 48.836 5.603 37.687 1.00 22.33 H new ATOM 0 HA VAL A 27 46.555 4.932 39.155 1.00 20.38 H new ATOM 0 HB VAL A 27 47.823 7.441 39.284 1.00 19.55 H new ATOM 0 HG11 VAL A 27 46.327 7.780 41.081 1.00 19.62 H new ATOM 0 HG12 VAL A 27 45.509 7.431 39.770 1.00 19.62 H new ATOM 0 HG13 VAL A 27 45.749 6.320 40.874 1.00 19.62 H new ATOM 0 HG21 VAL A 27 48.610 6.827 41.412 1.00 20.28 H new ATOM 0 HG22 VAL A 27 48.019 5.371 41.213 1.00 20.28 H new ATOM 0 HG23 VAL A 27 49.230 5.863 40.319 1.00 20.28 H new ATOM 158 N PRO A 28 45.940 5.336 36.574 1.00 19.89 N ATOM 159 CA PRO A 28 45.483 5.806 35.233 1.00 20.49 C ATOM 160 C PRO A 28 44.238 6.726 35.233 1.00 17.72 C ATOM 161 O PRO A 28 43.986 7.342 34.217 1.00 20.48 O ATOM 162 CB PRO A 28 45.279 4.496 34.472 1.00 22.01 C ATOM 163 CG PRO A 28 44.827 3.507 35.622 1.00 21.18 C ATOM 164 CD PRO A 28 45.764 3.862 36.777 1.00 19.93 C ATOM 0 HA PRO A 28 46.131 6.399 34.822 1.00 20.49 H new ATOM 0 HB2 PRO A 28 44.604 4.580 33.781 1.00 22.01 H new ATOM 0 HB3 PRO A 28 46.094 4.199 34.038 1.00 22.01 H new ATOM 0 HG2 PRO A 28 43.896 3.638 35.862 1.00 21.18 H new ATOM 0 HG3 PRO A 28 44.923 2.579 35.355 1.00 21.18 H new ATOM 0 HD2 PRO A 28 45.373 3.656 37.641 1.00 19.93 H new ATOM 0 HD3 PRO A 28 46.606 3.383 36.725 1.00 19.93 H new ATOM 172 N TYR A 29 43.521 6.791 36.327 1.00 15.20 N ATOM 173 CA TYR A 29 42.291 7.658 36.440 1.00 15.36 C ATOM 174 C TYR A 29 42.632 9.058 37.001 1.00 18.58 C ATOM 175 O TYR A 29 41.729 9.871 37.139 1.00 17.49 O ATOM 176 CB TYR A 29 41.236 7.004 37.399 1.00 14.09 C ATOM 177 CG TYR A 29 41.898 6.571 38.719 1.00 15.91 C ATOM 178 CD1 TYR A 29 42.169 7.486 39.722 1.00 17.21 C ATOM 179 CD2 TYR A 29 42.275 5.245 38.915 1.00 16.70 C ATOM 180 CE1 TYR A 29 42.805 7.078 40.881 1.00 19.14 C ATOM 181 CE2 TYR A 29 42.910 4.845 40.079 1.00 17.70 C ATOM 182 CZ TYR A 29 43.183 5.760 41.077 1.00 18.50 C ATOM 183 OH TYR A 29 43.822 5.416 42.254 1.00 18.07 O ATOM 0 H TYR A 29 43.704 6.349 37.041 1.00 15.20 H new ATOM 0 HA TYR A 29 41.929 7.744 35.544 1.00 15.36 H new ATOM 0 HB2 TYR A 29 40.522 7.635 37.581 1.00 14.09 H new ATOM 0 HB3 TYR A 29 40.832 6.235 36.967 1.00 14.09 H new ATOM 0 HD1 TYR A 29 41.923 8.377 39.617 1.00 17.21 H new ATOM 0 HD2 TYR A 29 42.097 4.617 38.253 1.00 16.70 H new ATOM 0 HE1 TYR A 29 42.983 7.704 41.545 1.00 19.14 H new ATOM 0 HE2 TYR A 29 43.154 3.954 40.189 1.00 17.70 H new ATOM 0 HH TYR A 29 43.996 4.594 42.249 1.00 18.07 H new ATOM 193 N GLN A 30 43.903 9.285 37.286 1.00 18.03 N ATOM 194 CA GLN A 30 44.370 10.596 37.847 1.00 17.48 C ATOM 195 C GLN A 30 44.547 11.609 36.722 1.00 15.87 C ATOM 196 O GLN A 30 45.141 11.346 35.691 1.00 16.06 O ATOM 197 CB GLN A 30 45.746 10.414 38.603 1.00 19.20 C ATOM 198 CG GLN A 30 46.411 11.769 39.059 1.00 21.29 C ATOM 199 CD GLN A 30 45.879 12.282 40.392 1.00 16.92 C ATOM 200 OE1 GLN A 30 45.458 13.409 40.565 1.00 16.98 O ATOM 201 NE2 GLN A 30 45.899 11.451 41.363 1.00 15.43 N ATOM 0 H GLN A 30 44.529 8.707 37.170 1.00 18.03 H new ATOM 0 HA GLN A 30 43.702 10.917 38.473 1.00 17.48 H new ATOM 0 HB2 GLN A 30 45.604 9.855 39.383 1.00 19.20 H new ATOM 0 HB3 GLN A 30 46.363 9.941 38.023 1.00 19.20 H new ATOM 0 HG2 GLN A 30 47.371 11.644 39.127 1.00 21.29 H new ATOM 0 HG3 GLN A 30 46.260 12.442 38.377 1.00 21.29 H new ATOM 0 HE21 GLN A 30 46.197 10.654 41.240 1.00 15.43 H new ATOM 0 HE22 GLN A 30 45.615 11.689 42.139 1.00 15.43 H new ATOM 210 N VAL A 31 43.958 12.775 37.055 1.00 15.22 N ATOM 211 CA VAL A 31 44.021 13.929 36.131 1.00 16.84 C ATOM 212 C VAL A 31 44.690 15.171 36.876 1.00 18.21 C ATOM 213 O VAL A 31 44.688 15.327 38.085 1.00 14.77 O ATOM 214 CB AVAL A 31 42.541 14.156 35.819 0.36 16.20 C ATOM 215 CB BVAL A 31 42.592 14.392 35.541 0.70 15.57 C ATOM 216 CG1AVAL A 31 42.286 15.227 34.847 0.36 15.74 C ATOM 217 CG1BVAL A 31 41.640 13.193 35.197 0.70 19.17 C ATOM 218 CG2AVAL A 31 41.727 12.843 35.469 0.36 17.75 C ATOM 219 CG2BVAL A 31 41.858 15.406 36.362 0.70 14.60 C ATOM 0 H VAL A 31 43.530 12.916 37.787 1.00 15.22 H new ATOM 0 HA VAL A 31 44.554 13.796 35.331 1.00 16.84 H new ATOM 0 HB AVAL A 31 42.190 14.466 36.668 0.36 15.57 H new ATOM 0 HB BVAL A 31 42.843 14.836 34.716 0.70 15.57 H new ATOM 0 HG11AVAL A 31 41.331 15.311 34.701 0.36 19.17 H new ATOM 0 HG11BVAL A 31 40.802 13.535 34.849 0.70 19.17 H new ATOM 0 HG12AVAL A 31 42.635 16.065 35.189 0.36 19.17 H new ATOM 0 HG12BVAL A 31 42.060 12.627 34.530 0.70 19.17 H new ATOM 0 HG13AVAL A 31 42.723 15.014 34.008 0.36 19.17 H new ATOM 0 HG13BVAL A 31 41.469 12.675 35.999 0.70 19.17 H new ATOM 0 HG21AVAL A 31 40.803 13.074 35.285 0.36 14.60 H new ATOM 0 HG21BVAL A 31 41.016 15.622 35.932 0.70 14.60 H new ATOM 0 HG22AVAL A 31 42.116 12.420 34.687 0.36 14.60 H new ATOM 0 HG22BVAL A 31 41.686 15.044 37.246 0.70 14.60 H new ATOM 0 HG23AVAL A 31 41.763 12.230 36.220 0.36 14.60 H new ATOM 0 HG23BVAL A 31 42.396 16.209 36.441 0.70 14.60 H new ATOM 236 N SER A 32 45.239 16.015 36.031 1.00 17.74 N ATOM 237 CA SER A 32 45.957 17.245 36.435 1.00 17.48 C ATOM 238 C SER A 32 45.107 18.317 35.725 1.00 16.33 C ATOM 239 O SER A 32 44.876 18.199 34.529 1.00 12.87 O ATOM 240 CB SER A 32 47.422 17.290 35.870 1.00 16.22 C ATOM 241 OG SER A 32 47.916 18.624 36.030 1.00 14.16 O ATOM 0 H SER A 32 45.214 15.901 35.179 1.00 17.74 H new ATOM 0 HA SER A 32 46.048 17.339 37.396 1.00 17.48 H new ATOM 0 HB2 SER A 32 47.988 16.660 36.343 1.00 16.22 H new ATOM 0 HB3 SER A 32 47.433 17.034 34.934 1.00 16.22 H new ATOM 0 HG SER A 32 47.938 18.819 36.847 1.00 14.16 H new ATOM 247 N LEU A 33 44.687 19.291 36.489 1.00 14.41 N ATOM 248 CA LEU A 33 43.877 20.426 35.988 1.00 15.93 C ATOM 249 C LEU A 33 44.980 21.528 35.832 1.00 15.59 C ATOM 250 O LEU A 33 45.756 21.876 36.710 1.00 14.13 O ATOM 251 CB LEU A 33 42.826 20.880 37.007 1.00 16.71 C ATOM 252 CG LEU A 33 41.842 19.755 37.443 1.00 17.45 C ATOM 253 CD1 LEU A 33 40.759 20.454 38.278 1.00 19.30 C ATOM 254 CD2 LEU A 33 41.195 18.996 36.259 1.00 18.69 C ATOM 0 H LEU A 33 44.855 19.333 37.331 1.00 14.41 H new ATOM 0 HA LEU A 33 43.375 20.218 35.185 1.00 15.93 H new ATOM 0 HB2 LEU A 33 43.278 21.224 37.793 1.00 16.71 H new ATOM 0 HB3 LEU A 33 42.317 21.614 36.628 1.00 16.71 H new ATOM 0 HG LEU A 33 42.327 19.076 37.938 1.00 17.45 H new ATOM 0 HD11 LEU A 33 40.111 19.799 38.581 1.00 19.30 H new ATOM 0 HD12 LEU A 33 41.168 20.882 39.046 1.00 19.30 H new ATOM 0 HD13 LEU A 33 40.313 21.123 37.735 1.00 19.30 H new ATOM 0 HD21 LEU A 33 40.597 18.313 36.600 1.00 18.69 H new ATOM 0 HD22 LEU A 33 40.694 19.619 35.710 1.00 18.69 H new ATOM 0 HD23 LEU A 33 41.888 18.580 35.724 1.00 18.69 H new ATOM 266 N ASN A 34 44.985 22.033 34.647 1.00 18.52 N ATOM 267 CA ASN A 34 45.962 23.075 34.251 1.00 16.84 C ATOM 268 C ASN A 34 45.369 24.391 33.727 1.00 17.09 C ATOM 269 O ASN A 34 44.511 24.328 32.865 1.00 18.07 O ATOM 270 CB ASN A 34 46.862 22.388 33.166 1.00 15.65 C ATOM 271 CG ASN A 34 48.009 23.268 32.662 1.00 15.78 C ATOM 272 OD1 ASN A 34 47.809 24.287 32.033 1.00 15.42 O ATOM 273 ND2 ASN A 34 49.231 22.919 32.916 1.00 16.29 N ATOM 0 H ASN A 34 44.437 21.805 34.025 1.00 18.52 H new ATOM 0 HA ASN A 34 46.447 23.367 35.039 1.00 16.84 H new ATOM 0 HB2 ASN A 34 47.232 21.571 33.536 1.00 15.65 H new ATOM 0 HB3 ASN A 34 46.307 22.133 32.413 1.00 15.65 H new ATOM 0 HD21 ASN A 34 49.884 23.406 32.640 1.00 16.29 H new ATOM 0 HD22 ASN A 34 49.389 22.200 33.360 1.00 16.29 H new ATOM 280 N SER A 37 45.778 25.515 34.238 1.00 16.38 N ATOM 281 CA SER A 37 45.234 26.791 33.695 1.00 18.95 C ATOM 282 C SER A 37 46.535 27.557 33.413 1.00 18.33 C ATOM 283 O SER A 37 46.721 28.703 33.759 1.00 20.61 O ATOM 284 CB SER A 37 44.335 27.507 34.741 1.00 20.13 C ATOM 285 OG SER A 37 45.088 27.539 35.939 1.00 23.80 O ATOM 0 H SER A 37 46.348 25.594 34.877 1.00 16.38 H new ATOM 0 HA SER A 37 44.659 26.698 32.920 1.00 18.95 H new ATOM 0 HB2 SER A 37 44.108 28.404 34.449 1.00 20.13 H new ATOM 0 HB3 SER A 37 43.500 27.030 34.867 1.00 20.13 H new ATOM 0 HG SER A 37 45.547 28.242 35.963 1.00 23.80 H new ATOM 291 N GLY A 38 47.440 26.868 32.767 1.00 20.02 N ATOM 292 CA GLY A 38 48.763 27.441 32.410 1.00 18.64 C ATOM 293 C GLY A 38 49.887 26.857 33.291 1.00 20.20 C ATOM 294 O GLY A 38 51.055 27.158 33.067 1.00 17.84 O ATOM 0 H GLY A 38 47.328 26.054 32.513 1.00 20.02 H new ATOM 0 HA2 GLY A 38 48.954 27.260 31.477 1.00 18.64 H new ATOM 0 HA3 GLY A 38 48.738 28.405 32.512 1.00 18.64 H new ATOM 298 N TYR A 39 49.462 26.066 34.252 1.00 17.54 N ATOM 299 CA TYR A 39 50.309 25.361 35.252 1.00 15.12 C ATOM 300 C TYR A 39 49.303 24.454 35.973 1.00 15.98 C ATOM 301 O TYR A 39 48.102 24.672 35.939 1.00 12.50 O ATOM 302 CB TYR A 39 50.982 26.371 36.288 1.00 18.26 C ATOM 303 CG TYR A 39 49.928 27.336 36.798 1.00 17.93 C ATOM 304 CD1 TYR A 39 49.693 28.505 36.110 1.00 19.28 C ATOM 305 CD2 TYR A 39 49.152 27.015 37.879 1.00 20.76 C ATOM 306 CE1 TYR A 39 48.695 29.341 36.468 1.00 19.82 C ATOM 307 CE2 TYR A 39 48.138 27.858 38.250 1.00 21.67 C ATOM 308 CZ TYR A 39 47.907 29.014 37.545 1.00 23.31 C ATOM 309 OH TYR A 39 46.858 29.822 37.926 1.00 26.66 O ATOM 0 H TYR A 39 48.625 25.903 34.363 1.00 17.54 H new ATOM 0 HA TYR A 39 51.048 24.886 34.840 1.00 15.12 H new ATOM 0 HB2 TYR A 39 51.372 25.880 37.028 1.00 18.26 H new ATOM 0 HB3 TYR A 39 51.703 26.859 35.860 1.00 18.26 H new ATOM 0 HD1 TYR A 39 50.232 28.723 35.384 1.00 19.28 H new ATOM 0 HD2 TYR A 39 49.311 26.233 38.356 1.00 20.76 H new ATOM 0 HE1 TYR A 39 48.543 30.126 35.993 1.00 19.82 H new ATOM 0 HE2 TYR A 39 47.604 27.647 38.982 1.00 21.67 H new ATOM 0 HH TYR A 39 46.548 30.216 37.252 1.00 26.66 H new ATOM 319 N HIS A 40 49.832 23.459 36.623 1.00 17.76 N ATOM 320 CA HIS A 40 48.995 22.478 37.376 1.00 16.47 C ATOM 321 C HIS A 40 48.523 23.168 38.649 1.00 17.19 C ATOM 322 O HIS A 40 49.322 23.795 39.338 1.00 16.06 O ATOM 323 CB HIS A 40 49.858 21.218 37.739 1.00 17.43 C ATOM 324 CG HIS A 40 49.179 20.367 38.875 1.00 15.54 C ATOM 325 ND1 HIS A 40 48.290 19.430 38.626 1.00 17.26 N ATOM 326 CD2 HIS A 40 49.368 20.471 40.241 1.00 15.04 C ATOM 327 CE1 HIS A 40 47.945 18.983 39.801 1.00 16.19 C ATOM 328 NE2 HIS A 40 48.573 19.594 40.742 1.00 16.49 N ATOM 0 H HIS A 40 50.677 23.306 36.660 1.00 17.76 H new ATOM 0 HA HIS A 40 48.238 22.187 36.844 1.00 16.47 H new ATOM 0 HB2 HIS A 40 49.979 20.668 36.949 1.00 17.43 H new ATOM 0 HB3 HIS A 40 50.740 21.500 38.027 1.00 17.43 H new ATOM 0 HD2 HIS A 40 49.941 21.046 40.695 1.00 15.04 H new ATOM 0 HE1 HIS A 40 47.322 18.307 39.941 1.00 16.19 H new ATOM 0 HE2 HIS A 40 48.476 19.439 41.582 1.00 16.49 H new ATOM 336 N PHE A 41 47.255 23.069 38.945 1.00 14.58 N ATOM 337 CA PHE A 41 46.778 23.727 40.198 1.00 16.50 C ATOM 338 C PHE A 41 45.951 22.754 41.008 1.00 15.31 C ATOM 339 O PHE A 41 45.809 22.992 42.182 1.00 17.29 O ATOM 340 CB PHE A 41 45.958 25.030 39.874 1.00 17.36 C ATOM 341 CG PHE A 41 44.673 24.748 39.145 1.00 19.68 C ATOM 342 CD1 PHE A 41 43.522 24.542 39.890 1.00 20.88 C ATOM 343 CD2 PHE A 41 44.642 24.689 37.758 1.00 22.23 C ATOM 344 CE1 PHE A 41 42.345 24.277 39.250 1.00 23.43 C ATOM 345 CE2 PHE A 41 43.450 24.418 37.113 1.00 25.06 C ATOM 346 CZ PHE A 41 42.301 24.214 37.866 1.00 24.26 C ATOM 0 H PHE A 41 46.659 22.656 38.482 1.00 14.58 H new ATOM 0 HA PHE A 41 47.550 23.991 40.723 1.00 16.50 H new ATOM 0 HB2 PHE A 41 45.759 25.496 40.701 1.00 17.36 H new ATOM 0 HB3 PHE A 41 46.505 25.625 39.338 1.00 17.36 H new ATOM 0 HD1 PHE A 41 43.551 24.584 40.819 1.00 20.88 H new ATOM 0 HD2 PHE A 41 45.418 24.831 37.266 1.00 22.23 H new ATOM 0 HE1 PHE A 41 41.570 24.138 39.745 1.00 23.43 H new ATOM 0 HE2 PHE A 41 43.418 24.373 36.185 1.00 25.06 H new ATOM 0 HZ PHE A 41 41.495 24.034 37.438 1.00 24.26 H new ATOM 356 N CYS A 42 45.430 21.719 40.431 1.00 16.11 N ATOM 357 CA CYS A 42 44.618 20.737 41.196 1.00 14.07 C ATOM 358 C CYS A 42 44.607 19.404 40.462 1.00 14.31 C ATOM 359 O CYS A 42 44.966 19.338 39.294 1.00 12.68 O ATOM 360 CB CYS A 42 43.157 21.276 41.353 1.00 13.49 C ATOM 361 SG CYS A 42 42.804 22.410 42.719 1.00 17.58 S ATOM 0 H CYS A 42 45.517 21.538 39.595 1.00 16.11 H new ATOM 0 HA CYS A 42 45.005 20.610 42.076 1.00 14.07 H new ATOM 0 HB2 CYS A 42 42.916 21.724 40.527 1.00 13.49 H new ATOM 0 HB3 CYS A 42 42.567 20.511 41.443 1.00 13.49 H new ATOM 366 N GLY A 43 44.180 18.401 41.165 1.00 13.51 N ATOM 367 CA GLY A 43 44.089 17.037 40.623 1.00 13.40 C ATOM 368 C GLY A 43 42.585 16.795 40.368 1.00 12.01 C ATOM 369 O GLY A 43 41.732 17.639 40.630 1.00 11.60 O ATOM 0 H GLY A 43 43.926 18.469 41.984 1.00 13.51 H new ATOM 0 HA2 GLY A 43 44.601 16.952 39.803 1.00 13.40 H new ATOM 0 HA3 GLY A 43 44.446 16.388 41.249 1.00 13.40 H new ATOM 373 N GLY A 44 42.295 15.636 39.846 1.00 14.06 N ATOM 374 CA GLY A 44 40.888 15.249 39.553 1.00 14.60 C ATOM 375 C GLY A 44 40.886 13.755 39.231 1.00 14.30 C ATOM 376 O GLY A 44 41.948 13.149 39.176 1.00 15.21 O ATOM 0 H GLY A 44 42.880 15.039 39.643 1.00 14.06 H new ATOM 0 HA2 GLY A 44 40.316 15.436 40.314 1.00 14.60 H new ATOM 0 HA3 GLY A 44 40.541 15.761 38.805 1.00 14.60 H new ATOM 380 N SER A 45 39.720 13.220 39.033 1.00 15.19 N ATOM 381 CA SER A 45 39.556 11.770 38.706 1.00 16.49 C ATOM 382 C SER A 45 38.664 11.599 37.482 1.00 14.52 C ATOM 383 O SER A 45 37.632 12.231 37.379 1.00 14.80 O ATOM 384 CB SER A 45 38.865 10.980 39.850 1.00 16.97 C ATOM 385 OG SER A 45 39.754 10.971 40.949 1.00 20.50 O ATOM 0 H SER A 45 38.981 13.657 39.076 1.00 15.19 H new ATOM 0 HA SER A 45 40.452 11.431 38.558 1.00 16.49 H new ATOM 0 HB2 SER A 45 38.024 11.397 40.094 1.00 16.97 H new ATOM 0 HB3 SER A 45 38.662 10.075 39.567 1.00 16.97 H new ATOM 0 HG SER A 45 39.570 11.609 41.464 1.00 20.50 H new ATOM 391 N LEU A 46 39.066 10.735 36.605 1.00 13.68 N ATOM 392 CA LEU A 46 38.259 10.488 35.384 1.00 15.31 C ATOM 393 C LEU A 46 37.156 9.450 35.765 1.00 15.12 C ATOM 394 O LEU A 46 37.504 8.377 36.237 1.00 14.23 O ATOM 395 CB LEU A 46 39.199 9.897 34.280 1.00 15.16 C ATOM 396 CG LEU A 46 38.477 9.744 32.913 1.00 16.63 C ATOM 397 CD1 LEU A 46 38.219 11.151 32.285 1.00 14.77 C ATOM 398 CD2 LEU A 46 39.396 8.904 32.004 1.00 19.92 C ATOM 0 H LEU A 46 39.788 10.272 36.667 1.00 13.68 H new ATOM 0 HA LEU A 46 37.852 11.302 35.048 1.00 15.31 H new ATOM 0 HB2 LEU A 46 39.972 10.474 34.173 1.00 15.16 H new ATOM 0 HB3 LEU A 46 39.529 9.032 34.568 1.00 15.16 H new ATOM 0 HG LEU A 46 37.617 9.308 33.020 1.00 16.63 H new ATOM 0 HD11 LEU A 46 37.768 11.047 31.432 1.00 14.77 H new ATOM 0 HD12 LEU A 46 37.663 11.675 32.882 1.00 14.77 H new ATOM 0 HD13 LEU A 46 39.065 11.605 32.150 1.00 14.77 H new ATOM 0 HD21 LEU A 46 38.976 8.787 31.138 1.00 19.92 H new ATOM 0 HD22 LEU A 46 40.245 9.360 31.892 1.00 19.92 H new ATOM 0 HD23 LEU A 46 39.546 8.036 32.409 1.00 19.92 H new ATOM 410 N ILE A 47 35.894 9.744 35.563 1.00 16.89 N ATOM 411 CA ILE A 47 34.828 8.742 35.926 1.00 18.66 C ATOM 412 C ILE A 47 34.258 8.073 34.662 1.00 18.60 C ATOM 413 O ILE A 47 33.565 7.088 34.766 1.00 19.78 O ATOM 414 CB ILE A 47 33.724 9.467 36.805 1.00 21.23 C ATOM 415 CG1 ILE A 47 33.233 10.798 36.198 1.00 20.62 C ATOM 416 CG2 ILE A 47 34.388 9.726 38.182 1.00 23.25 C ATOM 417 CD1 ILE A 47 31.995 11.331 36.974 1.00 21.38 C ATOM 0 H ILE A 47 35.607 10.483 35.230 1.00 16.89 H new ATOM 0 HA ILE A 47 35.204 8.023 36.458 1.00 18.66 H new ATOM 0 HB ILE A 47 32.935 8.906 36.863 1.00 21.23 H new ATOM 0 HG12 ILE A 47 33.946 11.455 36.227 1.00 20.62 H new ATOM 0 HG13 ILE A 47 33.004 10.668 35.264 1.00 20.62 H new ATOM 0 HG21 ILE A 47 33.756 10.171 38.768 1.00 23.25 H new ATOM 0 HG22 ILE A 47 34.654 8.881 38.577 1.00 23.25 H new ATOM 0 HG23 ILE A 47 35.170 10.288 38.064 1.00 23.25 H new ATOM 0 HD11 ILE A 47 31.701 12.167 36.579 1.00 21.38 H new ATOM 0 HD12 ILE A 47 31.277 10.680 36.925 1.00 21.38 H new ATOM 0 HD13 ILE A 47 32.234 11.479 37.902 1.00 21.38 H new ATOM 429 N ASN A 48 34.513 8.595 33.502 1.00 18.19 N ATOM 430 CA ASN A 48 34.040 7.975 32.225 1.00 17.93 C ATOM 431 C ASN A 48 34.734 8.845 31.161 1.00 17.34 C ATOM 432 O ASN A 48 35.208 9.910 31.494 1.00 17.11 O ATOM 433 CB ASN A 48 32.465 7.935 32.132 1.00 16.51 C ATOM 434 CG ASN A 48 31.685 9.205 31.894 1.00 18.82 C ATOM 435 OD1 ASN A 48 30.528 9.270 32.251 1.00 23.03 O ATOM 436 ND2 ASN A 48 32.207 10.232 31.316 1.00 15.49 N ATOM 0 H ASN A 48 34.963 9.320 33.395 1.00 18.19 H new ATOM 0 HA ASN A 48 34.267 7.037 32.123 1.00 17.93 H new ATOM 0 HB2 ASN A 48 32.235 7.318 31.419 1.00 16.51 H new ATOM 0 HB3 ASN A 48 32.138 7.548 32.959 1.00 16.51 H new ATOM 0 HD21 ASN A 48 31.736 10.941 31.192 1.00 15.49 H new ATOM 0 HD22 ASN A 48 33.026 10.208 31.055 1.00 15.49 H new ATOM 443 N SER A 49 34.814 8.444 29.911 1.00 19.15 N ATOM 444 CA SER A 49 35.490 9.184 28.803 1.00 18.50 C ATOM 445 C SER A 49 35.193 10.687 28.670 1.00 19.07 C ATOM 446 O SER A 49 36.007 11.391 28.121 1.00 17.22 O ATOM 447 CB ASER A 49 35.145 8.414 27.517 0.81 18.05 C ATOM 448 CB BSER A 49 35.087 8.490 27.479 0.20 20.12 C ATOM 449 OG ASER A 49 33.796 8.756 27.274 0.81 18.83 O ATOM 450 OG BSER A 49 34.787 7.131 27.791 0.20 21.13 O ATOM 0 H SER A 49 34.467 7.702 29.648 1.00 19.15 H new ATOM 0 HA SER A 49 36.439 9.204 29.001 1.00 18.50 H new ATOM 0 HB2ASER A 49 35.718 8.677 26.780 0.81 20.12 H new ATOM 0 HB2BSER A 49 34.318 8.928 27.083 0.20 20.12 H new ATOM 0 HB3ASER A 49 35.255 7.457 27.634 0.81 20.12 H new ATOM 0 HB3BSER A 49 35.808 8.542 26.832 0.20 20.12 H new ATOM 0 HG ASER A 49 33.293 8.204 27.659 0.81 21.13 H new ATOM 0 HG BSER A 49 33.963 7.052 27.935 0.20 21.13 H new ATOM 459 N GLN A 50 34.037 11.162 29.173 1.00 17.68 N ATOM 460 CA GLN A 50 33.679 12.600 29.040 1.00 16.63 C ATOM 461 C GLN A 50 33.594 13.409 30.354 1.00 16.82 C ATOM 462 O GLN A 50 33.419 14.608 30.249 1.00 15.38 O ATOM 463 CB GLN A 50 32.309 12.723 28.366 1.00 20.71 C ATOM 464 CG GLN A 50 32.262 12.152 26.928 1.00 27.77 C ATOM 465 CD GLN A 50 30.826 12.393 26.502 1.00 30.63 C ATOM 466 OE1 GLN A 50 29.937 11.649 26.863 1.00 37.87 O ATOM 467 NE2 GLN A 50 30.555 13.420 25.771 1.00 32.69 N ATOM 0 H GLN A 50 33.455 10.683 29.587 1.00 17.68 H new ATOM 0 HA GLN A 50 34.410 12.974 28.524 1.00 16.63 H new ATOM 0 HB2 GLN A 50 31.649 12.263 28.909 1.00 20.71 H new ATOM 0 HB3 GLN A 50 32.054 13.658 28.341 1.00 20.71 H new ATOM 0 HG2 GLN A 50 32.889 12.604 26.343 1.00 27.77 H new ATOM 0 HG3 GLN A 50 32.487 11.209 26.910 1.00 27.77 H new ATOM 0 HE21 GLN A 50 31.187 13.945 25.517 1.00 32.69 H new ATOM 0 HE22 GLN A 50 29.743 13.580 25.538 1.00 32.69 H new ATOM 476 N TRP A 51 33.712 12.782 31.498 1.00 13.69 N ATOM 477 CA TRP A 51 33.601 13.544 32.765 1.00 14.23 C ATOM 478 C TRP A 51 34.685 13.293 33.810 1.00 13.59 C ATOM 479 O TRP A 51 35.190 12.193 33.932 1.00 12.25 O ATOM 480 CB TRP A 51 32.204 13.232 33.423 1.00 14.00 C ATOM 481 CG TRP A 51 30.957 13.751 32.641 1.00 14.00 C ATOM 482 CD1 TRP A 51 30.265 13.077 31.675 1.00 13.73 C ATOM 483 CD2 TRP A 51 30.350 14.942 32.814 1.00 15.05 C ATOM 484 NE1 TRP A 51 29.310 13.899 31.345 1.00 14.34 N ATOM 485 CE2 TRP A 51 29.263 15.047 31.962 1.00 14.18 C ATOM 486 CE3 TRP A 51 30.636 16.007 33.663 1.00 17.03 C ATOM 487 CZ2 TRP A 51 28.468 16.170 31.939 1.00 14.10 C ATOM 488 CZ3 TRP A 51 29.830 17.156 33.644 1.00 18.99 C ATOM 489 CH2 TRP A 51 28.740 17.225 32.773 1.00 15.68 C ATOM 0 H TRP A 51 33.853 11.938 31.586 1.00 13.69 H new ATOM 0 HA TRP A 51 33.709 14.472 32.503 1.00 14.23 H new ATOM 0 HB2 TRP A 51 32.122 12.271 33.529 1.00 14.00 H new ATOM 0 HB3 TRP A 51 32.191 13.618 34.313 1.00 14.00 H new ATOM 0 HD1 TRP A 51 30.436 12.229 31.333 1.00 13.73 H new ATOM 0 HE1 TRP A 51 28.732 13.692 30.743 1.00 14.34 H new ATOM 0 HE3 TRP A 51 31.361 15.957 34.243 1.00 17.03 H new ATOM 0 HZ2 TRP A 51 27.744 16.214 31.357 1.00 14.10 H new ATOM 0 HZ3 TRP A 51 30.021 17.869 34.210 1.00 18.99 H new ATOM 0 HH2 TRP A 51 28.201 17.983 32.759 1.00 15.68 H new ATOM 500 N VAL A 52 34.975 14.346 34.528 1.00 15.86 N ATOM 501 CA VAL A 52 35.983 14.357 35.621 1.00 17.41 C ATOM 502 C VAL A 52 35.331 14.928 36.932 1.00 14.64 C ATOM 503 O VAL A 52 34.504 15.815 36.883 1.00 12.54 O ATOM 504 CB VAL A 52 37.190 15.246 35.182 1.00 17.35 C ATOM 505 CG1 VAL A 52 38.171 15.501 36.381 1.00 19.36 C ATOM 506 CG2 VAL A 52 37.984 14.548 34.040 1.00 17.57 C ATOM 0 H VAL A 52 34.594 15.108 34.410 1.00 15.86 H new ATOM 0 HA VAL A 52 36.295 13.456 35.798 1.00 17.41 H new ATOM 0 HB VAL A 52 36.831 16.093 34.874 1.00 17.35 H new ATOM 0 HG11 VAL A 52 38.910 16.054 36.083 1.00 19.36 H new ATOM 0 HG12 VAL A 52 37.697 15.953 37.096 1.00 19.36 H new ATOM 0 HG13 VAL A 52 38.513 14.653 36.706 1.00 19.36 H new ATOM 0 HG21 VAL A 52 38.730 15.108 33.775 1.00 17.57 H new ATOM 0 HG22 VAL A 52 38.317 13.693 34.353 1.00 17.57 H new ATOM 0 HG23 VAL A 52 37.400 14.408 33.278 1.00 17.57 H new ATOM 516 N VAL A 53 35.712 14.395 38.065 1.00 13.35 N ATOM 517 CA VAL A 53 35.163 14.893 39.352 1.00 14.83 C ATOM 518 C VAL A 53 36.433 15.487 40.019 1.00 14.32 C ATOM 519 O VAL A 53 37.514 14.920 39.940 1.00 13.33 O ATOM 520 CB AVAL A 53 34.514 13.686 40.187 0.79 14.91 C ATOM 521 CB BVAL A 53 34.609 13.700 40.269 0.10 16.07 C ATOM 522 CG1AVAL A 53 35.491 12.521 40.490 0.79 16.86 C ATOM 523 CG1BVAL A 53 33.402 12.987 39.659 0.10 14.43 C ATOM 524 CG2AVAL A 53 33.937 14.171 41.528 0.79 14.89 C ATOM 525 CG2BVAL A 53 35.655 12.586 40.504 0.10 16.66 C ATOM 0 H VAL A 53 36.278 13.752 38.136 1.00 13.35 H new ATOM 0 HA VAL A 53 34.444 15.540 39.275 1.00 14.83 H new ATOM 0 HB AVAL A 53 33.813 13.350 39.606 0.79 16.07 H new ATOM 0 HB BVAL A 53 34.374 14.148 41.097 0.10 16.07 H new ATOM 0 HG11AVAL A 53 35.029 11.834 40.995 0.79 14.43 H new ATOM 0 HG11BVAL A 53 33.110 12.278 40.253 0.10 14.43 H new ATOM 0 HG12AVAL A 53 35.816 12.146 39.657 0.79 14.43 H new ATOM 0 HG12BVAL A 53 32.679 13.622 39.535 0.10 14.43 H new ATOM 0 HG13AVAL A 53 36.240 12.853 41.009 0.79 14.43 H new ATOM 0 HG13BVAL A 53 33.649 12.608 38.801 0.10 14.43 H new ATOM 0 HG21AVAL A 53 33.554 13.419 42.006 0.79 16.66 H new ATOM 0 HG21BVAL A 53 35.270 11.893 41.062 0.10 16.66 H new ATOM 0 HG22AVAL A 53 34.645 14.566 42.061 0.79 16.66 H new ATOM 0 HG22BVAL A 53 35.919 12.205 39.652 0.10 16.66 H new ATOM 0 HG23AVAL A 53 33.248 14.834 41.363 0.79 16.66 H new ATOM 0 HG23BVAL A 53 36.433 12.961 40.945 0.10 16.66 H new ATOM 542 N SER A 54 36.258 16.637 40.626 1.00 14.52 N ATOM 543 CA SER A 54 37.396 17.291 41.333 1.00 13.35 C ATOM 544 C SER A 54 36.697 17.995 42.514 1.00 13.74 C ATOM 545 O SER A 54 35.548 17.729 42.833 1.00 12.43 O ATOM 546 CB SER A 54 38.121 18.275 40.393 1.00 13.02 C ATOM 547 OG SER A 54 39.193 18.831 41.144 1.00 14.39 O ATOM 0 H SER A 54 35.514 17.068 40.655 1.00 14.52 H new ATOM 0 HA SER A 54 38.090 16.681 41.629 1.00 13.35 H new ATOM 0 HB2 SER A 54 38.452 17.819 39.604 1.00 13.02 H new ATOM 0 HB3 SER A 54 37.517 18.969 40.087 1.00 13.02 H new ATOM 0 HG SER A 54 39.905 18.427 40.957 1.00 14.39 H new ATOM 553 N ALA A 55 37.396 18.889 43.139 1.00 14.61 N ATOM 554 CA ALA A 55 36.822 19.608 44.285 1.00 13.50 C ATOM 555 C ALA A 55 36.335 21.002 43.829 1.00 13.37 C ATOM 556 O ALA A 55 36.907 21.636 42.968 1.00 13.53 O ATOM 557 CB ALA A 55 37.907 19.759 45.342 1.00 12.38 C ATOM 0 H ALA A 55 38.202 19.111 42.936 1.00 14.61 H new ATOM 0 HA ALA A 55 36.068 19.118 44.649 1.00 13.50 H new ATOM 0 HB1 ALA A 55 37.548 20.232 46.109 1.00 12.38 H new ATOM 0 HB2 ALA A 55 38.214 18.881 45.619 1.00 12.38 H new ATOM 0 HB3 ALA A 55 38.651 20.260 44.973 1.00 12.38 H new ATOM 563 N ALA A 56 35.278 21.446 44.453 1.00 12.90 N ATOM 564 CA ALA A 56 34.698 22.778 44.139 1.00 12.34 C ATOM 565 C ALA A 56 35.678 23.890 44.492 1.00 12.46 C ATOM 566 O ALA A 56 35.657 24.933 43.876 1.00 13.84 O ATOM 567 CB ALA A 56 33.428 22.986 44.927 1.00 10.52 C ATOM 0 H ALA A 56 34.862 21.011 45.067 1.00 12.90 H new ATOM 0 HA ALA A 56 34.509 22.806 43.188 1.00 12.34 H new ATOM 0 HB1 ALA A 56 33.056 23.857 44.717 1.00 10.52 H new ATOM 0 HB2 ALA A 56 32.787 22.296 44.696 1.00 10.52 H new ATOM 0 HB3 ALA A 56 33.624 22.939 45.876 1.00 10.52 H new ATOM 573 N HIS A 57 36.534 23.679 45.454 1.00 13.28 N ATOM 574 CA HIS A 57 37.481 24.769 45.803 1.00 11.90 C ATOM 575 C HIS A 57 38.574 24.878 44.748 1.00 12.97 C ATOM 576 O HIS A 57 39.424 25.735 44.828 1.00 15.79 O ATOM 577 CB HIS A 57 38.063 24.540 47.257 1.00 11.63 C ATOM 578 CG HIS A 57 39.159 23.506 47.483 1.00 12.61 C ATOM 579 ND1 HIS A 57 39.007 22.257 47.735 1.00 15.05 N ATOM 580 CD2 HIS A 57 40.531 23.658 47.482 1.00 15.49 C ATOM 581 CE1 HIS A 57 40.148 21.671 47.882 1.00 13.59 C ATOM 582 NE2 HIS A 57 41.134 22.511 47.734 1.00 17.02 N ATOM 0 H HIS A 57 36.604 22.956 45.914 1.00 13.28 H new ATOM 0 HA HIS A 57 37.010 25.617 45.812 1.00 11.90 H new ATOM 0 HB2 HIS A 57 38.402 25.393 47.570 1.00 11.63 H new ATOM 0 HB3 HIS A 57 37.319 24.302 47.832 1.00 11.63 H new ATOM 0 HD1 HIS A 57 38.246 21.862 47.798 1.00 15.05 H new ATOM 0 HD2 HIS A 57 40.972 24.462 47.325 1.00 15.49 H new ATOM 0 HE1 HIS A 57 40.253 20.766 48.069 1.00 13.59 H new ATOM 590 N CYS A 58 38.522 24.023 43.776 1.00 13.72 N ATOM 591 CA CYS A 58 39.512 24.031 42.647 1.00 14.93 C ATOM 592 C CYS A 58 38.843 24.750 41.456 1.00 16.05 C ATOM 593 O CYS A 58 39.401 24.845 40.382 1.00 18.15 O ATOM 594 CB CYS A 58 39.863 22.609 42.182 1.00 15.65 C ATOM 595 SG CYS A 58 40.989 21.741 43.295 1.00 16.05 S ATOM 0 H CYS A 58 37.926 23.406 43.716 1.00 13.72 H new ATOM 0 HA CYS A 58 40.324 24.468 42.950 1.00 14.93 H new ATOM 0 HB2 CYS A 58 39.045 22.094 42.095 1.00 15.65 H new ATOM 0 HB3 CYS A 58 40.264 22.655 41.300 1.00 15.65 H new ATOM 600 N TYR A 59 37.650 25.236 41.651 1.00 16.65 N ATOM 601 CA TYR A 59 36.950 25.936 40.556 1.00 17.78 C ATOM 602 C TYR A 59 37.725 27.174 40.033 1.00 16.77 C ATOM 603 O TYR A 59 38.214 27.989 40.798 1.00 19.66 O ATOM 604 CB TYR A 59 35.521 26.368 41.064 1.00 18.35 C ATOM 605 CG TYR A 59 34.923 27.346 40.043 1.00 19.80 C ATOM 606 CD1 TYR A 59 34.976 28.719 40.249 1.00 20.54 C ATOM 607 CD2 TYR A 59 34.368 26.863 38.869 1.00 23.40 C ATOM 608 CE1 TYR A 59 34.493 29.578 39.303 1.00 19.93 C ATOM 609 CE2 TYR A 59 33.886 27.737 37.921 1.00 22.03 C ATOM 610 CZ TYR A 59 33.950 29.086 38.138 1.00 21.35 C ATOM 611 OH TYR A 59 33.469 29.933 37.170 1.00 25.38 O ATOM 0 H TYR A 59 37.214 25.184 42.390 1.00 16.65 H new ATOM 0 HA TYR A 59 36.881 25.321 39.809 1.00 17.78 H new ATOM 0 HB2 TYR A 59 34.949 25.591 41.164 1.00 18.35 H new ATOM 0 HB3 TYR A 59 35.585 26.787 41.936 1.00 18.35 H new ATOM 0 HD1 TYR A 59 35.342 29.055 41.035 1.00 20.54 H new ATOM 0 HD2 TYR A 59 34.321 25.946 38.721 1.00 23.40 H new ATOM 0 HE1 TYR A 59 34.531 30.496 39.446 1.00 19.93 H new ATOM 0 HE2 TYR A 59 33.517 27.410 37.133 1.00 22.03 H new ATOM 0 HH TYR A 59 33.174 29.483 36.525 1.00 25.38 H new ATOM 621 N LYS A 60 37.762 27.242 38.730 1.00 18.71 N ATOM 622 CA LYS A 60 38.418 28.299 37.907 1.00 21.09 C ATOM 623 C LYS A 60 37.717 28.271 36.536 1.00 22.31 C ATOM 624 O LYS A 60 37.038 27.320 36.177 1.00 22.35 O ATOM 625 CB LYS A 60 39.901 27.990 37.582 1.00 23.22 C ATOM 626 CG LYS A 60 40.862 28.720 38.411 1.00 25.83 C ATOM 627 CD LYS A 60 42.286 28.355 37.850 1.00 27.12 C ATOM 628 CE LYS A 60 43.394 28.825 38.842 1.00 26.80 C ATOM 629 NZ LYS A 60 44.659 28.087 38.618 0.02 25.69 N ATOM 0 H LYS A 60 37.386 26.642 38.241 1.00 18.71 H new ATOM 0 HA LYS A 60 38.362 29.132 38.400 1.00 21.09 H new ATOM 0 HB2 LYS A 60 40.054 27.038 37.690 1.00 23.22 H new ATOM 0 HB3 LYS A 60 40.068 28.200 36.650 1.00 23.22 H new ATOM 0 HG2 LYS A 60 40.705 29.676 38.364 1.00 25.83 H new ATOM 0 HG3 LYS A 60 40.780 28.465 39.343 1.00 25.83 H new ATOM 0 HD2 LYS A 60 42.351 27.397 37.713 1.00 27.12 H new ATOM 0 HD3 LYS A 60 42.418 28.775 36.986 1.00 27.12 H new ATOM 0 HE2 LYS A 60 43.548 29.776 38.733 1.00 26.80 H new ATOM 0 HE3 LYS A 60 43.094 28.689 39.754 1.00 26.80 H new ATOM 0 HZ1 LYS A 60 45.349 28.629 38.767 0.02 25.69 H new ATOM 0 HZ2 LYS A 60 44.701 27.394 39.175 0.02 25.69 H new ATOM 0 HZ3 LYS A 60 44.687 27.794 37.778 0.02 25.69 H new ATOM 643 N SER A 61 37.951 29.323 35.816 1.00 23.15 N ATOM 644 CA SER A 61 37.385 29.453 34.464 1.00 22.65 C ATOM 645 C SER A 61 38.634 29.148 33.568 1.00 23.19 C ATOM 646 O SER A 61 39.732 29.486 33.976 1.00 29.01 O ATOM 647 CB ASER A 61 36.883 30.915 34.330 0.19 21.56 C ATOM 648 CB BSER A 61 36.848 30.882 34.289 0.16 23.05 C ATOM 649 CB CSER A 61 36.909 30.892 34.270 0.41 22.35 C ATOM 650 OG ASER A 61 36.222 31.032 33.075 0.19 19.91 O ATOM 651 OG BSER A 61 37.812 31.763 34.849 0.16 23.82 O ATOM 652 OG CSER A 61 35.932 31.046 35.300 0.41 22.94 O ATOM 0 H SER A 61 38.433 29.988 36.071 1.00 23.15 H new ATOM 0 HA SER A 61 36.637 28.872 34.254 1.00 22.65 H new ATOM 0 HB2ASER A 61 36.278 31.135 35.055 0.19 22.35 H new ATOM 0 HB2BSER A 61 36.705 31.082 33.351 0.16 22.35 H new ATOM 0 HB2CSER A 61 37.636 31.527 34.366 0.41 22.35 H new ATOM 0 HB3ASER A 61 37.626 31.536 34.383 0.19 22.35 H new ATOM 0 HB3BSER A 61 35.992 30.983 34.734 0.16 22.35 H new ATOM 0 HB3CSER A 61 36.527 31.029 33.389 0.41 22.35 H new ATOM 0 HG ASER A 61 35.939 31.817 32.979 0.19 22.94 H new ATOM 0 HG BSER A 61 37.548 32.556 34.768 0.16 22.94 H new ATOM 0 HG CSER A 61 35.612 31.822 35.269 0.41 22.94 H new ATOM 664 N GLY A 62 38.507 28.535 32.429 1.00 23.01 N ATOM 665 CA GLY A 62 39.735 28.295 31.614 1.00 24.88 C ATOM 666 C GLY A 62 40.549 27.069 31.967 1.00 24.05 C ATOM 667 O GLY A 62 41.762 27.118 31.913 1.00 27.86 O ATOM 0 H GLY A 62 37.769 28.249 32.093 1.00 23.01 H new ATOM 0 HA2 GLY A 62 39.473 28.228 30.682 1.00 24.88 H new ATOM 0 HA3 GLY A 62 40.309 29.073 31.692 1.00 24.88 H new ATOM 671 N ILE A 63 39.893 25.998 32.285 1.00 23.90 N ATOM 672 CA ILE A 63 40.635 24.755 32.661 1.00 21.14 C ATOM 673 C ILE A 63 40.910 23.759 31.482 1.00 18.56 C ATOM 674 O ILE A 63 40.072 23.517 30.631 1.00 14.02 O ATOM 675 CB ILE A 63 39.769 24.037 33.822 1.00 21.39 C ATOM 676 CG1 ILE A 63 39.693 24.889 35.156 1.00 21.31 C ATOM 677 CG2 ILE A 63 40.231 22.563 34.106 1.00 22.16 C ATOM 678 CD1 ILE A 63 38.631 24.265 36.144 1.00 24.56 C ATOM 0 H ILE A 63 39.036 25.933 32.301 1.00 23.90 H new ATOM 0 HA ILE A 63 41.522 25.012 32.957 1.00 21.14 H new ATOM 0 HB ILE A 63 38.866 23.987 33.471 1.00 21.39 H new ATOM 0 HG12 ILE A 63 40.564 24.914 35.581 1.00 21.31 H new ATOM 0 HG13 ILE A 63 39.452 25.805 34.949 1.00 21.31 H new ATOM 0 HG21 ILE A 63 39.681 22.181 34.808 1.00 22.16 H new ATOM 0 HG22 ILE A 63 40.139 22.033 33.299 1.00 22.16 H new ATOM 0 HG23 ILE A 63 41.159 22.563 34.388 1.00 22.16 H new ATOM 0 HD11 ILE A 63 38.594 24.795 36.956 1.00 24.56 H new ATOM 0 HD12 ILE A 63 37.758 24.261 35.721 1.00 24.56 H new ATOM 0 HD13 ILE A 63 38.888 23.356 36.363 1.00 24.56 H new ATOM 690 N GLN A 64 42.103 23.213 31.487 1.00 17.63 N ATOM 691 CA GLN A 64 42.485 22.235 30.467 1.00 17.23 C ATOM 692 C GLN A 64 42.760 21.002 31.397 1.00 18.08 C ATOM 693 O GLN A 64 43.442 21.101 32.405 1.00 17.26 O ATOM 694 CB GLN A 64 43.762 22.662 29.706 1.00 19.02 C ATOM 695 CG GLN A 64 44.022 21.598 28.577 1.00 21.99 C ATOM 696 CD GLN A 64 45.408 21.830 27.905 1.00 24.01 C ATOM 697 OE1 GLN A 64 46.419 21.887 28.569 1.00 24.47 O ATOM 698 NE2 GLN A 64 45.535 21.966 26.619 1.00 22.53 N ATOM 0 H GLN A 64 42.714 23.387 32.067 1.00 17.63 H new ATOM 0 HA GLN A 64 41.832 22.095 29.763 1.00 17.23 H new ATOM 0 HB2 GLN A 64 43.650 23.546 29.322 1.00 19.02 H new ATOM 0 HB3 GLN A 64 44.519 22.709 30.311 1.00 19.02 H new ATOM 0 HG2 GLN A 64 43.986 20.705 28.954 1.00 21.99 H new ATOM 0 HG3 GLN A 64 43.321 21.652 27.909 1.00 21.99 H new ATOM 0 HE21 GLN A 64 44.841 21.932 26.112 1.00 22.53 H new ATOM 0 HE22 GLN A 64 46.313 22.090 26.275 1.00 22.53 H new ATOM 707 N VAL A 65 42.223 19.880 31.027 1.00 14.79 N ATOM 708 CA VAL A 65 42.368 18.626 31.783 1.00 15.39 C ATOM 709 C VAL A 65 43.480 17.861 31.090 1.00 15.45 C ATOM 710 O VAL A 65 43.464 17.757 29.872 1.00 18.15 O ATOM 711 CB VAL A 65 41.005 17.894 31.697 1.00 15.63 C ATOM 712 CG1 VAL A 65 41.103 16.496 32.286 1.00 19.07 C ATOM 713 CG2 VAL A 65 39.874 18.680 32.468 1.00 18.71 C ATOM 0 H VAL A 65 41.748 19.800 30.315 1.00 14.79 H new ATOM 0 HA VAL A 65 42.592 18.740 32.720 1.00 15.39 H new ATOM 0 HB VAL A 65 40.775 17.843 30.756 1.00 15.63 H new ATOM 0 HG11 VAL A 65 40.241 16.057 32.222 1.00 19.07 H new ATOM 0 HG12 VAL A 65 41.764 15.983 31.795 1.00 19.07 H new ATOM 0 HG13 VAL A 65 41.367 16.555 33.217 1.00 19.07 H new ATOM 0 HG21 VAL A 65 39.036 18.197 32.395 1.00 18.71 H new ATOM 0 HG22 VAL A 65 40.118 18.764 33.403 1.00 18.71 H new ATOM 0 HG23 VAL A 65 39.772 19.563 32.081 1.00 18.71 H new ATOM 723 N ARG A 66 44.403 17.357 31.861 1.00 15.53 N ATOM 724 CA ARG A 66 45.547 16.575 31.301 1.00 17.63 C ATOM 725 C ARG A 66 45.521 15.183 31.924 1.00 17.97 C ATOM 726 O ARG A 66 45.687 15.056 33.132 1.00 16.47 O ATOM 727 CB ARG A 66 46.907 17.273 31.613 1.00 17.49 C ATOM 728 CG ARG A 66 46.949 18.617 30.846 1.00 17.37 C ATOM 729 CD ARG A 66 48.247 19.385 31.093 1.00 18.24 C ATOM 730 NE ARG A 66 48.257 20.523 30.148 1.00 18.29 N ATOM 731 CZ ARG A 66 49.335 20.899 29.537 1.00 19.28 C ATOM 732 NH1 ARG A 66 50.491 20.523 29.991 1.00 22.96 N ATOM 733 NH2 ARG A 66 49.221 21.655 28.486 1.00 21.51 N ATOM 0 H ARG A 66 44.413 17.440 32.717 1.00 15.53 H new ATOM 0 HA ARG A 66 45.459 16.518 30.337 1.00 17.63 H new ATOM 0 HB2 ARG A 66 46.998 17.425 32.567 1.00 17.49 H new ATOM 0 HB3 ARG A 66 47.647 16.707 31.344 1.00 17.49 H new ATOM 0 HG2 ARG A 66 46.851 18.448 29.896 1.00 17.37 H new ATOM 0 HG3 ARG A 66 46.195 19.165 31.116 1.00 17.37 H new ATOM 0 HD2 ARG A 66 48.292 19.699 32.010 1.00 18.24 H new ATOM 0 HD3 ARG A 66 49.017 18.813 30.951 1.00 18.24 H new ATOM 0 HE ARG A 66 47.524 20.948 30.000 1.00 18.29 H new ATOM 0 HH11 ARG A 66 50.537 20.028 30.693 1.00 22.96 H new ATOM 0 HH12 ARG A 66 51.211 20.769 29.590 1.00 22.96 H new ATOM 0 HH21 ARG A 66 48.442 21.894 28.211 1.00 21.51 H new ATOM 0 HH22 ARG A 66 49.924 21.916 28.066 1.00 21.51 H new ATOM 747 N LEU A 67 45.304 14.221 30.976 1.00 16.56 N ATOM 748 CA LEU A 67 45.233 12.736 31.270 1.00 16.22 C ATOM 749 C LEU A 67 46.542 12.037 30.829 1.00 18.75 C ATOM 750 O LEU A 67 47.233 12.541 29.965 1.00 21.23 O ATOM 751 CB ALEU A 67 44.108 12.085 30.453 0.57 16.02 C ATOM 752 CB BLEU A 67 44.081 12.015 30.508 0.27 16.41 C ATOM 753 CG ALEU A 67 42.810 12.912 30.429 0.57 18.04 C ATOM 754 CG BLEU A 67 42.715 12.686 30.795 0.27 16.77 C ATOM 755 CD1ALEU A 67 41.784 12.262 29.456 0.57 19.97 C ATOM 756 CD1BLEU A 67 42.393 13.710 29.702 0.27 16.04 C ATOM 757 CD2ALEU A 67 42.188 12.943 31.852 0.57 18.53 C ATOM 758 CD2BLEU A 67 41.579 11.640 30.885 0.27 16.29 C ATOM 0 H LEU A 67 45.193 14.407 30.144 1.00 16.56 H new ATOM 0 HA LEU A 67 45.083 12.638 32.223 1.00 16.22 H new ATOM 0 HB2ALEU A 67 44.415 11.951 29.543 0.57 16.41 H new ATOM 0 HB2BLEU A 67 44.259 12.033 29.555 0.27 16.41 H new ATOM 0 HB3ALEU A 67 43.917 11.208 30.820 0.57 16.41 H new ATOM 0 HB3BLEU A 67 44.048 11.082 30.773 0.27 16.41 H new ATOM 0 HG ALEU A 67 43.018 13.812 30.134 0.57 16.77 H new ATOM 0 HG BLEU A 67 42.779 13.136 31.652 0.27 16.77 H new ATOM 0 HD11ALEU A 67 40.969 12.788 29.446 0.57 16.04 H new ATOM 0 HD11BLEU A 67 41.537 14.125 29.889 0.27 16.04 H new ATOM 0 HD12ALEU A 67 42.160 12.232 28.562 0.57 16.04 H new ATOM 0 HD12BLEU A 67 43.084 14.390 29.682 0.27 16.04 H new ATOM 0 HD13ALEU A 67 41.583 11.361 29.752 0.57 16.04 H new ATOM 0 HD13BLEU A 67 42.354 13.264 28.842 0.27 16.04 H new ATOM 0 HD21ALEU A 67 41.370 13.464 31.837 0.57 16.29 H new ATOM 0 HD21BLEU A 67 40.738 12.089 31.065 0.27 16.29 H new ATOM 0 HD22ALEU A 67 41.989 12.038 32.138 0.57 16.29 H new ATOM 0 HD22BLEU A 67 41.515 11.159 30.045 0.27 16.29 H new ATOM 0 HD23ALEU A 67 42.816 13.346 32.471 0.57 16.29 H new ATOM 0 HD23BLEU A 67 41.771 11.015 31.601 0.27 16.29 H new ATOM 779 N GLY A 69 46.845 10.962 31.459 1.00 18.93 N ATOM 780 CA GLY A 69 48.065 10.165 31.117 1.00 21.12 C ATOM 781 C GLY A 69 49.360 10.782 31.539 1.00 21.26 C ATOM 782 O GLY A 69 50.424 10.482 31.012 1.00 24.38 O ATOM 0 H GLY A 69 46.378 10.637 32.104 1.00 18.93 H new ATOM 0 HA2 GLY A 69 47.989 9.290 31.529 1.00 21.12 H new ATOM 0 HA3 GLY A 69 48.086 10.026 30.157 1.00 21.12 H new ATOM 786 N GLU A 70 49.234 11.629 32.507 1.00 20.22 N ATOM 787 CA GLU A 70 50.438 12.322 33.018 1.00 20.72 C ATOM 788 C GLU A 70 51.186 11.594 34.102 1.00 21.12 C ATOM 789 O GLU A 70 50.609 10.823 34.846 1.00 19.71 O ATOM 790 CB GLU A 70 50.055 13.700 33.644 1.00 19.96 C ATOM 791 CG GLU A 70 49.640 14.731 32.604 1.00 20.24 C ATOM 792 CD GLU A 70 50.899 15.396 31.983 1.00 19.76 C ATOM 793 OE1 GLU A 70 51.955 14.778 31.960 1.00 18.32 O ATOM 794 OE2 GLU A 70 50.733 16.513 31.545 1.00 18.39 O ATOM 0 H GLU A 70 48.494 11.834 32.894 1.00 20.22 H new ATOM 0 HA GLU A 70 51.005 12.392 32.234 1.00 20.72 H new ATOM 0 HB2 GLU A 70 49.328 13.573 34.274 1.00 19.96 H new ATOM 0 HB3 GLU A 70 50.810 14.042 34.148 1.00 19.96 H new ATOM 0 HG2 GLU A 70 49.113 14.306 31.909 1.00 20.24 H new ATOM 0 HG3 GLU A 70 49.077 15.406 33.014 1.00 20.24 H new ATOM 801 N ASP A 71 52.456 11.878 34.128 1.00 19.44 N ATOM 802 CA ASP A 71 53.311 11.288 35.173 1.00 19.06 C ATOM 803 C ASP A 71 54.166 12.516 35.444 1.00 19.11 C ATOM 804 O ASP A 71 53.936 13.156 36.448 1.00 19.33 O ATOM 805 CB ASP A 71 54.224 10.086 34.747 1.00 17.26 C ATOM 806 CG ASP A 71 54.971 9.662 36.043 1.00 22.17 C ATOM 807 OD1 ASP A 71 54.410 9.775 37.123 1.00 23.57 O ATOM 808 OD2 ASP A 71 56.094 9.225 35.908 1.00 24.90 O ATOM 0 H ASP A 71 52.857 12.397 33.572 1.00 19.44 H new ATOM 0 HA ASP A 71 52.802 10.890 35.897 1.00 19.06 H new ATOM 0 HB2 ASP A 71 53.696 9.354 34.391 1.00 17.26 H new ATOM 0 HB3 ASP A 71 54.848 10.349 34.053 1.00 17.26 H new ATOM 813 N ASN A 72 55.095 12.873 34.587 1.00 16.35 N ATOM 814 CA ASN A 72 55.930 14.079 34.858 1.00 15.88 C ATOM 815 C ASN A 72 55.087 15.181 34.201 1.00 15.63 C ATOM 816 O ASN A 72 54.897 15.148 33.010 1.00 14.79 O ATOM 817 CB ASN A 72 57.280 13.934 34.154 1.00 17.30 C ATOM 818 CG ASN A 72 58.125 15.138 34.511 1.00 18.73 C ATOM 819 OD1 ASN A 72 57.689 16.273 34.513 1.00 19.02 O ATOM 820 ND2 ASN A 72 59.367 14.978 34.831 1.00 21.12 N ATOM 0 H ASN A 72 55.274 12.459 33.855 1.00 16.35 H new ATOM 0 HA ASN A 72 56.128 14.241 35.794 1.00 15.88 H new ATOM 0 HB2 ASN A 72 57.721 13.116 34.431 1.00 17.30 H new ATOM 0 HB3 ASN A 72 57.157 13.878 33.193 1.00 17.30 H new ATOM 0 HD21 ASN A 72 59.850 15.660 35.034 1.00 21.12 H new ATOM 0 HD22 ASN A 72 59.710 14.190 34.841 1.00 21.12 H new ATOM 827 N ILE A 73 54.616 16.126 34.948 1.00 15.55 N ATOM 828 CA ILE A 73 53.775 17.200 34.333 1.00 17.85 C ATOM 829 C ILE A 73 54.541 18.316 33.667 1.00 17.60 C ATOM 830 O ILE A 73 53.920 19.238 33.156 1.00 18.10 O ATOM 831 CB ILE A 73 52.862 17.834 35.391 1.00 17.20 C ATOM 832 CG1 ILE A 73 53.708 18.216 36.677 1.00 18.82 C ATOM 833 CG2 ILE A 73 51.690 16.885 35.672 1.00 16.63 C ATOM 834 CD1 ILE A 73 52.817 18.953 37.698 1.00 19.31 C ATOM 0 H ILE A 73 54.746 16.197 35.795 1.00 15.55 H new ATOM 0 HA ILE A 73 53.275 16.742 33.639 1.00 17.85 H new ATOM 0 HB ILE A 73 52.479 18.666 35.071 1.00 17.20 H new ATOM 0 HG12 ILE A 73 54.078 17.415 37.079 1.00 18.82 H new ATOM 0 HG13 ILE A 73 54.457 18.779 36.425 1.00 18.82 H new ATOM 0 HG21 ILE A 73 51.108 17.279 36.340 1.00 16.63 H new ATOM 0 HG22 ILE A 73 51.190 16.737 34.854 1.00 16.63 H new ATOM 0 HG23 ILE A 73 52.031 16.038 35.999 1.00 16.63 H new ATOM 0 HD11 ILE A 73 53.343 19.182 38.480 1.00 19.31 H new ATOM 0 HD12 ILE A 73 52.466 19.763 37.296 1.00 19.31 H new ATOM 0 HD13 ILE A 73 52.081 18.378 37.961 1.00 19.31 H new ATOM 846 N ASN A 74 55.835 18.184 33.702 1.00 15.53 N ATOM 847 CA ASN A 74 56.717 19.203 33.079 1.00 17.29 C ATOM 848 C ASN A 74 57.361 18.622 31.806 1.00 17.30 C ATOM 849 O ASN A 74 58.040 19.340 31.091 1.00 20.23 O ATOM 850 CB ASN A 74 57.836 19.639 34.057 1.00 16.05 C ATOM 851 CG ASN A 74 57.402 20.869 34.836 1.00 16.99 C ATOM 852 OD1 ASN A 74 56.621 21.702 34.410 1.00 16.79 O ATOM 853 ND2 ASN A 74 57.884 21.070 36.016 1.00 18.52 N ATOM 0 H ASN A 74 56.247 17.526 34.072 1.00 15.53 H new ATOM 0 HA ASN A 74 56.176 19.977 32.857 1.00 17.29 H new ATOM 0 HB2 ASN A 74 58.039 18.915 34.670 1.00 16.05 H new ATOM 0 HB3 ASN A 74 58.649 19.830 33.564 1.00 16.05 H new ATOM 0 HD21 ASN A 74 57.651 21.767 36.463 1.00 18.52 H new ATOM 0 HD22 ASN A 74 58.439 20.507 36.356 1.00 18.52 H new ATOM 860 N VAL A 75 57.140 17.362 31.528 1.00 18.00 N ATOM 861 CA VAL A 75 57.734 16.725 30.317 1.00 18.43 C ATOM 862 C VAL A 75 56.669 15.999 29.507 1.00 18.98 C ATOM 863 O VAL A 75 55.876 15.300 30.088 1.00 22.64 O ATOM 864 CB VAL A 75 58.847 15.693 30.773 1.00 19.72 C ATOM 865 CG1 VAL A 75 59.485 15.010 29.521 1.00 19.96 C ATOM 866 CG2 VAL A 75 59.963 16.398 31.642 1.00 19.68 C ATOM 0 H VAL A 75 56.655 16.838 32.008 1.00 18.00 H new ATOM 0 HA VAL A 75 58.124 17.415 29.758 1.00 18.43 H new ATOM 0 HB VAL A 75 58.425 15.017 31.325 1.00 19.72 H new ATOM 0 HG11 VAL A 75 60.165 14.380 29.807 1.00 19.96 H new ATOM 0 HG12 VAL A 75 58.798 14.540 29.023 1.00 19.96 H new ATOM 0 HG13 VAL A 75 59.889 15.686 28.954 1.00 19.96 H new ATOM 0 HG21 VAL A 75 60.629 15.744 31.906 1.00 19.68 H new ATOM 0 HG22 VAL A 75 60.386 17.097 31.120 1.00 19.68 H new ATOM 0 HG23 VAL A 75 59.560 16.786 32.434 1.00 19.68 H new ATOM 876 N VAL A 76 56.663 16.139 28.212 1.00 16.24 N ATOM 877 CA VAL A 76 55.654 15.431 27.382 1.00 19.33 C ATOM 878 C VAL A 76 56.344 14.063 27.161 1.00 21.55 C ATOM 879 O VAL A 76 57.256 13.934 26.355 1.00 20.77 O ATOM 880 CB VAL A 76 55.461 16.145 26.026 1.00 21.43 C ATOM 881 CG1 VAL A 76 54.549 15.265 25.138 1.00 23.16 C ATOM 882 CG2 VAL A 76 54.812 17.535 26.258 1.00 20.45 C ATOM 0 H VAL A 76 57.217 16.628 27.772 1.00 16.24 H new ATOM 0 HA VAL A 76 54.775 15.383 27.788 1.00 19.33 H new ATOM 0 HB VAL A 76 56.316 16.276 25.587 1.00 21.43 H new ATOM 0 HG11 VAL A 76 54.416 15.698 24.280 1.00 23.16 H new ATOM 0 HG12 VAL A 76 54.967 14.400 25.002 1.00 23.16 H new ATOM 0 HG13 VAL A 76 53.691 15.144 25.575 1.00 23.16 H new ATOM 0 HG21 VAL A 76 54.691 17.982 25.406 1.00 20.45 H new ATOM 0 HG22 VAL A 76 53.950 17.422 26.688 1.00 20.45 H new ATOM 0 HG23 VAL A 76 55.388 18.071 26.825 1.00 20.45 H new ATOM 892 N GLU A 77 55.897 13.085 27.887 1.00 22.00 N ATOM 893 CA GLU A 77 56.468 11.725 27.792 1.00 24.74 C ATOM 894 C GLU A 77 55.781 10.838 26.798 1.00 27.10 C ATOM 895 O GLU A 77 56.187 9.699 26.699 1.00 28.61 O ATOM 896 CB GLU A 77 56.417 11.073 29.184 1.00 23.18 C ATOM 897 CG GLU A 77 57.406 11.834 30.085 1.00 25.39 C ATOM 898 CD GLU A 77 57.396 11.324 31.553 1.00 26.29 C ATOM 899 OE1 GLU A 77 56.443 11.544 32.277 1.00 24.61 O ATOM 900 OE2 GLU A 77 58.390 10.716 31.892 1.00 28.90 O ATOM 0 H GLU A 77 55.256 13.163 28.456 1.00 22.00 H new ATOM 0 HA GLU A 77 57.379 11.824 27.474 1.00 24.74 H new ATOM 0 HB2 GLU A 77 55.519 11.117 29.549 1.00 23.18 H new ATOM 0 HB3 GLU A 77 56.656 10.134 29.131 1.00 23.18 H new ATOM 0 HG2 GLU A 77 58.301 11.746 29.722 1.00 25.39 H new ATOM 0 HG3 GLU A 77 57.187 12.779 30.073 1.00 25.39 H new ATOM 907 N GLY A 78 54.795 11.326 26.100 1.00 26.66 N ATOM 908 CA GLY A 78 54.151 10.415 25.122 1.00 26.15 C ATOM 909 C GLY A 78 52.798 9.867 25.512 1.00 27.30 C ATOM 910 O GLY A 78 52.107 9.453 24.611 1.00 30.91 O ATOM 0 H GLY A 78 54.480 12.125 26.150 1.00 26.66 H new ATOM 0 HA2 GLY A 78 54.057 10.888 24.280 1.00 26.15 H new ATOM 0 HA3 GLY A 78 54.748 9.668 24.962 1.00 26.15 H new ATOM 914 N ASN A 79 52.371 9.832 26.749 1.00 23.80 N ATOM 915 CA ASN A 79 50.992 9.241 26.963 1.00 25.94 C ATOM 916 C ASN A 79 49.947 10.234 27.371 1.00 24.04 C ATOM 917 O ASN A 79 48.901 9.841 27.852 1.00 25.25 O ATOM 918 CB ASN A 79 51.038 8.175 28.051 1.00 27.64 C ATOM 919 CG ASN A 79 52.038 7.124 27.615 1.00 32.65 C ATOM 920 OD1 ASN A 79 53.097 7.002 28.195 1.00 32.13 O ATOM 921 ND2 ASN A 79 51.771 6.343 26.607 1.00 34.43 N ATOM 0 H ASN A 79 52.791 10.108 27.447 1.00 23.80 H new ATOM 0 HA ASN A 79 50.744 8.879 26.098 1.00 25.94 H new ATOM 0 HB2 ASN A 79 51.300 8.565 28.900 1.00 27.64 H new ATOM 0 HB3 ASN A 79 50.161 7.780 28.179 1.00 27.64 H new ATOM 0 HD21 ASN A 79 52.342 5.750 26.360 1.00 34.43 H new ATOM 0 HD22 ASN A 79 51.024 6.421 26.189 1.00 34.43 H new ATOM 928 N GLU A 80 50.210 11.475 27.142 1.00 20.70 N ATOM 929 CA GLU A 80 49.216 12.495 27.557 1.00 18.56 C ATOM 930 C GLU A 80 48.153 12.841 26.560 1.00 17.84 C ATOM 931 O GLU A 80 48.344 12.668 25.376 1.00 15.49 O ATOM 932 CB GLU A 80 49.885 13.821 27.867 1.00 18.46 C ATOM 933 CG GLU A 80 51.067 13.738 28.892 1.00 20.33 C ATOM 934 CD GLU A 80 52.481 13.442 28.306 1.00 18.29 C ATOM 935 OE1 GLU A 80 52.629 12.939 27.207 1.00 16.89 O ATOM 936 OE2 GLU A 80 53.382 13.759 29.050 1.00 15.73 O ATOM 0 H GLU A 80 50.922 11.775 26.764 1.00 20.70 H new ATOM 0 HA GLU A 80 48.802 12.064 28.321 1.00 18.56 H new ATOM 0 HB2 GLU A 80 50.218 14.202 27.039 1.00 18.46 H new ATOM 0 HB3 GLU A 80 49.216 14.433 28.213 1.00 18.46 H new ATOM 0 HG2 GLU A 80 51.109 14.578 29.375 1.00 20.33 H new ATOM 0 HG3 GLU A 80 50.857 13.048 29.541 1.00 20.33 H new ATOM 943 N GLN A 81 47.072 13.321 27.115 1.00 17.08 N ATOM 944 CA GLN A 81 45.894 13.773 26.354 1.00 19.34 C ATOM 945 C GLN A 81 45.565 15.077 27.110 1.00 19.27 C ATOM 946 O GLN A 81 45.357 15.041 28.312 1.00 15.33 O ATOM 947 CB GLN A 81 44.705 12.798 26.447 1.00 19.19 C ATOM 948 CG GLN A 81 45.039 11.534 25.658 1.00 20.32 C ATOM 949 CD GLN A 81 43.819 10.639 25.644 1.00 21.62 C ATOM 950 OE1 GLN A 81 42.748 11.031 25.203 1.00 21.74 O ATOM 951 NE2 GLN A 81 43.949 9.441 26.122 1.00 22.55 N ATOM 0 H GLN A 81 46.981 13.403 27.966 1.00 17.08 H new ATOM 0 HA GLN A 81 46.060 13.857 25.402 1.00 19.34 H new ATOM 0 HB2 GLN A 81 44.524 12.577 27.374 1.00 19.19 H new ATOM 0 HB3 GLN A 81 43.903 13.212 26.093 1.00 19.19 H new ATOM 0 HG2 GLN A 81 45.300 11.762 24.752 1.00 20.32 H new ATOM 0 HG3 GLN A 81 45.790 11.073 26.063 1.00 20.32 H new ATOM 0 HE21 GLN A 81 44.709 9.180 26.428 1.00 22.55 H new ATOM 0 HE22 GLN A 81 43.275 8.907 26.133 1.00 22.55 H new ATOM 960 N PHE A 82 45.541 16.169 26.396 1.00 16.25 N ATOM 961 CA PHE A 82 45.241 17.528 26.956 1.00 17.89 C ATOM 962 C PHE A 82 43.872 17.870 26.377 1.00 17.01 C ATOM 963 O PHE A 82 43.756 18.020 25.177 1.00 20.97 O ATOM 964 CB PHE A 82 46.333 18.514 26.467 1.00 17.86 C ATOM 965 CG PHE A 82 47.751 18.184 27.004 1.00 20.24 C ATOM 966 CD1 PHE A 82 48.835 18.793 26.421 1.00 20.89 C ATOM 967 CD2 PHE A 82 47.983 17.316 28.058 1.00 20.18 C ATOM 968 CE1 PHE A 82 50.098 18.541 26.879 1.00 20.72 C ATOM 969 CE2 PHE A 82 49.243 17.072 28.507 1.00 19.85 C ATOM 970 CZ PHE A 82 50.305 17.678 27.926 1.00 19.99 C ATOM 0 H PHE A 82 45.698 16.176 25.550 1.00 16.25 H new ATOM 0 HA PHE A 82 45.235 17.569 27.925 1.00 17.89 H new ATOM 0 HB2 PHE A 82 46.353 18.508 25.497 1.00 17.86 H new ATOM 0 HB3 PHE A 82 46.093 19.413 26.740 1.00 17.86 H new ATOM 0 HD1 PHE A 82 48.709 19.380 25.711 1.00 20.89 H new ATOM 0 HD2 PHE A 82 47.263 16.892 28.466 1.00 20.18 H new ATOM 0 HE1 PHE A 82 50.825 18.959 26.477 1.00 20.72 H new ATOM 0 HE2 PHE A 82 49.376 16.486 29.217 1.00 19.85 H new ATOM 0 HZ PHE A 82 51.167 17.511 28.233 1.00 19.99 H new ATOM 980 N ILE A 83 42.857 17.995 27.166 1.00 17.41 N ATOM 981 CA ILE A 83 41.525 18.311 26.611 1.00 15.92 C ATOM 982 C ILE A 83 40.924 19.438 27.393 1.00 16.29 C ATOM 983 O ILE A 83 41.034 19.436 28.604 1.00 17.44 O ATOM 984 CB ILE A 83 40.686 17.024 26.719 1.00 16.42 C ATOM 985 CG1 ILE A 83 41.365 15.830 25.891 1.00 18.29 C ATOM 986 CG2 ILE A 83 39.243 17.317 26.231 1.00 17.23 C ATOM 987 CD1 ILE A 83 40.738 14.483 26.227 1.00 19.72 C ATOM 0 H ILE A 83 42.886 17.908 28.021 1.00 17.41 H new ATOM 0 HA ILE A 83 41.567 18.595 25.685 1.00 15.92 H new ATOM 0 HB ILE A 83 40.647 16.736 27.645 1.00 16.42 H new ATOM 0 HG12 ILE A 83 41.273 16.002 24.941 1.00 18.29 H new ATOM 0 HG13 ILE A 83 42.315 15.802 26.084 1.00 18.29 H new ATOM 0 HG21 ILE A 83 38.709 16.510 26.296 1.00 17.23 H new ATOM 0 HG22 ILE A 83 38.849 18.011 26.783 1.00 17.23 H new ATOM 0 HG23 ILE A 83 39.267 17.614 25.308 1.00 17.23 H new ATOM 0 HD11 ILE A 83 41.171 13.786 25.710 1.00 19.72 H new ATOM 0 HD12 ILE A 83 40.850 14.300 27.173 1.00 19.72 H new ATOM 0 HD13 ILE A 83 39.792 14.504 26.012 1.00 19.72 H new ATOM 999 N SER A 84 40.308 20.349 26.707 1.00 15.66 N ATOM 1000 CA SER A 84 39.679 21.498 27.407 1.00 18.87 C ATOM 1001 C SER A 84 38.331 21.087 27.981 1.00 19.87 C ATOM 1002 O SER A 84 37.713 20.161 27.482 1.00 20.58 O ATOM 1003 CB SER A 84 39.435 22.643 26.435 1.00 22.43 C ATOM 1004 OG SER A 84 40.729 23.186 26.157 1.00 27.17 O ATOM 0 H SER A 84 40.226 20.350 25.851 1.00 15.66 H new ATOM 0 HA SER A 84 40.280 21.779 28.114 1.00 18.87 H new ATOM 0 HB2 SER A 84 39.006 22.328 25.624 1.00 22.43 H new ATOM 0 HB3 SER A 84 38.851 23.313 26.823 1.00 22.43 H new ATOM 0 HG SER A 84 40.655 23.827 25.619 1.00 27.17 H new ATOM 1010 N ALA A 85 37.914 21.801 28.995 1.00 21.39 N ATOM 1011 CA ALA A 85 36.603 21.518 29.669 1.00 21.51 C ATOM 1012 C ALA A 85 35.590 22.335 28.895 1.00 19.52 C ATOM 1013 O ALA A 85 35.972 23.399 28.453 1.00 19.45 O ATOM 1014 CB ALA A 85 36.578 22.022 31.129 1.00 21.34 C ATOM 0 H ALA A 85 38.352 22.460 29.331 1.00 21.39 H new ATOM 0 HA ALA A 85 36.433 20.563 29.683 1.00 21.51 H new ATOM 0 HB1 ALA A 85 35.717 21.820 31.527 1.00 21.34 H new ATOM 0 HB2 ALA A 85 37.278 21.582 31.635 1.00 21.34 H new ATOM 0 HB3 ALA A 85 36.723 22.981 31.143 1.00 21.34 H new ATOM 1020 N SER A 86 34.386 21.843 28.759 1.00 18.99 N ATOM 1021 CA SER A 86 33.304 22.566 28.024 1.00 20.17 C ATOM 1022 C SER A 86 32.391 23.219 29.067 1.00 18.94 C ATOM 1023 O SER A 86 31.716 24.196 28.766 1.00 17.93 O ATOM 1024 CB SER A 86 32.486 21.565 27.128 1.00 22.00 C ATOM 1025 OG SER A 86 32.216 20.384 27.881 1.00 23.17 O ATOM 0 H SER A 86 34.144 21.083 29.080 1.00 18.99 H new ATOM 0 HA SER A 86 33.684 23.240 27.439 1.00 20.17 H new ATOM 0 HB2 SER A 86 31.656 21.975 26.839 1.00 22.00 H new ATOM 0 HB3 SER A 86 32.988 21.345 26.327 1.00 22.00 H new ATOM 0 HG SER A 86 31.778 19.845 27.409 1.00 23.17 H new ATOM 1031 N LYS A 87 32.327 22.593 30.204 1.00 18.75 N ATOM 1032 CA LYS A 87 31.484 23.049 31.332 1.00 16.35 C ATOM 1033 C LYS A 87 31.990 22.490 32.665 1.00 17.70 C ATOM 1034 O LYS A 87 32.584 21.428 32.705 1.00 14.66 O ATOM 1035 CB ALYS A 87 29.973 22.622 31.116 0.53 17.73 C ATOM 1036 CB BLYS A 87 30.022 22.556 31.014 0.41 18.49 C ATOM 1037 CG ALYS A 87 29.547 21.142 31.143 0.53 18.87 C ATOM 1038 CG BLYS A 87 29.034 22.800 32.165 0.41 20.12 C ATOM 1039 CD ALYS A 87 28.033 21.065 30.702 0.53 19.46 C ATOM 1040 CD BLYS A 87 27.586 22.918 31.686 0.41 20.95 C ATOM 1041 CE ALYS A 87 27.099 22.078 31.490 0.53 20.41 C ATOM 1042 CE BLYS A 87 27.107 21.840 30.712 0.41 22.14 C ATOM 1043 NZ ALYS A 87 25.719 22.079 30.910 0.53 22.93 N ATOM 1044 NZ BLYS A 87 25.642 22.047 30.447 0.41 23.85 N ATOM 0 H LYS A 87 32.770 21.875 30.372 1.00 18.75 H new ATOM 0 HA LYS A 87 31.539 24.017 31.361 1.00 16.35 H new ATOM 0 HB2ALYS A 87 29.451 23.079 31.794 0.53 18.49 H new ATOM 0 HB2BLYS A 87 29.701 23.009 30.219 0.41 18.49 H new ATOM 0 HB3ALYS A 87 29.698 22.980 30.257 0.53 18.49 H new ATOM 0 HB3BLYS A 87 30.044 21.608 30.811 0.41 18.49 H new ATOM 0 HG2ALYS A 87 30.102 20.618 30.545 0.53 20.12 H new ATOM 0 HG2BLYS A 87 29.101 22.073 32.803 0.41 20.12 H new ATOM 0 HG3ALYS A 87 29.661 20.772 32.032 0.53 20.12 H new ATOM 0 HG3BLYS A 87 29.283 23.612 32.633 0.41 20.12 H new ATOM 0 HD2ALYS A 87 27.969 21.248 29.752 0.53 20.95 H new ATOM 0 HD2BLYS A 87 27.006 22.906 32.463 0.41 20.95 H new ATOM 0 HD3ALYS A 87 27.708 20.161 30.839 0.53 20.95 H new ATOM 0 HD3BLYS A 87 27.475 23.783 31.262 0.41 20.95 H new ATOM 0 HE2ALYS A 87 27.062 21.830 32.427 0.53 22.14 H new ATOM 0 HE2BLYS A 87 27.609 21.889 29.883 0.41 22.14 H new ATOM 0 HE3ALYS A 87 27.474 22.972 31.448 0.53 22.14 H new ATOM 0 HE3BLYS A 87 27.260 20.958 31.085 0.41 22.14 H new ATOM 0 HZ1ALYS A 87 25.378 22.900 30.957 0.53 23.85 H new ATOM 0 HZ1BLYS A 87 25.467 21.874 29.592 0.41 23.85 H new ATOM 0 HZ2ALYS A 87 25.754 21.821 30.059 0.53 23.85 H new ATOM 0 HZ2BLYS A 87 25.166 21.500 30.963 0.41 23.85 H new ATOM 0 HZ3ALYS A 87 25.203 21.517 31.369 0.53 23.85 H new ATOM 0 HZ3BLYS A 87 25.423 22.890 30.629 0.41 23.85 H new ATOM 1069 N SER A 88 31.742 23.339 33.719 1.00 18.79 N ATOM 1070 CA SER A 88 32.048 22.993 35.149 1.00 18.70 C ATOM 1071 C SER A 88 30.746 23.160 35.928 1.00 18.28 C ATOM 1072 O SER A 88 30.039 24.121 35.650 1.00 18.50 O ATOM 1073 CB SER A 88 33.026 23.962 35.834 1.00 18.99 C ATOM 1074 OG SER A 88 34.222 23.871 35.091 1.00 22.88 O ATOM 0 H SER A 88 31.396 24.120 33.621 1.00 18.79 H new ATOM 0 HA SER A 88 32.434 22.103 35.145 1.00 18.70 H new ATOM 0 HB2 SER A 88 32.680 24.868 35.831 1.00 18.99 H new ATOM 0 HB3 SER A 88 33.170 23.716 36.761 1.00 18.99 H new ATOM 0 HG SER A 88 34.798 24.385 35.422 1.00 22.88 H new ATOM 1080 N ILE A 89 30.482 22.271 36.851 1.00 15.73 N ATOM 1081 CA ILE A 89 29.251 22.356 37.669 1.00 13.48 C ATOM 1082 C ILE A 89 29.713 22.167 39.102 1.00 14.22 C ATOM 1083 O ILE A 89 30.133 21.087 39.481 1.00 13.03 O ATOM 1084 CB ILE A 89 28.272 21.247 37.350 1.00 13.72 C ATOM 1085 CG1 ILE A 89 27.944 21.251 35.858 1.00 16.87 C ATOM 1086 CG2 ILE A 89 26.986 21.545 38.143 1.00 15.41 C ATOM 1087 CD1 ILE A 89 27.224 19.915 35.486 1.00 18.85 C ATOM 0 H ILE A 89 30.990 21.602 37.036 1.00 15.73 H new ATOM 0 HA ILE A 89 28.801 23.199 37.502 1.00 13.48 H new ATOM 0 HB ILE A 89 28.647 20.383 37.583 1.00 13.72 H new ATOM 0 HG12 ILE A 89 27.376 22.008 35.643 1.00 16.87 H new ATOM 0 HG13 ILE A 89 28.757 21.349 35.337 1.00 16.87 H new ATOM 0 HG21 ILE A 89 26.329 20.854 37.966 1.00 15.41 H new ATOM 0 HG22 ILE A 89 27.187 21.563 39.092 1.00 15.41 H new ATOM 0 HG23 ILE A 89 26.631 22.406 37.872 1.00 15.41 H new ATOM 0 HD11 ILE A 89 27.014 19.913 34.539 1.00 18.85 H new ATOM 0 HD12 ILE A 89 27.806 19.166 35.689 1.00 18.85 H new ATOM 0 HD13 ILE A 89 26.405 19.835 35.999 1.00 18.85 H new ATOM 1099 N VAL A 90 29.617 23.212 39.857 1.00 16.07 N ATOM 1100 CA VAL A 90 30.026 23.135 41.263 1.00 15.43 C ATOM 1101 C VAL A 90 28.735 22.644 41.956 1.00 16.24 C ATOM 1102 O VAL A 90 27.631 22.998 41.561 1.00 18.38 O ATOM 1103 CB VAL A 90 30.447 24.546 41.728 1.00 15.96 C ATOM 1104 CG1 VAL A 90 30.541 24.561 43.269 1.00 14.39 C ATOM 1105 CG2 VAL A 90 31.792 24.976 41.066 1.00 14.89 C ATOM 0 H VAL A 90 29.324 23.979 39.601 1.00 16.07 H new ATOM 0 HA VAL A 90 30.780 22.554 41.450 1.00 15.43 H new ATOM 0 HB VAL A 90 29.779 25.191 41.448 1.00 15.96 H new ATOM 0 HG11 VAL A 90 30.805 25.445 43.569 1.00 14.39 H new ATOM 0 HG12 VAL A 90 29.677 24.336 43.648 1.00 14.39 H new ATOM 0 HG13 VAL A 90 31.200 23.911 43.560 1.00 14.39 H new ATOM 0 HG21 VAL A 90 32.035 25.864 41.373 1.00 14.89 H new ATOM 0 HG22 VAL A 90 32.489 24.348 41.311 1.00 14.89 H new ATOM 0 HG23 VAL A 90 31.690 24.985 40.101 1.00 14.89 H new ATOM 1115 N HIS A 91 28.925 21.834 42.963 1.00 14.73 N ATOM 1116 CA HIS A 91 27.772 21.301 43.716 1.00 16.86 C ATOM 1117 C HIS A 91 26.866 22.506 44.126 1.00 15.38 C ATOM 1118 O HIS A 91 27.374 23.516 44.594 1.00 14.33 O ATOM 1119 CB HIS A 91 28.288 20.560 44.974 1.00 18.18 C ATOM 1120 CG HIS A 91 27.144 19.812 45.608 1.00 17.12 C ATOM 1121 ND1 HIS A 91 26.384 20.346 46.532 1.00 20.04 N ATOM 1122 CD2 HIS A 91 26.743 18.529 45.304 1.00 19.09 C ATOM 1123 CE1 HIS A 91 25.518 19.403 46.791 1.00 18.47 C ATOM 1124 NE2 HIS A 91 25.731 18.344 46.081 1.00 18.96 N ATOM 0 H HIS A 91 29.695 21.570 43.241 1.00 14.73 H new ATOM 0 HA HIS A 91 27.262 20.677 43.177 1.00 16.86 H new ATOM 0 HB2 HIS A 91 28.998 19.944 44.732 1.00 18.18 H new ATOM 0 HB3 HIS A 91 28.664 21.193 45.605 1.00 18.18 H new ATOM 0 HD2 HIS A 91 27.113 17.939 44.687 1.00 19.09 H new ATOM 0 HE1 HIS A 91 24.830 19.484 47.412 1.00 18.47 H new ATOM 0 HE2 HIS A 91 25.266 17.622 46.121 1.00 18.96 H new ATOM 1132 N PRO A 92 25.582 22.367 43.939 1.00 15.15 N ATOM 1133 CA PRO A 92 24.613 23.433 44.289 1.00 15.66 C ATOM 1134 C PRO A 92 24.681 23.912 45.732 1.00 15.55 C ATOM 1135 O PRO A 92 24.384 25.053 45.986 1.00 17.29 O ATOM 1136 CB PRO A 92 23.257 22.839 43.926 1.00 16.82 C ATOM 1137 CG PRO A 92 23.535 21.301 43.939 1.00 19.38 C ATOM 1138 CD PRO A 92 24.913 21.173 43.368 1.00 14.71 C ATOM 0 HA PRO A 92 24.810 24.249 43.802 1.00 15.66 H new ATOM 0 HB2 PRO A 92 22.573 23.086 44.568 1.00 16.82 H new ATOM 0 HB3 PRO A 92 22.953 23.142 43.056 1.00 16.82 H new ATOM 0 HG2 PRO A 92 23.489 20.940 44.838 1.00 19.38 H new ATOM 0 HG3 PRO A 92 22.884 20.818 43.406 1.00 19.38 H new ATOM 0 HD2 PRO A 92 25.345 20.348 43.639 1.00 14.71 H new ATOM 0 HD3 PRO A 92 24.909 21.186 42.398 1.00 14.71 H new ATOM 1146 N SER A 93 25.064 23.054 46.630 1.00 16.00 N ATOM 1147 CA SER A 93 25.154 23.438 48.080 1.00 16.67 C ATOM 1148 C SER A 93 26.604 23.602 48.642 1.00 15.84 C ATOM 1149 O SER A 93 26.850 23.551 49.836 1.00 16.79 O ATOM 1150 CB SER A 93 24.369 22.354 48.875 1.00 20.72 C ATOM 1151 OG SER A 93 23.094 22.225 48.230 1.00 24.60 O ATOM 0 H SER A 93 25.283 22.240 46.460 1.00 16.00 H new ATOM 0 HA SER A 93 24.774 24.325 48.179 1.00 16.67 H new ATOM 0 HB2 SER A 93 24.846 21.509 48.871 1.00 20.72 H new ATOM 0 HB3 SER A 93 24.262 22.615 49.803 1.00 20.72 H new ATOM 0 HG SER A 93 22.635 21.645 48.629 1.00 24.60 H new ATOM 1157 N TYR A 94 27.540 23.796 47.775 1.00 15.63 N ATOM 1158 CA TYR A 94 28.945 23.978 48.209 1.00 15.69 C ATOM 1159 C TYR A 94 29.001 25.307 49.010 1.00 18.58 C ATOM 1160 O TYR A 94 28.499 26.339 48.564 1.00 17.88 O ATOM 1161 CB TYR A 94 29.878 24.071 46.971 1.00 14.86 C ATOM 1162 CG TYR A 94 31.295 24.590 47.342 1.00 13.09 C ATOM 1163 CD1 TYR A 94 31.746 25.821 46.886 1.00 12.17 C ATOM 1164 CD2 TYR A 94 32.141 23.822 48.125 1.00 13.56 C ATOM 1165 CE1 TYR A 94 32.996 26.258 47.199 1.00 13.56 C ATOM 1166 CE2 TYR A 94 33.402 24.270 48.437 1.00 12.39 C ATOM 1167 CZ TYR A 94 33.825 25.487 47.967 1.00 15.66 C ATOM 1168 OH TYR A 94 35.090 25.957 48.225 1.00 19.02 O ATOM 0 H TYR A 94 27.416 23.831 46.925 1.00 15.63 H new ATOM 0 HA TYR A 94 29.239 23.229 48.751 1.00 15.69 H new ATOM 0 HB2 TYR A 94 29.953 23.196 46.558 1.00 14.86 H new ATOM 0 HB3 TYR A 94 29.481 24.662 46.312 1.00 14.86 H new ATOM 0 HD1 TYR A 94 31.189 26.351 46.362 1.00 12.17 H new ATOM 0 HD2 TYR A 94 31.853 22.996 48.442 1.00 13.56 H new ATOM 0 HE1 TYR A 94 33.288 27.085 46.889 1.00 13.56 H new ATOM 0 HE2 TYR A 94 33.966 23.751 48.964 1.00 12.39 H new ATOM 0 HH TYR A 94 35.119 26.782 48.072 1.00 19.02 H new ATOM 1178 N ASN A 95 29.622 25.204 50.166 1.00 18.13 N ATOM 1179 CA ASN A 95 29.817 26.332 51.126 1.00 18.32 C ATOM 1180 C ASN A 95 31.343 26.573 51.154 1.00 17.51 C ATOM 1181 O ASN A 95 32.069 25.794 51.741 1.00 16.57 O ATOM 1182 CB ASN A 95 29.300 25.880 52.464 1.00 18.78 C ATOM 1183 CG ASN A 95 29.332 27.056 53.410 1.00 21.02 C ATOM 1184 OD1 ASN A 95 30.265 27.840 53.438 1.00 23.60 O ATOM 1185 ND2 ASN A 95 28.344 27.231 54.222 1.00 23.63 N ATOM 0 H ASN A 95 29.960 24.464 50.444 1.00 18.13 H new ATOM 0 HA ASN A 95 29.351 27.148 50.885 1.00 18.32 H new ATOM 0 HB2 ASN A 95 28.396 25.540 52.379 1.00 18.78 H new ATOM 0 HB3 ASN A 95 29.844 25.155 52.809 1.00 18.78 H new ATOM 0 HD21 ASN A 95 28.351 27.893 54.771 1.00 23.63 H new ATOM 0 HD22 ASN A 95 27.679 26.686 54.214 1.00 23.63 H new ATOM 1192 N SER A 96 31.813 27.627 50.541 1.00 17.57 N ATOM 1193 CA SER A 96 33.270 27.919 50.505 1.00 21.25 C ATOM 1194 C SER A 96 33.876 28.314 51.845 1.00 20.55 C ATOM 1195 O SER A 96 35.086 28.342 51.983 1.00 20.66 O ATOM 1196 CB SER A 96 33.517 29.034 49.463 1.00 23.95 C ATOM 1197 OG SER A 96 32.898 30.222 49.973 1.00 23.58 O ATOM 0 H SER A 96 31.324 28.203 50.131 1.00 17.57 H new ATOM 0 HA SER A 96 33.715 27.092 50.262 1.00 21.25 H new ATOM 0 HB2 SER A 96 34.467 29.173 49.326 1.00 23.95 H new ATOM 0 HB3 SER A 96 33.139 28.791 48.603 1.00 23.95 H new ATOM 0 HG SER A 96 33.014 30.853 49.431 1.00 23.58 H new ATOM 1203 N ASN A 97 33.031 28.593 52.784 1.00 19.49 N ATOM 1204 CA ASN A 97 33.540 28.990 54.118 1.00 22.24 C ATOM 1205 C ASN A 97 33.790 27.751 54.928 1.00 22.67 C ATOM 1206 O ASN A 97 34.788 27.744 55.619 1.00 25.71 O ATOM 1207 CB ASN A 97 32.532 29.845 54.870 1.00 26.43 C ATOM 1208 CG ASN A 97 32.628 31.295 54.391 1.00 28.36 C ATOM 1209 OD1 ASN A 97 31.609 31.914 54.179 1.00 32.31 O ATOM 1210 ND2 ASN A 97 33.778 31.882 54.216 1.00 29.84 N ATOM 0 H ASN A 97 32.175 28.569 52.705 1.00 19.49 H new ATOM 0 HA ASN A 97 34.353 29.504 53.988 1.00 22.24 H new ATOM 0 HB2 ASN A 97 31.635 29.506 54.725 1.00 26.43 H new ATOM 0 HB3 ASN A 97 32.702 29.798 55.824 1.00 26.43 H new ATOM 0 HD21 ASN A 97 33.807 32.700 53.953 1.00 29.84 H new ATOM 0 HD22 ASN A 97 34.508 31.451 54.364 1.00 29.84 H new ATOM 1217 N THR A 98 32.929 26.762 54.854 1.00 18.06 N ATOM 1218 CA THR A 98 33.139 25.508 55.642 1.00 19.96 C ATOM 1219 C THR A 98 33.713 24.335 54.799 1.00 19.16 C ATOM 1220 O THR A 98 34.195 23.338 55.327 1.00 21.59 O ATOM 1221 CB THR A 98 31.798 25.105 56.233 1.00 20.44 C ATOM 1222 OG1 THR A 98 30.926 24.946 55.110 1.00 22.65 O ATOM 1223 CG2 THR A 98 31.204 26.230 57.096 1.00 21.93 C ATOM 0 H THR A 98 32.219 26.770 54.369 1.00 18.06 H new ATOM 0 HA THR A 98 33.799 25.691 56.329 1.00 19.96 H new ATOM 0 HB THR A 98 31.900 24.312 56.782 1.00 20.44 H new ATOM 0 HG1 THR A 98 30.163 24.720 55.378 1.00 22.65 H new ATOM 0 HG21 THR A 98 30.351 25.944 57.458 1.00 21.93 H new ATOM 0 HG22 THR A 98 31.812 26.435 57.824 1.00 21.93 H new ATOM 0 HG23 THR A 98 31.074 27.022 56.551 1.00 21.93 H new ATOM 1231 N LEU A 99 33.611 24.515 53.517 1.00 16.37 N ATOM 1232 CA LEU A 99 34.065 23.569 52.467 1.00 17.35 C ATOM 1233 C LEU A 99 33.137 22.368 52.461 1.00 17.39 C ATOM 1234 O LEU A 99 33.510 21.283 52.026 1.00 15.13 O ATOM 1235 CB LEU A 99 35.547 23.063 52.682 1.00 18.10 C ATOM 1236 CG LEU A 99 36.678 24.125 52.345 1.00 22.35 C ATOM 1237 CD1 LEU A 99 37.860 23.396 51.622 1.00 22.91 C ATOM 1238 CD2 LEU A 99 36.244 25.249 51.407 1.00 23.74 C ATOM 0 H LEU A 99 33.258 25.226 53.187 1.00 16.37 H new ATOM 0 HA LEU A 99 34.045 24.046 51.623 1.00 17.35 H new ATOM 0 HB2 LEU A 99 35.648 22.786 53.606 1.00 18.10 H new ATOM 0 HB3 LEU A 99 35.688 22.276 52.133 1.00 18.10 H new ATOM 0 HG LEU A 99 36.917 24.519 53.199 1.00 22.35 H new ATOM 0 HD11 LEU A 99 38.556 24.038 51.412 1.00 22.91 H new ATOM 0 HD12 LEU A 99 38.220 22.708 52.203 1.00 22.91 H new ATOM 0 HD13 LEU A 99 37.537 22.990 50.802 1.00 22.91 H new ATOM 0 HD21 LEU A 99 36.990 25.850 51.254 1.00 23.74 H new ATOM 0 HD22 LEU A 99 35.955 24.872 50.561 1.00 23.74 H new ATOM 0 HD23 LEU A 99 35.511 25.741 51.809 1.00 23.74 H new ATOM 1250 N ASN A 100 31.936 22.582 52.934 1.00 14.40 N ATOM 1251 CA ASN A 100 30.973 21.441 52.945 1.00 14.92 C ATOM 1252 C ASN A 100 30.496 21.289 51.470 1.00 12.62 C ATOM 1253 O ASN A 100 30.272 22.289 50.823 1.00 13.96 O ATOM 1254 CB ASN A 100 29.839 21.806 53.903 1.00 16.47 C ATOM 1255 CG ASN A 100 28.870 20.627 54.120 1.00 17.42 C ATOM 1256 OD1 ASN A 100 29.212 19.445 54.096 1.00 17.64 O ATOM 1257 ND2 ASN A 100 27.624 20.933 54.356 1.00 17.68 N ATOM 0 H ASN A 100 31.643 23.329 53.244 1.00 14.40 H new ATOM 0 HA ASN A 100 31.348 20.600 53.249 1.00 14.92 H new ATOM 0 HB2 ASN A 100 30.212 22.079 54.756 1.00 16.47 H new ATOM 0 HB3 ASN A 100 29.350 22.566 53.550 1.00 16.47 H new ATOM 0 HD21 ASN A 100 27.047 20.310 54.494 1.00 17.68 H new ATOM 0 HD22 ASN A 100 27.380 21.757 54.374 1.00 17.68 H new ATOM 1264 N ASN A 101 30.368 20.070 51.014 1.00 12.95 N ATOM 1265 CA ASN A 101 29.937 19.695 49.627 1.00 13.85 C ATOM 1266 C ASN A 101 30.981 20.202 48.657 1.00 12.44 C ATOM 1267 O ASN A 101 30.728 20.836 47.654 1.00 14.67 O ATOM 1268 CB ASN A 101 28.576 20.308 49.217 1.00 16.56 C ATOM 1269 CG ASN A 101 27.481 19.896 50.191 1.00 16.75 C ATOM 1270 OD1 ASN A 101 27.181 18.741 50.427 1.00 15.58 O ATOM 1271 ND2 ASN A 101 26.836 20.832 50.802 1.00 18.42 N ATOM 0 H ASN A 101 30.531 19.383 51.505 1.00 12.95 H new ATOM 0 HA ASN A 101 29.840 18.730 49.609 1.00 13.85 H new ATOM 0 HB2 ASN A 101 28.646 21.275 49.193 1.00 16.56 H new ATOM 0 HB3 ASN A 101 28.343 20.019 48.321 1.00 16.56 H new ATOM 0 HD21 ASN A 101 26.212 20.631 51.359 1.00 18.42 H new ATOM 0 HD22 ASN A 101 27.030 21.656 50.652 1.00 18.42 H new ATOM 1278 N ASP A 102 32.194 19.885 48.963 1.00 13.51 N ATOM 1279 CA ASP A 102 33.360 20.305 48.121 1.00 13.75 C ATOM 1280 C ASP A 102 33.624 19.293 47.001 1.00 14.26 C ATOM 1281 O ASP A 102 34.538 18.491 47.074 1.00 14.13 O ATOM 1282 CB ASP A 102 34.614 20.426 49.022 1.00 13.91 C ATOM 1283 CG ASP A 102 35.852 20.987 48.295 1.00 15.45 C ATOM 1284 OD1 ASP A 102 35.668 21.637 47.290 1.00 14.36 O ATOM 1285 OD2 ASP A 102 36.939 20.747 48.786 1.00 16.19 O ATOM 0 H ASP A 102 32.407 19.422 49.656 1.00 13.51 H new ATOM 0 HA ASP A 102 33.158 21.161 47.711 1.00 13.75 H new ATOM 0 HB2 ASP A 102 34.405 20.999 49.777 1.00 13.91 H new ATOM 0 HB3 ASP A 102 34.829 19.551 49.381 1.00 13.91 H new ATOM 1290 N ILE A 103 32.784 19.373 46.003 1.00 15.46 N ATOM 1291 CA ILE A 103 32.869 18.480 44.803 1.00 13.97 C ATOM 1292 C ILE A 103 32.358 19.285 43.584 1.00 14.99 C ATOM 1293 O ILE A 103 31.451 20.093 43.694 1.00 12.63 O ATOM 1294 CB ILE A 103 31.999 17.211 45.047 1.00 12.81 C ATOM 1295 CG1 ILE A 103 32.076 16.273 43.847 1.00 14.07 C ATOM 1296 CG2 ILE A 103 30.496 17.559 45.343 1.00 13.12 C ATOM 1297 CD1 ILE A 103 31.456 14.881 44.157 1.00 15.47 C ATOM 0 H ILE A 103 32.136 19.938 45.973 1.00 15.46 H new ATOM 0 HA ILE A 103 33.780 18.189 44.639 1.00 13.97 H new ATOM 0 HB ILE A 103 32.361 16.773 45.833 1.00 12.81 H new ATOM 0 HG12 ILE A 103 31.612 16.673 43.095 1.00 14.07 H new ATOM 0 HG13 ILE A 103 33.003 16.162 43.583 1.00 14.07 H new ATOM 0 HG21 ILE A 103 29.996 16.740 45.488 1.00 13.12 H new ATOM 0 HG22 ILE A 103 30.442 18.114 46.137 1.00 13.12 H new ATOM 0 HG23 ILE A 103 30.120 18.038 44.588 1.00 13.12 H new ATOM 0 HD11 ILE A 103 31.523 14.315 43.372 1.00 15.47 H new ATOM 0 HD12 ILE A 103 31.935 14.470 44.894 1.00 15.47 H new ATOM 0 HD13 ILE A 103 30.523 14.989 44.398 1.00 15.47 H new ATOM 1309 N MET A 104 32.930 19.011 42.435 1.00 13.88 N ATOM 1310 CA MET A 104 32.541 19.676 41.191 1.00 11.55 C ATOM 1311 C MET A 104 32.773 18.664 40.037 1.00 13.12 C ATOM 1312 O MET A 104 33.655 17.835 40.108 1.00 12.86 O ATOM 1313 CB AMET A 104 33.437 20.906 41.042 0.61 11.40 C ATOM 1314 CB BMET A 104 33.361 20.974 40.941 0.30 11.15 C ATOM 1315 CG AMET A 104 33.604 21.489 39.630 0.61 12.57 C ATOM 1316 CG BMET A 104 34.697 20.808 40.218 0.30 10.97 C ATOM 1317 SD AMET A 104 34.791 22.863 39.609 0.61 15.20 S ATOM 1318 SD BMET A 104 35.603 22.352 39.950 0.30 12.01 S ATOM 1319 CE AMET A 104 36.362 21.976 39.704 0.61 15.15 C ATOM 1320 CE BMET A 104 34.407 23.188 38.886 0.30 14.99 C ATOM 0 H MET A 104 33.560 18.432 42.342 1.00 13.88 H new ATOM 0 HA MET A 104 31.612 19.956 41.182 1.00 11.55 H new ATOM 0 HB2AMET A 104 33.086 21.605 41.616 0.61 11.15 H new ATOM 0 HB2BMET A 104 32.811 21.586 40.427 0.30 11.15 H new ATOM 0 HB3AMET A 104 34.318 20.679 41.379 0.61 11.15 H new ATOM 0 HB3BMET A 104 33.530 21.396 41.798 0.30 11.15 H new ATOM 0 HG2AMET A 104 33.904 20.792 39.025 0.61 10.97 H new ATOM 0 HG2BMET A 104 35.256 20.203 40.730 0.30 10.97 H new ATOM 0 HG3AMET A 104 32.745 21.798 39.303 0.61 10.97 H new ATOM 0 HG3BMET A 104 34.537 20.387 39.359 0.30 10.97 H new ATOM 0 HE1AMET A 104 36.902 22.350 40.418 0.61 14.99 H new ATOM 0 HE1BMET A 104 34.877 23.747 38.248 0.30 14.99 H new ATOM 0 HE2AMET A 104 36.194 21.038 39.884 0.61 14.99 H new ATOM 0 HE2BMET A 104 33.880 22.527 38.410 0.30 14.99 H new ATOM 0 HE3AMET A 104 36.835 22.064 38.862 0.61 14.99 H new ATOM 0 HE3BMET A 104 33.821 23.739 39.428 0.30 14.99 H new ATOM 1337 N LEU A 105 32.003 18.816 39.044 1.00 14.47 N ATOM 1338 CA LEU A 105 32.038 17.930 37.848 1.00 14.88 C ATOM 1339 C LEU A 105 32.519 18.830 36.685 1.00 15.45 C ATOM 1340 O LEU A 105 32.124 19.979 36.578 1.00 14.50 O ATOM 1341 CB LEU A 105 30.639 17.395 37.491 1.00 13.29 C ATOM 1342 CG LEU A 105 30.182 16.267 38.445 1.00 16.88 C ATOM 1343 CD1 LEU A 105 28.754 15.795 38.046 1.00 18.76 C ATOM 1344 CD2 LEU A 105 31.152 15.067 38.381 1.00 17.64 C ATOM 0 H LEU A 105 31.412 19.439 38.997 1.00 14.47 H new ATOM 0 HA LEU A 105 32.611 17.165 38.014 1.00 14.88 H new ATOM 0 HB2 LEU A 105 29.999 18.123 37.524 1.00 13.29 H new ATOM 0 HB3 LEU A 105 30.645 17.063 36.580 1.00 13.29 H new ATOM 0 HG LEU A 105 30.176 16.614 39.351 1.00 16.88 H new ATOM 0 HD11 LEU A 105 28.468 15.087 38.645 1.00 18.76 H new ATOM 0 HD12 LEU A 105 28.137 16.541 38.109 1.00 18.76 H new ATOM 0 HD13 LEU A 105 28.766 15.462 37.135 1.00 18.76 H new ATOM 0 HD21 LEU A 105 30.848 14.372 38.986 1.00 17.64 H new ATOM 0 HD22 LEU A 105 31.177 14.719 37.476 1.00 17.64 H new ATOM 0 HD23 LEU A 105 32.041 15.355 38.641 1.00 17.64 H new ATOM 1356 N ILE A 106 33.345 18.253 35.864 1.00 14.90 N ATOM 1357 CA ILE A 106 33.928 18.936 34.687 1.00 15.05 C ATOM 1358 C ILE A 106 33.639 18.095 33.444 1.00 15.87 C ATOM 1359 O ILE A 106 33.968 16.922 33.472 1.00 14.87 O ATOM 1360 CB ILE A 106 35.447 19.048 34.902 1.00 16.12 C ATOM 1361 CG1 ILE A 106 35.756 19.891 36.144 1.00 18.32 C ATOM 1362 CG2 ILE A 106 36.146 19.613 33.648 1.00 17.31 C ATOM 1363 CD1 ILE A 106 37.212 19.662 36.559 1.00 18.03 C ATOM 0 H ILE A 106 33.604 17.438 35.954 1.00 14.90 H new ATOM 0 HA ILE A 106 33.547 19.821 34.573 1.00 15.05 H new ATOM 0 HB ILE A 106 35.799 18.157 35.052 1.00 16.12 H new ATOM 0 HG12 ILE A 106 35.606 20.831 35.956 1.00 18.32 H new ATOM 0 HG13 ILE A 106 35.160 19.648 36.869 1.00 18.32 H new ATOM 0 HG21 ILE A 106 37.101 19.674 33.809 1.00 17.31 H new ATOM 0 HG22 ILE A 106 35.982 19.025 32.894 1.00 17.31 H new ATOM 0 HG23 ILE A 106 35.795 20.496 33.452 1.00 17.31 H new ATOM 0 HD11 ILE A 106 37.412 20.194 37.345 1.00 18.03 H new ATOM 0 HD12 ILE A 106 37.347 18.723 36.761 1.00 18.03 H new ATOM 0 HD13 ILE A 106 37.800 19.924 35.834 1.00 18.03 H new ATOM 1375 N LYS A 107 33.071 18.680 32.427 1.00 14.46 N ATOM 1376 CA LYS A 107 32.795 17.890 31.216 1.00 17.35 C ATOM 1377 C LYS A 107 33.941 18.301 30.235 1.00 19.26 C ATOM 1378 O LYS A 107 34.373 19.439 30.157 1.00 18.92 O ATOM 1379 CB LYS A 107 31.458 18.262 30.605 1.00 19.89 C ATOM 1380 CG LYS A 107 31.148 17.260 29.468 1.00 19.22 C ATOM 1381 CD LYS A 107 29.799 17.594 28.847 1.00 19.83 C ATOM 1382 CE LYS A 107 29.373 16.397 27.977 1.00 22.98 C ATOM 1383 NZ LYS A 107 28.096 16.701 27.291 1.00 24.55 N ATOM 0 H LYS A 107 32.836 19.507 32.395 1.00 14.46 H new ATOM 0 HA LYS A 107 32.760 16.939 31.405 1.00 17.35 H new ATOM 0 HB2 LYS A 107 30.760 18.236 31.278 1.00 19.89 H new ATOM 0 HB3 LYS A 107 31.485 19.168 30.259 1.00 19.89 H new ATOM 0 HG2 LYS A 107 31.843 17.298 28.793 1.00 19.22 H new ATOM 0 HG3 LYS A 107 31.139 16.355 29.816 1.00 19.22 H new ATOM 0 HD2 LYS A 107 29.139 17.764 29.538 1.00 19.83 H new ATOM 0 HD3 LYS A 107 29.862 18.399 28.310 1.00 19.83 H new ATOM 0 HE2 LYS A 107 30.062 16.201 27.323 1.00 22.98 H new ATOM 0 HE3 LYS A 107 29.272 15.606 28.529 1.00 22.98 H new ATOM 0 HZ1 LYS A 107 27.774 15.959 26.921 1.00 24.55 H new ATOM 0 HZ2 LYS A 107 27.509 17.016 27.881 1.00 24.55 H new ATOM 0 HZ3 LYS A 107 28.237 17.311 26.658 1.00 24.55 H new ATOM 1397 N LEU A 108 34.387 17.331 29.493 1.00 19.69 N ATOM 1398 CA LEU A 108 35.483 17.517 28.512 1.00 18.81 C ATOM 1399 C LEU A 108 34.855 17.906 27.187 1.00 20.10 C ATOM 1400 O LEU A 108 33.731 17.538 26.880 1.00 18.45 O ATOM 1401 CB LEU A 108 36.266 16.174 28.283 1.00 16.74 C ATOM 1402 CG LEU A 108 36.976 15.510 29.509 1.00 19.05 C ATOM 1403 CD1 LEU A 108 37.671 14.237 28.997 1.00 19.31 C ATOM 1404 CD2 LEU A 108 38.061 16.404 30.087 1.00 22.43 C ATOM 0 H LEU A 108 34.078 16.529 29.524 1.00 19.69 H new ATOM 0 HA LEU A 108 36.094 18.192 28.846 1.00 18.81 H new ATOM 0 HB2 LEU A 108 35.643 15.527 27.916 1.00 16.74 H new ATOM 0 HB3 LEU A 108 36.939 16.336 27.604 1.00 16.74 H new ATOM 0 HG LEU A 108 36.312 15.338 30.195 1.00 19.05 H new ATOM 0 HD11 LEU A 108 38.124 13.797 29.733 1.00 19.31 H new ATOM 0 HD12 LEU A 108 37.009 13.636 28.619 1.00 19.31 H new ATOM 0 HD13 LEU A 108 38.319 14.474 28.315 1.00 19.31 H new ATOM 0 HD21 LEU A 108 38.477 15.961 30.843 1.00 22.43 H new ATOM 0 HD22 LEU A 108 38.730 16.581 29.408 1.00 22.43 H new ATOM 0 HD23 LEU A 108 37.669 17.241 30.380 1.00 22.43 H new ATOM 1416 N LYS A 109 35.613 18.638 26.424 1.00 19.69 N ATOM 1417 CA LYS A 109 35.131 19.077 25.102 1.00 21.00 C ATOM 1418 C LYS A 109 35.052 17.841 24.175 1.00 23.10 C ATOM 1419 O LYS A 109 34.139 17.742 23.366 1.00 23.44 O ATOM 1420 CB LYS A 109 36.097 20.113 24.536 1.00 23.20 C ATOM 1421 CG LYS A 109 35.636 21.511 24.953 0.31 24.44 C ATOM 1422 CD LYS A 109 36.387 22.549 24.103 0.31 27.81 C ATOM 1423 CE LYS A 109 36.097 22.321 22.590 0.31 30.34 C ATOM 1424 NZ LYS A 109 36.501 23.518 21.805 0.31 30.65 N ATOM 0 H LYS A 109 36.406 18.901 26.629 1.00 19.69 H new ATOM 0 HA LYS A 109 34.252 19.481 25.173 1.00 21.00 H new ATOM 0 HB2 LYS A 109 36.995 19.946 24.862 1.00 23.20 H new ATOM 0 HB3 LYS A 109 36.130 20.046 23.569 1.00 23.20 H new ATOM 0 HG2 LYS A 109 34.679 21.601 24.826 0.31 24.44 H new ATOM 0 HG3 LYS A 109 35.813 21.656 25.896 0.31 24.44 H new ATOM 0 HD2 LYS A 109 36.115 23.444 24.359 0.31 27.81 H new ATOM 0 HD3 LYS A 109 37.340 22.484 24.269 0.31 27.81 H new ATOM 0 HE2 LYS A 109 36.580 21.541 22.275 0.31 30.34 H new ATOM 0 HE3 LYS A 109 35.153 22.143 22.458 0.31 30.34 H new ATOM 0 HZ1 LYS A 109 36.332 23.379 20.942 0.31 30.65 H new ATOM 0 HZ2 LYS A 109 36.042 24.227 22.086 0.31 30.65 H new ATOM 0 HZ3 LYS A 109 37.372 23.666 21.916 0.31 30.65 H new ATOM 1438 N SER A 110 35.995 16.953 24.300 1.00 23.46 N ATOM 1439 CA SER A 110 36.006 15.718 23.464 1.00 26.77 C ATOM 1440 C SER A 110 36.123 14.606 24.470 1.00 24.82 C ATOM 1441 O SER A 110 36.587 14.828 25.567 1.00 25.57 O ATOM 1442 CB ASER A 110 37.239 15.655 22.573 0.80 28.15 C ATOM 1443 CB BSER A 110 37.222 15.687 22.514 0.39 26.81 C ATOM 1444 OG ASER A 110 37.168 16.821 21.762 0.80 32.91 O ATOM 1445 OG BSER A 110 37.040 14.507 21.728 0.39 26.94 O ATOM 0 H SER A 110 36.650 17.018 24.853 1.00 23.46 H new ATOM 0 HA SER A 110 35.224 15.676 22.892 1.00 26.77 H new ATOM 0 HB2ASER A 110 38.053 15.643 23.100 0.80 26.81 H new ATOM 0 HB2BSER A 110 37.254 16.480 21.956 0.39 26.81 H new ATOM 0 HB3ASER A 110 37.240 14.850 22.031 0.80 26.81 H new ATOM 0 HB3BSER A 110 38.055 15.655 23.009 0.39 26.81 H new ATOM 0 HG ASER A 110 37.829 16.843 21.245 0.80 26.94 H new ATOM 0 HG BSER A 110 37.675 14.432 21.183 0.39 26.94 H new ATOM 1454 N ALA A 111 35.718 13.453 24.054 1.00 23.18 N ATOM 1455 CA ALA A 111 35.796 12.299 24.960 1.00 23.20 C ATOM 1456 C ALA A 111 37.259 11.836 24.893 1.00 22.53 C ATOM 1457 O ALA A 111 37.889 11.876 23.857 1.00 24.00 O ATOM 1458 CB ALA A 111 34.887 11.164 24.465 1.00 23.23 C ATOM 0 H ALA A 111 35.397 13.292 23.273 1.00 23.18 H new ATOM 0 HA ALA A 111 35.515 12.532 25.859 1.00 23.20 H new ATOM 0 HB1 ALA A 111 34.950 10.411 25.073 1.00 23.23 H new ATOM 0 HB2 ALA A 111 33.969 11.476 24.431 1.00 23.23 H new ATOM 0 HB3 ALA A 111 35.168 10.888 23.578 1.00 23.23 H new ATOM 1464 N ALA A 112 37.742 11.399 26.006 1.00 23.75 N ATOM 1465 CA ALA A 112 39.130 10.906 26.137 1.00 22.67 C ATOM 1466 C ALA A 112 39.176 9.519 25.489 1.00 23.96 C ATOM 1467 O ALA A 112 38.152 8.861 25.373 1.00 21.33 O ATOM 1468 CB ALA A 112 39.480 10.765 27.637 1.00 20.98 C ATOM 0 H ALA A 112 37.291 11.367 26.737 1.00 23.75 H new ATOM 0 HA ALA A 112 39.757 11.515 25.716 1.00 22.67 H new ATOM 0 HB1 ALA A 112 40.390 10.442 27.728 1.00 20.98 H new ATOM 0 HB2 ALA A 112 39.399 11.629 28.071 1.00 20.98 H new ATOM 0 HB3 ALA A 112 38.871 10.136 28.054 1.00 20.98 H new ATOM 1474 N SER A 113 40.353 9.107 25.102 1.00 25.15 N ATOM 1475 CA SER A 113 40.528 7.750 24.467 1.00 28.27 C ATOM 1476 C SER A 113 41.050 6.962 25.680 1.00 25.54 C ATOM 1477 O SER A 113 42.108 7.269 26.206 1.00 25.52 O ATOM 1478 CB SER A 113 41.624 7.724 23.361 1.00 28.23 C ATOM 1479 OG SER A 113 41.188 8.623 22.350 1.00 34.81 O ATOM 0 H SER A 113 41.077 9.564 25.181 1.00 25.15 H new ATOM 0 HA SER A 113 39.722 7.428 24.033 1.00 28.27 H new ATOM 0 HB2 SER A 113 42.484 7.996 23.719 1.00 28.23 H new ATOM 0 HB3 SER A 113 41.735 6.829 23.004 1.00 28.23 H new ATOM 0 HG SER A 113 41.753 8.642 21.729 1.00 34.81 H new ATOM 1485 N LEU A 114 40.320 5.978 26.090 1.00 25.10 N ATOM 1486 CA LEU A 114 40.778 5.203 27.263 1.00 27.83 C ATOM 1487 C LEU A 114 41.636 4.068 26.818 1.00 29.76 C ATOM 1488 O LEU A 114 41.378 3.419 25.817 1.00 29.71 O ATOM 1489 CB LEU A 114 39.615 4.611 28.007 1.00 27.75 C ATOM 1490 CG LEU A 114 38.562 5.642 28.365 1.00 28.29 C ATOM 1491 CD1 LEU A 114 37.458 4.848 29.078 1.00 29.54 C ATOM 1492 CD2 LEU A 114 39.124 6.737 29.266 1.00 27.98 C ATOM 0 H LEU A 114 39.577 5.725 25.738 1.00 25.10 H new ATOM 0 HA LEU A 114 41.268 5.811 27.838 1.00 27.83 H new ATOM 0 HB2 LEU A 114 39.210 3.915 27.466 1.00 27.75 H new ATOM 0 HB3 LEU A 114 39.937 4.188 28.818 1.00 27.75 H new ATOM 0 HG LEU A 114 38.232 6.102 27.578 1.00 28.29 H new ATOM 0 HD11 LEU A 114 36.743 5.450 29.339 1.00 29.54 H new ATOM 0 HD12 LEU A 114 37.107 4.171 28.478 1.00 29.54 H new ATOM 0 HD13 LEU A 114 37.825 4.421 29.868 1.00 29.54 H new ATOM 0 HD21 LEU A 114 38.425 7.376 29.474 1.00 27.98 H new ATOM 0 HD22 LEU A 114 39.455 6.342 30.088 1.00 27.98 H new ATOM 0 HD23 LEU A 114 39.851 7.190 28.810 1.00 27.98 H new ATOM 1504 N ASN A 115 42.652 3.866 27.586 1.00 30.72 N ATOM 1505 CA ASN A 115 43.607 2.786 27.313 1.00 31.81 C ATOM 1506 C ASN A 115 44.205 2.387 28.649 1.00 31.75 C ATOM 1507 O ASN A 115 43.721 2.756 29.703 1.00 28.98 O ATOM 1508 CB ASN A 115 44.663 3.306 26.313 1.00 32.67 C ATOM 1509 CG ASN A 115 45.320 4.553 26.855 1.00 33.49 C ATOM 1510 OD1 ASN A 115 45.990 4.502 27.873 1.00 32.00 O ATOM 1511 ND2 ASN A 115 45.140 5.665 26.197 1.00 33.85 N ATOM 0 H ASN A 115 42.831 4.335 28.285 1.00 30.72 H new ATOM 0 HA ASN A 115 43.196 2.006 26.909 1.00 31.81 H new ATOM 0 HB2 ASN A 115 45.332 2.622 26.154 1.00 32.67 H new ATOM 0 HB3 ASN A 115 44.244 3.497 25.459 1.00 32.67 H new ATOM 0 HD21 ASN A 115 45.499 6.394 26.478 1.00 33.85 H new ATOM 0 HD22 ASN A 115 44.662 5.669 25.482 1.00 33.85 H new ATOM 1518 N SER A 116 45.238 1.625 28.574 1.00 33.46 N ATOM 1519 CA SER A 116 45.921 1.160 29.796 1.00 35.78 C ATOM 1520 C SER A 116 46.355 2.306 30.721 1.00 33.22 C ATOM 1521 O SER A 116 46.267 2.217 31.932 1.00 32.86 O ATOM 1522 CB SER A 116 47.180 0.375 29.407 1.00 36.78 C ATOM 1523 OG SER A 116 46.927 -0.179 28.114 1.00 42.23 O ATOM 0 H SER A 116 45.585 1.347 27.838 1.00 33.46 H new ATOM 0 HA SER A 116 45.281 0.611 30.275 1.00 35.78 H new ATOM 0 HB2 SER A 116 47.957 0.955 29.388 1.00 36.78 H new ATOM 0 HB3 SER A 116 47.364 -0.325 30.053 1.00 36.78 H new ATOM 0 HG SER A 116 47.597 -0.619 27.861 1.00 42.23 H new ATOM 1529 N ARG A 117 46.822 3.337 30.071 1.00 31.52 N ATOM 1530 CA ARG A 117 47.333 4.560 30.764 1.00 31.16 C ATOM 1531 C ARG A 117 46.307 5.631 31.165 1.00 30.47 C ATOM 1532 O ARG A 117 46.617 6.456 32.016 1.00 29.42 O ATOM 1533 CB ARG A 117 48.424 5.151 29.825 1.00 31.32 C ATOM 1534 CG ARG A 117 49.494 4.019 29.632 1.27 32.60 C ATOM 1535 CD ARG A 117 50.728 4.451 28.835 0.16 30.09 C ATOM 1536 NE ARG A 117 51.676 3.289 28.874 0.16 28.93 N ATOM 1537 CZ ARG A 117 52.857 3.351 29.441 0.16 27.94 C ATOM 1538 NH1 ARG A 117 53.284 4.442 30.022 0.16 28.99 N ATOM 1539 NH2 ARG A 117 53.616 2.291 29.380 0.16 25.61 N ATOM 0 H ARG A 117 46.865 3.378 29.213 1.00 31.52 H new ATOM 0 HA ARG A 117 47.665 4.281 31.632 1.00 31.16 H new ATOM 0 HB2 ARG A 117 48.042 5.416 28.974 1.00 31.32 H new ATOM 0 HB3 ARG A 117 48.825 5.944 30.215 1.00 31.32 H new ATOM 0 HG2 ARG A 117 49.779 3.705 30.504 1.27 32.60 H new ATOM 0 HG3 ARG A 117 49.077 3.267 29.182 1.27 32.60 H new ATOM 0 HD2 ARG A 117 50.490 4.674 27.921 0.16 30.09 H new ATOM 0 HD3 ARG A 117 51.133 5.242 29.224 0.16 30.09 H new ATOM 0 HE ARG A 117 51.434 2.549 28.508 0.16 28.93 H new ATOM 0 HH11 ARG A 117 52.786 5.143 30.039 0.16 28.99 H new ATOM 0 HH12 ARG A 117 54.062 4.458 30.387 0.16 28.99 H new ATOM 0 HH21 ARG A 117 53.336 1.584 28.978 0.16 25.61 H new ATOM 0 HH22 ARG A 117 54.396 2.299 29.742 0.16 25.61 H new ATOM 1553 N VAL A 118 45.164 5.580 30.539 1.00 27.74 N ATOM 1554 CA VAL A 118 44.059 6.545 30.815 1.00 23.04 C ATOM 1555 C VAL A 118 42.863 5.603 31.050 1.00 25.20 C ATOM 1556 O VAL A 118 42.423 4.934 30.122 1.00 26.11 O ATOM 1557 CB VAL A 118 43.846 7.446 29.566 1.00 21.25 C ATOM 1558 CG1 VAL A 118 42.673 8.432 29.775 1.00 20.41 C ATOM 1559 CG2 VAL A 118 45.172 8.196 29.225 1.00 20.24 C ATOM 0 H VAL A 118 44.977 4.996 29.936 1.00 27.74 H new ATOM 0 HA VAL A 118 44.213 7.149 31.559 1.00 23.04 H new ATOM 0 HB VAL A 118 43.608 6.883 28.813 1.00 21.25 H new ATOM 0 HG11 VAL A 118 42.565 8.979 28.981 1.00 20.41 H new ATOM 0 HG12 VAL A 118 41.857 7.934 29.938 1.00 20.41 H new ATOM 0 HG13 VAL A 118 42.861 9.002 30.537 1.00 20.41 H new ATOM 0 HG21 VAL A 118 45.035 8.757 28.446 1.00 20.24 H new ATOM 0 HG22 VAL A 118 45.435 8.748 29.978 1.00 20.24 H new ATOM 0 HG23 VAL A 118 45.871 7.550 29.039 1.00 20.24 H new ATOM 1569 N ALA A 119 42.368 5.546 32.248 1.00 22.27 N ATOM 1570 CA ALA A 119 41.212 4.656 32.524 1.00 20.52 C ATOM 1571 C ALA A 119 40.289 5.425 33.509 1.00 21.80 C ATOM 1572 O ALA A 119 40.746 6.365 34.133 1.00 20.71 O ATOM 1573 CB ALA A 119 41.816 3.380 33.083 1.00 19.62 C ATOM 0 H ALA A 119 42.658 5.993 32.923 1.00 22.27 H new ATOM 0 HA ALA A 119 40.666 4.418 31.758 1.00 20.52 H new ATOM 0 HB1 ALA A 119 41.108 2.749 33.287 1.00 19.62 H new ATOM 0 HB2 ALA A 119 42.416 2.992 32.427 1.00 19.62 H new ATOM 0 HB3 ALA A 119 42.310 3.583 33.893 1.00 19.62 H new ATOM 1579 N SER A 120 39.053 5.040 33.646 1.00 21.92 N ATOM 1580 CA SER A 120 38.138 5.751 34.579 1.00 22.71 C ATOM 1581 C SER A 120 38.076 4.954 35.900 1.00 22.38 C ATOM 1582 O SER A 120 38.426 3.782 35.945 1.00 23.10 O ATOM 1583 CB SER A 120 36.765 5.833 33.909 1.00 25.55 C ATOM 1584 OG SER A 120 36.451 4.500 33.496 1.00 28.16 O ATOM 0 H SER A 120 38.699 4.379 33.225 1.00 21.92 H new ATOM 0 HA SER A 120 38.446 6.649 34.779 1.00 22.71 H new ATOM 0 HB2 SER A 120 36.097 6.173 34.525 1.00 25.55 H new ATOM 0 HB3 SER A 120 36.784 6.437 33.150 1.00 25.55 H new ATOM 0 HG SER A 120 36.625 4.411 32.679 1.00 28.16 H new ATOM 1590 N ILE A 121 37.636 5.585 36.944 1.00 20.20 N ATOM 1591 CA ILE A 121 37.552 4.881 38.242 1.00 20.00 C ATOM 1592 C ILE A 121 36.056 4.762 38.460 1.00 19.04 C ATOM 1593 O ILE A 121 35.290 5.579 37.989 1.00 20.98 O ATOM 1594 CB ILE A 121 38.289 5.750 39.347 1.00 18.91 C ATOM 1595 CG1 ILE A 121 38.290 5.063 40.777 1.00 19.90 C ATOM 1596 CG2 ILE A 121 37.696 7.164 39.432 1.00 16.19 C ATOM 1597 CD1 ILE A 121 39.078 3.720 40.787 1.00 20.63 C ATOM 0 H ILE A 121 37.379 6.406 36.952 1.00 20.20 H new ATOM 0 HA ILE A 121 37.980 4.011 38.277 1.00 20.00 H new ATOM 0 HB ILE A 121 39.214 5.815 39.063 1.00 18.91 H new ATOM 0 HG12 ILE A 121 38.681 5.670 41.425 1.00 19.90 H new ATOM 0 HG13 ILE A 121 37.375 4.901 41.056 1.00 19.90 H new ATOM 0 HG21 ILE A 121 38.164 7.671 40.113 1.00 16.19 H new ATOM 0 HG22 ILE A 121 37.793 7.608 38.575 1.00 16.19 H new ATOM 0 HG23 ILE A 121 36.755 7.107 39.661 1.00 16.19 H new ATOM 0 HD11 ILE A 121 39.053 3.336 41.678 1.00 20.63 H new ATOM 0 HD12 ILE A 121 38.673 3.103 40.158 1.00 20.63 H new ATOM 0 HD13 ILE A 121 40.000 3.883 40.532 1.00 20.63 H new ATOM 1609 N SER A 122 35.687 3.756 39.189 1.00 22.74 N ATOM 1610 CA SER A 122 34.256 3.459 39.509 1.00 23.85 C ATOM 1611 C SER A 122 33.804 4.210 40.750 1.00 20.50 C ATOM 1612 O SER A 122 34.578 4.450 41.665 1.00 19.05 O ATOM 1613 CB SER A 122 34.116 1.926 39.738 1.00 23.92 C ATOM 1614 OG SER A 122 34.894 1.372 38.676 0.03 24.03 O ATOM 0 H SER A 122 36.242 3.197 39.534 1.00 22.74 H new ATOM 0 HA SER A 122 33.696 3.747 38.771 1.00 23.85 H new ATOM 0 HB2 SER A 122 34.454 1.660 40.608 1.00 23.92 H new ATOM 0 HB3 SER A 122 33.191 1.639 39.693 1.00 23.92 H new ATOM 0 HG SER A 122 34.876 0.534 38.723 0.03 24.03 H new ATOM 1620 N LEU A 123 32.543 4.518 40.709 1.00 20.49 N ATOM 1621 CA LEU A 123 31.926 5.250 41.823 1.00 21.17 C ATOM 1622 C LEU A 123 31.510 4.088 42.713 1.00 21.32 C ATOM 1623 O LEU A 123 31.319 2.984 42.217 1.00 20.91 O ATOM 1624 CB LEU A 123 30.663 6.069 41.355 1.00 20.15 C ATOM 1625 CG LEU A 123 31.015 7.371 40.525 1.00 19.95 C ATOM 1626 CD1 LEU A 123 29.701 8.116 40.274 1.00 21.81 C ATOM 1627 CD2 LEU A 123 31.918 8.346 41.334 1.00 21.07 C ATOM 0 H LEU A 123 32.012 4.324 40.061 1.00 20.49 H new ATOM 0 HA LEU A 123 32.505 5.907 42.239 1.00 21.17 H new ATOM 0 HB2 LEU A 123 30.098 5.495 40.815 1.00 20.15 H new ATOM 0 HB3 LEU A 123 30.146 6.323 42.135 1.00 20.15 H new ATOM 0 HG LEU A 123 31.475 7.103 39.714 1.00 19.95 H new ATOM 0 HD11 LEU A 123 29.878 8.923 39.766 1.00 21.81 H new ATOM 0 HD12 LEU A 123 29.096 7.546 39.774 1.00 21.81 H new ATOM 0 HD13 LEU A 123 29.295 8.352 41.123 1.00 21.81 H new ATOM 0 HD21 LEU A 123 32.112 9.129 40.796 1.00 21.07 H new ATOM 0 HD22 LEU A 123 31.458 8.617 42.144 1.00 21.07 H new ATOM 0 HD23 LEU A 123 32.748 7.901 41.567 1.00 21.07 H new ATOM 1639 N PRO A 124 31.411 4.392 43.990 1.00 21.35 N ATOM 1640 CA PRO A 124 31.094 3.386 45.046 1.00 22.71 C ATOM 1641 C PRO A 124 29.604 3.020 45.096 1.00 25.04 C ATOM 1642 O PRO A 124 28.778 3.860 44.771 1.00 23.05 O ATOM 1643 CB PRO A 124 31.559 4.044 46.369 1.00 21.36 C ATOM 1644 CG PRO A 124 31.277 5.547 46.114 1.00 22.60 C ATOM 1645 CD PRO A 124 31.620 5.766 44.582 1.00 21.48 C ATOM 0 HA PRO A 124 31.542 2.544 44.871 1.00 22.71 H new ATOM 0 HB2 PRO A 124 31.064 3.708 47.133 1.00 21.36 H new ATOM 0 HB3 PRO A 124 32.498 3.878 46.544 1.00 21.36 H new ATOM 0 HG2 PRO A 124 30.352 5.769 46.303 1.00 22.60 H new ATOM 0 HG3 PRO A 124 31.826 6.110 46.682 1.00 22.60 H new ATOM 0 HD2 PRO A 124 31.038 6.426 44.174 1.00 21.48 H new ATOM 0 HD3 PRO A 124 32.531 6.076 44.458 1.00 21.48 H new ATOM 1653 N THR A 125 29.334 1.802 45.502 1.00 27.80 N ATOM 1654 CA THR A 125 27.940 1.295 45.642 1.00 30.09 C ATOM 1655 C THR A 125 27.582 1.601 47.140 1.00 29.71 C ATOM 1656 O THR A 125 26.419 1.790 47.461 1.00 33.41 O ATOM 1657 CB THR A 125 27.915 -0.220 45.340 1.00 32.42 C ATOM 1658 OG1 THR A 125 29.211 -0.754 45.637 1.00 34.08 O ATOM 1659 CG2 THR A 125 27.712 -0.428 43.859 1.00 31.99 C ATOM 0 H THR A 125 29.938 1.226 45.710 1.00 27.80 H new ATOM 0 HA THR A 125 27.306 1.704 45.032 1.00 30.09 H new ATOM 0 HB THR A 125 27.211 -0.641 45.858 1.00 32.42 H new ATOM 0 HG1 THR A 125 29.217 -1.579 45.480 1.00 34.08 H new ATOM 0 HG21 THR A 125 27.696 -1.378 43.665 1.00 31.99 H new ATOM 0 HG22 THR A 125 26.871 -0.029 43.588 1.00 31.99 H new ATOM 0 HG23 THR A 125 28.439 -0.011 43.371 1.00 31.99 H new ATOM 1667 N SER A 127 28.558 1.631 48.026 1.00 26.39 N ATOM 1668 CA SER A 127 28.317 1.942 49.477 1.00 26.42 C ATOM 1669 C SER A 127 29.514 2.762 49.953 1.00 23.44 C ATOM 1670 O SER A 127 30.493 2.952 49.248 1.00 20.93 O ATOM 1671 CB SER A 127 28.194 0.643 50.382 1.00 25.40 C ATOM 1672 OG SER A 127 29.281 -0.209 50.040 1.00 26.42 O ATOM 0 H SER A 127 29.382 1.477 47.832 1.00 26.39 H new ATOM 0 HA SER A 127 27.475 2.416 49.558 1.00 26.42 H new ATOM 0 HB2 SER A 127 28.224 0.877 51.323 1.00 25.40 H new ATOM 0 HB3 SER A 127 27.347 0.197 50.228 1.00 25.40 H new ATOM 0 HG SER A 127 29.246 -0.908 50.504 1.00 26.42 H new ATOM 1678 N CYS A 128 29.403 3.212 51.159 1.00 23.47 N ATOM 1679 CA CYS A 128 30.501 4.027 51.729 1.00 26.06 C ATOM 1680 C CYS A 128 31.529 3.049 52.327 1.00 29.19 C ATOM 1681 O CYS A 128 31.196 1.893 52.506 1.00 33.24 O ATOM 1682 CB CYS A 128 29.884 4.918 52.781 1.00 25.52 C ATOM 1683 SG CYS A 128 28.607 6.076 52.227 1.00 22.06 S ATOM 0 H CYS A 128 28.731 3.079 51.678 1.00 23.47 H new ATOM 0 HA CYS A 128 30.952 4.583 51.075 1.00 26.06 H new ATOM 0 HB2 CYS A 128 29.500 4.352 53.469 1.00 25.52 H new ATOM 0 HB3 CYS A 128 30.595 5.429 53.198 1.00 25.52 H new ATOM 1688 N ALA A 129 32.716 3.521 52.625 1.00 27.08 N ATOM 1689 CA ALA A 129 33.758 2.610 53.197 1.00 24.57 C ATOM 1690 C ALA A 129 33.839 2.831 54.704 1.00 21.90 C ATOM 1691 O ALA A 129 33.558 3.908 55.170 1.00 22.07 O ATOM 1692 CB ALA A 129 35.128 2.921 52.517 1.00 25.04 C ATOM 0 H ALA A 129 32.961 4.338 52.518 1.00 27.08 H new ATOM 0 HA ALA A 129 33.529 1.682 53.031 1.00 24.57 H new ATOM 0 HB1 ALA A 129 35.810 2.336 52.881 1.00 25.04 H new ATOM 0 HB2 ALA A 129 35.055 2.776 51.561 1.00 25.04 H new ATOM 0 HB3 ALA A 129 35.371 3.845 52.686 1.00 25.04 H new ATOM 1698 N SER A 130 34.253 1.795 55.364 1.00 24.06 N ATOM 1699 CA SER A 130 34.424 1.708 56.852 1.00 24.27 C ATOM 1700 C SER A 130 35.729 2.269 57.341 1.00 21.92 C ATOM 1701 O SER A 130 36.724 2.200 56.644 1.00 25.64 O ATOM 1702 CB SER A 130 34.459 0.253 57.373 1.00 25.64 C ATOM 1703 OG SER A 130 33.831 -0.607 56.417 1.00 31.00 O ATOM 0 H SER A 130 34.464 1.062 54.968 1.00 24.06 H new ATOM 0 HA SER A 130 33.659 2.209 57.176 1.00 24.27 H new ATOM 0 HB2 SER A 130 35.376 -0.026 57.522 1.00 25.64 H new ATOM 0 HB3 SER A 130 34.002 0.193 58.227 1.00 25.64 H new ATOM 0 HG SER A 130 33.850 -1.399 56.697 1.00 31.00 H new ATOM 1709 N ALA A 132 35.684 2.782 58.537 1.00 20.81 N ATOM 1710 CA ALA A 132 36.912 3.364 59.160 1.00 21.26 C ATOM 1711 C ALA A 132 37.885 2.170 59.141 1.00 21.45 C ATOM 1712 O ALA A 132 37.443 1.045 59.310 1.00 23.66 O ATOM 1713 CB ALA A 132 36.637 3.809 60.665 1.00 20.15 C ATOM 0 H ALA A 132 34.977 2.818 59.026 1.00 20.81 H new ATOM 0 HA ALA A 132 37.236 4.154 58.700 1.00 21.26 H new ATOM 0 HB1 ALA A 132 37.447 4.182 61.045 1.00 20.15 H new ATOM 0 HB2 ALA A 132 35.935 4.478 60.682 1.00 20.15 H new ATOM 0 HB3 ALA A 132 36.361 3.038 61.185 1.00 20.15 H new ATOM 1719 N GLY A 133 39.148 2.379 58.933 1.00 21.03 N ATOM 1720 CA GLY A 133 40.063 1.206 58.931 1.00 22.26 C ATOM 1721 C GLY A 133 40.450 0.823 57.538 1.00 23.08 C ATOM 1722 O GLY A 133 41.552 0.347 57.349 1.00 26.85 O ATOM 0 H GLY A 133 39.514 3.144 58.794 1.00 21.03 H new ATOM 0 HA2 GLY A 133 40.859 1.413 59.445 1.00 22.26 H new ATOM 0 HA3 GLY A 133 39.631 0.455 59.367 1.00 22.26 H new ATOM 1726 N THR A 134 39.557 1.018 56.611 1.00 22.76 N ATOM 1727 CA THR A 134 39.866 0.669 55.200 1.00 23.24 C ATOM 1728 C THR A 134 41.071 1.524 54.718 1.00 23.02 C ATOM 1729 O THR A 134 41.152 2.721 54.941 1.00 21.15 O ATOM 1730 CB THR A 134 38.593 0.944 54.411 1.00 23.55 C ATOM 1731 OG1 THR A 134 37.648 0.018 54.956 1.00 23.68 O ATOM 1732 CG2 THR A 134 38.727 0.608 52.906 1.00 25.95 C ATOM 0 H THR A 134 38.772 1.344 56.745 1.00 22.76 H new ATOM 0 HA THR A 134 40.124 -0.259 55.084 1.00 23.24 H new ATOM 0 HB THR A 134 38.357 1.883 54.477 1.00 23.55 H new ATOM 0 HG1 THR A 134 37.183 0.403 55.540 1.00 23.68 H new ATOM 0 HG21 THR A 134 37.890 0.802 52.455 1.00 25.95 H new ATOM 0 HG22 THR A 134 39.435 1.144 52.516 1.00 25.95 H new ATOM 0 HG23 THR A 134 38.939 -0.333 52.802 1.00 25.95 H new ATOM 1740 N GLN A 135 41.971 0.850 54.074 1.00 23.87 N ATOM 1741 CA GLN A 135 43.207 1.504 53.523 1.00 27.09 C ATOM 1742 C GLN A 135 42.822 2.069 52.153 1.00 23.83 C ATOM 1743 O GLN A 135 42.084 1.440 51.417 1.00 25.46 O ATOM 1744 CB GLN A 135 44.376 0.461 53.295 1.00 27.86 C ATOM 1745 CG GLN A 135 44.994 -0.097 54.611 0.36 27.81 C ATOM 1746 CD GLN A 135 45.780 1.024 55.302 0.36 28.55 C ATOM 1747 OE1 GLN A 135 46.364 1.878 54.668 0.36 28.61 O ATOM 1748 NE2 GLN A 135 45.844 1.077 56.595 0.36 29.63 N ATOM 0 H GLN A 135 41.920 0.005 53.924 1.00 23.87 H new ATOM 0 HA GLN A 135 43.519 2.178 54.148 1.00 27.09 H new ATOM 0 HB2 GLN A 135 44.038 -0.280 52.768 1.00 27.86 H new ATOM 0 HB3 GLN A 135 45.076 0.883 52.773 1.00 27.86 H new ATOM 0 HG2 GLN A 135 44.295 -0.427 55.197 0.36 27.81 H new ATOM 0 HG3 GLN A 135 45.578 -0.846 54.416 0.36 27.81 H new ATOM 0 HE21 GLN A 135 45.440 0.485 57.070 0.36 29.63 H new ATOM 0 HE22 GLN A 135 46.291 1.704 56.978 0.36 29.63 H new ATOM 1757 N CYS A 136 43.334 3.212 51.849 1.00 21.74 N ATOM 1758 CA CYS A 136 43.031 3.867 50.543 1.00 21.92 C ATOM 1759 C CYS A 136 44.316 4.350 49.919 1.00 21.25 C ATOM 1760 O CYS A 136 45.339 4.402 50.580 1.00 21.37 O ATOM 1761 CB CYS A 136 42.134 5.070 50.788 1.00 22.06 C ATOM 1762 SG CYS A 136 40.616 4.704 51.682 1.00 22.43 S ATOM 0 H CYS A 136 43.864 3.656 52.360 1.00 21.74 H new ATOM 0 HA CYS A 136 42.592 3.232 49.955 1.00 21.92 H new ATOM 0 HB2 CYS A 136 42.635 5.736 51.284 1.00 22.06 H new ATOM 0 HB3 CYS A 136 41.904 5.467 49.933 1.00 22.06 H new ATOM 1767 N LEU A 137 44.227 4.706 48.670 1.00 18.87 N ATOM 1768 CA LEU A 137 45.426 5.224 47.961 1.00 18.49 C ATOM 1769 C LEU A 137 45.037 6.677 47.592 1.00 17.17 C ATOM 1770 O LEU A 137 43.985 6.899 47.002 1.00 16.12 O ATOM 1771 CB LEU A 137 45.712 4.454 46.661 1.00 17.57 C ATOM 1772 CG LEU A 137 46.973 5.057 45.872 1.00 19.11 C ATOM 1773 CD1 LEU A 137 48.316 4.908 46.652 1.00 20.48 C ATOM 1774 CD2 LEU A 137 47.120 4.302 44.572 1.00 21.40 C ATOM 0 H LEU A 137 43.509 4.668 48.198 1.00 18.87 H new ATOM 0 HA LEU A 137 46.220 5.143 48.513 1.00 18.49 H new ATOM 0 HB2 LEU A 137 45.877 3.521 46.868 1.00 17.57 H new ATOM 0 HB3 LEU A 137 44.929 4.484 46.089 1.00 17.57 H new ATOM 0 HG LEU A 137 46.805 6.004 45.744 1.00 19.11 H new ATOM 0 HD11 LEU A 137 49.038 5.288 46.128 1.00 20.48 H new ATOM 0 HD12 LEU A 137 48.251 5.375 47.500 1.00 20.48 H new ATOM 0 HD13 LEU A 137 48.494 3.968 46.813 1.00 20.48 H new ATOM 0 HD21 LEU A 137 47.878 4.652 44.078 1.00 21.40 H new ATOM 0 HD22 LEU A 137 47.262 3.361 44.758 1.00 21.40 H new ATOM 0 HD23 LEU A 137 46.314 4.408 44.043 1.00 21.40 H new ATOM 1786 N ILE A 138 45.881 7.596 47.956 1.00 16.96 N ATOM 1787 CA ILE A 138 45.674 9.044 47.668 1.00 17.38 C ATOM 1788 C ILE A 138 46.877 9.447 46.740 1.00 16.70 C ATOM 1789 O ILE A 138 47.993 8.998 46.937 1.00 15.96 O ATOM 1790 CB ILE A 138 45.701 9.798 49.011 1.00 18.45 C ATOM 1791 CG1 ILE A 138 44.732 9.102 49.978 1.00 17.66 C ATOM 1792 CG2 ILE A 138 45.236 11.253 48.774 1.00 19.47 C ATOM 1793 CD1 ILE A 138 44.885 9.671 51.390 1.00 17.68 C ATOM 0 H ILE A 138 46.608 7.427 48.384 1.00 16.96 H new ATOM 0 HA ILE A 138 44.831 9.250 47.234 1.00 17.38 H new ATOM 0 HB ILE A 138 46.596 9.799 49.384 1.00 18.45 H new ATOM 0 HG12 ILE A 138 43.819 9.222 49.672 1.00 17.66 H new ATOM 0 HG13 ILE A 138 44.905 8.148 49.987 1.00 17.66 H new ATOM 0 HG21 ILE A 138 45.249 11.738 49.614 1.00 19.47 H new ATOM 0 HG22 ILE A 138 45.832 11.685 48.143 1.00 19.47 H new ATOM 0 HG23 ILE A 138 44.334 11.251 48.417 1.00 19.47 H new ATOM 0 HD11 ILE A 138 44.267 9.222 51.989 1.00 17.68 H new ATOM 0 HD12 ILE A 138 45.794 9.531 51.699 1.00 17.68 H new ATOM 0 HD13 ILE A 138 44.691 10.621 51.379 1.00 17.68 H new ATOM 1805 N SER A 139 46.654 10.280 45.765 1.00 17.15 N ATOM 1806 CA SER A 139 47.773 10.669 44.866 1.00 16.57 C ATOM 1807 C SER A 139 47.684 12.099 44.367 1.00 15.50 C ATOM 1808 O SER A 139 46.616 12.697 44.400 1.00 18.52 O ATOM 1809 CB SER A 139 47.762 9.652 43.700 1.00 14.05 C ATOM 1810 OG SER A 139 46.445 9.605 43.107 1.00 14.90 O ATOM 0 H SER A 139 45.893 10.639 45.586 1.00 17.15 H new ATOM 0 HA SER A 139 48.610 10.645 45.355 1.00 16.57 H new ATOM 0 HB2 SER A 139 48.418 9.905 43.032 1.00 14.05 H new ATOM 0 HB3 SER A 139 48.012 8.773 44.024 1.00 14.05 H new ATOM 0 HG SER A 139 46.020 8.951 43.419 1.00 14.90 H new ATOM 1816 N GLY A 140 48.788 12.621 43.920 1.00 14.74 N ATOM 1817 CA GLY A 140 48.781 14.004 43.400 1.00 13.76 C ATOM 1818 C GLY A 140 50.150 14.574 43.269 1.00 13.71 C ATOM 1819 O GLY A 140 51.120 13.981 43.701 1.00 14.69 O ATOM 0 H GLY A 140 49.550 12.222 43.898 1.00 14.74 H new ATOM 0 HA2 GLY A 140 48.344 14.018 42.534 1.00 13.76 H new ATOM 0 HA3 GLY A 140 48.256 14.566 43.991 1.00 13.76 H new ATOM 1823 N TRP A 141 50.166 15.727 42.664 1.00 15.54 N ATOM 1824 CA TRP A 141 51.404 16.534 42.391 1.00 17.34 C ATOM 1825 C TRP A 141 51.482 17.772 43.339 1.00 18.86 C ATOM 1826 O TRP A 141 52.052 18.805 43.016 1.00 16.81 O ATOM 1827 CB TRP A 141 51.380 17.030 40.927 1.00 16.36 C ATOM 1828 CG TRP A 141 51.571 15.949 39.855 1.00 15.09 C ATOM 1829 CD1 TRP A 141 52.783 15.481 39.447 1.00 13.85 C ATOM 1830 CD2 TRP A 141 50.587 15.330 39.149 1.00 15.70 C ATOM 1831 NE1 TRP A 141 52.460 14.612 38.518 1.00 14.33 N ATOM 1832 CE2 TRP A 141 51.179 14.440 38.258 1.00 15.38 C ATOM 1833 CE3 TRP A 141 49.192 15.449 39.176 1.00 13.70 C ATOM 1834 CZ2 TRP A 141 50.399 13.676 37.407 1.00 14.60 C ATOM 1835 CZ3 TRP A 141 48.400 14.685 38.324 1.00 14.79 C ATOM 1836 CH2 TRP A 141 49.003 13.793 37.431 1.00 14.70 C ATOM 0 H TRP A 141 49.449 16.106 42.377 1.00 15.54 H new ATOM 0 HA TRP A 141 52.177 15.969 42.546 1.00 17.34 H new ATOM 0 HB2 TRP A 141 50.533 17.474 40.767 1.00 16.36 H new ATOM 0 HB3 TRP A 141 52.075 17.697 40.817 1.00 16.36 H new ATOM 0 HD1 TRP A 141 53.629 15.718 39.751 1.00 13.85 H new ATOM 0 HE1 TRP A 141 53.063 14.170 38.093 1.00 14.33 H new ATOM 0 HE3 TRP A 141 48.791 16.044 39.768 1.00 13.70 H new ATOM 0 HZ2 TRP A 141 50.804 13.082 36.817 1.00 14.60 H new ATOM 0 HZ3 TRP A 141 47.474 14.767 38.348 1.00 14.79 H new ATOM 0 HH2 TRP A 141 48.481 13.281 36.857 1.00 14.70 H new ATOM 1847 N GLY A 142 50.909 17.604 44.507 1.00 19.90 N ATOM 1848 CA GLY A 142 50.908 18.711 45.513 1.00 21.24 C ATOM 1849 C GLY A 142 52.204 18.738 46.315 1.00 20.06 C ATOM 1850 O GLY A 142 53.040 17.862 46.139 1.00 17.99 O ATOM 0 H GLY A 142 50.515 16.882 44.759 1.00 19.90 H new ATOM 0 HA2 GLY A 142 50.788 19.561 45.061 1.00 21.24 H new ATOM 0 HA3 GLY A 142 50.156 18.602 46.115 1.00 21.24 H new ATOM 1854 N ASN A 143 52.284 19.741 47.146 1.00 20.83 N ATOM 1855 CA ASN A 143 53.456 19.971 48.021 1.00 21.01 C ATOM 1856 C ASN A 143 53.862 18.709 48.750 1.00 22.91 C ATOM 1857 O ASN A 143 52.996 17.917 49.126 1.00 21.11 O ATOM 1858 CB ASN A 143 53.088 21.044 49.013 1.00 25.91 C ATOM 1859 CG ASN A 143 54.307 21.568 49.800 1.00 28.52 C ATOM 1860 OD1 ASN A 143 55.444 21.402 49.403 1.00 31.25 O ATOM 1861 ND2 ASN A 143 54.143 22.214 50.914 1.00 30.80 N ATOM 0 H ASN A 143 51.663 20.329 47.237 1.00 20.83 H new ATOM 0 HA ASN A 143 54.213 20.245 47.479 1.00 21.01 H new ATOM 0 HB2 ASN A 143 52.668 21.782 48.545 1.00 25.91 H new ATOM 0 HB3 ASN A 143 52.432 20.693 49.635 1.00 25.91 H new ATOM 0 HD21 ASN A 143 54.827 22.508 51.345 1.00 30.80 H new ATOM 0 HD22 ASN A 143 53.351 22.348 51.221 1.00 30.80 H new ATOM 1868 N THR A 144 55.146 18.550 48.942 1.00 25.57 N ATOM 1869 CA THR A 144 55.682 17.340 49.653 1.00 26.87 C ATOM 1870 C THR A 144 56.370 17.649 50.963 1.00 27.16 C ATOM 1871 O THR A 144 56.878 16.725 51.576 1.00 28.65 O ATOM 1872 CB THR A 144 56.700 16.597 48.736 1.00 27.30 C ATOM 1873 OG1 THR A 144 57.673 17.586 48.397 1.00 28.73 O ATOM 1874 CG2 THR A 144 56.054 16.175 47.396 1.00 26.98 C ATOM 0 H THR A 144 55.746 19.109 48.683 1.00 25.57 H new ATOM 0 HA THR A 144 54.908 16.791 49.854 1.00 26.87 H new ATOM 0 HB THR A 144 57.042 15.810 49.189 1.00 27.30 H new ATOM 0 HG1 THR A 144 58.258 17.245 47.899 1.00 28.73 H new ATOM 0 HG21 THR A 144 56.712 15.717 46.850 1.00 26.98 H new ATOM 0 HG22 THR A 144 55.307 15.581 47.570 1.00 26.98 H new ATOM 0 HG23 THR A 144 55.737 16.963 46.927 1.00 26.98 H new ATOM 1882 N LYS A 145 56.377 18.890 51.365 1.00 30.21 N ATOM 1883 CA LYS A 145 57.050 19.285 52.663 1.00 32.63 C ATOM 1884 C LYS A 145 56.017 19.825 53.674 1.00 34.67 C ATOM 1885 O LYS A 145 55.203 20.651 53.311 1.00 38.45 O ATOM 1886 CB LYS A 145 58.095 20.365 52.314 1.00 33.28 C ATOM 1887 CG LYS A 145 59.220 19.799 51.393 1.00 32.31 C ATOM 1888 CD LYS A 145 60.189 18.907 52.196 0.28 34.32 C ATOM 1889 CE LYS A 145 61.123 18.120 51.240 0.28 35.79 C ATOM 1890 NZ LYS A 145 60.400 16.936 50.690 0.28 36.47 N ATOM 0 H LYS A 145 56.014 19.541 50.936 1.00 30.21 H new ATOM 0 HA LYS A 145 57.474 18.518 53.079 1.00 32.63 H new ATOM 0 HB2 LYS A 145 57.657 21.109 51.871 1.00 33.28 H new ATOM 0 HB3 LYS A 145 58.488 20.712 53.130 1.00 33.28 H new ATOM 0 HG2 LYS A 145 58.825 19.286 50.671 1.00 32.31 H new ATOM 0 HG3 LYS A 145 59.710 20.531 50.986 1.00 32.31 H new ATOM 0 HD2 LYS A 145 60.719 19.455 52.796 0.28 34.32 H new ATOM 0 HD3 LYS A 145 59.685 18.288 52.747 0.28 34.32 H new ATOM 0 HE2 LYS A 145 61.418 18.695 50.516 0.28 35.79 H new ATOM 0 HE3 LYS A 145 61.918 17.832 51.715 0.28 35.79 H new ATOM 0 HZ1 LYS A 145 60.939 16.487 50.142 0.28 36.47 H new ATOM 0 HZ2 LYS A 145 60.148 16.405 51.358 0.28 36.47 H new ATOM 0 HZ3 LYS A 145 59.682 17.209 50.241 0.28 36.47 H new ATOM 1904 N SER A 146 56.040 19.388 54.896 0.44 35.94 N ATOM 1905 CA SER A 146 55.033 19.927 55.858 0.44 36.57 C ATOM 1906 C SER A 146 55.486 21.368 56.128 0.76 37.27 C ATOM 1907 O SER A 146 54.746 22.325 55.999 0.76 41.08 O ATOM 1908 CB SER A 146 55.054 19.087 57.169 0.44 36.47 C ATOM 1909 OG SER A 146 56.119 18.145 57.001 0.44 38.21 O ATOM 0 H SER A 146 56.590 18.807 55.211 0.44 35.94 H new ATOM 0 HA SER A 146 54.127 19.891 55.514 0.44 36.57 H new ATOM 0 HB2 SER A 146 55.205 19.651 57.943 0.44 36.47 H new ATOM 0 HB3 SER A 146 54.207 18.636 57.308 0.44 36.47 H new ATOM 0 HG SER A 146 56.177 17.662 57.686 0.44 38.21 H new ATOM 1915 N SER A 147 56.717 21.475 56.491 0.20 36.57 N ATOM 1916 CA SER A 147 57.276 22.803 56.782 1.00 37.45 C ATOM 1917 C SER A 147 58.101 23.111 55.548 1.00 37.63 C ATOM 1918 O SER A 147 59.204 22.616 55.425 0.20 37.57 O ATOM 1919 CB SER A 147 58.150 22.690 58.032 0.20 36.95 C ATOM 1920 OG SER A 147 57.352 21.912 58.926 0.20 36.96 O ATOM 0 H SER A 147 57.263 20.817 56.583 0.20 36.57 H new ATOM 0 HA SER A 147 56.619 23.495 56.956 1.00 37.45 H new ATOM 0 HB2 SER A 147 58.996 22.256 57.839 0.20 36.95 H new ATOM 0 HB3 SER A 147 58.356 23.562 58.404 0.20 36.95 H new ATOM 0 HG SER A 147 57.767 21.801 59.648 0.20 36.96 H new ATOM 1926 N GLY A 148 57.595 23.889 54.645 0.37 36.21 N ATOM 1927 CA GLY A 148 58.413 24.192 53.433 0.37 35.85 C ATOM 1928 C GLY A 148 57.600 24.066 52.162 0.37 34.07 C ATOM 1929 O GLY A 148 56.402 23.833 52.177 0.37 32.97 O ATOM 0 H GLY A 148 56.818 24.255 54.677 0.37 36.21 H new ATOM 0 HA2 GLY A 148 58.771 25.091 53.501 0.37 35.85 H new ATOM 0 HA3 GLY A 148 59.170 23.587 53.394 0.37 35.85 H new ATOM 1933 N THR A 149 58.275 24.242 51.075 0.65 32.08 N ATOM 1934 CA THR A 149 57.600 24.149 49.767 0.65 33.18 C ATOM 1935 C THR A 149 58.510 23.329 48.817 0.65 32.74 C ATOM 1936 O THR A 149 59.661 23.678 48.615 0.65 28.84 O ATOM 1937 CB THR A 149 57.372 25.634 49.360 0.65 34.15 C ATOM 1938 OG1 THR A 149 56.609 26.199 50.434 0.65 34.92 O ATOM 1939 CG2 THR A 149 56.447 25.804 48.163 0.65 35.20 C ATOM 0 H THR A 149 59.117 24.416 51.042 0.65 32.08 H new ATOM 0 HA THR A 149 56.748 23.686 49.755 0.65 33.18 H new ATOM 0 HB THR A 149 58.238 26.025 49.164 0.65 34.15 H new ATOM 0 HG1 THR A 149 56.453 27.008 50.272 0.65 34.92 H new ATOM 0 HG21 THR A 149 56.347 26.748 47.962 0.65 35.20 H new ATOM 0 HG22 THR A 149 56.825 25.349 47.394 0.65 35.20 H new ATOM 0 HG23 THR A 149 55.578 25.424 48.368 0.65 35.20 H new ATOM 1947 N SER A 150 58.002 22.261 48.269 1.00 32.37 N ATOM 1948 CA SER A 150 58.799 21.426 47.342 1.00 32.53 C ATOM 1949 C SER A 150 57.665 20.799 46.536 1.00 31.02 C ATOM 1950 O SER A 150 56.832 20.077 47.054 1.00 29.75 O ATOM 1951 CB SER A 150 59.580 20.427 48.179 1.00 35.96 C ATOM 1952 OG SER A 150 60.738 20.012 47.467 1.00 38.85 O ATOM 0 H SER A 150 57.200 21.982 48.405 1.00 32.37 H new ATOM 0 HA SER A 150 59.461 21.861 46.782 1.00 32.53 H new ATOM 0 HB2 SER A 150 59.835 20.829 49.024 1.00 35.96 H new ATOM 0 HB3 SER A 150 59.024 19.660 48.386 1.00 35.96 H new ATOM 0 HG SER A 150 61.170 19.461 47.931 1.00 38.85 H new ATOM 1958 N TYR A 151 57.653 21.109 45.287 1.00 28.52 N ATOM 1959 CA TYR A 151 56.597 20.565 44.408 1.00 28.97 C ATOM 1960 C TYR A 151 57.219 19.574 43.440 1.00 27.31 C ATOM 1961 O TYR A 151 58.136 19.932 42.714 1.00 26.85 O ATOM 1962 CB TYR A 151 55.953 21.705 43.626 1.00 29.03 C ATOM 1963 CG TYR A 151 54.915 22.415 44.497 1.00 26.88 C ATOM 1964 CD1 TYR A 151 53.617 21.957 44.461 1.00 27.99 C ATOM 1965 CD2 TYR A 151 55.233 23.481 45.293 1.00 25.55 C ATOM 1966 CE1 TYR A 151 52.630 22.552 45.209 1.00 28.87 C ATOM 1967 CE2 TYR A 151 54.235 24.074 46.041 1.00 28.47 C ATOM 1968 CZ TYR A 151 52.934 23.611 46.004 1.00 29.07 C ATOM 1969 OH TYR A 151 51.954 24.205 46.765 1.00 31.47 O ATOM 0 H TYR A 151 58.224 21.623 44.901 1.00 28.52 H new ATOM 0 HA TYR A 151 55.921 20.119 44.943 1.00 28.97 H new ATOM 0 HB2 TYR A 151 56.632 22.336 43.340 1.00 29.03 H new ATOM 0 HB3 TYR A 151 55.531 21.359 42.824 1.00 29.03 H new ATOM 0 HD1 TYR A 151 53.404 21.231 43.920 1.00 27.99 H new ATOM 0 HD2 TYR A 151 56.106 23.801 45.330 1.00 25.55 H new ATOM 0 HE1 TYR A 151 51.758 22.231 45.171 1.00 28.87 H new ATOM 0 HE2 TYR A 151 54.443 24.801 46.582 1.00 28.47 H new ATOM 0 HH TYR A 151 52.286 24.841 47.203 1.00 31.47 H new ATOM 1979 N PRO A 152 56.705 18.366 43.433 1.00 26.08 N ATOM 1980 CA PRO A 152 57.235 17.289 42.571 1.00 24.87 C ATOM 1981 C PRO A 152 56.723 17.414 41.134 1.00 21.12 C ATOM 1982 O PRO A 152 55.714 18.037 40.886 1.00 18.75 O ATOM 1983 CB PRO A 152 56.757 16.010 43.284 1.00 25.49 C ATOM 1984 CG PRO A 152 55.325 16.432 43.752 1.00 25.03 C ATOM 1985 CD PRO A 152 55.553 17.888 44.268 1.00 25.69 C ATOM 0 HA PRO A 152 58.199 17.308 42.468 1.00 24.87 H new ATOM 0 HB2 PRO A 152 56.736 15.245 42.687 1.00 25.49 H new ATOM 0 HB3 PRO A 152 57.330 15.772 44.030 1.00 25.49 H new ATOM 0 HG2 PRO A 152 54.684 16.403 43.024 1.00 25.03 H new ATOM 0 HG3 PRO A 152 54.987 15.850 44.451 1.00 25.03 H new ATOM 0 HD2 PRO A 152 54.766 18.441 44.143 1.00 25.69 H new ATOM 0 HD3 PRO A 152 55.764 17.905 45.215 1.00 25.69 H new ATOM 1993 N ASP A 153 57.440 16.795 40.255 1.00 20.74 N ATOM 1994 CA ASP A 153 57.054 16.818 38.838 1.00 23.08 C ATOM 1995 C ASP A 153 56.402 15.516 38.516 1.00 21.06 C ATOM 1996 O ASP A 153 55.644 15.510 37.565 1.00 18.85 O ATOM 1997 CB ASP A 153 58.279 17.020 37.935 1.00 27.38 C ATOM 1998 CG ASP A 153 58.710 18.491 38.068 1.00 32.29 C ATOM 1999 OD1 ASP A 153 57.824 19.331 38.046 1.00 36.24 O ATOM 2000 OD2 ASP A 153 59.905 18.718 38.187 1.00 40.94 O ATOM 0 H ASP A 153 58.155 16.351 40.431 1.00 20.74 H new ATOM 0 HA ASP A 153 56.445 17.557 38.681 1.00 23.08 H new ATOM 0 HB2 ASP A 153 59.000 16.427 38.200 1.00 27.38 H new ATOM 0 HB3 ASP A 153 58.062 16.809 37.013 1.00 27.38 H new ATOM 2005 N VAL A 154 56.691 14.472 39.263 1.00 19.63 N ATOM 2006 CA VAL A 154 56.044 13.146 38.974 1.00 19.06 C ATOM 2007 C VAL A 154 55.008 12.893 40.111 1.00 16.82 C ATOM 2008 O VAL A 154 55.091 13.440 41.201 1.00 19.29 O ATOM 2009 CB VAL A 154 57.153 12.010 38.906 1.00 19.10 C ATOM 2010 CG1 VAL A 154 58.158 12.264 37.705 1.00 17.16 C ATOM 2011 CG2 VAL A 154 57.925 11.934 40.231 1.00 20.34 C ATOM 0 H VAL A 154 57.237 14.478 39.927 1.00 19.63 H new ATOM 0 HA VAL A 154 55.591 13.141 38.116 1.00 19.06 H new ATOM 0 HB VAL A 154 56.704 11.164 38.754 1.00 19.10 H new ATOM 0 HG11 VAL A 154 58.824 11.559 37.685 1.00 17.16 H new ATOM 0 HG12 VAL A 154 57.668 12.269 36.868 1.00 17.16 H new ATOM 0 HG13 VAL A 154 58.598 13.120 37.827 1.00 17.16 H new ATOM 0 HG21 VAL A 154 58.597 11.237 40.174 1.00 20.34 H new ATOM 0 HG22 VAL A 154 58.356 12.786 40.404 1.00 20.34 H new ATOM 0 HG23 VAL A 154 57.310 11.731 40.953 1.00 20.34 H new ATOM 2021 N LEU A 155 54.068 12.050 39.793 1.00 16.54 N ATOM 2022 CA LEU A 155 52.952 11.657 40.706 1.00 16.18 C ATOM 2023 C LEU A 155 53.452 10.954 41.943 1.00 20.12 C ATOM 2024 O LEU A 155 54.262 10.035 41.855 1.00 18.04 O ATOM 2025 CB LEU A 155 52.042 10.749 39.940 1.00 18.28 C ATOM 2026 CG LEU A 155 50.537 10.689 40.317 1.00 22.20 C ATOM 2027 CD1 LEU A 155 50.002 12.097 40.676 1.00 21.38 C ATOM 2028 CD2 LEU A 155 49.640 9.879 39.407 1.00 20.32 C ATOM 0 H LEU A 155 54.032 11.662 39.026 1.00 16.54 H new ATOM 0 HA LEU A 155 52.489 12.455 41.004 1.00 16.18 H new ATOM 0 HB2 LEU A 155 52.099 11.000 39.005 1.00 18.28 H new ATOM 0 HB3 LEU A 155 52.397 9.850 40.014 1.00 18.28 H new ATOM 0 HG LEU A 155 50.496 10.148 41.121 1.00 22.20 H new ATOM 0 HD11 LEU A 155 49.062 12.037 40.908 1.00 21.38 H new ATOM 0 HD12 LEU A 155 50.499 12.449 41.431 1.00 21.38 H new ATOM 0 HD13 LEU A 155 50.109 12.688 39.914 1.00 21.38 H new ATOM 0 HD21 LEU A 155 48.729 9.912 39.737 1.00 20.32 H new ATOM 0 HD22 LEU A 155 49.672 10.247 38.510 1.00 20.32 H new ATOM 0 HD23 LEU A 155 49.944 8.958 39.389 1.00 20.32 H new ATOM 2040 N LYS A 156 52.939 11.407 43.035 1.00 19.25 N ATOM 2041 CA LYS A 156 53.294 10.858 44.355 1.00 16.91 C ATOM 2042 C LYS A 156 52.020 10.203 44.877 1.00 18.11 C ATOM 2043 O LYS A 156 50.930 10.705 44.667 1.00 16.37 O ATOM 2044 CB LYS A 156 53.711 11.983 45.252 1.00 16.86 C ATOM 2045 CG LYS A 156 54.967 12.693 44.721 1.00 20.06 C ATOM 2046 CD LYS A 156 56.207 11.761 44.859 1.00 21.70 C ATOM 2047 CE LYS A 156 57.532 12.566 44.588 1.00 23.94 C ATOM 2048 NZ LYS A 156 58.728 11.805 45.081 0.76 24.55 N ATOM 0 H LYS A 156 52.366 12.048 43.063 1.00 19.25 H new ATOM 0 HA LYS A 156 54.025 10.222 44.314 1.00 16.91 H new ATOM 0 HB2 LYS A 156 52.985 12.622 45.330 1.00 16.86 H new ATOM 0 HB3 LYS A 156 53.884 11.641 46.143 1.00 16.86 H new ATOM 0 HG2 LYS A 156 54.840 12.938 43.791 1.00 20.06 H new ATOM 0 HG3 LYS A 156 55.115 13.515 45.214 1.00 20.06 H new ATOM 0 HD2 LYS A 156 56.232 11.376 45.749 1.00 21.70 H new ATOM 0 HD3 LYS A 156 56.136 11.024 44.233 1.00 21.70 H new ATOM 0 HE2 LYS A 156 57.622 12.738 43.638 1.00 23.94 H new ATOM 0 HE3 LYS A 156 57.488 13.428 45.030 1.00 23.94 H new ATOM 0 HZ1 LYS A 156 59.466 12.275 44.919 0.76 24.55 H new ATOM 0 HZ2 LYS A 156 58.651 11.666 45.957 0.76 24.55 H new ATOM 0 HZ3 LYS A 156 58.777 11.023 44.660 0.76 24.55 H new ATOM 2062 N CYS A 157 52.253 9.118 45.546 1.00 18.25 N ATOM 2063 CA CYS A 157 51.233 8.240 46.170 1.00 19.89 C ATOM 2064 C CYS A 157 51.386 8.108 47.670 1.00 19.54 C ATOM 2065 O CYS A 157 52.461 8.292 48.219 1.00 18.79 O ATOM 2066 CB CYS A 157 51.335 6.837 45.551 1.00 19.29 C ATOM 2067 SG CYS A 157 50.600 6.609 43.927 1.00 21.07 S ATOM 0 H CYS A 157 53.053 8.830 45.673 1.00 18.25 H new ATOM 0 HA CYS A 157 50.371 8.652 46.001 1.00 19.89 H new ATOM 0 HB2 CYS A 157 52.274 6.600 45.493 1.00 19.29 H new ATOM 0 HB3 CYS A 157 50.920 6.207 46.161 1.00 19.29 H new ATOM 2072 N LEU A 158 50.284 7.775 48.272 1.00 18.52 N ATOM 2073 CA LEU A 158 50.226 7.596 49.732 1.00 21.15 C ATOM 2074 C LEU A 158 49.098 6.643 50.131 1.00 19.83 C ATOM 2075 O LEU A 158 47.977 6.801 49.686 1.00 20.53 O ATOM 2076 CB LEU A 158 50.009 8.993 50.372 1.00 19.90 C ATOM 2077 CG LEU A 158 49.679 8.941 51.898 1.00 25.28 C ATOM 2078 CD1 LEU A 158 50.901 8.551 52.758 1.00 25.14 C ATOM 2079 CD2 LEU A 158 49.139 10.329 52.325 1.00 27.45 C ATOM 0 H LEU A 158 49.537 7.641 47.867 1.00 18.52 H new ATOM 0 HA LEU A 158 51.054 7.202 50.047 1.00 21.15 H new ATOM 0 HB2 LEU A 158 50.807 9.528 50.240 1.00 19.90 H new ATOM 0 HB3 LEU A 158 49.286 9.444 49.908 1.00 19.90 H new ATOM 0 HG LEU A 158 49.013 8.252 52.045 1.00 25.28 H new ATOM 0 HD11 LEU A 158 50.646 8.533 53.694 1.00 25.14 H new ATOM 0 HD12 LEU A 158 51.217 7.673 52.492 1.00 25.14 H new ATOM 0 HD13 LEU A 158 51.609 9.202 52.629 1.00 25.14 H new ATOM 0 HD21 LEU A 158 48.928 10.317 53.272 1.00 27.45 H new ATOM 0 HD22 LEU A 158 49.813 11.005 52.153 1.00 27.45 H new ATOM 0 HD23 LEU A 158 48.338 10.535 51.818 1.00 27.45 H new ATOM 2091 N LYS A 159 49.397 5.685 50.949 1.00 19.79 N ATOM 2092 CA LYS A 159 48.352 4.755 51.393 1.00 21.07 C ATOM 2093 C LYS A 159 48.079 5.286 52.806 1.00 21.94 C ATOM 2094 O LYS A 159 49.003 5.565 53.555 1.00 21.17 O ATOM 2095 CB LYS A 159 48.863 3.353 51.497 1.00 24.83 C ATOM 2096 CG LYS A 159 49.060 2.728 50.106 1.00 25.94 C ATOM 2097 CD LYS A 159 49.785 1.396 50.376 0.51 26.25 C ATOM 2098 CE LYS A 159 49.684 0.545 49.145 0.51 26.42 C ATOM 2099 NZ LYS A 159 50.673 1.021 48.161 0.51 27.35 N ATOM 0 H LYS A 159 50.181 5.537 51.269 1.00 19.79 H new ATOM 0 HA LYS A 159 47.590 4.718 50.794 1.00 21.07 H new ATOM 0 HB2 LYS A 159 49.705 3.348 51.979 1.00 24.83 H new ATOM 0 HB3 LYS A 159 48.239 2.816 52.010 1.00 24.83 H new ATOM 0 HG2 LYS A 159 48.210 2.583 49.661 1.00 25.94 H new ATOM 0 HG3 LYS A 159 49.586 3.306 49.531 1.00 25.94 H new ATOM 0 HD2 LYS A 159 50.715 1.557 50.600 0.51 26.25 H new ATOM 0 HD3 LYS A 159 49.385 0.942 51.134 0.51 26.25 H new ATOM 0 HE2 LYS A 159 49.849 -0.385 49.365 0.51 26.42 H new ATOM 0 HE3 LYS A 159 48.789 0.595 48.774 0.51 26.42 H new ATOM 0 HZ1 LYS A 159 50.546 0.603 47.386 0.51 27.35 H new ATOM 0 HZ2 LYS A 159 50.577 1.898 48.044 0.51 27.35 H new ATOM 0 HZ3 LYS A 159 51.494 0.850 48.459 0.51 27.35 H new ATOM 2113 N ALA A 160 46.826 5.425 53.118 1.00 20.94 N ATOM 2114 CA ALA A 160 46.406 5.926 54.449 1.00 17.71 C ATOM 2115 C ALA A 160 45.064 5.236 54.735 1.00 19.30 C ATOM 2116 O ALA A 160 44.293 5.019 53.820 1.00 19.73 O ATOM 2117 CB ALA A 160 46.235 7.426 54.360 1.00 19.80 C ATOM 0 H ALA A 160 46.176 5.240 52.587 1.00 20.94 H new ATOM 0 HA ALA A 160 47.048 5.739 55.152 1.00 17.71 H new ATOM 0 HB1 ALA A 160 45.960 7.772 55.223 1.00 19.80 H new ATOM 0 HB2 ALA A 160 47.077 7.833 54.102 1.00 19.80 H new ATOM 0 HB3 ALA A 160 45.558 7.636 53.697 1.00 19.80 H new ATOM 2123 N PRO A 161 44.767 4.898 55.956 1.00 21.84 N ATOM 2124 CA PRO A 161 43.427 4.400 56.309 1.00 23.01 C ATOM 2125 C PRO A 161 42.408 5.517 56.671 1.00 21.54 C ATOM 2126 O PRO A 161 42.762 6.631 57.035 1.00 19.33 O ATOM 2127 CB PRO A 161 43.735 3.441 57.495 1.00 22.46 C ATOM 2128 CG PRO A 161 44.827 4.251 58.279 1.00 20.79 C ATOM 2129 CD PRO A 161 45.687 4.903 57.148 1.00 22.48 C ATOM 0 HA PRO A 161 42.981 3.966 55.565 1.00 23.01 H new ATOM 0 HB2 PRO A 161 42.950 3.268 58.037 1.00 22.46 H new ATOM 0 HB3 PRO A 161 44.066 2.581 57.192 1.00 22.46 H new ATOM 0 HG2 PRO A 161 44.428 4.922 58.855 1.00 20.79 H new ATOM 0 HG3 PRO A 161 45.362 3.673 58.845 1.00 20.79 H new ATOM 0 HD2 PRO A 161 45.962 5.803 57.383 1.00 22.48 H new ATOM 0 HD3 PRO A 161 46.495 4.395 56.977 1.00 22.48 H new ATOM 2137 N ILE A 162 41.156 5.149 56.563 1.00 19.42 N ATOM 2138 CA ILE A 162 40.070 6.098 56.905 1.00 19.48 C ATOM 2139 C ILE A 162 40.067 6.064 58.425 1.00 16.42 C ATOM 2140 O ILE A 162 40.160 4.998 58.999 1.00 19.02 O ATOM 2141 CB ILE A 162 38.743 5.583 56.362 1.00 18.87 C ATOM 2142 CG1 ILE A 162 38.829 5.704 54.849 1.00 19.47 C ATOM 2143 CG2 ILE A 162 37.566 6.427 56.893 1.00 18.55 C ATOM 2144 CD1 ILE A 162 37.550 5.164 54.203 1.00 22.43 C ATOM 0 H ILE A 162 40.894 4.373 56.300 1.00 19.42 H new ATOM 0 HA ILE A 162 40.195 6.987 56.538 1.00 19.48 H new ATOM 0 HB ILE A 162 38.587 4.667 56.642 1.00 18.87 H new ATOM 0 HG12 ILE A 162 38.959 6.632 54.599 1.00 19.47 H new ATOM 0 HG13 ILE A 162 39.598 5.212 54.521 1.00 19.47 H new ATOM 0 HG21 ILE A 162 36.733 6.082 56.535 1.00 18.55 H new ATOM 0 HG22 ILE A 162 37.545 6.381 57.862 1.00 18.55 H new ATOM 0 HG23 ILE A 162 37.679 7.350 56.616 1.00 18.55 H new ATOM 0 HD11 ILE A 162 37.615 5.246 53.239 1.00 22.43 H new ATOM 0 HD12 ILE A 162 37.436 4.231 54.441 1.00 22.43 H new ATOM 0 HD13 ILE A 162 36.787 5.673 54.520 1.00 22.43 H new ATOM 2156 N LEU A 163 39.953 7.196 59.026 1.00 18.52 N ATOM 2157 CA LEU A 163 39.939 7.282 60.511 1.00 20.58 C ATOM 2158 C LEU A 163 38.475 7.295 60.998 1.00 20.40 C ATOM 2159 O LEU A 163 37.546 7.592 60.269 1.00 19.72 O ATOM 2160 CB LEU A 163 40.603 8.567 60.965 1.00 21.21 C ATOM 2161 CG LEU A 163 42.037 8.670 60.438 1.00 23.93 C ATOM 2162 CD1 LEU A 163 42.598 10.028 60.939 1.00 26.44 C ATOM 2163 CD2 LEU A 163 42.881 7.555 61.046 1.00 22.98 C ATOM 0 H LEU A 163 39.880 7.952 58.623 1.00 18.52 H new ATOM 0 HA LEU A 163 40.417 6.521 60.876 1.00 20.58 H new ATOM 0 HB2 LEU A 163 40.087 9.327 60.654 1.00 21.21 H new ATOM 0 HB3 LEU A 163 40.609 8.605 61.934 1.00 21.21 H new ATOM 0 HG LEU A 163 42.057 8.601 59.471 1.00 23.93 H new ATOM 0 HD11 LEU A 163 43.510 10.137 60.627 1.00 26.44 H new ATOM 0 HD12 LEU A 163 42.051 10.751 60.595 1.00 26.44 H new ATOM 0 HD13 LEU A 163 42.584 10.046 61.909 1.00 26.44 H new ATOM 0 HD21 LEU A 163 43.790 7.619 60.713 1.00 22.98 H new ATOM 0 HD22 LEU A 163 42.884 7.641 62.012 1.00 22.98 H new ATOM 0 HD23 LEU A 163 42.507 6.695 60.800 1.00 22.98 H new ATOM 2175 N SER A 164 38.292 6.973 62.234 1.00 19.23 N ATOM 2176 CA SER A 164 36.949 6.946 62.826 1.00 21.23 C ATOM 2177 C SER A 164 36.471 8.396 62.842 1.00 20.02 C ATOM 2178 O SER A 164 37.275 9.312 62.915 1.00 19.25 O ATOM 2179 CB SER A 164 37.066 6.351 64.282 1.00 22.51 C ATOM 2180 OG SER A 164 38.003 7.162 65.010 1.00 24.36 O ATOM 0 H SER A 164 38.925 6.760 62.775 1.00 19.23 H new ATOM 0 HA SER A 164 36.320 6.396 62.333 1.00 21.23 H new ATOM 0 HB2 SER A 164 36.201 6.353 64.721 1.00 22.51 H new ATOM 0 HB3 SER A 164 37.366 5.429 64.250 1.00 22.51 H new ATOM 0 HG SER A 164 37.616 7.519 65.665 1.00 24.36 H new ATOM 2186 N ASP A 165 35.189 8.579 62.780 1.00 21.03 N ATOM 2187 CA ASP A 165 34.644 9.958 62.797 1.00 24.71 C ATOM 2188 C ASP A 165 34.923 10.595 64.102 1.00 21.07 C ATOM 2189 O ASP A 165 34.991 11.801 64.128 1.00 22.60 O ATOM 2190 CB ASP A 165 33.139 9.970 62.593 1.00 29.21 C ATOM 2191 CG ASP A 165 32.814 9.757 61.105 1.00 36.89 C ATOM 2192 OD1 ASP A 165 33.340 10.526 60.310 1.00 42.02 O ATOM 2193 OD2 ASP A 165 32.056 8.839 60.829 1.00 41.07 O ATOM 0 H ASP A 165 34.603 7.952 62.728 1.00 21.03 H new ATOM 0 HA ASP A 165 35.071 10.441 62.073 1.00 24.71 H new ATOM 0 HB2 ASP A 165 32.726 9.272 63.126 1.00 29.21 H new ATOM 0 HB3 ASP A 165 32.770 10.814 62.896 1.00 29.21 H new ATOM 2198 N SER A 166 35.079 9.816 65.130 1.00 20.56 N ATOM 2199 CA SER A 166 35.356 10.402 66.464 1.00 21.53 C ATOM 2200 C SER A 166 36.715 11.031 66.504 1.00 21.98 C ATOM 2201 O SER A 166 36.829 12.118 67.029 1.00 22.18 O ATOM 2202 CB SER A 166 35.262 9.298 67.580 1.00 23.32 C ATOM 2203 OG SER A 166 35.745 8.099 66.970 0.24 22.39 O ATOM 0 H SER A 166 35.035 8.957 65.108 1.00 20.56 H new ATOM 0 HA SER A 166 34.689 11.086 66.629 1.00 21.53 H new ATOM 0 HB2 SER A 166 35.797 9.536 68.354 1.00 23.32 H new ATOM 0 HB3 SER A 166 34.349 9.190 67.889 1.00 23.32 H new ATOM 0 HG SER A 166 35.718 7.471 67.527 0.24 22.39 H new ATOM 2209 N SER A 167 37.722 10.384 65.969 1.00 23.69 N ATOM 2210 CA SER A 167 39.047 11.071 66.044 1.00 23.32 C ATOM 2211 C SER A 167 39.051 12.256 65.046 1.00 17.60 C ATOM 2212 O SER A 167 39.735 13.241 65.248 1.00 18.50 O ATOM 2213 CB SER A 167 40.146 10.009 65.765 1.00 26.11 C ATOM 2214 OG SER A 167 39.920 9.501 64.465 1.00 34.70 O ATOM 0 H SER A 167 37.698 9.615 65.585 1.00 23.69 H new ATOM 0 HA SER A 167 39.224 11.450 66.919 1.00 23.32 H new ATOM 0 HB2 SER A 167 41.029 10.406 65.828 1.00 26.11 H new ATOM 0 HB3 SER A 167 40.108 9.296 66.422 1.00 26.11 H new ATOM 0 HG SER A 167 39.398 8.844 64.507 1.00 34.70 H new ATOM 2220 N CYS A 168 38.292 12.143 63.991 1.00 19.89 N ATOM 2221 CA CYS A 168 38.215 13.240 62.970 1.00 19.07 C ATOM 2222 C CYS A 168 37.583 14.487 63.653 1.00 17.30 C ATOM 2223 O CYS A 168 38.116 15.575 63.627 1.00 16.26 O ATOM 2224 CB CYS A 168 37.359 12.691 61.793 1.00 19.62 C ATOM 2225 SG CYS A 168 37.213 13.689 60.299 1.00 22.69 S ATOM 0 H CYS A 168 37.803 11.457 63.818 1.00 19.89 H new ATOM 0 HA CYS A 168 39.080 13.510 62.623 1.00 19.07 H new ATOM 0 HB2 CYS A 168 37.725 11.830 61.538 1.00 19.62 H new ATOM 0 HB3 CYS A 168 36.463 12.530 62.129 1.00 19.62 H new ATOM 2230 N LYS A 169 36.449 14.280 64.277 1.00 20.21 N ATOM 2231 CA LYS A 169 35.733 15.392 64.974 1.00 18.89 C ATOM 2232 C LYS A 169 36.484 15.943 66.153 1.00 19.61 C ATOM 2233 O LYS A 169 36.267 17.100 66.448 1.00 20.11 O ATOM 2234 CB LYS A 169 34.338 14.911 65.443 1.00 19.52 C ATOM 2235 CG LYS A 169 33.402 14.777 64.215 1.00 23.12 C ATOM 2236 CD LYS A 169 32.092 14.030 64.550 1.00 23.18 C ATOM 2237 CE LYS A 169 31.229 13.951 63.283 1.00 24.39 C ATOM 2238 NZ LYS A 169 30.109 13.013 63.551 1.00 26.04 N ATOM 0 H LYS A 169 36.056 13.516 64.324 1.00 20.21 H new ATOM 0 HA LYS A 169 35.652 16.109 64.326 1.00 18.89 H new ATOM 0 HB2 LYS A 169 34.415 14.058 65.899 1.00 19.52 H new ATOM 0 HB3 LYS A 169 33.965 15.540 66.080 1.00 19.52 H new ATOM 0 HG2 LYS A 169 33.190 15.661 63.876 1.00 23.12 H new ATOM 0 HG3 LYS A 169 33.868 14.306 63.507 1.00 23.12 H new ATOM 0 HD2 LYS A 169 32.288 13.139 64.879 1.00 23.18 H new ATOM 0 HD3 LYS A 169 31.612 14.493 65.255 1.00 23.18 H new ATOM 0 HE2 LYS A 169 30.888 14.829 63.049 1.00 24.39 H new ATOM 0 HE3 LYS A 169 31.758 13.642 62.531 1.00 24.39 H new ATOM 0 HZ1 LYS A 169 29.594 12.951 62.828 1.00 26.04 H new ATOM 0 HZ2 LYS A 169 30.436 12.210 63.752 1.00 26.04 H new ATOM 0 HZ3 LYS A 169 29.625 13.315 64.234 1.00 26.04 H new ATOM 2252 N SER A 170 37.312 15.180 66.814 1.00 22.55 N ATOM 2253 CA SER A 170 38.066 15.740 67.991 1.00 21.47 C ATOM 2254 C SER A 170 39.185 16.665 67.500 1.00 23.14 C ATOM 2255 O SER A 170 39.539 17.652 68.128 1.00 19.69 O ATOM 2256 CB ASER A 170 38.642 14.572 68.818 0.09 21.45 C ATOM 2257 CB BSER A 170 38.682 14.584 68.775 0.66 21.27 C ATOM 2258 OG ASER A 170 39.106 13.629 67.860 0.09 21.03 O ATOM 2259 OG BSER A 170 37.576 13.710 68.975 0.66 22.74 O ATOM 0 H SER A 170 37.473 14.355 66.633 1.00 22.55 H new ATOM 0 HA SER A 170 37.469 16.260 68.551 1.00 21.47 H new ATOM 0 HB2ASER A 170 39.364 14.872 69.392 0.09 21.27 H new ATOM 0 HB2BSER A 170 39.396 14.153 68.279 0.66 21.27 H new ATOM 0 HB3ASER A 170 37.965 14.183 69.393 0.09 21.27 H new ATOM 0 HB3BSER A 170 39.061 14.882 69.616 0.66 21.27 H new ATOM 0 HG ASER A 170 39.443 14.036 67.207 0.09 22.74 H new ATOM 0 HG BSER A 170 37.536 13.159 68.342 0.66 22.74 H new ATOM 2268 N ALA A 171 39.700 16.291 66.341 1.00 23.11 N ATOM 2269 CA ALA A 171 40.796 17.081 65.736 1.00 21.32 C ATOM 2270 C ALA A 171 40.263 18.379 65.200 1.00 21.77 C ATOM 2271 O ALA A 171 40.991 19.355 65.227 1.00 22.77 O ATOM 2272 CB ALA A 171 41.428 16.294 64.606 1.00 22.81 C ATOM 0 H ALA A 171 39.448 15.605 65.888 1.00 23.11 H new ATOM 0 HA ALA A 171 41.461 17.266 66.417 1.00 21.32 H new ATOM 0 HB1 ALA A 171 42.146 16.814 64.211 1.00 22.81 H new ATOM 0 HB2 ALA A 171 41.785 15.461 64.952 1.00 22.81 H new ATOM 0 HB3 ALA A 171 40.759 16.103 63.931 1.00 22.81 H new ATOM 2278 N TYR A 172 39.027 18.338 64.732 1.00 20.01 N ATOM 2279 CA TYR A 172 38.368 19.549 64.156 1.00 20.48 C ATOM 2280 C TYR A 172 36.947 19.840 64.729 1.00 21.34 C ATOM 2281 O TYR A 172 35.945 19.737 64.040 1.00 18.64 O ATOM 2282 CB TYR A 172 38.276 19.366 62.602 1.00 18.71 C ATOM 2283 CG TYR A 172 39.624 19.214 61.910 1.00 17.94 C ATOM 2284 CD1 TYR A 172 40.051 17.982 61.478 1.00 19.58 C ATOM 2285 CD2 TYR A 172 40.419 20.323 61.695 1.00 19.30 C ATOM 2286 CE1 TYR A 172 41.254 17.858 60.832 1.00 20.72 C ATOM 2287 CE2 TYR A 172 41.618 20.199 61.052 1.00 19.08 C ATOM 2288 CZ TYR A 172 42.045 18.961 60.612 1.00 19.52 C ATOM 2289 OH TYR A 172 43.236 18.822 59.928 1.00 20.74 O ATOM 0 H TYR A 172 38.537 17.631 64.729 1.00 20.01 H new ATOM 0 HA TYR A 172 38.913 20.313 64.402 1.00 20.48 H new ATOM 0 HB2 TYR A 172 37.735 18.584 62.410 1.00 18.71 H new ATOM 0 HB3 TYR A 172 37.814 20.130 62.223 1.00 18.71 H new ATOM 0 HD1 TYR A 172 39.523 17.230 61.624 1.00 19.58 H new ATOM 0 HD2 TYR A 172 40.136 21.159 61.990 1.00 19.30 H new ATOM 0 HE1 TYR A 172 41.537 17.022 60.540 1.00 20.72 H new ATOM 0 HE2 TYR A 172 42.148 20.950 60.910 1.00 19.08 H new ATOM 0 HH TYR A 172 43.239 18.090 59.516 1.00 20.74 H new ATOM 2299 N PRO A 173 36.841 20.191 65.975 1.00 23.06 N ATOM 2300 CA PRO A 173 35.508 20.340 66.598 1.00 23.12 C ATOM 2301 C PRO A 173 34.628 21.360 65.855 1.00 21.08 C ATOM 2302 O PRO A 173 35.065 22.430 65.473 1.00 21.95 O ATOM 2303 CB PRO A 173 35.831 20.727 68.065 1.00 23.81 C ATOM 2304 CG PRO A 173 37.257 20.118 68.290 1.00 24.72 C ATOM 2305 CD PRO A 173 37.953 20.458 66.938 1.00 27.00 C ATOM 0 HA PRO A 173 34.973 19.532 66.557 1.00 23.12 H new ATOM 0 HB2 PRO A 173 35.828 21.689 68.191 1.00 23.81 H new ATOM 0 HB3 PRO A 173 35.182 20.358 68.684 1.00 23.81 H new ATOM 0 HG2 PRO A 173 37.711 20.521 69.046 1.00 24.72 H new ATOM 0 HG3 PRO A 173 37.225 19.163 68.454 1.00 24.72 H new ATOM 0 HD2 PRO A 173 38.257 21.378 66.902 1.00 27.00 H new ATOM 0 HD3 PRO A 173 38.726 19.897 66.771 1.00 27.00 H new ATOM 2313 N GLY A 174 33.399 20.966 65.690 1.00 21.57 N ATOM 2314 CA GLY A 174 32.363 21.779 65.002 1.00 22.09 C ATOM 2315 C GLY A 174 32.646 22.053 63.540 1.00 19.87 C ATOM 2316 O GLY A 174 31.923 22.819 62.951 1.00 21.69 O ATOM 0 H GLY A 174 33.109 20.207 65.971 1.00 21.57 H new ATOM 0 HA2 GLY A 174 31.510 21.323 65.074 1.00 22.09 H new ATOM 0 HA3 GLY A 174 32.272 22.626 65.466 1.00 22.09 H new ATOM 2320 N GLN A 175 33.646 21.448 62.974 1.00 17.22 N ATOM 2321 CA GLN A 175 33.960 21.700 61.542 1.00 17.13 C ATOM 2322 C GLN A 175 33.687 20.525 60.608 1.00 19.46 C ATOM 2323 O GLN A 175 33.691 20.717 59.395 1.00 21.61 O ATOM 2324 CB GLN A 175 35.445 22.055 61.404 1.00 21.34 C ATOM 2325 CG GLN A 175 35.844 23.339 62.162 1.00 24.61 C ATOM 2326 CD GLN A 175 37.298 23.712 61.773 1.00 26.57 C ATOM 2327 OE1 GLN A 175 38.261 23.057 62.104 1.00 32.16 O ATOM 2328 NE2 GLN A 175 37.535 24.753 61.060 1.00 29.29 N ATOM 0 H GLN A 175 34.167 20.890 63.369 1.00 17.22 H new ATOM 0 HA GLN A 175 33.370 22.422 61.276 1.00 17.13 H new ATOM 0 HB2 GLN A 175 35.979 21.315 61.733 1.00 21.34 H new ATOM 0 HB3 GLN A 175 35.658 22.163 60.464 1.00 21.34 H new ATOM 0 HG2 GLN A 175 35.239 24.064 61.938 1.00 24.61 H new ATOM 0 HG3 GLN A 175 35.777 23.199 63.120 1.00 24.61 H new ATOM 0 HE21 GLN A 175 36.885 25.252 60.799 1.00 29.29 H new ATOM 0 HE22 GLN A 175 38.343 24.951 60.844 1.00 29.29 H new ATOM 2337 N ILE A 176 33.463 19.362 61.154 1.00 19.72 N ATOM 2338 CA ILE A 176 33.199 18.157 60.316 1.00 18.75 C ATOM 2339 C ILE A 176 31.701 17.870 60.105 1.00 19.77 C ATOM 2340 O ILE A 176 30.955 17.820 61.077 1.00 19.07 O ATOM 2341 CB ILE A 176 33.905 16.904 61.015 1.00 19.17 C ATOM 2342 CG1 ILE A 176 35.443 17.204 61.226 1.00 20.68 C ATOM 2343 CG2 ILE A 176 33.729 15.557 60.219 1.00 21.52 C ATOM 2344 CD1 ILE A 176 36.204 17.600 59.886 1.00 20.44 C ATOM 0 H ILE A 176 33.453 19.219 62.002 1.00 19.72 H new ATOM 0 HA ILE A 176 33.562 18.323 59.432 1.00 18.75 H new ATOM 0 HB ILE A 176 33.462 16.780 61.869 1.00 19.17 H new ATOM 0 HG12 ILE A 176 35.539 17.924 61.869 1.00 20.68 H new ATOM 0 HG13 ILE A 176 35.868 16.422 61.611 1.00 20.68 H new ATOM 0 HG21 ILE A 176 34.178 14.840 60.693 1.00 21.52 H new ATOM 0 HG22 ILE A 176 32.785 15.350 60.138 1.00 21.52 H new ATOM 0 HG23 ILE A 176 34.116 15.651 59.334 1.00 21.52 H new ATOM 0 HD11 ILE A 176 37.138 17.771 60.083 1.00 20.44 H new ATOM 0 HD12 ILE A 176 36.136 16.873 59.248 1.00 20.44 H new ATOM 0 HD13 ILE A 176 35.802 18.399 59.509 1.00 20.44 H new ATOM 2356 N THR A 177 31.307 17.677 58.857 1.00 16.80 N ATOM 2357 CA THR A 177 29.863 17.381 58.570 1.00 17.17 C ATOM 2358 C THR A 177 29.798 15.922 58.115 1.00 14.98 C ATOM 2359 O THR A 177 30.794 15.224 58.009 1.00 13.65 O ATOM 2360 CB THR A 177 29.309 18.297 57.450 1.00 14.26 C ATOM 2361 OG1 THR A 177 30.047 17.986 56.263 1.00 15.00 O ATOM 2362 CG2 THR A 177 29.570 19.740 57.818 1.00 14.57 C ATOM 0 H THR A 177 31.821 17.706 58.168 1.00 16.80 H new ATOM 0 HA THR A 177 29.326 17.539 59.362 1.00 17.17 H new ATOM 0 HB THR A 177 28.356 18.164 57.325 1.00 14.26 H new ATOM 0 HG1 THR A 177 29.761 18.451 55.625 1.00 15.00 H new ATOM 0 HG21 THR A 177 29.225 20.319 57.121 1.00 14.57 H new ATOM 0 HG22 THR A 177 29.128 19.945 58.656 1.00 14.57 H new ATOM 0 HG23 THR A 177 30.525 19.882 57.913 1.00 14.57 H new ATOM 2370 N SER A 178 28.614 15.486 57.843 1.00 15.37 N ATOM 2371 CA SER A 178 28.388 14.100 57.387 1.00 21.33 C ATOM 2372 C SER A 178 28.912 13.869 55.940 1.00 16.84 C ATOM 2373 O SER A 178 28.976 12.741 55.492 1.00 17.80 O ATOM 2374 CB SER A 178 26.889 13.901 57.525 1.00 25.66 C ATOM 2375 OG SER A 178 26.333 15.037 56.845 1.00 31.60 O ATOM 0 H SER A 178 27.900 15.961 57.908 1.00 15.37 H new ATOM 0 HA SER A 178 28.880 13.448 57.911 1.00 21.33 H new ATOM 0 HB2 SER A 178 26.601 13.067 57.121 1.00 25.66 H new ATOM 0 HB3 SER A 178 26.617 13.874 58.456 1.00 25.66 H new ATOM 0 HG SER A 178 25.494 14.999 56.876 1.00 31.60 H new ATOM 2381 N ASN A 179 29.278 14.935 55.266 1.00 15.78 N ATOM 2382 CA ASN A 179 29.798 14.846 53.864 1.00 17.61 C ATOM 2383 C ASN A 179 31.308 14.859 53.844 1.00 14.60 C ATOM 2384 O ASN A 179 31.918 15.095 52.820 1.00 18.10 O ATOM 2385 CB ASN A 179 29.339 16.042 53.024 1.00 16.29 C ATOM 2386 CG ASN A 179 27.825 16.145 52.967 1.00 17.85 C ATOM 2387 OD1 ASN A 179 27.101 15.193 52.761 1.00 17.02 O ATOM 2388 ND2 ASN A 179 27.296 17.302 53.146 1.00 21.88 N ATOM 0 H ASN A 179 29.243 15.735 55.580 1.00 15.78 H new ATOM 0 HA ASN A 179 29.453 14.017 53.498 1.00 17.61 H new ATOM 0 HB2 ASN A 179 29.705 16.859 53.398 1.00 16.29 H new ATOM 0 HB3 ASN A 179 29.691 15.959 52.124 1.00 16.29 H new ATOM 0 HD21 ASN A 179 26.441 17.393 53.119 1.00 21.88 H new ATOM 0 HD22 ASN A 179 27.797 17.986 53.293 1.00 21.88 H new ATOM 2395 N MET A 180 31.898 14.616 54.958 1.00 14.23 N ATOM 2396 CA MET A 180 33.378 14.601 55.090 1.00 14.98 C ATOM 2397 C MET A 180 33.886 13.437 55.940 1.00 14.19 C ATOM 2398 O MET A 180 33.148 12.928 56.760 1.00 17.11 O ATOM 2399 CB MET A 180 33.882 15.823 55.818 1.00 12.74 C ATOM 2400 CG MET A 180 33.452 17.229 55.316 1.00 15.87 C ATOM 2401 SD MET A 180 33.948 18.573 56.433 1.00 19.64 S ATOM 2402 CE MET A 180 33.288 19.982 55.537 1.00 18.72 C ATOM 0 H MET A 180 31.480 14.448 55.690 1.00 14.23 H new ATOM 0 HA MET A 180 33.695 14.545 54.175 1.00 14.98 H new ATOM 0 HB2 MET A 180 33.607 15.746 56.745 1.00 12.74 H new ATOM 0 HB3 MET A 180 34.851 15.792 55.807 1.00 12.74 H new ATOM 0 HG2 MET A 180 33.839 17.385 54.440 1.00 15.87 H new ATOM 0 HG3 MET A 180 32.488 17.246 55.207 1.00 15.87 H new ATOM 0 HE1 MET A 180 33.482 20.797 56.027 1.00 18.72 H new ATOM 0 HE2 MET A 180 33.697 20.028 54.659 1.00 18.72 H new ATOM 0 HE3 MET A 180 32.328 19.884 55.441 1.00 18.72 H new ATOM 2412 N PHE A 181 35.110 13.032 55.729 1.00 16.10 N ATOM 2413 CA PHE A 181 35.727 11.936 56.537 1.00 15.86 C ATOM 2414 C PHE A 181 37.212 12.291 56.529 1.00 16.97 C ATOM 2415 O PHE A 181 37.733 12.959 55.642 1.00 15.51 O ATOM 2416 CB PHE A 181 35.495 10.502 55.930 1.00 15.17 C ATOM 2417 CG PHE A 181 36.212 10.163 54.628 1.00 15.11 C ATOM 2418 CD1 PHE A 181 37.505 9.696 54.617 1.00 17.77 C ATOM 2419 CD2 PHE A 181 35.552 10.303 53.424 1.00 17.98 C ATOM 2420 CE1 PHE A 181 38.122 9.364 53.410 1.00 21.86 C ATOM 2421 CE2 PHE A 181 36.161 9.973 52.212 1.00 17.78 C ATOM 2422 CZ PHE A 181 37.455 9.502 52.205 1.00 19.16 C ATOM 0 H PHE A 181 35.627 13.362 55.126 1.00 16.10 H new ATOM 0 HA PHE A 181 35.335 11.884 57.423 1.00 15.86 H new ATOM 0 HB2 PHE A 181 35.760 9.849 56.596 1.00 15.17 H new ATOM 0 HB3 PHE A 181 34.543 10.389 55.785 1.00 15.17 H new ATOM 0 HD1 PHE A 181 37.970 9.601 55.417 1.00 17.77 H new ATOM 0 HD2 PHE A 181 34.680 10.625 53.420 1.00 17.98 H new ATOM 0 HE1 PHE A 181 38.996 9.045 53.415 1.00 21.86 H new ATOM 0 HE2 PHE A 181 35.695 10.071 51.413 1.00 17.78 H new ATOM 0 HZ PHE A 181 37.873 9.280 51.405 1.00 19.16 H new ATOM 2432 N CYS A 182 37.882 11.832 57.531 1.00 16.77 N ATOM 2433 CA CYS A 182 39.337 12.084 57.665 1.00 17.03 C ATOM 2434 C CYS A 182 40.044 10.791 57.362 1.00 16.93 C ATOM 2435 O CYS A 182 39.514 9.714 57.599 1.00 15.52 O ATOM 2436 CB CYS A 182 39.730 12.468 59.094 1.00 17.68 C ATOM 2437 SG CYS A 182 39.132 14.011 59.806 1.00 19.35 S ATOM 0 H CYS A 182 37.540 11.365 58.167 1.00 16.77 H new ATOM 0 HA CYS A 182 39.574 12.810 57.067 1.00 17.03 H new ATOM 0 HB2 CYS A 182 39.439 11.749 59.677 1.00 17.68 H new ATOM 0 HB3 CYS A 182 40.699 12.489 59.131 1.00 17.68 H new ATOM 2442 N ALA A 183 41.228 10.939 56.844 1.00 16.91 N ATOM 2443 CA ALA A 183 42.062 9.764 56.506 1.00 18.38 C ATOM 2444 C ALA A 183 43.460 10.215 56.792 1.00 18.09 C ATOM 2445 O ALA A 183 43.806 11.363 56.565 1.00 17.22 O ATOM 2446 CB ALA A 183 41.960 9.396 55.045 1.00 17.17 C ATOM 0 H ALA A 183 41.590 11.700 56.671 1.00 16.91 H new ATOM 0 HA ALA A 183 41.784 8.983 57.009 1.00 18.38 H new ATOM 0 HB1 ALA A 183 42.519 8.624 54.866 1.00 17.17 H new ATOM 0 HB2 ALA A 183 41.039 9.184 54.828 1.00 17.17 H new ATOM 0 HB3 ALA A 183 42.256 10.143 54.502 1.00 17.17 H new ATOM 2452 N GLY A 184A 44.255 9.320 57.262 1.00 20.34 N ATOM 2453 CA GLY A 184A 45.633 9.726 57.556 1.00 20.53 C ATOM 2454 C GLY A 184A 46.225 9.034 58.750 1.00 21.45 C ATOM 2455 O GLY A 184A 45.898 7.902 59.061 1.00 22.80 O ATOM 0 H GLY A 184A 44.056 8.499 57.422 1.00 20.34 H new ATOM 0 HA2 GLY A 184A 46.187 9.546 56.780 1.00 20.53 H new ATOM 0 HA3 GLY A 184A 45.655 10.684 57.704 1.00 20.53 H new ATOM 2459 N TYR A 184 47.098 9.776 59.363 1.00 26.12 N ATOM 2460 CA TYR A 184 47.874 9.356 60.566 1.00 28.90 C ATOM 2461 C TYR A 184 47.838 10.448 61.614 1.00 28.88 C ATOM 2462 O TYR A 184 48.261 11.548 61.309 1.00 29.73 O ATOM 2463 CB TYR A 184 49.326 9.090 60.069 1.00 32.23 C ATOM 2464 CG TYR A 184 49.268 7.969 59.032 1.00 33.08 C ATOM 2465 CD1 TYR A 184 49.169 8.284 57.706 1.00 32.45 C ATOM 2466 CD2 TYR A 184 49.289 6.643 59.421 1.00 33.56 C ATOM 2467 CE1 TYR A 184 49.089 7.282 56.772 1.00 35.11 C ATOM 2468 CE2 TYR A 184 49.211 5.645 58.493 1.00 32.91 C ATOM 2469 CZ TYR A 184 49.110 5.964 57.159 1.00 35.22 C ATOM 2470 OH TYR A 184 49.015 4.990 56.189 1.00 37.19 O ATOM 0 H TYR A 184 47.286 10.575 59.105 1.00 26.12 H new ATOM 0 HA TYR A 184 47.503 8.561 60.980 1.00 28.90 H new ATOM 0 HB2 TYR A 184 49.704 9.894 59.680 1.00 32.23 H new ATOM 0 HB3 TYR A 184 49.898 8.838 60.811 1.00 32.23 H new ATOM 0 HD1 TYR A 184 49.156 9.174 57.438 1.00 32.45 H new ATOM 0 HD2 TYR A 184 49.357 6.429 60.323 1.00 33.56 H new ATOM 0 HE1 TYR A 184 49.020 7.497 55.870 1.00 35.11 H new ATOM 0 HE2 TYR A 184 49.226 4.755 58.761 1.00 32.91 H new ATOM 0 HH TYR A 184 49.157 5.331 55.435 1.00 37.19 H new ATOM 2480 N LEU A 185 47.387 10.162 62.805 1.00 29.15 N ATOM 2481 CA LEU A 185 47.349 11.249 63.841 1.00 27.62 C ATOM 2482 C LEU A 185 48.753 11.622 64.279 1.00 27.38 C ATOM 2483 O LEU A 185 49.002 12.720 64.741 1.00 26.77 O ATOM 2484 CB LEU A 185 46.496 10.761 65.014 1.00 24.08 C ATOM 2485 CG LEU A 185 45.025 10.669 64.551 1.00 26.50 C ATOM 2486 CD1 LEU A 185 44.132 10.279 65.726 1.00 27.75 C ATOM 2487 CD2 LEU A 185 44.484 12.036 63.988 1.00 26.54 C ATOM 0 H LEU A 185 47.102 9.391 63.060 1.00 29.15 H new ATOM 0 HA LEU A 185 46.952 12.053 63.472 1.00 27.62 H new ATOM 0 HB2 LEU A 185 46.808 9.894 65.319 1.00 24.08 H new ATOM 0 HB3 LEU A 185 46.575 11.371 65.764 1.00 24.08 H new ATOM 0 HG LEU A 185 45.002 10.003 63.846 1.00 26.50 H new ATOM 0 HD11 LEU A 185 43.211 10.223 65.428 1.00 27.75 H new ATOM 0 HD12 LEU A 185 44.412 9.418 66.073 1.00 27.75 H new ATOM 0 HD13 LEU A 185 44.205 10.948 66.425 1.00 27.75 H new ATOM 0 HD21 LEU A 185 43.561 11.929 63.711 1.00 26.54 H new ATOM 0 HD22 LEU A 185 44.538 12.715 64.679 1.00 26.54 H new ATOM 0 HD23 LEU A 185 45.020 12.307 63.227 1.00 26.54 H new ATOM 2499 N GLU A 186 49.663 10.710 64.132 1.00 29.37 N ATOM 2500 CA GLU A 186 51.063 11.070 64.545 1.00 31.24 C ATOM 2501 C GLU A 186 51.675 12.161 63.579 1.00 33.51 C ATOM 2502 O GLU A 186 52.658 12.797 63.917 1.00 34.36 O ATOM 2503 CB GLU A 186 51.963 9.788 64.558 1.00 29.91 C ATOM 2504 CG GLU A 186 51.727 8.862 63.330 1.00 33.58 C ATOM 2505 CD GLU A 186 50.514 7.927 63.607 0.21 31.76 C ATOM 2506 OE1 GLU A 186 50.606 7.155 64.546 0.21 33.54 O ATOM 2507 OE2 GLU A 186 49.548 8.017 62.879 0.21 30.90 O ATOM 0 H GLU A 186 49.545 9.917 63.821 1.00 29.37 H new ATOM 0 HA GLU A 186 51.032 11.445 65.439 1.00 31.24 H new ATOM 0 HB2 GLU A 186 52.895 10.055 64.580 1.00 29.91 H new ATOM 0 HB3 GLU A 186 51.791 9.288 65.371 1.00 29.91 H new ATOM 0 HG2 GLU A 186 51.561 9.396 62.538 1.00 33.58 H new ATOM 0 HG3 GLU A 186 52.521 8.333 63.154 1.00 33.58 H new ATOM 2514 N GLY A 187 51.099 12.347 62.411 1.00 32.59 N ATOM 2515 CA GLY A 187 51.635 13.377 61.467 1.00 30.65 C ATOM 2516 C GLY A 187 52.653 12.693 60.551 1.00 32.86 C ATOM 2517 O GLY A 187 52.857 11.493 60.665 1.00 34.40 O ATOM 0 H GLY A 187 50.413 11.913 62.128 1.00 32.59 H new ATOM 0 HA2 GLY A 187 50.916 13.766 60.945 1.00 30.65 H new ATOM 0 HA3 GLY A 187 52.053 14.102 61.957 1.00 30.65 H new ATOM 2521 N GLY A 188A 53.249 13.444 59.652 1.00 30.70 N ATOM 2522 CA GLY A 188A 54.274 12.857 58.728 1.00 29.06 C ATOM 2523 C GLY A 188A 53.796 12.448 57.367 1.00 28.81 C ATOM 2524 O GLY A 188A 54.550 12.538 56.416 1.00 29.02 O ATOM 0 H GLY A 188A 53.097 14.283 59.540 1.00 30.70 H new ATOM 0 HA2 GLY A 188A 54.988 13.504 58.617 1.00 29.06 H new ATOM 0 HA3 GLY A 188A 54.661 12.079 59.160 1.00 29.06 H new ATOM 2528 N LYS A 188 52.571 11.998 57.292 1.00 27.86 N ATOM 2529 CA LYS A 188 51.997 11.552 55.985 1.00 28.17 C ATOM 2530 C LYS A 188 50.654 12.219 55.794 1.00 23.99 C ATOM 2531 O LYS A 188 49.827 12.103 56.693 1.00 23.86 O ATOM 2532 CB LYS A 188 51.833 10.056 56.027 1.00 28.33 C ATOM 2533 CG LYS A 188 53.223 9.368 56.071 1.00 31.39 C ATOM 2534 CD LYS A 188 53.127 7.966 56.802 1.00 32.39 C ATOM 2535 CE LYS A 188 54.039 7.924 58.064 0.69 33.66 C ATOM 2536 NZ LYS A 188 53.424 8.560 59.282 0.69 32.29 N ATOM 0 H LYS A 188 52.036 11.932 57.962 1.00 27.86 H new ATOM 0 HA LYS A 188 52.580 11.793 55.248 1.00 28.17 H new ATOM 0 HB2 LYS A 188 51.314 9.802 56.806 1.00 28.33 H new ATOM 0 HB3 LYS A 188 51.340 9.756 55.247 1.00 28.33 H new ATOM 0 HG2 LYS A 188 53.558 9.246 55.169 1.00 31.39 H new ATOM 0 HG3 LYS A 188 53.857 9.937 56.534 1.00 31.39 H new ATOM 0 HD2 LYS A 188 52.207 7.795 57.059 1.00 32.39 H new ATOM 0 HD3 LYS A 188 53.386 7.260 56.189 1.00 32.39 H new ATOM 0 HE2 LYS A 188 54.254 7.000 58.266 0.69 33.66 H new ATOM 0 HE3 LYS A 188 54.875 8.373 57.863 0.69 33.66 H new ATOM 0 HZ1 LYS A 188 53.992 8.504 59.965 0.69 32.29 H new ATOM 0 HZ2 LYS A 188 53.247 9.416 59.113 0.69 32.29 H new ATOM 0 HZ3 LYS A 188 52.669 8.137 59.489 0.69 32.29 H new ATOM 2550 N ASP A 189 50.478 12.872 54.670 1.00 20.81 N ATOM 2551 CA ASP A 189 49.179 13.583 54.372 1.00 18.49 C ATOM 2552 C ASP A 189 49.124 14.021 52.888 1.00 20.65 C ATOM 2553 O ASP A 189 50.110 13.940 52.160 1.00 18.68 O ATOM 2554 CB ASP A 189 49.075 14.903 55.277 1.00 19.82 C ATOM 2555 CG ASP A 189 47.674 15.578 55.385 1.00 19.48 C ATOM 2556 OD1 ASP A 189 47.673 16.648 55.993 1.00 19.33 O ATOM 2557 OD2 ASP A 189 46.709 14.999 54.887 1.00 17.15 O ATOM 0 H ASP A 189 51.071 12.935 54.051 1.00 20.81 H new ATOM 0 HA ASP A 189 48.449 12.973 54.561 1.00 18.49 H new ATOM 0 HB2 ASP A 189 49.371 14.678 56.173 1.00 19.82 H new ATOM 0 HB3 ASP A 189 49.699 15.558 54.928 1.00 19.82 H new ATOM 2562 N SER A 190 47.963 14.473 52.471 1.00 17.80 N ATOM 2563 CA SER A 190 47.838 14.963 51.082 1.00 18.34 C ATOM 2564 C SER A 190 48.141 16.491 51.455 1.00 19.09 C ATOM 2565 O SER A 190 48.312 16.839 52.626 1.00 18.90 O ATOM 2566 CB SER A 190 46.370 14.710 50.519 1.00 17.25 C ATOM 2567 OG SER A 190 45.472 15.245 51.477 1.00 18.09 O ATOM 0 H SER A 190 47.246 14.512 52.945 1.00 17.80 H new ATOM 0 HA SER A 190 48.388 14.569 50.387 1.00 18.34 H new ATOM 0 HB2 SER A 190 46.252 15.140 49.658 1.00 17.25 H new ATOM 0 HB3 SER A 190 46.210 13.762 50.387 1.00 17.25 H new ATOM 0 HG SER A 190 45.061 14.618 51.857 1.00 18.09 H new ATOM 2573 N CYS A 191 48.208 17.382 50.512 1.00 17.95 N ATOM 2574 CA CYS A 191 48.509 18.792 50.832 1.00 17.90 C ATOM 2575 C CYS A 191 48.015 19.649 49.648 1.00 22.31 C ATOM 2576 O CYS A 191 47.589 19.081 48.640 1.00 20.62 O ATOM 2577 CB CYS A 191 50.031 18.799 51.039 1.00 21.57 C ATOM 2578 SG CYS A 191 50.749 20.326 51.645 1.00 22.22 S ATOM 0 H CYS A 191 48.087 17.218 49.677 1.00 17.95 H new ATOM 0 HA CYS A 191 48.076 19.158 51.619 1.00 17.90 H new ATOM 0 HB2 CYS A 191 50.256 18.090 51.661 1.00 21.57 H new ATOM 0 HB3 CYS A 191 50.453 18.579 50.194 1.00 21.57 H new ATOM 2583 N GLN A 192 48.069 20.952 49.764 1.00 21.81 N ATOM 2584 CA GLN A 192 47.605 21.821 48.635 1.00 25.43 C ATOM 2585 C GLN A 192 48.308 21.355 47.341 1.00 22.05 C ATOM 2586 O GLN A 192 49.491 21.056 47.310 1.00 20.29 O ATOM 2587 CB GLN A 192 47.928 23.344 48.964 1.00 30.85 C ATOM 2588 CG GLN A 192 49.297 23.521 49.695 1.00 39.92 C ATOM 2589 CD GLN A 192 49.551 24.988 50.143 1.00 48.31 C ATOM 2590 OE1 GLN A 192 48.780 25.636 50.834 1.00 51.39 O ATOM 2591 NE2 GLN A 192 50.650 25.576 49.774 1.00 54.47 N ATOM 0 H GLN A 192 48.358 21.373 50.456 1.00 21.81 H new ATOM 0 HA GLN A 192 46.646 21.746 48.514 1.00 25.43 H new ATOM 0 HB2 GLN A 192 47.937 23.855 48.140 1.00 30.85 H new ATOM 0 HB3 GLN A 192 47.220 23.710 49.517 1.00 30.85 H new ATOM 0 HG2 GLN A 192 49.322 22.940 50.472 1.00 39.92 H new ATOM 0 HG3 GLN A 192 50.013 23.238 49.106 1.00 39.92 H new ATOM 0 HE21 GLN A 192 51.220 25.155 49.287 1.00 54.47 H new ATOM 0 HE22 GLN A 192 50.807 26.386 50.017 1.00 54.47 H new ATOM 2600 N GLY A 193 47.550 21.300 46.277 1.00 23.06 N ATOM 2601 CA GLY A 193 48.120 20.846 44.948 1.00 22.66 C ATOM 2602 C GLY A 193 47.528 19.469 44.651 1.00 19.80 C ATOM 2603 O GLY A 193 47.317 19.104 43.516 1.00 20.12 O ATOM 0 H GLY A 193 46.716 21.508 46.262 1.00 23.06 H new ATOM 0 HA2 GLY A 193 47.894 21.475 44.245 1.00 22.66 H new ATOM 0 HA3 GLY A 193 49.088 20.801 44.988 1.00 22.66 H new ATOM 2607 N ASP A 194 47.299 18.741 45.714 1.00 16.64 N ATOM 2608 CA ASP A 194 46.695 17.362 45.664 1.00 17.47 C ATOM 2609 C ASP A 194 45.148 17.509 45.577 1.00 16.31 C ATOM 2610 O ASP A 194 44.427 16.606 45.185 1.00 13.93 O ATOM 2611 CB ASP A 194 47.016 16.564 46.954 1.00 17.31 C ATOM 2612 CG ASP A 194 48.500 16.208 47.020 1.00 16.11 C ATOM 2613 OD1 ASP A 194 48.999 16.183 48.116 1.00 14.72 O ATOM 2614 OD2 ASP A 194 49.063 15.968 45.969 1.00 17.65 O ATOM 0 H ASP A 194 47.481 19.007 46.511 1.00 16.64 H new ATOM 0 HA ASP A 194 47.060 16.893 44.898 1.00 17.47 H new ATOM 0 HB2 ASP A 194 46.770 17.088 47.732 1.00 17.31 H new ATOM 0 HB3 ASP A 194 46.484 15.753 46.978 1.00 17.31 H new ATOM 2619 N SER A 195 44.751 18.680 45.991 1.00 19.17 N ATOM 2620 CA SER A 195 43.329 19.183 46.044 1.00 20.28 C ATOM 2621 C SER A 195 42.512 18.651 44.871 1.00 17.23 C ATOM 2622 O SER A 195 43.022 18.762 43.773 1.00 12.16 O ATOM 2623 CB SER A 195 43.269 20.701 45.912 1.00 21.91 C ATOM 2624 OG SER A 195 44.220 21.249 46.820 1.00 23.41 O ATOM 0 H SER A 195 45.311 19.268 46.275 1.00 19.17 H new ATOM 0 HA SER A 195 42.977 18.883 46.897 1.00 20.28 H new ATOM 0 HB2 SER A 195 43.470 20.972 45.003 1.00 21.91 H new ATOM 0 HB3 SER A 195 42.378 21.026 46.114 1.00 21.91 H new ATOM 2629 N GLY A 196 41.347 18.120 45.118 1.00 14.27 N ATOM 2630 CA GLY A 196 40.511 17.609 43.996 1.00 11.71 C ATOM 2631 C GLY A 196 40.825 16.193 43.586 1.00 12.09 C ATOM 2632 O GLY A 196 40.035 15.561 42.905 1.00 15.23 O ATOM 0 H GLY A 196 41.002 18.034 45.901 1.00 14.27 H new ATOM 0 HA2 GLY A 196 39.577 17.661 44.252 1.00 11.71 H new ATOM 0 HA3 GLY A 196 40.627 18.191 43.228 1.00 11.71 H new ATOM 2636 N GLY A 197 41.963 15.739 44.018 1.00 14.40 N ATOM 2637 CA GLY A 197 42.438 14.374 43.698 1.00 13.57 C ATOM 2638 C GLY A 197 41.652 13.259 44.326 1.00 16.22 C ATOM 2639 O GLY A 197 40.843 13.494 45.202 1.00 16.87 O ATOM 0 H GLY A 197 42.503 16.194 44.509 1.00 14.40 H new ATOM 0 HA2 GLY A 197 42.422 14.259 42.735 1.00 13.57 H new ATOM 0 HA3 GLY A 197 43.363 14.295 43.978 1.00 13.57 H new ATOM 2643 N PRO A 198 41.925 12.072 43.845 1.00 16.80 N ATOM 2644 CA PRO A 198 41.305 10.816 44.328 1.00 16.98 C ATOM 2645 C PRO A 198 41.810 10.150 45.626 1.00 18.63 C ATOM 2646 O PRO A 198 42.960 10.297 45.987 1.00 18.29 O ATOM 2647 CB PRO A 198 41.471 9.841 43.160 1.00 19.90 C ATOM 2648 CG PRO A 198 42.854 10.256 42.561 1.00 18.71 C ATOM 2649 CD PRO A 198 42.877 11.807 42.709 1.00 18.46 C ATOM 0 HA PRO A 198 40.401 11.050 44.591 1.00 16.98 H new ATOM 0 HB2 PRO A 198 41.470 8.918 43.458 1.00 19.90 H new ATOM 0 HB3 PRO A 198 40.756 9.931 42.511 1.00 19.90 H new ATOM 0 HG2 PRO A 198 43.588 9.842 43.041 1.00 18.71 H new ATOM 0 HG3 PRO A 198 42.935 9.986 41.633 1.00 18.71 H new ATOM 0 HD2 PRO A 198 43.769 12.133 42.908 1.00 18.46 H new ATOM 0 HD3 PRO A 198 42.590 12.247 41.894 1.00 18.46 H new ATOM 2657 N VAL A 199 40.897 9.442 46.250 1.00 18.88 N ATOM 2658 CA VAL A 199 41.137 8.673 47.505 1.00 16.94 C ATOM 2659 C VAL A 199 40.372 7.426 47.036 1.00 17.07 C ATOM 2660 O VAL A 199 39.145 7.431 46.997 1.00 16.74 O ATOM 2661 CB VAL A 199 40.467 9.304 48.698 1.00 15.94 C ATOM 2662 CG1 VAL A 199 40.731 8.411 49.937 1.00 16.79 C ATOM 2663 CG2 VAL A 199 41.127 10.669 48.864 1.00 16.92 C ATOM 0 H VAL A 199 40.088 9.378 45.966 1.00 18.88 H new ATOM 0 HA VAL A 199 42.055 8.571 47.800 1.00 16.94 H new ATOM 0 HB VAL A 199 39.507 9.396 48.591 1.00 15.94 H new ATOM 0 HG11 VAL A 199 40.306 8.803 50.716 1.00 16.79 H new ATOM 0 HG12 VAL A 199 40.366 7.526 49.782 1.00 16.79 H new ATOM 0 HG13 VAL A 199 41.686 8.344 50.090 1.00 16.79 H new ATOM 0 HG21 VAL A 199 40.735 11.128 49.623 1.00 16.92 H new ATOM 0 HG22 VAL A 199 42.078 10.553 49.013 1.00 16.92 H new ATOM 0 HG23 VAL A 199 40.988 11.196 48.061 1.00 16.92 H new ATOM 2673 N VAL A 200 41.109 6.412 46.687 1.00 16.24 N ATOM 2674 CA VAL A 200 40.485 5.147 46.196 1.00 17.21 C ATOM 2675 C VAL A 200 40.696 4.072 47.238 1.00 15.88 C ATOM 2676 O VAL A 200 41.817 3.892 47.680 1.00 16.87 O ATOM 2677 CB VAL A 200 41.164 4.832 44.791 1.00 16.23 C ATOM 2678 CG1 VAL A 200 40.724 3.480 44.203 1.00 19.56 C ATOM 2679 CG2 VAL A 200 40.717 5.934 43.796 1.00 17.18 C ATOM 0 H VAL A 200 41.969 6.404 46.715 1.00 16.24 H new ATOM 0 HA VAL A 200 39.526 5.207 46.064 1.00 17.21 H new ATOM 0 HB VAL A 200 42.124 4.803 44.927 1.00 16.23 H new ATOM 0 HG11 VAL A 200 41.165 3.339 43.351 1.00 19.56 H new ATOM 0 HG12 VAL A 200 40.966 2.767 44.814 1.00 19.56 H new ATOM 0 HG13 VAL A 200 39.763 3.481 44.073 1.00 19.56 H new ATOM 0 HG21 VAL A 200 41.117 5.768 42.928 1.00 17.18 H new ATOM 0 HG22 VAL A 200 39.751 5.923 43.714 1.00 17.18 H new ATOM 0 HG23 VAL A 200 41.004 6.801 44.123 1.00 17.18 H new ATOM 2689 N CYS A 201 39.616 3.417 47.587 1.00 17.42 N ATOM 2690 CA CYS A 201 39.675 2.332 48.602 1.00 18.85 C ATOM 2691 C CYS A 201 38.889 1.205 47.950 1.00 21.45 C ATOM 2692 O CYS A 201 37.791 1.441 47.475 1.00 20.55 O ATOM 2693 CB CYS A 201 38.999 2.822 49.899 1.00 21.55 C ATOM 2694 SG CYS A 201 39.160 4.589 50.291 1.00 23.58 S ATOM 0 H CYS A 201 38.833 3.566 47.264 1.00 17.42 H new ATOM 0 HA CYS A 201 40.572 2.056 48.846 1.00 18.85 H new ATOM 0 HB2 CYS A 201 38.054 2.609 49.846 1.00 21.55 H new ATOM 0 HB3 CYS A 201 39.363 2.314 50.640 1.00 21.55 H new ATOM 2699 N SER A 202 39.458 0.030 47.956 1.00 24.09 N ATOM 2700 CA SER A 202 38.848 -1.214 47.357 1.00 25.05 C ATOM 2701 C SER A 202 38.310 -1.070 45.917 1.00 24.72 C ATOM 2702 O SER A 202 37.312 -1.657 45.547 1.00 24.88 O ATOM 2703 CB SER A 202 37.678 -1.716 48.291 1.00 28.98 C ATOM 2704 OG SER A 202 38.226 -2.027 49.591 1.00 31.23 O ATOM 0 H SER A 202 40.230 -0.109 48.309 1.00 24.09 H new ATOM 0 HA SER A 202 39.577 -1.851 47.298 1.00 25.05 H new ATOM 0 HB2 SER A 202 36.993 -1.033 48.369 1.00 28.98 H new ATOM 0 HB3 SER A 202 37.255 -2.500 47.908 1.00 28.98 H new ATOM 0 HG SER A 202 37.612 -2.294 50.098 1.00 31.23 H new ATOM 2710 N GLY A 203 38.972 -0.284 45.122 1.00 22.61 N ATOM 2711 CA GLY A 203 38.515 -0.113 43.716 1.00 22.12 C ATOM 2712 C GLY A 203 37.473 0.978 43.457 1.00 22.54 C ATOM 2713 O GLY A 203 37.065 1.157 42.319 1.00 24.49 O ATOM 0 H GLY A 203 39.674 0.162 45.340 1.00 22.61 H new ATOM 0 HA2 GLY A 203 39.292 0.074 43.166 1.00 22.12 H new ATOM 0 HA3 GLY A 203 38.150 -0.958 43.412 1.00 22.12 H new ATOM 2717 N LYS A 204 37.079 1.686 44.483 1.00 20.40 N ATOM 2718 CA LYS A 204 36.058 2.745 44.290 1.00 19.97 C ATOM 2719 C LYS A 204 36.619 4.055 44.763 1.00 17.59 C ATOM 2720 O LYS A 204 37.437 4.107 45.672 1.00 12.79 O ATOM 2721 CB LYS A 204 34.821 2.485 45.137 1.00 25.54 C ATOM 2722 CG LYS A 204 34.455 1.029 45.183 1.00 30.90 C ATOM 2723 CD LYS A 204 33.819 0.631 43.872 1.00 36.31 C ATOM 2724 CE LYS A 204 33.941 -0.902 43.696 1.00 41.16 C ATOM 2725 NZ LYS A 204 33.045 -1.323 42.571 1.00 43.58 N ATOM 0 H LYS A 204 37.366 1.592 45.288 1.00 20.40 H new ATOM 0 HA LYS A 204 35.824 2.756 43.349 1.00 19.97 H new ATOM 0 HB2 LYS A 204 34.977 2.806 46.039 1.00 25.54 H new ATOM 0 HB3 LYS A 204 34.075 2.992 44.780 1.00 25.54 H new ATOM 0 HG2 LYS A 204 35.246 0.491 45.347 1.00 30.90 H new ATOM 0 HG3 LYS A 204 33.841 0.862 45.916 1.00 30.90 H new ATOM 0 HD2 LYS A 204 32.886 0.896 43.858 1.00 36.31 H new ATOM 0 HD3 LYS A 204 34.255 1.088 43.136 1.00 36.31 H new ATOM 0 HE2 LYS A 204 34.860 -1.148 43.505 1.00 41.16 H new ATOM 0 HE3 LYS A 204 33.690 -1.357 44.515 1.00 41.16 H new ATOM 0 HZ1 LYS A 204 33.104 -2.204 42.458 1.00 43.58 H new ATOM 0 HZ2 LYS A 204 32.204 -1.105 42.764 1.00 43.58 H new ATOM 0 HZ3 LYS A 204 33.294 -0.910 41.823 1.00 43.58 H new ATOM 2739 N LEU A 209 36.090 5.054 44.123 1.00 18.33 N ATOM 2740 CA LEU A 209 36.492 6.437 44.432 1.00 18.58 C ATOM 2741 C LEU A 209 35.629 6.746 45.638 1.00 18.09 C ATOM 2742 O LEU A 209 34.430 6.874 45.503 1.00 22.00 O ATOM 2743 CB LEU A 209 36.143 7.363 43.254 1.00 17.61 C ATOM 2744 CG LEU A 209 36.543 8.811 43.574 1.00 16.56 C ATOM 2745 CD1 LEU A 209 38.067 8.985 43.683 1.00 16.81 C ATOM 2746 CD2 LEU A 209 35.986 9.730 42.453 1.00 16.71 C ATOM 0 H LEU A 209 35.497 4.978 43.505 1.00 18.33 H new ATOM 0 HA LEU A 209 37.442 6.555 44.591 1.00 18.58 H new ATOM 0 HB2 LEU A 209 36.602 7.064 42.453 1.00 17.61 H new ATOM 0 HB3 LEU A 209 35.192 7.317 43.070 1.00 17.61 H new ATOM 0 HG LEU A 209 36.170 9.050 44.437 1.00 16.56 H new ATOM 0 HD11 LEU A 209 38.274 9.911 43.885 1.00 16.81 H new ATOM 0 HD12 LEU A 209 38.408 8.416 44.391 1.00 16.81 H new ATOM 0 HD13 LEU A 209 38.482 8.738 42.842 1.00 16.81 H new ATOM 0 HD21 LEU A 209 36.229 10.651 42.638 1.00 16.71 H new ATOM 0 HD22 LEU A 209 36.361 9.463 41.599 1.00 16.71 H new ATOM 0 HD23 LEU A 209 35.020 9.652 42.420 1.00 16.71 H new ATOM 2758 N GLN A 210 36.255 6.858 46.769 1.00 17.02 N ATOM 2759 CA GLN A 210 35.526 7.153 48.026 1.00 17.96 C ATOM 2760 C GLN A 210 35.719 8.604 48.488 1.00 16.43 C ATOM 2761 O GLN A 210 34.870 9.119 49.191 1.00 14.43 O ATOM 2762 CB GLN A 210 36.046 6.168 49.102 1.00 19.88 C ATOM 2763 CG GLN A 210 35.600 4.654 48.833 1.00 20.91 C ATOM 2764 CD GLN A 210 34.122 4.347 49.134 1.00 22.84 C ATOM 2765 OE1 GLN A 210 33.676 3.249 48.881 1.00 23.72 O ATOM 2766 NE2 GLN A 210 33.305 5.205 49.658 1.00 23.20 N ATOM 0 H GLN A 210 37.106 6.771 46.861 1.00 17.02 H new ATOM 0 HA GLN A 210 34.574 7.043 47.878 1.00 17.96 H new ATOM 0 HB2 GLN A 210 37.014 6.214 49.134 1.00 19.88 H new ATOM 0 HB3 GLN A 210 35.720 6.446 49.972 1.00 19.88 H new ATOM 0 HG2 GLN A 210 35.778 4.439 47.904 1.00 20.91 H new ATOM 0 HG3 GLN A 210 36.154 4.067 49.371 1.00 20.91 H new ATOM 0 HE21 GLN A 210 33.579 5.996 49.853 1.00 23.20 H new ATOM 0 HE22 GLN A 210 32.488 4.983 49.810 1.00 23.20 H new ATOM 2775 N GLY A 211 36.795 9.222 48.113 1.00 14.10 N ATOM 2776 CA GLY A 211 36.998 10.623 48.557 1.00 15.51 C ATOM 2777 C GLY A 211 37.667 11.525 47.551 1.00 15.12 C ATOM 2778 O GLY A 211 38.176 11.041 46.559 1.00 14.21 O ATOM 0 H GLY A 211 37.417 8.890 47.620 1.00 14.10 H new ATOM 0 HA2 GLY A 211 36.135 11.002 48.787 1.00 15.51 H new ATOM 0 HA3 GLY A 211 37.530 10.616 49.368 1.00 15.51 H new ATOM 2782 N ILE A 212 37.624 12.802 47.871 1.00 16.21 N ATOM 2783 CA ILE A 212 38.230 13.869 47.030 1.00 15.92 C ATOM 2784 C ILE A 212 39.103 14.671 47.998 1.00 15.51 C ATOM 2785 O ILE A 212 38.611 15.034 49.047 1.00 13.25 O ATOM 2786 CB ILE A 212 37.119 14.780 46.413 1.00 18.30 C ATOM 2787 CG1 ILE A 212 36.225 13.881 45.438 1.00 20.54 C ATOM 2788 CG2 ILE A 212 37.734 16.002 45.607 1.00 15.99 C ATOM 2789 CD1 ILE A 212 35.094 14.719 44.817 1.00 21.30 C ATOM 0 H ILE A 212 37.244 13.097 48.584 1.00 16.21 H new ATOM 0 HA ILE A 212 38.737 13.508 46.286 1.00 15.92 H new ATOM 0 HB ILE A 212 36.584 15.153 47.131 1.00 18.30 H new ATOM 0 HG12 ILE A 212 36.780 13.506 44.736 1.00 20.54 H new ATOM 0 HG13 ILE A 212 35.849 13.135 45.931 1.00 20.54 H new ATOM 0 HG21 ILE A 212 37.016 16.542 45.241 1.00 15.99 H new ATOM 0 HG22 ILE A 212 38.274 16.544 46.203 1.00 15.99 H new ATOM 0 HG23 ILE A 212 38.288 15.667 44.884 1.00 15.99 H new ATOM 0 HD11 ILE A 212 34.562 14.160 44.229 1.00 21.30 H new ATOM 0 HD12 ILE A 212 34.530 15.075 45.522 1.00 21.30 H new ATOM 0 HD13 ILE A 212 35.476 15.451 44.308 1.00 21.30 H new ATOM 2801 N VAL A 213 40.339 14.927 47.656 1.00 13.71 N ATOM 2802 CA VAL A 213 41.232 15.712 48.564 1.00 14.92 C ATOM 2803 C VAL A 213 40.558 17.113 48.723 1.00 15.45 C ATOM 2804 O VAL A 213 40.413 17.844 47.763 1.00 15.64 O ATOM 2805 CB VAL A 213 42.696 15.788 47.918 1.00 14.44 C ATOM 2806 CG1 VAL A 213 43.655 16.595 48.846 1.00 13.60 C ATOM 2807 CG2 VAL A 213 43.302 14.370 47.698 1.00 14.12 C ATOM 0 H VAL A 213 40.704 14.673 46.920 1.00 13.71 H new ATOM 0 HA VAL A 213 41.342 15.308 49.439 1.00 14.92 H new ATOM 0 HB VAL A 213 42.606 16.229 47.059 1.00 14.44 H new ATOM 0 HG11 VAL A 213 44.537 16.634 48.445 1.00 13.60 H new ATOM 0 HG12 VAL A 213 43.313 17.495 48.961 1.00 13.60 H new ATOM 0 HG13 VAL A 213 43.713 16.158 49.710 1.00 13.60 H new ATOM 0 HG21 VAL A 213 44.186 14.453 47.307 1.00 14.12 H new ATOM 0 HG22 VAL A 213 43.368 13.910 48.550 1.00 14.12 H new ATOM 0 HG23 VAL A 213 42.731 13.863 47.100 1.00 14.12 H new ATOM 2817 N SER A 214 40.192 17.425 49.939 1.00 15.54 N ATOM 2818 CA SER A 214 39.521 18.700 50.276 1.00 15.35 C ATOM 2819 C SER A 214 40.303 19.644 51.190 1.00 15.33 C ATOM 2820 O SER A 214 40.720 20.698 50.742 1.00 15.59 O ATOM 2821 CB SER A 214 38.150 18.275 50.883 1.00 13.38 C ATOM 2822 OG SER A 214 37.322 19.388 51.150 1.00 14.59 O ATOM 0 H SER A 214 40.318 16.910 50.616 1.00 15.54 H new ATOM 0 HA SER A 214 39.431 19.244 49.478 1.00 15.35 H new ATOM 0 HB2 SER A 214 37.697 17.676 50.269 1.00 13.38 H new ATOM 0 HB3 SER A 214 38.300 17.780 51.704 1.00 13.38 H new ATOM 0 HG SER A 214 37.193 19.818 50.440 1.00 14.59 H new ATOM 2828 N TRP A 215 40.505 19.304 52.435 1.00 14.50 N ATOM 2829 CA TRP A 215 41.265 20.288 53.277 1.00 18.15 C ATOM 2830 C TRP A 215 41.980 19.657 54.441 1.00 16.51 C ATOM 2831 O TRP A 215 41.986 18.460 54.584 1.00 13.22 O ATOM 2832 CB TRP A 215 40.280 21.442 53.831 1.00 17.74 C ATOM 2833 CG TRP A 215 39.037 20.968 54.629 1.00 19.17 C ATOM 2834 CD1 TRP A 215 37.880 20.448 54.100 1.00 19.83 C ATOM 2835 CD2 TRP A 215 38.904 21.004 55.986 1.00 20.16 C ATOM 2836 NE1 TRP A 215 37.114 20.199 55.156 1.00 20.46 N ATOM 2837 CE2 TRP A 215 37.633 20.498 56.341 1.00 21.04 C ATOM 2838 CE3 TRP A 215 39.790 21.431 56.982 1.00 20.65 C ATOM 2839 CZ2 TRP A 215 37.255 20.419 57.679 1.00 20.31 C ATOM 2840 CZ3 TRP A 215 39.403 21.346 58.321 1.00 20.46 C ATOM 2841 CH2 TRP A 215 38.140 20.842 58.664 1.00 21.67 C ATOM 0 H TRP A 215 40.248 18.578 52.818 1.00 14.50 H new ATOM 0 HA TRP A 215 41.939 20.667 52.692 1.00 18.15 H new ATOM 0 HB2 TRP A 215 40.797 22.035 54.398 1.00 17.74 H new ATOM 0 HB3 TRP A 215 39.973 21.968 53.076 1.00 17.74 H new ATOM 0 HD1 TRP A 215 37.679 20.303 53.204 1.00 19.83 H new ATOM 0 HE1 TRP A 215 36.326 19.863 55.077 1.00 20.46 H new ATOM 0 HE3 TRP A 215 40.627 21.767 56.755 1.00 20.65 H new ATOM 0 HZ2 TRP A 215 36.418 20.086 57.911 1.00 20.31 H new ATOM 0 HZ3 TRP A 215 39.986 21.625 58.989 1.00 20.46 H new ATOM 0 HH2 TRP A 215 37.892 20.790 59.559 1.00 21.67 H new ATOM 2852 N GLY A 216 42.584 20.489 55.231 1.00 21.62 N ATOM 2853 CA GLY A 216 43.332 20.027 56.434 1.00 23.78 C ATOM 2854 C GLY A 216 43.880 21.273 57.152 1.00 26.07 C ATOM 2855 O GLY A 216 43.581 22.387 56.759 1.00 27.18 O ATOM 0 H GLY A 216 42.592 21.341 55.114 1.00 21.62 H new ATOM 0 HA2 GLY A 216 42.750 19.523 57.024 1.00 23.78 H new ATOM 0 HA3 GLY A 216 44.057 19.436 56.178 1.00 23.78 H new ATOM 2859 N SER A 217 44.660 21.071 58.174 1.00 27.02 N ATOM 2860 CA SER A 217 45.247 22.232 58.937 1.00 30.14 C ATOM 2861 C SER A 217 46.701 22.063 58.481 1.00 28.64 C ATOM 2862 O SER A 217 47.348 21.142 58.953 1.00 29.32 O ATOM 2863 CB SER A 217 45.149 22.043 60.496 1.00 27.86 C ATOM 2864 OG SER A 217 45.585 23.282 61.038 1.00 28.83 O ATOM 0 H SER A 217 44.883 20.295 58.469 1.00 27.02 H new ATOM 0 HA SER A 217 44.821 23.089 58.776 1.00 30.14 H new ATOM 0 HB2 SER A 217 44.241 21.839 60.770 1.00 27.86 H new ATOM 0 HB3 SER A 217 45.708 21.310 60.798 1.00 27.86 H new ATOM 0 HG SER A 217 45.555 23.247 61.877 1.00 28.83 H new ATOM 2870 N GLY A 219 47.157 22.917 57.599 1.00 29.31 N ATOM 2871 CA GLY A 219 48.561 22.795 57.105 1.00 29.05 C ATOM 2872 C GLY A 219 48.610 21.393 56.502 1.00 29.57 C ATOM 2873 O GLY A 219 47.604 20.882 56.021 1.00 28.03 O ATOM 0 H GLY A 219 46.705 23.568 57.264 1.00 29.31 H new ATOM 0 HA2 GLY A 219 48.767 23.475 56.444 1.00 29.05 H new ATOM 0 HA3 GLY A 219 49.203 22.896 57.825 1.00 29.05 H new ATOM 2877 N CYS A 220 49.757 20.795 56.530 1.00 28.10 N ATOM 2878 CA CYS A 220 49.881 19.416 55.968 1.00 27.91 C ATOM 2879 C CYS A 220 50.786 18.568 56.853 1.00 27.78 C ATOM 2880 O CYS A 220 51.802 19.029 57.337 1.00 28.47 O ATOM 2881 CB CYS A 220 50.498 19.461 54.543 1.00 27.68 C ATOM 2882 SG CYS A 220 49.663 20.513 53.335 1.00 27.08 S ATOM 0 H CYS A 220 50.481 21.129 56.853 1.00 28.10 H new ATOM 0 HA CYS A 220 48.992 19.029 55.929 1.00 27.91 H new ATOM 0 HB2 CYS A 220 51.418 19.759 54.620 1.00 27.68 H new ATOM 0 HB3 CYS A 220 50.521 18.556 54.193 1.00 27.68 H new ATOM 2887 N ALA A 221A 50.387 17.346 57.023 1.00 27.33 N ATOM 2888 CA ALA A 221A 51.123 16.329 57.839 1.00 26.06 C ATOM 2889 C ALA A 221A 51.387 16.679 59.295 1.00 27.27 C ATOM 2890 O ALA A 221A 52.325 16.146 59.856 1.00 25.21 O ATOM 2891 CB ALA A 221A 52.470 16.021 57.138 1.00 26.48 C ATOM 0 H ALA A 221A 49.664 17.041 56.672 1.00 27.33 H new ATOM 0 HA ALA A 221A 50.529 15.563 57.882 1.00 26.06 H new ATOM 0 HB1 ALA A 221A 52.961 15.363 57.654 1.00 26.48 H new ATOM 0 HB2 ALA A 221A 52.300 15.673 56.249 1.00 26.48 H new ATOM 0 HB3 ALA A 221A 52.994 16.835 57.071 1.00 26.48 H new ATOM 2897 N GLN A 221 50.568 17.521 59.859 1.00 26.47 N ATOM 2898 CA GLN A 221 50.750 17.914 61.293 1.00 27.11 C ATOM 2899 C GLN A 221 50.101 16.848 62.158 1.00 27.72 C ATOM 2900 O GLN A 221 49.119 16.236 61.759 1.00 22.98 O ATOM 2901 CB GLN A 221 50.061 19.298 61.617 1.00 28.38 C ATOM 2902 CG GLN A 221 50.742 20.498 60.866 1.00 30.87 C ATOM 2903 CD GLN A 221 52.179 20.598 61.357 0.01 30.20 C ATOM 2904 OE1 GLN A 221 52.422 20.914 62.503 0.01 31.65 O ATOM 2905 NE2 GLN A 221 53.154 20.333 60.546 0.01 30.34 N ATOM 0 H GLN A 221 49.899 17.890 59.464 1.00 26.47 H new ATOM 0 HA GLN A 221 51.700 17.999 61.469 1.00 27.11 H new ATOM 0 HB2 GLN A 221 49.124 19.255 61.370 1.00 28.38 H new ATOM 0 HB3 GLN A 221 50.095 19.457 62.573 1.00 28.38 H new ATOM 0 HG2 GLN A 221 50.720 20.356 59.907 1.00 30.87 H new ATOM 0 HG3 GLN A 221 50.264 21.324 61.041 1.00 30.87 H new ATOM 0 HE21 GLN A 221 52.988 20.108 59.733 0.01 30.34 H new ATOM 0 HE22 GLN A 221 53.967 20.382 60.821 0.01 30.34 H new ATOM 2914 N LYS A 222 50.716 16.713 63.315 1.00 29.66 N ATOM 2915 CA LYS A 222 50.289 15.742 64.344 1.00 29.37 C ATOM 2916 C LYS A 222 48.881 16.191 64.783 1.00 29.51 C ATOM 2917 O LYS A 222 48.643 17.361 65.005 1.00 27.66 O ATOM 2918 CB LYS A 222 51.307 15.807 65.484 0.48 29.33 C ATOM 2919 CG LYS A 222 50.895 14.900 66.662 0.48 32.25 C ATOM 2920 CD LYS A 222 51.959 15.089 67.781 0.48 35.91 C ATOM 2921 CE LYS A 222 51.674 14.192 69.019 0.48 40.66 C ATOM 2922 NZ LYS A 222 52.726 14.418 70.072 0.48 43.15 N ATOM 0 H LYS A 222 51.402 17.180 63.542 1.00 29.66 H new ATOM 0 HA LYS A 222 50.251 14.823 64.035 1.00 29.37 H new ATOM 0 HB2 LYS A 222 52.179 15.537 65.156 0.48 29.33 H new ATOM 0 HB3 LYS A 222 51.391 16.723 65.793 0.48 29.33 H new ATOM 0 HG2 LYS A 222 50.012 15.138 66.985 0.48 32.25 H new ATOM 0 HG3 LYS A 222 50.854 13.972 66.382 0.48 32.25 H new ATOM 0 HD2 LYS A 222 52.838 14.881 67.428 0.48 35.91 H new ATOM 0 HD3 LYS A 222 51.977 16.019 68.055 0.48 35.91 H new ATOM 0 HE2 LYS A 222 50.796 14.394 69.379 0.48 40.66 H new ATOM 0 HE3 LYS A 222 51.664 13.258 68.756 0.48 40.66 H new ATOM 0 HZ1 LYS A 222 52.557 13.902 70.777 0.48 43.15 H new ATOM 0 HZ2 LYS A 222 53.526 14.214 69.741 0.48 43.15 H new ATOM 0 HZ3 LYS A 222 52.718 15.272 70.322 0.48 43.15 H new ATOM 2936 N ASN A 223 48.016 15.228 64.887 1.00 30.87 N ATOM 2937 CA ASN A 223 46.588 15.364 65.287 1.00 34.17 C ATOM 2938 C ASN A 223 45.752 16.228 64.355 1.00 31.39 C ATOM 2939 O ASN A 223 44.690 16.662 64.763 1.00 30.57 O ATOM 2940 CB ASN A 223 46.475 15.950 66.704 1.00 40.39 C ATOM 2941 CG ASN A 223 46.965 14.912 67.737 1.00 47.16 C ATOM 2942 OD1 ASN A 223 46.519 13.777 67.780 1.00 51.66 O ATOM 2943 ND2 ASN A 223 47.880 15.248 68.598 1.00 49.67 N ATOM 0 H ASN A 223 48.230 14.412 64.722 1.00 30.87 H new ATOM 0 HA ASN A 223 46.235 14.462 65.245 1.00 34.17 H new ATOM 0 HB2 ASN A 223 47.003 16.761 66.771 1.00 40.39 H new ATOM 0 HB3 ASN A 223 45.555 16.195 66.890 1.00 40.39 H new ATOM 0 HD21 ASN A 223 48.156 14.676 69.178 1.00 49.67 H new ATOM 0 HD22 ASN A 223 48.210 16.042 68.587 1.00 49.67 H new ATOM 2950 N LYS A 224 46.240 16.442 63.155 1.00 28.75 N ATOM 2951 CA LYS A 224 45.546 17.262 62.108 1.00 28.14 C ATOM 2952 C LYS A 224 45.522 16.397 60.823 1.00 25.02 C ATOM 2953 O LYS A 224 46.266 16.705 59.904 1.00 26.67 O ATOM 2954 CB LYS A 224 46.341 18.591 61.831 1.00 30.13 C ATOM 2955 CG LYS A 224 46.249 19.616 63.004 1.00 33.49 C ATOM 2956 CD LYS A 224 44.775 20.137 63.208 1.00 35.45 C ATOM 2957 CE LYS A 224 44.638 20.950 64.521 1.00 37.18 C ATOM 2958 NZ LYS A 224 43.208 21.324 64.709 1.00 39.31 N ATOM 0 H LYS A 224 46.994 16.122 62.894 1.00 28.75 H new ATOM 0 HA LYS A 224 44.653 17.506 62.396 1.00 28.14 H new ATOM 0 HB2 LYS A 224 47.273 18.376 61.669 1.00 30.13 H new ATOM 0 HB3 LYS A 224 46.000 19.003 61.022 1.00 30.13 H new ATOM 0 HG2 LYS A 224 46.562 19.200 63.823 1.00 33.49 H new ATOM 0 HG3 LYS A 224 46.836 20.367 62.825 1.00 33.49 H new ATOM 0 HD2 LYS A 224 44.519 20.691 62.454 1.00 35.45 H new ATOM 0 HD3 LYS A 224 44.164 19.384 63.227 1.00 35.45 H new ATOM 0 HE2 LYS A 224 44.949 20.425 65.275 1.00 37.18 H new ATOM 0 HE3 LYS A 224 45.191 21.746 64.482 1.00 37.18 H new ATOM 0 HZ1 LYS A 224 43.128 21.840 65.430 1.00 39.31 H new ATOM 0 HZ2 LYS A 224 42.920 21.768 63.993 1.00 39.31 H new ATOM 0 HZ3 LYS A 224 42.720 20.588 64.817 1.00 39.31 H new ATOM 2972 N PRO A 225 44.719 15.352 60.756 1.00 24.59 N ATOM 2973 CA PRO A 225 44.628 14.490 59.524 1.00 21.87 C ATOM 2974 C PRO A 225 43.969 15.238 58.346 1.00 20.42 C ATOM 2975 O PRO A 225 43.405 16.311 58.487 1.00 17.31 O ATOM 2976 CB PRO A 225 43.845 13.254 59.978 1.00 21.34 C ATOM 2977 CG PRO A 225 42.921 13.842 61.079 1.00 24.76 C ATOM 2978 CD PRO A 225 43.807 14.878 61.831 1.00 25.29 C ATOM 0 HA PRO A 225 45.499 14.242 59.176 1.00 21.87 H new ATOM 0 HB2 PRO A 225 43.338 12.859 59.252 1.00 21.34 H new ATOM 0 HB3 PRO A 225 44.429 12.562 60.326 1.00 21.34 H new ATOM 0 HG2 PRO A 225 42.137 14.264 60.693 1.00 24.76 H new ATOM 0 HG3 PRO A 225 42.603 13.149 61.679 1.00 24.76 H new ATOM 0 HD2 PRO A 225 43.280 15.602 62.204 1.00 25.29 H new ATOM 0 HD3 PRO A 225 44.293 14.473 62.566 1.00 25.29 H new ATOM 2986 N GLY A 226 44.057 14.643 57.189 1.00 20.52 N ATOM 2987 CA GLY A 226 43.451 15.304 55.986 1.00 18.38 C ATOM 2988 C GLY A 226 41.936 15.063 56.052 1.00 17.81 C ATOM 2989 O GLY A 226 41.533 14.083 56.664 1.00 19.80 O ATOM 0 H GLY A 226 44.440 13.886 57.046 1.00 20.52 H new ATOM 0 HA2 GLY A 226 43.647 16.254 55.982 1.00 18.38 H new ATOM 0 HA3 GLY A 226 43.821 14.935 55.169 1.00 18.38 H new ATOM 2993 N VAL A 227 41.176 15.933 55.434 1.00 16.22 N ATOM 2994 CA VAL A 227 39.691 15.829 55.407 1.00 14.44 C ATOM 2995 C VAL A 227 39.397 15.715 53.917 1.00 11.58 C ATOM 2996 O VAL A 227 39.914 16.441 53.086 1.00 14.44 O ATOM 2997 CB VAL A 227 39.057 17.139 56.092 1.00 14.80 C ATOM 2998 CG1 VAL A 227 37.556 16.934 56.307 1.00 15.32 C ATOM 2999 CG2 VAL A 227 39.675 17.445 57.499 1.00 14.98 C ATOM 0 H VAL A 227 41.485 16.613 55.009 1.00 16.22 H new ATOM 0 HA VAL A 227 39.313 15.083 55.899 1.00 14.44 H new ATOM 0 HB VAL A 227 39.246 17.877 55.492 1.00 14.80 H new ATOM 0 HG11 VAL A 227 37.177 17.726 56.720 1.00 15.32 H new ATOM 0 HG12 VAL A 227 37.125 16.778 55.452 1.00 15.32 H new ATOM 0 HG13 VAL A 227 37.413 16.168 56.885 1.00 15.32 H new ATOM 0 HG21 VAL A 227 39.261 18.241 57.868 1.00 14.98 H new ATOM 0 HG22 VAL A 227 39.517 16.694 58.092 1.00 14.98 H new ATOM 0 HG23 VAL A 227 40.630 17.590 57.409 1.00 14.98 H new ATOM 3009 N TYR A 228 38.557 14.774 53.666 1.00 14.80 N ATOM 3010 CA TYR A 228 38.087 14.393 52.311 1.00 16.13 C ATOM 3011 C TYR A 228 36.576 14.446 52.113 1.00 15.85 C ATOM 3012 O TYR A 228 35.848 14.189 53.050 1.00 14.27 O ATOM 3013 CB TYR A 228 38.597 12.941 52.058 1.00 12.60 C ATOM 3014 CG TYR A 228 40.113 12.899 52.294 1.00 14.43 C ATOM 3015 CD1 TYR A 228 40.941 13.077 51.217 1.00 15.45 C ATOM 3016 CD2 TYR A 228 40.684 12.736 53.558 1.00 14.13 C ATOM 3017 CE1 TYR A 228 42.297 13.103 51.376 1.00 15.35 C ATOM 3018 CE2 TYR A 228 42.056 12.764 53.712 1.00 13.24 C ATOM 3019 CZ TYR A 228 42.857 12.953 52.604 1.00 14.39 C ATOM 3020 OH TYR A 228 44.223 13.033 52.617 1.00 16.49 O ATOM 0 H TYR A 228 38.206 14.294 54.288 1.00 14.80 H new ATOM 0 HA TYR A 228 38.439 15.041 51.681 1.00 16.13 H new ATOM 0 HB2 TYR A 228 38.148 12.319 52.652 1.00 12.60 H new ATOM 0 HB3 TYR A 228 38.391 12.666 51.151 1.00 12.60 H new ATOM 0 HD1 TYR A 228 40.575 13.181 50.368 1.00 15.45 H new ATOM 0 HD2 TYR A 228 40.138 12.608 54.300 1.00 14.13 H new ATOM 0 HE1 TYR A 228 42.844 13.225 50.634 1.00 15.35 H new ATOM 0 HE2 TYR A 228 42.436 12.657 54.554 1.00 13.24 H new ATOM 0 HH TYR A 228 44.514 12.748 53.352 1.00 16.49 H new ATOM 3030 N THR A 229 36.168 14.762 50.910 1.00 15.44 N ATOM 3031 CA THR A 229 34.711 14.832 50.564 1.00 15.05 C ATOM 3032 C THR A 229 34.292 13.357 50.494 1.00 14.39 C ATOM 3033 O THR A 229 34.959 12.553 49.869 1.00 14.87 O ATOM 3034 CB THR A 229 34.486 15.455 49.171 1.00 14.66 C ATOM 3035 OG1 THR A 229 35.069 16.761 49.173 1.00 15.44 O ATOM 3036 CG2 THR A 229 32.975 15.595 48.868 1.00 13.21 C ATOM 0 H THR A 229 36.697 14.945 50.257 1.00 15.44 H new ATOM 0 HA THR A 229 34.218 15.370 51.204 1.00 15.05 H new ATOM 0 HB THR A 229 34.888 14.885 48.497 1.00 14.66 H new ATOM 0 HG1 THR A 229 34.828 17.177 48.484 1.00 15.44 H new ATOM 0 HG21 THR A 229 32.856 15.988 47.989 1.00 13.21 H new ATOM 0 HG22 THR A 229 32.558 14.719 48.889 1.00 13.21 H new ATOM 0 HG23 THR A 229 32.562 16.165 49.535 1.00 13.21 H new ATOM 3044 N LYS A 230 33.199 13.068 51.114 1.00 11.46 N ATOM 3045 CA LYS A 230 32.630 11.697 51.174 1.00 15.74 C ATOM 3046 C LYS A 230 31.763 11.450 49.914 1.00 17.16 C ATOM 3047 O LYS A 230 30.561 11.679 49.923 1.00 16.53 O ATOM 3048 CB LYS A 230 31.845 11.663 52.491 1.00 17.19 C ATOM 3049 CG LYS A 230 31.434 10.242 52.879 1.00 23.03 C ATOM 3050 CD LYS A 230 30.731 10.332 54.309 1.00 26.89 C ATOM 3051 CE LYS A 230 30.684 8.955 54.938 1.00 31.70 C ATOM 3052 NZ LYS A 230 29.884 8.967 56.191 1.00 34.06 N ATOM 0 H LYS A 230 32.729 13.654 51.533 1.00 11.46 H new ATOM 0 HA LYS A 230 33.290 10.986 51.169 1.00 15.74 H new ATOM 0 HB2 LYS A 230 32.386 12.047 53.199 1.00 17.19 H new ATOM 0 HB3 LYS A 230 31.053 12.216 52.408 1.00 17.19 H new ATOM 0 HG2 LYS A 230 30.827 9.869 52.221 1.00 23.03 H new ATOM 0 HG3 LYS A 230 32.208 9.658 52.913 1.00 23.03 H new ATOM 0 HD2 LYS A 230 31.220 10.943 54.882 1.00 26.89 H new ATOM 0 HD3 LYS A 230 29.833 10.687 54.217 1.00 26.89 H new ATOM 0 HE2 LYS A 230 30.299 8.323 54.311 1.00 31.70 H new ATOM 0 HE3 LYS A 230 31.586 8.652 55.129 1.00 31.70 H new ATOM 0 HZ1 LYS A 230 29.870 8.149 56.542 1.00 34.06 H new ATOM 0 HZ2 LYS A 230 30.250 9.533 56.772 1.00 34.06 H new ATOM 0 HZ3 LYS A 230 29.052 9.226 56.010 1.00 34.06 H new ATOM 3066 N VAL A 231 32.434 10.996 48.876 1.00 15.25 N ATOM 3067 CA VAL A 231 31.778 10.721 47.581 1.00 15.80 C ATOM 3068 C VAL A 231 30.537 9.799 47.587 1.00 15.54 C ATOM 3069 O VAL A 231 29.643 10.007 46.776 1.00 14.59 O ATOM 3070 CB VAL A 231 32.905 10.175 46.627 1.00 15.39 C ATOM 3071 CG1 VAL A 231 32.333 9.945 45.203 1.00 16.67 C ATOM 3072 CG2 VAL A 231 33.999 11.224 46.480 1.00 15.30 C ATOM 0 H VAL A 231 33.279 10.834 48.886 1.00 15.25 H new ATOM 0 HA VAL A 231 31.385 11.555 47.279 1.00 15.80 H new ATOM 0 HB VAL A 231 33.245 9.350 47.007 1.00 15.39 H new ATOM 0 HG11 VAL A 231 33.034 9.609 44.623 1.00 16.67 H new ATOM 0 HG12 VAL A 231 31.611 9.299 45.245 1.00 16.67 H new ATOM 0 HG13 VAL A 231 31.996 10.783 44.850 1.00 16.67 H new ATOM 0 HG21 VAL A 231 34.693 10.887 45.892 1.00 15.30 H new ATOM 0 HG22 VAL A 231 33.622 12.035 46.103 1.00 15.30 H new ATOM 0 HG23 VAL A 231 34.380 11.419 47.351 1.00 15.30 H new ATOM 3082 N CYS A 232 30.471 8.819 48.462 1.00 16.61 N ATOM 3083 CA CYS A 232 29.281 7.913 48.463 1.00 18.18 C ATOM 3084 C CYS A 232 28.008 8.689 48.717 1.00 17.80 C ATOM 3085 O CYS A 232 26.959 8.187 48.420 1.00 18.12 O ATOM 3086 CB CYS A 232 29.496 6.819 49.523 1.00 19.49 C ATOM 3087 SG CYS A 232 29.752 7.371 51.203 1.00 17.42 S ATOM 0 H CYS A 232 31.069 8.644 49.055 1.00 16.61 H new ATOM 0 HA CYS A 232 29.186 7.498 47.591 1.00 18.18 H new ATOM 0 HB2 CYS A 232 28.725 6.230 49.512 1.00 19.49 H new ATOM 0 HB3 CYS A 232 30.263 6.287 49.259 1.00 19.49 H new ATOM 3092 N ASN A 233 28.094 9.876 49.249 1.00 17.86 N ATOM 3093 CA ASN A 233 26.853 10.692 49.510 1.00 17.80 C ATOM 3094 C ASN A 233 26.437 11.463 48.261 1.00 16.03 C ATOM 3095 O ASN A 233 25.391 12.091 48.260 1.00 17.73 O ATOM 3096 CB ASN A 233 27.065 11.787 50.595 1.00 16.81 C ATOM 3097 CG ASN A 233 27.152 11.204 51.996 1.00 19.62 C ATOM 3098 OD1 ASN A 233 27.030 10.006 52.194 1.00 20.56 O ATOM 3099 ND2 ASN A 233 27.358 12.019 52.985 1.00 21.57 N ATOM 0 H ASN A 233 28.832 10.256 49.476 1.00 17.86 H new ATOM 0 HA ASN A 233 26.188 10.045 49.795 1.00 17.80 H new ATOM 0 HB2 ASN A 233 27.878 12.278 50.401 1.00 16.81 H new ATOM 0 HB3 ASN A 233 26.333 12.423 50.557 1.00 16.81 H new ATOM 0 HD21 ASN A 233 27.410 11.716 53.788 1.00 21.57 H new ATOM 0 HD22 ASN A 233 27.443 12.862 52.837 1.00 21.57 H new ATOM 3106 N TYR A 234 27.243 11.401 47.239 1.00 14.74 N ATOM 3107 CA TYR A 234 26.922 12.153 45.983 1.00 15.40 C ATOM 3108 C TYR A 234 26.726 11.350 44.725 1.00 15.39 C ATOM 3109 O TYR A 234 26.642 11.946 43.668 1.00 16.89 O ATOM 3110 CB TYR A 234 28.058 13.147 45.704 1.00 16.77 C ATOM 3111 CG TYR A 234 28.286 14.086 46.873 1.00 16.03 C ATOM 3112 CD1 TYR A 234 27.497 15.216 46.970 1.00 17.63 C ATOM 3113 CD2 TYR A 234 29.265 13.835 47.838 1.00 13.37 C ATOM 3114 CE1 TYR A 234 27.681 16.091 48.017 1.00 19.31 C ATOM 3115 CE2 TYR A 234 29.449 14.706 48.882 1.00 14.87 C ATOM 3116 CZ TYR A 234 28.655 15.841 48.974 1.00 16.40 C ATOM 3117 OH TYR A 234 28.819 16.738 50.001 1.00 18.64 O ATOM 0 H TYR A 234 27.974 10.949 47.218 1.00 14.74 H new ATOM 0 HA TYR A 234 26.061 12.558 46.171 1.00 15.40 H new ATOM 0 HB2 TYR A 234 28.875 12.659 45.517 1.00 16.77 H new ATOM 0 HB3 TYR A 234 27.848 13.664 44.910 1.00 16.77 H new ATOM 0 HD1 TYR A 234 26.844 15.385 46.330 1.00 17.63 H new ATOM 0 HD2 TYR A 234 29.795 13.073 47.772 1.00 13.37 H new ATOM 0 HE1 TYR A 234 27.151 16.852 48.083 1.00 19.31 H new ATOM 0 HE2 TYR A 234 30.101 14.537 49.523 1.00 14.87 H new ATOM 0 HH TYR A 234 28.140 17.230 50.055 1.00 18.64 H new ATOM 3127 N VAL A 235 26.645 10.064 44.820 1.00 16.18 N ATOM 3128 CA VAL A 235 26.476 9.245 43.601 1.00 16.08 C ATOM 3129 C VAL A 235 25.217 9.549 42.798 1.00 15.49 C ATOM 3130 O VAL A 235 25.321 9.625 41.587 1.00 11.96 O ATOM 3131 CB VAL A 235 26.572 7.758 44.075 1.00 18.04 C ATOM 3132 CG1 VAL A 235 26.308 6.846 42.866 1.00 21.33 C ATOM 3133 CG2 VAL A 235 28.017 7.448 44.606 1.00 17.05 C ATOM 0 H VAL A 235 26.682 9.622 45.557 1.00 16.18 H new ATOM 0 HA VAL A 235 27.171 9.456 42.959 1.00 16.08 H new ATOM 0 HB VAL A 235 25.925 7.607 44.782 1.00 18.04 H new ATOM 0 HG11 VAL A 235 26.364 5.918 43.142 1.00 21.33 H new ATOM 0 HG12 VAL A 235 25.423 7.025 42.513 1.00 21.33 H new ATOM 0 HG13 VAL A 235 26.971 7.019 42.179 1.00 21.33 H new ATOM 0 HG21 VAL A 235 28.064 6.524 44.897 1.00 17.05 H new ATOM 0 HG22 VAL A 235 28.661 7.596 43.896 1.00 17.05 H new ATOM 0 HG23 VAL A 235 28.220 8.032 45.353 1.00 17.05 H new ATOM 3143 N SER A 236 24.084 9.720 43.426 1.00 16.41 N ATOM 3144 CA SER A 236 22.857 10.017 42.620 1.00 16.28 C ATOM 3145 C SER A 236 23.002 11.426 41.978 1.00 15.88 C ATOM 3146 O SER A 236 22.625 11.594 40.840 1.00 16.08 O ATOM 3147 CB ASER A 236 21.650 9.952 43.574 0.35 14.67 C ATOM 3148 CB BSER A 236 21.596 9.906 43.560 0.40 16.23 C ATOM 3149 OG ASER A 236 21.976 8.872 44.465 0.35 15.68 O ATOM 3150 OG BSER A 236 21.768 10.786 44.669 0.40 17.78 O ATOM 0 H SER A 236 23.973 9.677 44.278 1.00 16.41 H new ATOM 0 HA SER A 236 22.733 9.376 41.903 1.00 16.28 H new ATOM 0 HB2ASER A 236 21.530 10.786 44.054 0.35 16.23 H new ATOM 0 HB2BSER A 236 20.791 10.137 43.070 0.40 16.23 H new ATOM 0 HB3ASER A 236 20.825 9.781 43.093 0.35 16.23 H new ATOM 0 HB3BSER A 236 21.488 8.993 43.870 0.40 16.23 H new ATOM 0 HG ASER A 236 21.357 8.774 45.025 0.35 17.78 H new ATOM 0 HG BSER A 236 21.724 11.582 44.405 0.40 17.78 H new ATOM 3159 N TRP A 237 23.531 12.393 42.696 1.00 15.53 N ATOM 3160 CA TRP A 237 23.708 13.765 42.111 1.00 16.09 C ATOM 3161 C TRP A 237 24.665 13.650 40.913 1.00 14.47 C ATOM 3162 O TRP A 237 24.415 14.212 39.866 1.00 13.60 O ATOM 3163 CB TRP A 237 24.343 14.787 43.161 1.00 16.53 C ATOM 3164 CG TRP A 237 24.674 16.165 42.488 1.00 13.93 C ATOM 3165 CD1 TRP A 237 23.737 17.063 42.013 1.00 14.21 C ATOM 3166 CD2 TRP A 237 25.918 16.666 42.229 1.00 14.13 C ATOM 3167 NE1 TRP A 237 24.482 18.027 41.500 1.00 13.98 N ATOM 3168 CE2 TRP A 237 25.796 17.889 41.577 1.00 14.74 C ATOM 3169 CE3 TRP A 237 27.205 16.193 42.498 1.00 16.59 C ATOM 3170 CZ2 TRP A 237 26.932 18.614 41.200 1.00 16.71 C ATOM 3171 CZ3 TRP A 237 28.345 16.922 42.120 1.00 15.02 C ATOM 3172 CH2 TRP A 237 28.206 18.132 41.471 1.00 14.34 C ATOM 0 H TRP A 237 23.798 12.307 43.509 1.00 15.53 H new ATOM 0 HA TRP A 237 22.836 14.102 41.852 1.00 16.09 H new ATOM 0 HB2 TRP A 237 23.725 14.924 43.896 1.00 16.53 H new ATOM 0 HB3 TRP A 237 25.152 14.406 43.537 1.00 16.53 H new ATOM 0 HD1 TRP A 237 22.809 17.004 42.046 1.00 14.21 H new ATOM 0 HE1 TRP A 237 24.126 18.717 41.130 1.00 13.98 H new ATOM 0 HE3 TRP A 237 27.309 15.379 42.936 1.00 16.59 H new ATOM 0 HZ2 TRP A 237 26.833 19.429 40.763 1.00 16.71 H new ATOM 0 HZ3 TRP A 237 29.193 16.589 42.307 1.00 15.02 H new ATOM 0 HH2 TRP A 237 28.957 18.619 41.218 1.00 14.34 H new ATOM 3183 N ILE A 238 25.739 12.938 41.075 1.00 13.35 N ATOM 3184 CA ILE A 238 26.692 12.801 39.940 1.00 14.24 C ATOM 3185 C ILE A 238 26.001 12.125 38.722 1.00 17.26 C ATOM 3186 O ILE A 238 25.972 12.627 37.606 1.00 15.73 O ATOM 3187 CB ILE A 238 27.920 11.969 40.444 1.00 14.31 C ATOM 3188 CG1 ILE A 238 28.771 12.829 41.471 1.00 15.78 C ATOM 3189 CG2 ILE A 238 28.786 11.499 39.240 1.00 13.42 C ATOM 3190 CD1 ILE A 238 29.893 11.998 42.120 1.00 18.29 C ATOM 0 H ILE A 238 25.958 12.526 41.797 1.00 13.35 H new ATOM 0 HA ILE A 238 26.992 13.673 39.640 1.00 14.24 H new ATOM 0 HB ILE A 238 27.602 11.177 40.905 1.00 14.31 H new ATOM 0 HG12 ILE A 238 29.157 13.592 41.012 1.00 15.78 H new ATOM 0 HG13 ILE A 238 28.187 13.179 42.162 1.00 15.78 H new ATOM 0 HG21 ILE A 238 29.542 10.986 39.566 1.00 13.42 H new ATOM 0 HG22 ILE A 238 28.249 10.945 38.652 1.00 13.42 H new ATOM 0 HG23 ILE A 238 29.108 12.273 38.751 1.00 13.42 H new ATOM 0 HD11 ILE A 238 30.391 12.554 42.740 1.00 18.29 H new ATOM 0 HD12 ILE A 238 29.505 11.248 42.598 1.00 18.29 H new ATOM 0 HD13 ILE A 238 30.491 11.667 41.431 1.00 18.29 H new ATOM 3202 N LYS A 239 25.447 10.976 38.973 1.00 20.02 N ATOM 3203 CA LYS A 239 24.772 10.262 37.855 1.00 20.15 C ATOM 3204 C LYS A 239 23.704 11.069 37.167 1.00 17.74 C ATOM 3205 O LYS A 239 23.629 11.032 35.954 1.00 17.96 O ATOM 3206 CB LYS A 239 24.168 8.957 38.386 1.00 22.83 C ATOM 3207 CG LYS A 239 25.366 8.035 38.727 1.00 27.22 C ATOM 3208 CD LYS A 239 24.863 6.608 39.018 1.00 31.05 C ATOM 3209 CE LYS A 239 26.093 5.665 39.103 1.00 36.40 C ATOM 3210 NZ LYS A 239 25.633 4.275 39.386 1.00 40.42 N ATOM 0 H LYS A 239 25.433 10.581 39.737 1.00 20.02 H new ATOM 0 HA LYS A 239 25.452 10.090 37.185 1.00 20.15 H new ATOM 0 HB2 LYS A 239 23.623 9.122 39.171 1.00 22.83 H new ATOM 0 HB3 LYS A 239 23.592 8.546 37.722 1.00 22.83 H new ATOM 0 HG2 LYS A 239 25.994 8.021 37.988 1.00 27.22 H new ATOM 0 HG3 LYS A 239 25.842 8.382 39.497 1.00 27.22 H new ATOM 0 HD2 LYS A 239 24.364 6.589 39.850 1.00 31.05 H new ATOM 0 HD3 LYS A 239 24.259 6.313 38.318 1.00 31.05 H new ATOM 0 HE2 LYS A 239 26.589 5.689 38.270 1.00 36.40 H new ATOM 0 HE3 LYS A 239 26.696 5.965 39.801 1.00 36.40 H new ATOM 0 HZ1 LYS A 239 26.337 3.733 39.435 1.00 40.42 H new ATOM 0 HZ2 LYS A 239 25.193 4.259 40.159 1.00 40.42 H new ATOM 0 HZ3 LYS A 239 25.094 4.002 38.733 1.00 40.42 H new ATOM 3224 N GLN A 240 22.930 11.760 37.940 1.00 15.59 N ATOM 3225 CA GLN A 240 21.846 12.574 37.351 1.00 18.19 C ATOM 3226 C GLN A 240 22.402 13.773 36.599 1.00 19.51 C ATOM 3227 O GLN A 240 21.915 14.080 35.510 1.00 17.57 O ATOM 3228 CB GLN A 240 20.909 13.000 38.513 1.00 21.03 C ATOM 3229 CG GLN A 240 19.597 13.691 38.058 0.08 18.53 C ATOM 3230 CD GLN A 240 18.512 13.299 39.069 0.08 19.77 C ATOM 3231 OE1 GLN A 240 18.756 13.211 40.254 0.08 18.61 O ATOM 3232 NE2 GLN A 240 17.303 13.053 38.669 0.08 20.53 N ATOM 0 H GLN A 240 22.990 11.791 38.797 1.00 15.59 H new ATOM 0 HA GLN A 240 21.349 12.060 36.696 1.00 18.19 H new ATOM 0 HB2 GLN A 240 20.684 12.215 39.036 1.00 21.03 H new ATOM 0 HB3 GLN A 240 21.393 13.603 39.099 1.00 21.03 H new ATOM 0 HG2 GLN A 240 19.708 14.654 38.030 0.08 18.53 H new ATOM 0 HG3 GLN A 240 19.352 13.407 37.163 0.08 18.53 H new ATOM 0 HE21 GLN A 240 17.107 13.109 37.834 0.08 20.53 H new ATOM 0 HE22 GLN A 240 16.698 12.834 39.239 0.08 20.53 H new ATOM 3241 N THR A 241 23.382 14.399 37.191 1.00 14.59 N ATOM 3242 CA THR A 241 23.995 15.578 36.549 1.00 14.08 C ATOM 3243 C THR A 241 24.675 15.204 35.231 1.00 17.07 C ATOM 3244 O THR A 241 24.474 15.888 34.237 1.00 17.74 O ATOM 3245 CB THR A 241 25.023 16.199 37.523 1.00 15.94 C ATOM 3246 OG1 THR A 241 24.126 16.605 38.541 1.00 17.85 O ATOM 3247 CG2 THR A 241 25.622 17.515 36.977 1.00 14.55 C ATOM 0 H THR A 241 23.718 14.179 37.952 1.00 14.59 H new ATOM 0 HA THR A 241 23.299 16.222 36.345 1.00 14.08 H new ATOM 0 HB THR A 241 25.759 15.604 37.737 1.00 15.94 H new ATOM 0 HG1 THR A 241 24.046 15.989 39.106 1.00 17.85 H new ATOM 0 HG21 THR A 241 26.260 17.870 37.616 1.00 14.55 H new ATOM 0 HG22 THR A 241 26.071 17.341 36.135 1.00 14.55 H new ATOM 0 HG23 THR A 241 24.912 18.160 36.837 1.00 14.55 H new ATOM 3255 N ILE A 242 25.443 14.146 35.208 1.00 16.93 N ATOM 3256 CA ILE A 242 26.087 13.845 33.925 1.00 18.43 C ATOM 3257 C ILE A 242 25.093 13.376 32.872 1.00 17.88 C ATOM 3258 O ILE A 242 25.296 13.661 31.714 1.00 19.19 O ATOM 3259 CB ILE A 242 27.193 12.807 34.184 1.00 19.02 C ATOM 3260 CG1 ILE A 242 26.643 11.474 34.630 1.00 23.41 C ATOM 3261 CG2 ILE A 242 28.178 13.342 35.276 1.00 19.08 C ATOM 3262 CD1 ILE A 242 27.802 10.461 34.684 1.00 26.81 C ATOM 0 H ILE A 242 25.607 13.614 35.863 1.00 16.93 H new ATOM 0 HA ILE A 242 26.476 14.655 33.559 1.00 18.43 H new ATOM 0 HB ILE A 242 27.656 12.671 33.342 1.00 19.02 H new ATOM 0 HG12 ILE A 242 26.226 11.556 35.502 1.00 23.41 H new ATOM 0 HG13 ILE A 242 25.957 11.169 34.015 1.00 23.41 H new ATOM 0 HG21 ILE A 242 28.873 12.684 35.435 1.00 19.08 H new ATOM 0 HG22 ILE A 242 28.581 14.170 34.971 1.00 19.08 H new ATOM 0 HG23 ILE A 242 27.692 13.504 36.099 1.00 19.08 H new ATOM 0 HD11 ILE A 242 27.464 9.598 34.970 1.00 26.81 H new ATOM 0 HD12 ILE A 242 28.200 10.377 33.803 1.00 26.81 H new ATOM 0 HD13 ILE A 242 28.473 10.770 35.313 1.00 26.81 H new ATOM 3274 N ALA A 243 24.052 12.694 33.259 1.00 16.07 N ATOM 3275 CA ALA A 243 23.083 12.225 32.225 1.00 17.47 C ATOM 3276 C ALA A 243 22.269 13.361 31.649 1.00 18.54 C ATOM 3277 O ALA A 243 21.735 13.236 30.562 1.00 18.12 O ATOM 3278 CB ALA A 243 22.091 11.179 32.806 1.00 18.76 C ATOM 0 H ALA A 243 23.866 12.483 34.072 1.00 16.07 H new ATOM 0 HA ALA A 243 23.622 11.824 31.525 1.00 17.47 H new ATOM 0 HB1 ALA A 243 21.476 10.895 32.111 1.00 18.76 H new ATOM 0 HB2 ALA A 243 22.585 10.411 33.134 1.00 18.76 H new ATOM 0 HB3 ALA A 243 21.592 11.577 33.536 1.00 18.76 H new ATOM 3284 N SER A 244 22.192 14.435 32.369 1.00 16.43 N ATOM 3285 CA SER A 244 21.400 15.578 31.859 1.00 19.46 C ATOM 3286 C SER A 244 22.258 16.712 31.305 1.00 19.08 C ATOM 3287 O SER A 244 21.699 17.780 31.078 1.00 22.49 O ATOM 3288 CB SER A 244 20.569 16.109 32.984 1.00 21.76 C ATOM 3289 OG SER A 244 19.990 14.935 33.543 1.00 30.00 O ATOM 0 H SER A 244 22.566 14.551 33.135 1.00 16.43 H new ATOM 0 HA SER A 244 20.858 15.251 31.124 1.00 19.46 H new ATOM 0 HB2 SER A 244 21.108 16.587 33.633 1.00 21.76 H new ATOM 0 HB3 SER A 244 19.892 16.727 32.668 1.00 21.76 H new ATOM 0 HG SER A 244 20.468 14.662 34.178 1.00 30.00 H new ATOM 3295 N ASN A 245 23.524 16.463 31.109 1.00 17.99 N ATOM 3296 CA ASN A 245 24.442 17.505 30.581 1.00 18.80 C ATOM 3297 C ASN A 245 25.420 16.945 29.504 1.00 18.38 C ATOM 3298 O ASN A 245 26.191 17.744 29.012 1.00 20.88 O ATOM 3299 CB ASN A 245 25.216 18.113 31.797 1.00 18.59 C ATOM 3300 CG ASN A 245 24.323 19.048 32.649 1.00 18.05 C ATOM 3301 OD1 ASN A 245 24.088 20.206 32.339 1.00 20.40 O ATOM 3302 ND2 ASN A 245 23.779 18.608 33.745 1.00 17.43 N ATOM 3303 OXT ASN A 245 25.372 15.767 29.213 1.00 19.98 O ATOM 0 H ASN A 245 23.897 15.704 31.268 1.00 17.99 H new ATOM 0 HA ASN A 245 23.927 18.192 30.130 1.00 18.80 H new ATOM 0 HB2 ASN A 245 25.555 17.395 32.355 1.00 18.59 H new ATOM 0 HB3 ASN A 245 25.985 18.608 31.474 1.00 18.59 H new ATOM 0 HD21 ASN A 245 23.279 19.126 34.215 1.00 17.43 H new ATOM 0 HD22 ASN A 245 23.919 17.799 34.000 1.00 17.43 H new TER 3310 ASN A 245 HETATM 3311 CA CA A 247 53.970 14.707 30.979 1.00 29.81 CA HETATM 3312 MG MG A 263 45.616 14.923 43.215 1.00 21.98 MG HETATM 3313 ZN ZN A 409 43.355 22.553 48.018 1.00 23.78 ZN HETATM 3314 ZN ZN A 410 45.973 27.329 50.110 0.53 27.25 ZN HETATM 3315 ZN ZN A 411 45.838 24.610 52.763 0.75 30.83 ZN HETATM 3316 C1 BAH A 246 45.248 19.443 52.772 1.00 21.70 C HETATM 3317 C2 BAH A 246 44.645 18.965 51.568 1.00 19.09 C HETATM 3318 C3 BAH A 246 44.193 19.821 50.560 1.00 20.70 C HETATM 3319 C4 BAH A 246 44.345 21.169 50.782 1.00 23.15 C HETATM 3320 C5 BAH A 246 44.918 21.649 51.909 1.00 21.80 C HETATM 3321 C6 BAH A 246 45.373 20.845 52.923 1.00 21.17 C HETATM 3322 C7 BAH A 246 45.675 18.569 53.780 1.00 21.42 C HETATM 3323 C8 BAH A 246 44.368 23.258 50.676 1.00 25.32 C HETATM 3324 C9 BAH A 246 44.150 24.761 50.167 1.00 30.28 C HETATM 3325 N1 BAH A 246 46.431 19.016 54.743 1.00 21.04 N HETATM 3326 N2 BAH A 246 45.295 17.316 53.739 1.00 22.97 N HETATM 3327 N3 BAH A 246 44.009 22.177 50.010 1.00 23.21 N HETATM 3328 N4 BAH A 246 44.923 22.945 51.833 1.00 25.46 N HETATM 3329 C1' BAH A 246 46.263 26.371 44.725 0.61 35.10 C HETATM 3330 C2' BAH A 246 45.513 25.192 44.408 0.61 33.43 C HETATM 3331 C3' BAH A 246 44.818 24.432 45.357 0.61 31.91 C HETATM 3332 C4' BAH A 246 44.880 24.877 46.650 0.61 30.60 C HETATM 3333 C5' BAH A 246 45.565 25.988 47.020 0.61 29.49 C HETATM 3334 C6' BAH A 246 46.275 26.768 46.102 0.61 32.51 C HETATM 3335 C7' BAH A 246 46.955 27.081 43.704 0.61 38.90 C HETATM 3336 C8' BAH A 246 44.651 25.095 48.696 0.61 28.31 C HETATM 3337 N1' BAH A 246 47.601 28.189 43.959 0.61 39.83 N HETATM 3338 N2' BAH A 246 46.946 26.617 42.481 0.61 41.28 N HETATM 3339 N3' BAH A 246 44.318 24.338 47.691 0.61 28.39 N HETATM 3340 N4' BAH A 246 45.410 26.111 48.309 0.61 28.85 N HETATM 3341 O91 BAH A 246 44.734 25.645 51.116 1.00 31.05 O HETATM 3342 O92 BAH A 246 42.768 25.084 50.158 1.00 30.71 O HETATM 0 HN22 BAH A 246 45.550 16.769 54.352 1.00 22.97 H new HETATM 0 HN21 BAH A 246 44.790 17.040 53.099 1.00 22.97 H new HETATM 0 HN12 BAH A 246 46.696 18.484 55.364 1.00 21.04 H new HETATM 0 HN11 BAH A 246 46.665 19.843 54.757 1.00 21.04 H new HETATM 0 HC6' BAH A 246 46.762 27.556 46.389 0.61 32.51 H new HETATM 0 HC3' BAH A 246 44.321 23.636 45.112 0.61 31.91 H new HETATM 0 HC2' BAH A 246 45.485 24.903 43.482 0.61 33.43 H new HETATM 0 H2'2 BAH A 246 47.361 27.040 41.858 0.61 41.28 H new HETATM 0 H2'1 BAH A 246 46.525 25.889 42.300 0.61 41.28 H new HETATM 0 H1'2 BAH A 246 48.013 28.602 43.327 0.61 39.83 H new HETATM 0 H1'1 BAH A 246 47.614 28.505 44.759 0.61 39.83 H new HETATM 0 HC6 BAH A 246 45.770 21.227 53.722 1.00 21.17 H new HETATM 0 HC3 BAH A 246 43.792 19.481 49.745 1.00 20.70 H new HETATM 0 HC2 BAH A 246 44.545 18.008 51.445 1.00 19.09 H new HETATM 0 H92 BAH A 246 42.347 24.528 50.627 1.00 30.71 H new HETATM 3358 S DMS A 333 37.642 25.192 56.257 1.00 58.91 S HETATM 3359 O DMS A 333 37.242 26.366 56.310 1.00 59.49 O HETATM 3360 C1 DMS A 333 39.451 25.188 56.435 1.00 54.69 C HETATM 3361 C2 DMS A 333 36.950 24.251 57.642 1.00 51.97 C HETATM 0 H23 DMS A 333 37.511 23.481 57.823 1.00 51.97 H new HETATM 0 H22 DMS A 333 36.912 24.815 58.430 1.00 51.97 H new HETATM 0 H21 DMS A 333 36.055 23.953 57.416 1.00 51.97 H new HETATM 0 H13 DMS A 333 39.795 24.306 56.224 1.00 54.69 H new HETATM 0 H12 DMS A 333 39.837 25.839 55.829 1.00 54.69 H new HETATM 0 H11 DMS A 333 39.687 25.417 57.348 1.00 54.69 H new HETATM 3368 O HOH A 248 38.803 13.212 42.584 1.00 20.22 O HETATM 3371 O HOH A 249 34.914 18.770 52.393 1.00 23.06 O HETATM 3374 O HOH A 250 47.471 16.845 42.058 1.00 15.30 O HETATM 3377 O HOH A 251 54.997 8.547 39.525 1.00 17.04 O HETATM 3380 O HOH A 252 48.181 18.781 58.608 1.00 30.22 O HETATM 3383 O HOH A 253 55.806 12.510 49.175 1.00 28.71 O HETATM 3386 O HOH A 254 52.742 15.260 45.750 1.00 20.03 O HETATM 3389 O HOH A 255 49.407 20.114 34.300 1.00 20.53 O HETATM 3392 O HOH A 256 52.392 5.177 51.701 1.00 28.59 O HETATM 3395 O HOH A 257 36.567 10.075 59.499 1.00 18.56 O HETATM 3398 O HOH A 258 48.247 7.706 33.744 1.00 25.44 O HETATM 3401 O HOH A 259 42.084 13.702 67.391 1.00 43.36 O HETATM 3404 O HOH A 260 48.246 14.989 58.863 1.00 31.23 O HETATM 3407 O HOH A 261 51.832 8.701 36.498 1.00 28.94 O HETATM 3410 O HOH A 262 52.082 24.028 32.427 1.00 24.06 O HETATM 3413 O HOH A 264 32.226 18.092 51.844 1.00 15.91 O HETATM 3416 O HOH A 265 45.678 12.260 54.717 1.00 20.46 O HETATM 3419 O HOH A 266 47.361 12.616 57.992 1.00 23.55 O HETATM 3422 O HOH A 267 52.872 10.696 29.820 1.00 20.64 O HETATM 3425 O HOH A 268 51.333 18.991 32.521 1.00 16.56 O HETATM 3428 O HOH A 269 47.040 12.843 34.207 1.00 17.83 O HETATM 3431 O HOH A 270 47.950 9.801 35.418 1.00 22.84 O HETATM 3434 O HOH A 271 53.256 16.883 30.187 1.00 20.47 O HETATM 3437 O HOH A 272 30.798 26.151 32.670 1.00 21.23 O HETATM 3440 O HOH A 273 27.170 13.560 29.364 1.00 28.41 O HETATM 3443 O HOH A 274 52.842 23.107 36.254 1.00 22.57 O HETATM 3446 O HOH A 275 45.187 9.674 33.564 1.00 28.01 O HETATM 3449 O HOH A 276 49.369 7.526 36.837 1.00 25.83 O HETATM 3452 O HOH A 277 57.371 8.344 38.312 1.00 27.50 O HETATM 3455 O HOH A 278 31.046 29.627 46.186 1.00 21.51 O HETATM 3458 O HOH A 279 29.919 28.736 48.497 1.00 28.44 O HETATM 3461 O HOH A 280 44.568 7.343 43.997 1.00 20.17 O HETATM 3464 O HOH A 281 32.676 8.078 50.214 1.00 15.09 O HETATM 3467 O HOH A 282 33.712 22.971 58.095 1.00 20.29 O HETATM 3470 O HOH A 283 33.361 18.271 63.881 1.00 27.14 O HETATM 3473 O HOH A 284 41.467 3.909 61.262 1.00 33.12 O HETATM 3476 O HOH A 285 41.668 6.858 65.087 1.00 53.88 O HETATM 3479 O HOH A 286 33.024 6.290 28.937 1.00 24.63 O HETATM 3482 O HOH A 287 54.123 22.289 33.598 1.00 34.02 O HETATM 3485 O HOH A 288 59.701 7.166 46.126 1.00 42.62 O HETATM 3488 O HOH A 289 46.739 25.409 29.244 1.00 47.89 O HETATM 3491 O HOH A 290 46.403 5.892 60.773 1.00 33.32 O HETATM 3494 O HOH A 291 41.772 -0.123 45.214 1.00 32.33 O HETATM 3497 O HOH A 292 33.267 6.927 52.686 1.00 54.09 O HETATM 3500 O HOH A 293 41.022 -2.202 43.420 1.00 34.22 O HETATM 3503 O HOH A 294 27.454 10.520 30.334 1.00 25.32 O HETATM 3506 O HOH A 295 27.704 13.957 26.130 1.00 35.08 O HETATM 3509 O HOH A 296 43.818 0.332 33.894 1.00 64.11 O HETATM 3512 O HOH A 297 34.852 7.183 59.240 1.00 54.04 O HETATM 3515 O HOH A 298 39.712 27.777 62.720 1.00 36.63 O HETATM 3518 O AHOH A 299 54.355 19.400 29.528 0.50 19.50 O HETATM 3521 O HOH A 300 25.446 9.027 31.765 1.00 22.97 O HETATM 3524 O HOH A 301 35.199 1.279 49.112 1.00 37.67 O HETATM 3527 O HOH A 302 54.707 6.499 52.205 1.00 59.07 O HETATM 3530 O HOH A 303 44.245 18.122 71.408 1.00 78.01 O HETATM 3533 O HOH A 304 32.483 9.966 57.467 1.00 54.05 O HETATM 3536 O HOH A 305 31.096 23.050 59.078 1.00 41.40 O HETATM 3539 O HOH A 306 40.366 5.096 63.449 1.00 36.51 O HETATM 3542 O HOH A 307 29.426 7.152 34.866 1.00 40.14 O HETATM 3545 O HOH A 308 51.114 15.813 23.242 1.00 57.23 O HETATM 3548 O HOH A 309 53.995 12.437 31.494 1.00 20.79 O HETATM 3551 O HOH A 310 24.702 8.607 34.528 1.00 29.07 O HETATM 3554 O HOH A 311 58.379 5.957 37.419 1.00 57.44 O HETATM 3557 O HOH A 312 44.205 2.486 42.409 1.00 40.16 O HETATM 3560 O HOH A 313 23.999 15.997 46.516 1.00 28.41 O HETATM 3563 O HOH A 314 36.333 27.868 47.179 1.00 32.38 O HETATM 3566 O HOH A 316 57.583 14.069 51.491 1.00 33.79 O HETATM 3569 O HOH A 317 24.681 28.492 52.412 1.00 63.76 O HETATM 3572 O HOH A 318 27.357 24.555 55.150 1.00 46.47 O HETATM 3575 O HOH A 319 53.127 23.463 53.762 1.00 59.91 O HETATM 3578 O HOH A 320 32.916 6.385 62.409 1.00 47.71 O HETATM 3581 O HOH A 321 32.132 28.164 44.238 1.00 27.83 O HETATM 3584 O HOH A 322 32.144 16.101 25.395 1.00 49.81 O HETATM 3587 O HOH A 323 46.775 8.239 26.277 1.00 31.65 O HETATM 3590 O HOH A 324 25.880 3.718 35.306 1.00 69.01 O HETATM 3593 O HOH A 325 42.642 16.389 52.434 1.00 21.47 O HETATM 3596 O HOH A 328 42.229 -1.108 31.995 1.00 54.88 O HETATM 3599 O HOH A 329 37.812 -1.113 35.380 1.00 56.29 O HETATM 3602 O HOH A 330 54.193 8.408 30.084 1.00 48.82 O HETATM 3605 O HOH A 332 40.916 29.728 49.897 1.00 52.04 O HETATM 3608 O HOH A 334 35.128 -1.429 39.591 1.00 49.90 O HETATM 3611 O HOH A 335 36.831 30.452 58.682 1.00 42.51 O HETATM 3614 O HOH A 336 38.080 27.814 49.316 1.00 58.38 O HETATM 3617 O HOH A 337 41.045 23.575 51.528 1.00 33.69 O HETATM 3620 O HOH A 338 26.319 17.231 58.864 1.00 59.52 O HETATM 3623 O HOH A 339 24.915 14.827 61.344 1.00 56.86 O HETATM 3626 O HOH A 340 21.608 17.949 58.946 1.00 53.12 O HETATM 3629 O HOH A 341 27.552 25.028 35.243 1.00 49.21 O HETATM 3632 O HOH A 342 26.316 27.700 32.065 1.00 39.62 O HETATM 3635 O HOH A 343 21.895 21.586 31.993 1.00 41.79 O HETATM 3638 O HOH A 344 36.002 25.718 33.906 1.00 43.60 O HETATM 3641 O HOH A 345 33.542 26.783 29.871 1.00 60.77 O HETATM 3644 O HOH A 346 39.126 31.768 37.176 1.00 49.53 O HETATM 3647 O HOH A 348 31.455 25.114 60.860 1.00 38.24 O HETATM 3650 O HOH A 349 29.836 27.557 60.179 1.00 38.01 O HETATM 3653 O HOH A 350 55.689 16.731 21.608 1.00 49.03 O HETATM 3656 O HOH A 351 36.836 29.958 55.634 1.00 30.81 O HETATM 3659 O HOH A 352 34.582 26.610 62.989 1.00 69.36 O HETATM 3662 O HOH A 355 51.276 -2.150 29.536 1.00 48.25 O HETATM 3665 O HOH A 356 46.470 -0.386 25.357 1.00 62.02 O HETATM 3668 O HOH A 357 40.692 2.245 37.105 1.00 46.17 O HETATM 3671 O HOH A 358 38.507 2.828 31.764 1.00 31.09 O HETATM 3674 O HOH A 359 56.818 8.187 54.715 1.00 43.14 O HETATM 3677 O HOH A 361 30.856 4.320 32.951 1.00 67.08 O HETATM 3680 O HOH A 362 30.670 3.835 38.175 1.00 41.20 O HETATM 3683 O AHOH A 363 48.824 26.144 58.094 0.50 30.29 O HETATM 3686 O HOH A 364 44.356 3.898 61.620 1.00 52.17 O HETATM 3689 O HOH A 365 59.949 15.361 41.169 1.00 46.51 O HETATM 3692 O HOH A 366 42.678 27.602 44.953 1.00 53.55 O HETATM 3695 O HOH A 367 42.990 27.221 42.352 1.00 41.37 O HETATM 3698 O HOH A 368 17.404 10.210 43.482 1.00 70.33 O HETATM 3701 O HOH A 369 25.181 9.144 65.558 1.00 76.74 O HETATM 3704 O HOH A 370 48.424 4.287 61.850 1.00 51.91 O HETATM 3707 O HOH A 373 37.762 -1.925 58.342 1.00 30.22 O HETATM 3710 O HOH A 374 41.014 -1.843 53.140 1.00 56.07 O HETATM 3713 O HOH A 375 61.543 6.436 51.371 1.00 41.13 O HETATM 3716 O HOH A 376 23.536 12.556 45.725 1.00 32.66 O HETATM 3719 O HOH A 377 59.406 8.640 54.333 0.50 44.55 O HETATM 3722 O HOH A 378 45.341 17.905 57.450 1.00 39.21 O HETATM 3725 O HOH A 379 55.124 4.168 54.692 1.00 58.21 O HETATM 3728 O HOH A 380 44.805 -2.024 71.077 1.00 28.41 O HETATM 3731 O HOH A 381 41.694 -1.412 71.643 1.00 28.04 O HETATM 3734 O HOH A 382 31.336 29.999 60.851 1.00 53.92 O HETATM 3737 O HOH A 383 57.723 29.500 59.049 1.00 58.76 O HETATM 3740 O HOH A 384 40.743 -1.784 50.116 1.00 63.24 O HETATM 3743 O HOH A 385 25.931 7.313 54.655 1.00 52.24 O HETATM 3746 O HOH A 386 58.695 12.310 54.690 1.00 54.71 O HETATM 3749 O HOH A 387 58.697 10.889 51.591 1.00 50.03 O HETATM 3752 O HOH A 390 30.879 13.140 59.749 1.00 51.85 O HETATM 3755 O HOH A 392 57.095 13.148 56.867 1.00 55.59 O HETATM 3758 O HOH A 393 48.103 23.427 25.869 1.00 62.05 O HETATM 3761 O HOH A 394 65.599 16.771 32.514 1.00 58.40 O HETATM 3764 O HOH A 395 62.333 19.951 28.793 1.00 30.35 O HETATM 3767 O HOH A 396 32.880 5.740 36.936 1.00 43.66 O HETATM 3770 O HOH A 397 34.798 25.725 59.315 1.00 38.92 O HETATM 3773 O HOH A 398 59.984 7.497 35.149 1.00 43.48 O HETATM 3776 O HOH A 399 48.156 28.905 50.879 1.00 51.87 O HETATM 3779 O HOH A 400 24.440 20.379 53.015 1.00 64.04 O HETATM 3782 O HOH A 401 22.922 30.931 59.477 1.00 43.08 O HETATM 3785 O HOH A 402 16.724 17.636 46.294 1.00 60.42 O HETATM 3788 O HOH A 403 58.256 13.030 48.177 1.00 51.67 O HETATM 3791 O HOH A 404 18.117 32.369 60.114 1.00 46.56 O HETATM 3794 O HOH A 405 61.523 12.116 38.745 1.00 57.09 O HETATM 3797 O HOH A 406 17.478 24.630 60.077 1.00 39.76 O HETATM 3800 O HOH A 407 19.788 33.076 58.173 1.00 65.13 O HETATM 3803 O HOH A 408 57.303 12.662 23.812 1.00 61.46 O HETATM 3806 O HOH A 413 44.845 29.852 53.002 1.00 60.20 O HETATM 3809 O HOH A 414 44.943 25.552 54.691 1.00 49.52 O HETATM 3812 O HOH A 415 46.673 28.972 48.156 1.00 69.10 O HETATM 3815 O HOH A 416 37.962 27.924 60.179 1.00 63.12 O HETATM 3818 O HOH A 417 33.998 28.844 58.757 1.00 55.74 O HETATM 3821 O HOH A 418 51.287 29.062 50.118 1.00 71.02 O HETATM 3824 O HOH A 423 26.547 -0.517 39.123 1.00 60.12 O HETATM 3827 O HOH A 425 47.106 3.987 64.409 1.00 66.17 O HETATM 3830 O HOH A 427 47.615 7.728 68.055 1.00 51.17 O HETATM 3833 O HOH A 429 36.835 5.432 67.992 1.00 55.48 O HETATM 3836 O HOH A 430 47.620 18.730 70.268 1.00 62.12 O HETATM 3839 O HOH A 431 41.791 16.210 71.621 1.00 60.37 O HETATM 3842 O HOH A 432 41.727 18.862 69.161 1.00 65.07 O HETATM 3845 O HOH A 434 42.356 3.257 69.494 1.00 62.38 O HETATM 3848 O HOH A 435 42.297 2.513 66.439 1.00 65.08 O HETATM 3851 O HOH A 436 44.353 21.105 69.444 1.00 61.08 O HETATM 3854 O HOH A 437 59.816 5.283 48.751 1.00 59.41 O HETATM 3857 O HOH A 439 22.503 30.726 56.131 1.00 61.72 O HETATM 3860 O HOH A 440 20.342 29.805 59.202 1.00 46.66 O HETATM 3863 O HOH A 441 20.408 28.883 53.660 1.00 82.59 O HETATM 3866 O HOH A 442 21.853 24.021 51.523 1.00 46.59 O HETATM 3869 O HOH A 443 18.914 27.180 55.218 1.00 62.14 O HETATM 3872 O HOH A 444 20.945 24.625 54.764 1.00 64.77 O HETATM 3875 O HOH A 445 35.652 30.882 43.560 1.00 64.90 O HETATM 3878 O HOH A 446 41.152 31.470 34.973 1.00 58.99 O HETATM 3881 O HOH A 447 44.502 28.810 30.627 1.00 56.72 O HETATM 3884 O HOH A 448 23.386 24.817 30.904 1.00 65.84 O HETATM 3887 O HOH A 449 33.541 6.454 65.254 1.00 59.38 O HETATM 3890 O HOH A 451 61.858 1.732 34.267 1.00 58.10 O HETATM 3893 O HOH A 452 48.062 24.266 52.511 1.00 40.01 O HETATM 3896 O HOH A 453 60.871 13.292 43.196 1.00 50.80 O HETATM 3899 O HOH A 455 60.428 11.421 48.126 1.00 65.05 O HETATM 3902 O HOH A 456 63.088 9.435 47.190 1.00 47.52 O HETATM 3905 O HOH A 457 62.669 14.138 50.499 1.00 53.07 O HETATM 3908 O HOH A 458 54.901 17.182 70.397 1.00 54.70 O HETATM 3911 O HOH A 466 28.281 29.892 56.718 1.00 61.56 O HETATM 3914 O HOH A 471 36.731 30.675 29.897 1.00 52.30 O HETATM 3917 O BHOH A 479 54.331 21.406 30.458 0.50 54.63 O HETATM 3920 O HOH A 489 25.102 23.369 33.521 1.00 51.32 O HETATM 3923 O HOH A 490 57.501 -4.498 68.867 1.00 53.30 O HETATM 3926 O HOH A 500 65.346 3.405 26.608 1.00 48.97 O HETATM 3929 O HOH A 501 24.276 9.166 46.437 1.00 49.56 O HETATM 3932 O HOH A 505 47.993 1.600 34.118 1.00 55.92 O HETATM 3935 O HOH A 508 38.443 10.417 73.937 1.00 57.66 O HETATM 3938 O HOH A 512 26.591 22.505 58.096 1.00 39.63 O HETATM 3941 O HOH A 519 34.499 -4.704 41.796 1.00 50.33 O HETATM 3944 O HOH A 520 18.288 13.051 45.776 1.00 66.66 O HETATM 3947 O HOH A 523 46.074 2.164 40.463 1.00 49.78 O HETATM 3950 O HOH A 524 49.588 9.532 21.427 1.00 64.77 O HETATM 3953 O HOH A 527 69.784 7.899 36.576 1.00 49.72 O HETATM 3956 O HOH A 528 25.990 35.902 54.312 1.00 61.60 O HETATM 3959 O HOH A 529 38.048 -0.611 72.361 1.00 52.52 O HETATM 3962 O HOH A 532 46.743 30.783 44.024 1.00 57.26 O HETATM 3965 O HOH A 533 39.956 14.183 22.630 1.00 44.41 O HETATM 3968 O HOH A 536 32.178 32.054 47.758 1.00 47.03 O HETATM 3971 O HOH A 538 23.167 5.763 43.650 1.00 54.94 O HETATM 3974 O HOH A 542 34.084 1.413 62.183 1.00 43.63 O HETATM 3977 O HOH A 547 32.633 5.549 58.943 1.00 47.85 O HETATM 3980 O BHOH A 550 24.503 7.090 49.821 0.50 59.46 O HETATM 3983 O HOH A 553 23.745 34.533 58.618 1.00 45.94 O HETATM 3986 O HOH A 579 37.138 11.953 20.973 1.00 66.53 O CONECT 92 2067 CONECT 200 3312 CONECT 361 595 CONECT 582 3313 CONECT 595 361 CONECT 793 3311 CONECT 816 3311 CONECT 863 3311 CONECT 936 3311 CONECT 1683 3087 CONECT 1762 2694 CONECT 1808 3312 CONECT 2067 92 CONECT 2225 2437 CONECT 2437 2225 CONECT 2578 2882 CONECT 2610 3312 CONECT 2624 3313 CONECT 2694 1762 CONECT 2882 2578 CONECT 3087 1683 CONECT 3311 793 816 863 936 CONECT 3311 3434 3548 CONECT 3312 200 1808 2610 3374 CONECT 3313 582 2624 3327 3339 CONECT 3314 3340 3341 3812 CONECT 3315 3328 3341 3809 3893 CONECT 3316 3317 3321 3322 CONECT 3317 3316 3318 3343 CONECT 3318 3317 3319 3344 CONECT 3319 3318 3320 3327 CONECT 3320 3319 3321 3328 CONECT 3321 3316 3320 3345 CONECT 3322 3316 3325 3326 CONECT 3323 3324 3327 3328 CONECT 3324 3323 3336 3341 3342 CONECT 3325 3322 3346 3347 CONECT 3326 3322 3348 3349 CONECT 3327 3313 3319 3323 CONECT 3328 3315 3320 3323 CONECT 3329 3330 3334 3335 CONECT 3330 3329 3331 3350 CONECT 3331 3330 3332 3351 CONECT 3332 3331 3333 3339 CONECT 3333 3332 3334 3340 CONECT 3334 3329 3333 3352 CONECT 3335 3329 3337 3338 CONECT 3336 3324 3339 3340 CONECT 3337 3335 3353 3354 CONECT 3338 3335 3355 3356 CONECT 3339 3313 3332 3336 CONECT 3340 3314 3333 3336 CONECT 3341 3314 3315 3324 CONECT 3342 3324 3357 CONECT 3343 3317 CONECT 3344 3318 CONECT 3345 3321 CONECT 3346 3325 CONECT 3347 3325 CONECT 3348 3326 CONECT 3349 3326 CONECT 3350 3330 CONECT 3351 3331 CONECT 3352 3334 CONECT 3353 3337 CONECT 3354 3337 CONECT 3355 3338 CONECT 3356 3338 CONECT 3357 3342 CONECT 3358 3359 3360 3361 CONECT 3359 3358 CONECT 3360 3358 3362 3363 3364 CONECT 3361 3358 3365 3366 3367 CONECT 3362 3360 CONECT 3363 3360 CONECT 3364 3360 CONECT 3365 3361 CONECT 3366 3361 CONECT 3367 3361 CONECT 3374 3312 CONECT 3434 3311 CONECT 3548 3311 CONECT 3809 3315 CONECT 3812 3314 CONECT 3893 3315 END