USER MOD reduce.3.24.130724 H: found=0, std=0, add=1659, rem=0, adj=73 USER MOD reduce.3.24.130724 removed 2090 hydrogens (434 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2L 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 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, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.A.KATZ,C.LUONG REVDAT 4 02-MAR-10 1C2L 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2L 1 VERSN REVDAT 2 26-SEP-01 1C2L 3 ATOM REVDAT 1 26-JUL-00 1C2L 0 JRNL AUTH B.A.KATZ,J.M.CLARK,J.S.FINER-MOORE,T.E.JENKINS, JRNL AUTH 2 C.R.JOHNSON,M.J.ROSS,C.LUONG,W.R.MOORE,R.M.STROUD JRNL TITL DESIGN OF POTENT SELECTIVE ZINC-MEDIATED SERINE JRNL TITL 2 PROTEASE INHIBITORS. JRNL REF NATURE V. 391 608 1998 JRNL REFN ISSN 0028-0836 JRNL PMID 9468142 JRNL DOI 10.1038/35422 REMARK 2 REMARK 2 RESOLUTION. 1.50 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) : 1.50 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) (%) : 68.0 REMARK 3 NUMBER OF REFLECTIONS : 20971 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) : 0.195 REMARK 3 FREE R VALUE : 0.224 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2090 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) : 1.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.57 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 32.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1811 REMARK 3 BIN R VALUE (WORKING SET) : 0.4070 REMARK 3 BIN FREE R VALUE : 0.4480 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 181 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 : 3320 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 651 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) : 3.80 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.54 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_TRZNCL486.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_TRZNCL486.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 1C2L 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 RCSB001258. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 08-MAR-98 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 4.86 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 : 23452 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.330 REMARK 200 RESOLUTION RANGE LOW (A) : 35.880 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 68.0 REMARK 200 DATA REDUNDANCY : 1.900 REMARK 200 R MERGE (I) : 0.08100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 9.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.57 REMARK 200 COMPLETENESS FOR SHELL (%) : 32.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.27400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER PLUS REMARK 200 REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR, QUANTA, INSIGHTII REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE REMARK 280 GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR P2(1) 2(1) 2(1) REMARK 280 (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, REMARK 280 1990) A CRYSTAL WAS SOAKED FOR 25 DAYS IN 2.11 M ZN+2, 250 MM REMARK 280 CL-, PH 4.86 IN THE ABSENCE OF AN INHIBITOR. THIS SOLUTION WAS REMARK 280 REPLACED ONCE EVERY DAY OR TWO TO REMOVE BOUND BENZAMIDINE AND REMARK 280 TO INCORPORATE ZN+2 AT THE ACTIVE SITE. 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 36.35667 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 72.71333 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 72.71333 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 36.35667 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 HIS91 IS MONOPROTONATED ON THE EPSILON NITROGEN. REMARK 400 HIS40 IS ESENTIALLY ALL MONOPROTONATED ON ND1, REMARK 400 COORDINATING ZN+2 THROUGH NE2. REMARK 400 HIS57 HAS A MONOPROTONATED COMPONENT (PROTON ON ND1), REMARK 400 COORDINATING ZN+2 THROUGH NE2, AND A DIPROTONATED REMARK 400 COMPONENT (NOT RESOLVED). REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OG SER A 49 H2 HOH A 286 1.49 REMARK 500 O ALA A 183 H1 HOH A 265 1.49 REMARK 500 HD21 ASN A 48 H GLN A 50 1.49 REMARK 500 OG1 THR A 125 H2 HOH A 298 1.52 REMARK 500 O TRP A 141 H2 HOH A 740 1.55 REMARK 500 O ILE A 73 H1 HOH A 268 1.58 REMARK 500 HD22 ASN A 48 HD1 TRP A 51 1.58 REMARK 500 HH12 ARG A 66 H2 HOH A 268 1.59 REMARK 500 OG1 THR A 26 H2 HOH A 791 1.59 REMARK 500 O ILE A 242 H1 HOH A 273 1.59 REMARK 500 O LYS A 224 H2 HOH A 260 1.60 REMARK 500 OG SER A 116 H1 HOH A 356 1.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O CYS A 22 H1 HOH A 355 5555 1.51 REMARK 500 OG SER A 96 H1 HOH A 373 4656 1.57 REMARK 500 OE1 GLN A 81 H1 HOH A 401 3664 1.58 REMARK 500 HE ARG A 117 H2 HOH A 646 5555 1.58 REMARK 500 REMARK 500 REMARK: NULL 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 91 NE2 HIS A 91 CD2 -0.083 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 TYR A 39 CB - CG - CD1 ANGL. DEV. = -3.8 DEGREES REMARK 500 TRP A 51 CG - CD1 - NE1 ANGL. DEV. = -6.0 DEGREES REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CZ2 ANGL. DEV. = 8.5 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 ARG A 117 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 6.8 DEGREES REMARK 500 CYS A 182 CA - CB - SG ANGL. DEV. = 7.1 DEGREES REMARK 500 GLY A 193 N - CA - C ANGL. DEV. = -19.6 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.7 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CZ2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 7.6 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 8.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 71 -71.46 -127.03 REMARK 500 ASN A 79 35.97 -94.30 REMARK 500 ASP A 189 169.71 172.48 REMARK 500 ASP A 194 -15.00 -42.90 REMARK 500 ALA A 221A 31.54 28.47 REMARK 500 ASN A 223 16.64 56.11 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 0.11 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 = 5.55 ANGSTROMS REMARK 525 HOH A 342 DISTANCE = 5.76 ANGSTROMS REMARK 525 HOH A 345 DISTANCE = 8.64 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 12.50 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 12.05 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.65 ANGSTROMS REMARK 525 HOH A 397 DISTANCE = 7.02 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.54 ANGSTROMS REMARK 525 HOH A 402 DISTANCE = 6.78 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 13.38 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.16 ANGSTROMS REMARK 525 HOH A 407 DISTANCE = 12.22 ANGSTROMS REMARK 525 HOH A 415 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH A 439 DISTANCE = 8.55 ANGSTROMS REMARK 525 HOH A 440 DISTANCE = 7.63 ANGSTROMS REMARK 525 HOH A 444 DISTANCE = 7.02 ANGSTROMS REMARK 525 HOH A 471 DISTANCE = 6.74 ANGSTROMS REMARK 525 HOH A 490 DISTANCE = 13.67 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 11.05 ANGSTROMS REMARK 525 HOH A 527 DISTANCE = 12.99 ANGSTROMS REMARK 525 HOH A 532 DISTANCE = 6.02 ANGSTROMS REMARK 525 HOH A 553 DISTANCE = 9.03 ANGSTROMS REMARK 525 HOH A 611 DISTANCE = 9.25 ANGSTROMS REMARK 525 HOH A 675 DISTANCE = 5.96 ANGSTROMS REMARK 525 HOH A 734 DISTANCE = 7.17 ANGSTROMS REMARK 525 HOH A 735 DISTANCE = 7.83 ANGSTROMS REMARK 525 HOH A 786 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH A 789 DISTANCE = 7.47 ANGSTROMS REMARK 525 HOH A 808 DISTANCE = 5.31 ANGSTROMS REMARK 525 HOH A 817 DISTANCE = 5.40 ANGSTROMS REMARK 525 HOH A 832 DISTANCE = 9.03 ANGSTROMS REMARK 525 HOH A 835 DISTANCE = 9.12 ANGSTROMS REMARK 525 HOH A 861 DISTANCE = 6.96 ANGSTROMS REMARK 525 HOH A 866 DISTANCE = 5.88 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 157.4 REMARK 620 3 GLU A 80 OE2 105.3 95.4 REMARK 620 4 ASN A 72 O 77.9 83.8 168.0 REMARK 620 5 HOH A 309 O 89.8 103.2 79.0 89.5 REMARK 620 6 HOH A 271 O 76.9 93.0 93.4 98.6 162.6 REMARK 620 N 1 2 3 4 5 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 HOH A 337 O REMARK 620 2 HIS A 57 NE2 96.4 REMARK 620 N 1 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 CL A 250 CL REMARK 620 2 GLY A 193 O 107.6 REMARK 620 3 HOH A 740 O 124.1 107.0 REMARK 620 4 HIS A 40 NE2 90.7 140.4 89.5 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 250 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RELATED ID: 1C2F RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RELATED ID: 1C2E 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 1C2L 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 CL A 250 1 HET ZN A 409 1 HET ZN A 410 1 HETNAM CA CALCIUM ION HETNAM CL CHLORIDE ION HETNAM ZN ZINC ION FORMUL 2 CA CA 2+ FORMUL 3 CL CL 1- FORMUL 4 ZN 2(ZN 2+) FORMUL 6 HOH *217(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 ASN A 245 1 12 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 N LYS A 204 O CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 B 7 GLN A 30 ASN A 34 -1 N VAL A 31 O GLY A 44 SHEET 4 B 7 GLN A 64 LEU A 67 -1 O GLN A 64 N ASN A 34 SHEET 5 B 7 GLN A 81 VAL A 90 -1 O GLN A 81 N LEU A 67 SHEET 6 B 7 MET A 104 LEU A 108 -1 O LEU A 105 N ILE A 89 SHEET 7 B 7 TRP A 51 SER A 54 -1 O VAL A 52 N ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.01 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.02 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.01 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.01 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 2.45 LINK CA CA A 247 O VAL A 75 1555 1555 2.22 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.45 LINK CA CA A 247 O ASN A 72 1555 1555 2.42 LINK CA CA A 247 O HOH A 309 1555 1555 2.33 LINK CA CA A 247 O HOH A 271 1555 1555 2.33 LINK ZN ZN A 409 O HOH A 337 1555 1555 2.35 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.43 LINK ZN ZN A 410 CL CL A 250 1555 1555 2.43 LINK ZN ZN A 410 O GLY A 193 1555 1555 2.37 LINK ZN ZN A 410 O HOH A 740 1555 1555 2.54 LINK ZN ZN A 410 NE2 HIS A 40 1555 1555 2.36 SITE *** AC1 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE *** AC1 6 HOH A 271 HOH A 309 SITE *** AC2 6 HIS A 40 GLY A 140 TRP A 141 ASP A 194 SITE *** AC2 6 HOH A 263 ZN A 410 SITE *** AC3 3 HIS A 57 SER A 195 HOH A 337 SITE *** AC4 5 HIS A 40 GLY A 193 ASP A 194 CL A 250 SITE *** AC4 5 HOH A 740 CRYST1 55.000 55.000 109.070 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 0.009168 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 40 HIS HE2 : A 40 HIS NE2 : A 410 ZNZN :(H bumps) USER MOD Set 1.1: A 190 SER OG A: rot -123:sc= 1.03 USER MOD Set 1.2: A 190 SER OG B: rot -112:sc= 1.02 USER MOD Set 1.3: A 228 TYR OH : rot -30:sc= 1.3 USER MOD Set 2.1: A 164 SER OG : rot 122:sc= 1.51 USER MOD Set 2.2: A 166 SER OG : rot 180:sc= 0.494 USER MOD Set 2.3: A 167 SER OG : rot -100:sc= 0.945 USER MOD Set 3.1: A 144 THR OG1 : rot 180:sc= -0.686 USER MOD Set 3.2: A 145 LYS NZ :NH3+ -158:sc= -0.0319 (180deg=-0.266) USER MOD Set 4.1: A 30 GLN :FLIP amide:sc= 0.994 F(o=-4.1!,f=2.8) USER MOD Set 4.2: A 139 SER OG : rot 98:sc= 1.8 USER MOD Set 5.1: A 101 ASN : amide:sc= 1.12 K(o=0.92,f=-0.87) USER MOD Set 5.2: A 234 TYR OH : rot 17:sc= -0.202! USER MOD Set 6.1: A 100 ASN : amide:sc= 0.773 K(o=2.3,f=-2) USER MOD Set 6.2: A 177 THR OG1 : rot 177:sc= 0.773 USER MOD Set 6.3: A 179 ASN : amide:sc= 0.432 K(o=2.3,f=0.7) USER MOD Set 6.4: A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.5: A 233 ASN : amide:sc= 0.338 K(o=2.3,f=0.84) USER MOD Set 7.1: A 87 LYS NZ A:NH3+ -153:sc= 0.543 (180deg=0) USER MOD Set 7.2: A 245 ASN : amide:sc= 1.19 K(o=1.7,f=-3.6) USER MOD Set 8.1: A 57 HIS : no HE2:sc= -1.14! C(o=-0.48!,f=-9.1!) USER MOD Set 8.2: A 195 SER OG A: rot -146:sc= 0.665 USER MOD Set 9.1: A 37 SER OG : rot -87:sc= 0.488 USER MOD Set 9.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 9.3: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.1: A 21 THR OG1 : rot 180:sc= 0.307 USER MOD Set10.2: A 156 LYS NZ :NH3+ 177:sc= 0.335 (180deg=0) USER MOD Set11.1: A 20 TYR OH : rot 30:sc= -0.402 USER MOD Set11.2: A 159 LYS NZ :NH3+ 177:sc= -0.412 (180deg=-0.0906) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.0094) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -10:sc= 1.08 USER MOD Single : A 32 SER OG : rot -147:sc= 2.01 USER MOD Single : A 34 ASN : amide:sc= 1.28 K(o=1.3,f=-1.1!) USER MOD Single : A 45 SER OG : rot 0:sc= -1.2! USER MOD Single : A 48 ASN :FLIP amide:sc= 0.0315 F(o=-4.8!,f=0.031) USER MOD Single : A 49 SER OG A: rot -111:sc= 1.79 USER MOD Single : A 49 SER OG B: rot -89:sc= -0.247 USER MOD Single : A 50 GLN A: amide:sc= 0.321 X(o=0.32,f=0.56) USER MOD Single : A 50 GLN B: amide:sc= -0.0416 K(o=-0.042,f=-1.1!) USER MOD Single : A 54 SER OG : rot 99:sc= 1.36 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.373 K(o=-0.37,f=-8.7!) USER MOD Single : A 72 ASN : amide:sc= -0.882 K(o=-0.88,f=-12!) USER MOD Single : A 74 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.82) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 1.05 K(o=1.1,f=-4.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00163 USER MOD Single : A 87 LYS NZ B:NH3+ 143:sc= 0.576 (180deg=0.116) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 1 K(o=1,f=-5.7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -30:sc= 1.34 USER MOD Single : A 95 ASN : amide:sc= -0.618 K(o=-0.62,f=-12!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.02) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 104 MET CE :methyl -129:sc= -0.175 (180deg=-1.75) USER MOD Single : A 107 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.15) 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 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.479 K(o=0.48,f=-8.5!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 120 SER OG : rot 180:sc= 0.00292 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -90:sc= 1.07 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 134 THR OG1 : rot 88:sc= 0.803 USER MOD Single : A 135 GLN : amide:sc= -0.982 X(o=-0.98,f=-0.99) USER MOD Single : A 143 ASN : amide:sc= 1.25 K(o=1.2,f=-5.2!) USER MOD Single : A 146 SER OG : rot 81:sc= 0.0937 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 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 : rot 79:sc= 0.979 USER MOD Single : A 172 TYR OH : rot 9:sc= 1.02 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 178 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 184 TYR OH : rot -7:sc= 0.987 USER MOD Single : A 188 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0122) USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 195 SER OG B: rot 99:sc= 0.748 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 :FLIP amide:sc= 1.86 F(o=1.2,f=1.9) USER MOD Single : A 214 SER OG : rot 73:sc= 2.34 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= -0.0899 X(o=-0.09,f=-0.09) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.16) USER MOD Single : A 224 LYS NZ A:NH3+ 177:sc= 1.26 (180deg=1.22) USER MOD Single : A 224 LYS NZ B:NH3+ 152:sc= 0.00164 (180deg=0) USER MOD Single : A 229 THR OG1 : rot -166:sc= 0.69 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 111:sc= 1.07 USER MOD Single : A 236 SER OG B: rot 54:sc= 2.35 USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 241 THR OG1 : rot 90:sc= 0.545 USER MOD Single : A 244 SER OG : rot 90:sc= 0.857 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.982 15.747 48.305 1.00 38.40 N ATOM 2 CA ILE A 16 51.725 14.602 49.219 1.00 40.53 C ATOM 3 C ILE A 16 53.040 14.571 50.018 1.00 43.47 C ATOM 4 O ILE A 16 54.070 14.798 49.406 1.00 37.69 O ATOM 5 CB ILE A 16 51.557 13.237 48.423 0.67 39.92 C ATOM 6 CG1 ILE A 16 50.355 13.193 47.390 0.67 36.63 C ATOM 7 CG2 ILE A 16 51.457 12.015 49.408 0.67 39.81 C ATOM 8 CD1 ILE A 16 48.977 13.093 48.065 0.67 34.55 C ATOM 0 HA ILE A 16 50.915 14.698 49.743 1.00 40.53 H new ATOM 0 HB ILE A 16 52.363 13.176 47.887 0.67 39.92 H new ATOM 0 HG12 ILE A 16 50.381 13.991 46.839 0.67 36.63 H new ATOM 0 HG13 ILE A 16 50.474 12.434 46.797 0.67 36.63 H new ATOM 0 HG21 ILE A 16 51.355 11.196 48.898 0.67 39.81 H new ATOM 0 HG22 ILE A 16 52.264 11.964 49.944 0.67 39.81 H new ATOM 0 HG23 ILE A 16 50.690 12.130 49.990 0.67 39.81 H new ATOM 0 HD11 ILE A 16 48.285 13.070 47.386 0.67 34.55 H new ATOM 0 HD12 ILE A 16 48.935 12.283 48.597 0.67 34.55 H new ATOM 0 HD13 ILE A 16 48.841 13.863 48.639 0.67 34.55 H new ATOM 22 N VAL A 17 52.937 14.292 51.298 1.00 45.32 N ATOM 23 CA VAL A 17 54.124 14.230 52.206 1.00 46.14 C ATOM 24 C VAL A 17 54.152 12.769 52.757 1.00 46.03 C ATOM 25 O VAL A 17 53.109 12.182 53.008 1.00 41.87 O ATOM 26 CB VAL A 17 53.893 15.308 53.324 0.91 46.06 C ATOM 27 CG1 VAL A 17 55.118 15.437 54.249 0.91 46.09 C ATOM 28 CG2 VAL A 17 53.565 16.702 52.713 0.91 46.68 C ATOM 0 H VAL A 17 52.189 14.129 51.689 1.00 45.32 H new ATOM 0 HA VAL A 17 54.976 14.422 51.783 1.00 46.14 H new ATOM 0 HB VAL A 17 53.134 15.005 53.847 0.91 46.06 H new ATOM 0 HG11 VAL A 17 54.943 16.109 54.926 0.91 46.09 H new ATOM 0 HG12 VAL A 17 55.291 14.584 54.677 0.91 46.09 H new ATOM 0 HG13 VAL A 17 55.892 15.699 53.727 0.91 46.09 H new ATOM 0 HG21 VAL A 17 53.428 17.344 53.427 0.91 46.68 H new ATOM 0 HG22 VAL A 17 54.303 16.992 52.154 0.91 46.68 H new ATOM 0 HG23 VAL A 17 52.759 16.639 52.176 0.91 46.68 H new ATOM 38 N GLY A 18 55.346 12.260 52.916 1.00 47.20 N ATOM 39 CA GLY A 18 55.580 10.867 53.431 1.00 48.23 C ATOM 40 C GLY A 18 55.014 9.803 52.464 1.00 48.90 C ATOM 41 O GLY A 18 54.738 8.681 52.867 1.00 49.73 O ATOM 0 H GLY A 18 56.069 12.689 52.736 1.00 47.20 H new ATOM 0 HA2 GLY A 18 56.531 10.722 53.553 1.00 48.23 H new ATOM 0 HA3 GLY A 18 55.164 10.769 54.302 1.00 48.23 H new ATOM 45 N GLY A 19 54.875 10.176 51.213 1.00 46.66 N ATOM 46 CA GLY A 19 54.329 9.246 50.163 1.00 44.65 C ATOM 47 C GLY A 19 55.456 8.726 49.266 1.00 43.12 C ATOM 48 O GLY A 19 56.617 8.991 49.525 1.00 46.50 O ATOM 0 H GLY A 19 55.082 10.958 50.920 1.00 46.66 H new ATOM 0 HA2 GLY A 19 53.877 8.500 50.588 1.00 44.65 H new ATOM 0 HA3 GLY A 19 53.668 9.710 49.625 1.00 44.65 H new ATOM 52 N TYR A 20 55.140 7.999 48.236 1.00 40.61 N ATOM 53 CA TYR A 20 56.204 7.476 47.343 1.00 37.38 C ATOM 54 C TYR A 20 55.860 7.805 45.897 1.00 38.77 C ATOM 55 O TYR A 20 54.803 8.334 45.623 1.00 39.34 O ATOM 56 CB TYR A 20 56.314 5.959 47.590 1.00 35.37 C ATOM 57 CG TYR A 20 54.995 5.212 47.336 1.00 33.66 C ATOM 58 CD1 TYR A 20 54.772 4.619 46.108 1.00 31.75 C ATOM 59 CD2 TYR A 20 54.015 5.105 48.316 1.00 32.83 C ATOM 60 CE1 TYR A 20 53.599 3.933 45.842 1.00 32.50 C ATOM 61 CE2 TYR A 20 52.828 4.414 48.045 1.00 31.79 C ATOM 62 CZ TYR A 20 52.609 3.823 46.797 1.00 33.23 C ATOM 63 OH TYR A 20 51.448 3.131 46.477 1.00 35.04 O ATOM 0 H TYR A 20 54.337 7.784 48.015 1.00 40.61 H new ATOM 0 HA TYR A 20 57.063 7.886 47.528 1.00 37.38 H new ATOM 0 HB2 TYR A 20 57.004 5.592 47.015 1.00 35.37 H new ATOM 0 HB3 TYR A 20 56.596 5.805 48.505 1.00 35.37 H new ATOM 0 HD1 TYR A 20 55.423 4.682 45.447 1.00 31.75 H new ATOM 0 HD2 TYR A 20 54.148 5.492 49.151 1.00 32.83 H new ATOM 0 HE1 TYR A 20 53.477 3.541 45.008 1.00 32.50 H new ATOM 0 HE2 TYR A 20 52.176 4.347 48.705 1.00 31.79 H new ATOM 0 HH TYR A 20 51.625 2.532 45.916 1.00 35.04 H new ATOM 73 N THR A 21 56.733 7.491 44.997 1.00 35.30 N ATOM 74 CA THR A 21 56.459 7.786 43.585 1.00 35.01 C ATOM 75 C THR A 21 55.567 6.645 43.151 0.65 34.66 C ATOM 76 O THR A 21 55.949 5.495 43.239 0.65 37.24 O ATOM 77 CB THR A 21 57.818 7.818 42.904 1.00 33.10 C ATOM 78 OG1 THR A 21 58.555 8.784 43.663 1.00 32.42 O ATOM 79 CG2 THR A 21 57.751 8.313 41.441 1.00 32.66 C ATOM 0 H THR A 21 57.488 7.111 45.154 1.00 35.30 H new ATOM 0 HA THR A 21 56.018 8.626 43.381 1.00 35.01 H new ATOM 0 HB THR A 21 58.204 6.929 42.875 1.00 33.10 H new ATOM 0 HG1 THR A 21 59.329 8.859 43.345 1.00 32.42 H new ATOM 0 HG21 THR A 21 58.642 8.313 41.058 1.00 32.66 H new ATOM 0 HG22 THR A 21 57.178 7.724 40.926 1.00 32.66 H new ATOM 0 HG23 THR A 21 57.391 9.213 41.420 1.00 32.66 H new ATOM 87 N CYS A 22 54.400 6.977 42.707 0.62 34.96 N ATOM 88 CA CYS A 22 53.477 5.913 42.273 0.62 35.63 C ATOM 89 C CYS A 22 54.080 5.088 41.169 0.62 41.61 C ATOM 90 O CYS A 22 54.151 3.879 41.236 0.62 43.64 O ATOM 91 CB CYS A 22 52.241 6.529 41.770 1.00 32.70 C ATOM 92 SG CYS A 22 51.462 7.733 42.827 1.00 28.17 S ATOM 0 H CYS A 22 54.103 7.781 42.639 0.62 34.96 H new ATOM 0 HA CYS A 22 53.296 5.337 43.032 0.62 35.63 H new ATOM 0 HB2 CYS A 22 52.438 6.954 40.920 1.00 32.70 H new ATOM 0 HB3 CYS A 22 51.601 5.822 41.592 1.00 32.70 H new ATOM 97 N GLY A 23 54.481 5.780 40.161 0.76 44.37 N ATOM 98 CA GLY A 23 55.096 5.145 38.979 0.76 47.76 C ATOM 99 C GLY A 23 54.347 5.784 37.825 0.76 49.70 C ATOM 100 O GLY A 23 53.217 6.232 37.965 0.76 48.84 O ATOM 0 H GLY A 23 54.418 6.636 40.112 0.76 44.37 H new ATOM 0 HA2 GLY A 23 56.049 5.321 38.931 0.76 47.76 H new ATOM 0 HA3 GLY A 23 54.986 4.181 38.990 0.76 47.76 H new ATOM 104 N ALA A 24 54.997 5.796 36.699 0.33 50.40 N ATOM 105 CA ALA A 24 54.367 6.404 35.510 0.33 52.64 C ATOM 106 C ALA A 24 53.103 5.683 35.111 0.33 53.04 C ATOM 107 O ALA A 24 53.162 4.558 34.661 0.33 54.59 O ATOM 108 CB ALA A 24 55.307 6.365 34.302 0.33 53.32 C ATOM 0 H ALA A 24 55.785 5.473 36.578 0.33 50.40 H new ATOM 0 HA ALA A 24 54.164 7.319 35.758 0.33 52.64 H new ATOM 0 HB1 ALA A 24 54.869 6.770 33.537 0.33 53.32 H new ATOM 0 HB2 ALA A 24 56.118 6.856 34.507 0.33 53.32 H new ATOM 0 HB3 ALA A 24 55.531 5.444 34.096 0.33 53.32 H new ATOM 114 N ASN A 25 52.006 6.355 35.296 0.68 53.07 N ATOM 115 CA ASN A 25 50.666 5.805 34.940 0.68 51.57 C ATOM 116 C ASN A 25 50.201 4.572 35.757 0.68 48.61 C ATOM 117 O ASN A 25 49.748 3.600 35.185 0.68 45.47 O ATOM 118 CB ASN A 25 50.670 5.454 33.378 0.48 53.80 C ATOM 119 CG ASN A 25 51.195 6.581 32.454 0.48 53.06 C ATOM 120 OD1 ASN A 25 50.575 7.611 32.278 0.48 53.86 O ATOM 121 ND2 ASN A 25 52.327 6.459 31.830 0.48 52.81 N ATOM 0 H ASN A 25 51.983 7.147 35.630 0.68 53.07 H new ATOM 0 HA ASN A 25 50.023 6.496 35.165 0.68 51.57 H new ATOM 0 HB2 ASN A 25 51.213 4.662 33.240 0.48 53.80 H new ATOM 0 HB3 ASN A 25 49.766 5.229 33.109 0.48 53.80 H new ATOM 0 HD21 ASN A 25 52.607 7.092 31.319 0.48 52.81 H new ATOM 0 HD22 ASN A 25 52.797 5.745 31.927 0.48 52.81 H new ATOM 128 N THR A 26 50.310 4.599 37.065 0.66 44.70 N ATOM 129 CA THR A 26 49.846 3.397 37.878 1.00 40.69 C ATOM 130 C THR A 26 48.486 3.768 38.550 1.00 37.50 C ATOM 131 O THR A 26 47.780 2.989 39.156 1.00 34.84 O ATOM 132 CB THR A 26 50.984 3.063 38.924 0.52 41.73 C ATOM 133 OG1 THR A 26 50.475 2.081 39.818 0.52 40.16 O ATOM 134 CG2 THR A 26 51.239 4.184 39.876 0.52 42.65 C ATOM 0 H THR A 26 50.630 5.254 37.522 0.66 44.70 H new ATOM 0 HA THR A 26 49.697 2.606 37.337 1.00 40.69 H new ATOM 0 HB THR A 26 51.767 2.828 38.402 0.52 41.73 H new ATOM 0 HG1 THR A 26 51.064 1.885 40.384 0.52 40.16 H new ATOM 0 HG21 THR A 26 51.942 3.930 40.494 0.52 42.65 H new ATOM 0 HG22 THR A 26 51.512 4.973 39.382 0.52 42.65 H new ATOM 0 HG23 THR A 26 50.428 4.379 40.372 0.52 42.65 H new ATOM 142 N VAL A 27 48.146 5.005 38.423 1.00 30.30 N ATOM 143 CA VAL A 27 46.901 5.591 38.968 1.00 24.65 C ATOM 144 C VAL A 27 46.304 6.139 37.631 1.00 22.69 C ATOM 145 O VAL A 27 46.286 7.336 37.406 1.00 15.79 O ATOM 146 CB AVAL A 27 47.278 6.758 39.915 0.66 24.92 C ATOM 147 CB BVAL A 27 47.243 6.707 39.974 0.60 24.99 C ATOM 148 CG1AVAL A 27 46.077 7.269 40.668 0.66 24.05 C ATOM 149 CG1BVAL A 27 47.432 6.134 41.391 0.60 25.35 C ATOM 150 CG2AVAL A 27 48.395 6.354 40.897 0.66 26.79 C ATOM 151 CG2BVAL A 27 48.572 7.337 39.623 0.60 23.64 C ATOM 0 H VAL A 27 48.633 5.577 38.005 1.00 30.30 H new ATOM 0 HA VAL A 27 46.319 5.004 39.475 1.00 24.65 H new ATOM 0 HB AVAL A 27 47.613 7.477 39.356 0.66 24.99 H new ATOM 0 HB BVAL A 27 46.512 7.344 39.941 0.60 24.99 H new ATOM 0 HG11AVAL A 27 46.346 7.997 41.250 0.66 25.35 H new ATOM 0 HG11BVAL A 27 47.646 6.854 42.005 0.60 25.35 H new ATOM 0 HG12AVAL A 27 45.412 7.588 40.038 0.66 25.35 H new ATOM 0 HG12BVAL A 27 46.613 5.699 41.676 0.60 25.35 H new ATOM 0 HG13AVAL A 27 45.700 6.552 41.201 0.66 25.35 H new ATOM 0 HG13BVAL A 27 48.156 5.488 41.385 0.60 25.35 H new ATOM 0 HG21AVAL A 27 48.606 7.105 41.474 0.66 23.64 H new ATOM 0 HG21BVAL A 27 48.777 8.037 40.262 0.60 23.64 H new ATOM 0 HG22AVAL A 27 48.096 5.606 41.437 0.66 23.64 H new ATOM 0 HG22BVAL A 27 49.268 6.662 39.650 0.60 23.64 H new ATOM 0 HG23AVAL A 27 49.187 6.097 40.399 0.66 23.64 H new ATOM 0 HG23BVAL A 27 48.525 7.717 38.732 0.60 23.64 H new ATOM 168 N PRO A 28 45.860 5.254 36.773 1.00 18.60 N ATOM 169 CA PRO A 28 45.494 5.620 35.384 1.00 14.24 C ATOM 170 C PRO A 28 44.274 6.555 35.294 1.00 12.31 C ATOM 171 O PRO A 28 44.024 7.141 34.262 1.00 13.41 O ATOM 172 CB PRO A 28 45.290 4.284 34.718 1.00 15.71 C ATOM 173 CG PRO A 28 44.775 3.388 35.857 1.00 18.97 C ATOM 174 CD PRO A 28 45.653 3.793 37.034 1.00 19.76 C ATOM 0 HA PRO A 28 46.178 6.149 34.945 1.00 14.24 H new ATOM 0 HB2 PRO A 28 44.650 4.341 33.992 1.00 15.71 H new ATOM 0 HB3 PRO A 28 46.116 3.943 34.341 1.00 15.71 H new ATOM 0 HG2 PRO A 28 43.835 3.544 36.040 1.00 18.97 H new ATOM 0 HG3 PRO A 28 44.871 2.446 35.645 1.00 18.97 H new ATOM 0 HD2 PRO A 28 45.216 3.634 37.885 1.00 19.76 H new ATOM 0 HD3 PRO A 28 46.490 3.304 37.049 1.00 19.76 H new ATOM 182 N TYR A 29 43.557 6.663 36.375 1.00 12.86 N ATOM 183 CA TYR A 29 42.337 7.530 36.447 1.00 11.94 C ATOM 184 C TYR A 29 42.670 8.913 36.988 1.00 13.38 C ATOM 185 O TYR A 29 41.765 9.711 37.127 1.00 12.19 O ATOM 186 CB TYR A 29 41.328 6.873 37.384 1.00 8.47 C ATOM 187 CG TYR A 29 41.998 6.465 38.741 1.00 12.16 C ATOM 188 CD1 TYR A 29 42.218 7.365 39.792 1.00 13.07 C ATOM 189 CD2 TYR A 29 42.431 5.170 38.938 1.00 9.70 C ATOM 190 CE1 TYR A 29 42.851 6.963 40.962 1.00 10.31 C ATOM 191 CE2 TYR A 29 43.058 4.783 40.103 1.00 9.63 C ATOM 192 CZ TYR A 29 43.278 5.666 41.124 1.00 9.03 C ATOM 193 OH TYR A 29 43.910 5.286 42.284 1.00 12.77 O ATOM 0 H TYR A 29 43.736 6.249 37.107 1.00 12.86 H new ATOM 0 HA TYR A 29 41.976 7.628 35.552 1.00 11.94 H new ATOM 0 HB2 TYR A 29 40.594 7.484 37.553 1.00 8.47 H new ATOM 0 HB3 TYR A 29 40.950 6.088 36.958 1.00 8.47 H new ATOM 0 HD1 TYR A 29 41.935 8.247 39.705 1.00 13.07 H new ATOM 0 HD2 TYR A 29 42.296 4.541 38.266 1.00 9.70 H new ATOM 0 HE1 TYR A 29 42.988 7.580 41.645 1.00 10.31 H new ATOM 0 HE2 TYR A 29 43.338 3.901 40.197 1.00 9.63 H new ATOM 0 HH TYR A 29 44.090 5.967 42.742 1.00 12.77 H new ATOM 203 N GLN A 30 43.925 9.161 37.262 1.00 14.54 N ATOM 204 CA GLN A 30 44.384 10.480 37.823 1.00 14.60 C ATOM 205 C GLN A 30 44.492 11.504 36.715 1.00 13.64 C ATOM 206 O GLN A 30 45.032 11.208 35.665 1.00 9.58 O ATOM 207 CB GLN A 30 45.768 10.286 38.486 1.00 16.41 C ATOM 208 CG GLN A 30 46.425 11.595 38.963 1.00 19.93 C ATOM 209 CD GLN A 30 46.007 11.920 40.384 1.00 17.31 C ATOM 210 OE1 GLN A 30 46.212 11.055 41.310 1.00 25.01 O flip ATOM 211 NE2 GLN A 30 45.490 12.976 40.678 1.00 16.55 N flip ATOM 0 H GLN A 30 44.559 8.593 37.140 1.00 14.54 H new ATOM 0 HA GLN A 30 43.743 10.795 38.479 1.00 14.60 H new ATOM 0 HB2 GLN A 30 45.672 9.689 39.244 1.00 16.41 H new ATOM 0 HB3 GLN A 30 46.360 9.849 37.854 1.00 16.41 H new ATOM 0 HG2 GLN A 30 47.390 11.513 38.916 1.00 19.93 H new ATOM 0 HG3 GLN A 30 46.173 12.322 38.373 1.00 19.93 H new ATOM 0 HE21 GLN A 30 45.345 13.568 40.071 1.00 16.55 H new ATOM 0 HE22 GLN A 30 45.268 13.134 41.494 1.00 16.55 H new ATOM 220 N VAL A 31 43.949 12.704 37.030 1.00 11.97 N ATOM 221 CA VAL A 31 43.997 13.819 36.045 1.00 15.65 C ATOM 222 C VAL A 31 44.674 15.070 36.690 1.00 14.16 C ATOM 223 O VAL A 31 44.678 15.236 37.897 1.00 14.42 O ATOM 224 CB AVAL A 31 42.527 14.078 35.743 0.28 15.40 C ATOM 225 CB BVAL A 31 42.572 14.321 35.455 0.64 16.28 C ATOM 226 CG1AVAL A 31 42.265 15.192 34.800 0.28 13.67 C ATOM 227 CG1BVAL A 31 41.654 13.167 35.106 0.64 19.17 C ATOM 228 CG2AVAL A 31 41.734 12.795 35.387 0.28 16.40 C ATOM 229 CG2BVAL A 31 41.848 15.341 36.287 0.64 14.94 C ATOM 0 H VAL A 31 43.564 12.889 37.776 1.00 11.97 H new ATOM 0 HA VAL A 31 44.510 13.617 35.247 1.00 15.65 H new ATOM 0 HB AVAL A 31 42.175 14.391 36.591 0.28 16.28 H new ATOM 0 HB BVAL A 31 42.820 14.786 34.640 0.64 16.28 H new ATOM 0 HG11AVAL A 31 41.309 15.285 34.666 0.28 19.17 H new ATOM 0 HG11BVAL A 31 40.817 13.513 34.758 0.64 19.17 H new ATOM 0 HG12AVAL A 31 42.622 16.017 35.166 0.28 19.17 H new ATOM 0 HG12BVAL A 31 42.076 12.609 34.435 0.64 19.17 H new ATOM 0 HG13AVAL A 31 42.693 15.004 33.950 0.28 19.17 H new ATOM 0 HG13BVAL A 31 41.480 12.640 35.901 0.64 19.17 H new ATOM 0 HG21AVAL A 31 40.809 13.026 35.206 0.28 14.94 H new ATOM 0 HG21BVAL A 31 41.012 15.577 35.855 0.64 14.94 H new ATOM 0 HG22AVAL A 31 42.123 12.381 34.601 0.28 14.94 H new ATOM 0 HG22BVAL A 31 41.664 14.972 37.165 0.64 14.94 H new ATOM 0 HG23AVAL A 31 41.772 12.174 36.131 0.28 14.94 H new ATOM 0 HG23BVAL A 31 42.399 16.134 36.379 0.64 14.94 H new ATOM 246 N SER A 32 45.186 15.911 35.844 1.00 12.96 N ATOM 247 CA SER A 32 45.857 17.160 36.263 1.00 11.63 C ATOM 248 C SER A 32 44.985 18.258 35.597 1.00 12.94 C ATOM 249 O SER A 32 44.714 18.141 34.411 1.00 11.16 O ATOM 250 CB SER A 32 47.288 17.232 35.708 1.00 10.40 C ATOM 251 OG SER A 32 47.727 18.605 35.830 1.00 7.80 O ATOM 0 H SER A 32 45.167 15.795 34.992 1.00 12.96 H new ATOM 0 HA SER A 32 45.933 17.241 37.227 1.00 11.63 H new ATOM 0 HB2 SER A 32 47.877 16.639 36.201 1.00 10.40 H new ATOM 0 HB3 SER A 32 47.310 16.947 34.781 1.00 10.40 H new ATOM 0 HG SER A 32 48.243 18.792 35.194 1.00 7.80 H new ATOM 257 N LEU A 33 44.587 19.258 36.351 1.00 7.79 N ATOM 258 CA LEU A 33 43.767 20.376 35.798 1.00 10.34 C ATOM 259 C LEU A 33 44.894 21.447 35.613 1.00 11.46 C ATOM 260 O LEU A 33 45.731 21.687 36.482 1.00 8.90 O ATOM 261 CB LEU A 33 42.694 20.864 36.819 1.00 14.35 C ATOM 262 CG LEU A 33 41.720 19.731 37.259 1.00 11.81 C ATOM 263 CD1 LEU A 33 40.635 20.347 38.182 1.00 13.87 C ATOM 264 CD2 LEU A 33 41.061 19.012 36.054 1.00 14.38 C ATOM 0 H LEU A 33 44.769 19.330 37.189 1.00 7.79 H new ATOM 0 HA LEU A 33 43.257 20.158 35.002 1.00 10.34 H new ATOM 0 HB2 LEU A 33 43.139 21.224 37.602 1.00 14.35 H new ATOM 0 HB3 LEU A 33 42.184 21.588 36.424 1.00 14.35 H new ATOM 0 HG LEU A 33 42.230 19.056 37.734 1.00 11.81 H new ATOM 0 HD11 LEU A 33 40.019 19.653 38.465 1.00 13.87 H new ATOM 0 HD12 LEU A 33 41.058 20.741 38.961 1.00 13.87 H new ATOM 0 HD13 LEU A 33 40.149 21.032 37.697 1.00 13.87 H new ATOM 0 HD21 LEU A 33 40.466 18.318 36.377 1.00 14.38 H new ATOM 0 HD22 LEU A 33 40.555 19.654 35.531 1.00 14.38 H new ATOM 0 HD23 LEU A 33 41.749 18.614 35.498 1.00 14.38 H new ATOM 276 N ASN A 34 44.877 22.046 34.461 1.00 13.76 N ATOM 277 CA ASN A 34 45.892 23.076 34.097 1.00 13.32 C ATOM 278 C ASN A 34 45.242 24.338 33.515 1.00 12.03 C ATOM 279 O ASN A 34 44.305 24.222 32.751 1.00 15.71 O ATOM 280 CB ASN A 34 46.844 22.328 33.081 1.00 13.54 C ATOM 281 CG ASN A 34 48.002 23.140 32.471 1.00 16.59 C ATOM 282 OD1 ASN A 34 47.825 24.108 31.755 1.00 16.20 O ATOM 283 ND2 ASN A 34 49.217 22.773 32.731 1.00 18.02 N ATOM 0 H ASN A 34 44.293 21.891 33.849 1.00 13.76 H new ATOM 0 HA ASN A 34 46.385 23.412 34.862 1.00 13.32 H new ATOM 0 HB2 ASN A 34 47.223 21.559 33.535 1.00 13.54 H new ATOM 0 HB3 ASN A 34 46.300 21.988 32.354 1.00 13.54 H new ATOM 0 HD21 ASN A 34 49.879 23.211 32.400 1.00 18.02 H new ATOM 0 HD22 ASN A 34 49.362 22.091 33.235 1.00 18.02 H new ATOM 290 N SER A 37 45.710 25.492 33.893 1.00 13.40 N ATOM 291 CA SER A 37 45.162 26.761 33.360 1.00 17.79 C ATOM 292 C SER A 37 46.477 27.551 33.161 1.00 17.70 C ATOM 293 O SER A 37 46.655 28.639 33.671 1.00 21.00 O ATOM 294 CB SER A 37 44.207 27.447 34.403 1.00 20.26 C ATOM 295 OG SER A 37 44.880 27.437 35.670 1.00 23.82 O ATOM 0 H SER A 37 46.349 25.590 34.460 1.00 13.40 H new ATOM 0 HA SER A 37 44.616 26.680 32.562 1.00 17.79 H new ATOM 0 HB2 SER A 37 44.001 28.355 34.132 1.00 20.26 H new ATOM 0 HB3 SER A 37 43.364 26.970 34.460 1.00 20.26 H new ATOM 0 HG SER A 37 44.718 26.715 36.068 1.00 23.82 H new ATOM 301 N GLY A 38 47.393 26.969 32.433 1.00 17.99 N ATOM 302 CA GLY A 38 48.712 27.626 32.172 1.00 14.93 C ATOM 303 C GLY A 38 49.805 26.997 33.025 1.00 16.23 C ATOM 304 O GLY A 38 50.978 27.180 32.746 1.00 12.82 O ATOM 0 H GLY A 38 47.300 26.196 32.068 1.00 17.99 H new ATOM 0 HA2 GLY A 38 48.940 27.542 31.233 1.00 14.93 H new ATOM 0 HA3 GLY A 38 48.650 28.574 32.365 1.00 14.93 H new ATOM 308 N TYR A 39 49.327 26.320 34.041 1.00 14.36 N ATOM 309 CA TYR A 39 50.128 25.585 35.061 1.00 16.12 C ATOM 310 C TYR A 39 49.161 24.620 35.810 1.00 15.12 C ATOM 311 O TYR A 39 47.952 24.780 35.831 1.00 12.37 O ATOM 312 CB TYR A 39 50.773 26.564 36.131 1.00 13.19 C ATOM 313 CG TYR A 39 49.666 27.466 36.671 1.00 14.53 C ATOM 314 CD1 TYR A 39 49.418 28.631 35.989 1.00 13.70 C ATOM 315 CD2 TYR A 39 48.898 27.120 37.779 1.00 14.67 C ATOM 316 CE1 TYR A 39 48.421 29.458 36.383 1.00 15.56 C ATOM 317 CE2 TYR A 39 47.895 27.958 38.171 1.00 14.75 C ATOM 318 CZ TYR A 39 47.657 29.121 37.471 1.00 16.85 C ATOM 319 OH TYR A 39 46.641 29.967 37.844 1.00 23.62 O ATOM 0 H TYR A 39 48.481 26.258 34.184 1.00 14.36 H new ATOM 0 HA TYR A 39 50.847 25.116 34.611 1.00 16.12 H new ATOM 0 HB2 TYR A 39 51.180 26.058 36.852 1.00 13.19 H new ATOM 0 HB3 TYR A 39 51.476 27.095 35.725 1.00 13.19 H new ATOM 0 HD1 TYR A 39 49.938 28.854 35.251 1.00 13.70 H new ATOM 0 HD2 TYR A 39 49.065 26.332 38.244 1.00 14.67 H new ATOM 0 HE1 TYR A 39 48.256 30.247 35.920 1.00 15.56 H new ATOM 0 HE2 TYR A 39 47.372 27.744 38.910 1.00 14.75 H new ATOM 0 HH TYR A 39 46.248 29.654 38.517 1.00 23.62 H new ATOM 329 N HIS A 40 49.752 23.644 36.427 1.00 15.23 N ATOM 330 CA HIS A 40 48.983 22.631 37.182 1.00 14.43 C ATOM 331 C HIS A 40 48.422 23.290 38.399 1.00 13.67 C ATOM 332 O HIS A 40 49.187 23.893 39.113 1.00 13.43 O ATOM 333 CB HIS A 40 49.938 21.509 37.572 1.00 16.07 C ATOM 334 CG HIS A 40 49.228 20.542 38.513 1.00 15.15 C ATOM 335 ND1 HIS A 40 48.492 19.571 38.121 1.00 17.34 N ATOM 336 CD2 HIS A 40 49.173 20.459 39.879 1.00 14.27 C ATOM 337 CE1 HIS A 40 47.992 18.912 39.108 1.00 20.18 C ATOM 338 NE2 HIS A 40 48.399 19.445 40.213 1.00 16.95 N ATOM 0 H HIS A 40 50.604 23.526 36.437 1.00 15.23 H new ATOM 0 HA HIS A 40 48.257 22.264 36.654 1.00 14.43 H new ATOM 0 HB2 HIS A 40 50.242 21.040 36.779 1.00 16.07 H new ATOM 0 HB3 HIS A 40 50.725 21.876 38.004 1.00 16.07 H new ATOM 0 HD1 HIS A 40 48.348 19.381 37.295 1.00 17.34 H new ATOM 0 HD2 HIS A 40 49.610 21.025 40.474 1.00 14.27 H new ATOM 0 HE1 HIS A 40 47.430 18.174 39.037 1.00 20.18 H new ATOM 346 N PHE A 41 47.154 23.201 38.641 1.00 10.75 N ATOM 347 CA PHE A 41 46.624 23.859 39.863 1.00 11.42 C ATOM 348 C PHE A 41 45.752 22.909 40.669 1.00 12.48 C ATOM 349 O PHE A 41 45.466 23.238 41.799 1.00 10.24 O ATOM 350 CB PHE A 41 45.832 25.121 39.452 1.00 13.82 C ATOM 351 CG PHE A 41 44.519 24.792 38.785 1.00 13.53 C ATOM 352 CD1 PHE A 41 43.380 24.591 39.543 1.00 15.10 C ATOM 353 CD2 PHE A 41 44.466 24.696 37.426 1.00 13.85 C ATOM 354 CE1 PHE A 41 42.189 24.308 38.932 1.00 14.91 C ATOM 355 CE2 PHE A 41 43.281 24.414 36.813 1.00 14.19 C ATOM 356 CZ PHE A 41 42.137 24.214 37.567 1.00 13.43 C ATOM 0 H PHE A 41 46.577 22.790 38.153 1.00 10.75 H new ATOM 0 HA PHE A 41 47.367 24.115 40.432 1.00 11.42 H new ATOM 0 HB2 PHE A 41 45.664 25.663 40.238 1.00 13.82 H new ATOM 0 HB3 PHE A 41 46.372 25.655 38.849 1.00 13.82 H new ATOM 0 HD1 PHE A 41 43.424 24.648 40.470 1.00 15.10 H new ATOM 0 HD2 PHE A 41 45.235 24.822 36.919 1.00 13.85 H new ATOM 0 HE1 PHE A 41 41.421 24.180 39.440 1.00 14.91 H new ATOM 0 HE2 PHE A 41 43.241 24.356 35.886 1.00 14.19 H new ATOM 0 HZ PHE A 41 41.332 24.016 37.146 1.00 13.43 H new ATOM 366 N CYS A 42 45.333 21.803 40.119 1.00 12.61 N ATOM 367 CA CYS A 42 44.479 20.851 40.900 1.00 12.25 C ATOM 368 C CYS A 42 44.531 19.472 40.238 1.00 11.79 C ATOM 369 O CYS A 42 45.029 19.330 39.124 1.00 9.45 O ATOM 370 CB CYS A 42 42.977 21.331 40.955 1.00 10.02 C ATOM 371 SG CYS A 42 42.540 22.367 42.352 1.00 11.04 S ATOM 0 H CYS A 42 45.510 21.559 39.314 1.00 12.61 H new ATOM 0 HA CYS A 42 44.822 20.813 41.806 1.00 12.25 H new ATOM 0 HB2 CYS A 42 42.780 21.817 40.139 1.00 10.02 H new ATOM 0 HB3 CYS A 42 42.405 20.548 40.963 1.00 10.02 H new ATOM 376 N GLY A 43 44.007 18.523 40.962 1.00 9.26 N ATOM 377 CA GLY A 43 43.950 17.119 40.519 1.00 8.27 C ATOM 378 C GLY A 43 42.477 16.808 40.253 1.00 9.68 C ATOM 379 O GLY A 43 41.596 17.586 40.568 1.00 9.25 O ATOM 0 H GLY A 43 43.664 18.656 41.739 1.00 9.26 H new ATOM 0 HA2 GLY A 43 44.481 16.988 39.718 1.00 8.27 H new ATOM 0 HA3 GLY A 43 44.311 16.528 41.198 1.00 8.27 H new ATOM 383 N GLY A 44 42.222 15.682 39.664 1.00 11.70 N ATOM 384 CA GLY A 44 40.830 15.253 39.352 1.00 9.53 C ATOM 385 C GLY A 44 40.861 13.738 39.075 1.00 9.06 C ATOM 386 O GLY A 44 41.929 13.151 39.005 1.00 11.41 O ATOM 0 H GLY A 44 42.827 15.122 39.420 1.00 11.70 H new ATOM 0 HA2 GLY A 44 40.238 15.452 40.094 1.00 9.53 H new ATOM 0 HA3 GLY A 44 40.490 15.734 38.581 1.00 9.53 H new ATOM 390 N SER A 45 39.709 13.161 38.933 1.00 12.12 N ATOM 391 CA SER A 45 39.549 11.693 38.641 1.00 13.55 C ATOM 392 C SER A 45 38.673 11.516 37.424 1.00 13.49 C ATOM 393 O SER A 45 37.645 12.165 37.345 1.00 10.45 O ATOM 394 CB SER A 45 38.870 10.990 39.776 1.00 13.53 C ATOM 395 OG SER A 45 39.880 11.023 40.771 1.00 19.03 O ATOM 0 H SER A 45 38.962 13.583 38.997 1.00 12.12 H new ATOM 0 HA SER A 45 40.434 11.322 38.502 1.00 13.55 H new ATOM 0 HB2 SER A 45 38.063 11.448 40.059 1.00 13.53 H new ATOM 0 HB3 SER A 45 38.615 10.083 39.544 1.00 13.53 H new ATOM 0 HG SER A 45 40.559 11.415 40.469 1.00 19.03 H new ATOM 401 N LEU A 46 39.080 10.646 36.538 1.00 9.27 N ATOM 402 CA LEU A 46 38.290 10.404 35.320 1.00 10.05 C ATOM 403 C LEU A 46 37.177 9.392 35.705 1.00 10.08 C ATOM 404 O LEU A 46 37.496 8.320 36.195 1.00 12.93 O ATOM 405 CB LEU A 46 39.277 9.844 34.276 1.00 12.93 C ATOM 406 CG LEU A 46 38.583 9.657 32.920 1.00 11.83 C ATOM 407 CD1 LEU A 46 38.191 11.028 32.309 1.00 13.89 C ATOM 408 CD2 LEU A 46 39.510 8.875 31.990 1.00 15.31 C ATOM 0 H LEU A 46 39.800 10.180 36.604 1.00 9.27 H new ATOM 0 HA LEU A 46 37.863 11.193 34.950 1.00 10.05 H new ATOM 0 HB2 LEU A 46 40.030 10.448 34.179 1.00 12.93 H new ATOM 0 HB3 LEU A 46 39.632 8.995 34.583 1.00 12.93 H new ATOM 0 HG LEU A 46 37.762 9.154 33.041 1.00 11.83 H new ATOM 0 HD11 LEU A 46 37.755 10.889 31.454 1.00 13.89 H new ATOM 0 HD12 LEU A 46 37.585 11.489 32.910 1.00 13.89 H new ATOM 0 HD13 LEU A 46 38.988 11.565 32.181 1.00 13.89 H new ATOM 0 HD21 LEU A 46 39.078 8.753 31.130 1.00 15.31 H new ATOM 0 HD22 LEU A 46 40.337 9.367 31.869 1.00 15.31 H new ATOM 0 HD23 LEU A 46 39.704 8.008 32.380 1.00 15.31 H new ATOM 420 N ILE A 47 35.924 9.701 35.508 1.00 11.41 N ATOM 421 CA ILE A 47 34.876 8.695 35.897 1.00 14.59 C ATOM 422 C ILE A 47 34.356 7.966 34.644 1.00 12.58 C ATOM 423 O ILE A 47 33.703 6.954 34.791 1.00 9.37 O ATOM 424 CB ILE A 47 33.779 9.433 36.712 1.00 12.70 C ATOM 425 CG1 ILE A 47 33.279 10.689 36.012 1.00 15.36 C ATOM 426 CG2 ILE A 47 34.489 9.820 38.049 1.00 15.12 C ATOM 427 CD1 ILE A 47 32.103 11.280 36.779 1.00 19.45 C ATOM 0 H ILE A 47 35.635 10.438 35.171 1.00 11.41 H new ATOM 0 HA ILE A 47 35.237 7.998 36.466 1.00 14.59 H new ATOM 0 HB ILE A 47 32.997 8.872 36.833 1.00 12.70 H new ATOM 0 HG12 ILE A 47 33.995 11.341 35.950 1.00 15.36 H new ATOM 0 HG13 ILE A 47 33.009 10.477 35.105 1.00 15.36 H new ATOM 0 HG21 ILE A 47 33.865 10.291 38.623 1.00 15.12 H new ATOM 0 HG22 ILE A 47 34.796 9.016 38.497 1.00 15.12 H new ATOM 0 HG23 ILE A 47 35.248 10.393 37.858 1.00 15.12 H new ATOM 0 HD11 ILE A 47 31.790 12.079 36.327 1.00 19.45 H new ATOM 0 HD12 ILE A 47 31.384 10.630 36.820 1.00 19.45 H new ATOM 0 HD13 ILE A 47 32.385 11.507 37.679 1.00 19.45 H new ATOM 439 N ASN A 48 34.628 8.459 33.461 1.00 12.36 N ATOM 440 CA ASN A 48 34.213 7.801 32.189 1.00 16.69 C ATOM 441 C ASN A 48 34.904 8.604 31.087 1.00 14.43 C ATOM 442 O ASN A 48 35.486 9.622 31.396 1.00 15.90 O ATOM 443 CB ASN A 48 32.629 7.727 32.040 1.00 11.59 C ATOM 444 CG ASN A 48 31.818 8.954 31.822 1.00 14.02 C ATOM 445 OD1 ASN A 48 32.275 9.908 31.100 1.00 20.08 O flip ATOM 446 ND2 ASN A 48 30.713 9.064 32.314 1.00 9.93 N flip ATOM 0 H ASN A 48 35.062 9.192 33.345 1.00 12.36 H new ATOM 0 HA ASN A 48 34.480 6.869 32.150 1.00 16.69 H new ATOM 0 HB2 ASN A 48 32.442 7.128 31.300 1.00 11.59 H new ATOM 0 HB3 ASN A 48 32.289 7.301 32.842 1.00 11.59 H new ATOM 0 HD21 ASN A 48 30.394 8.431 32.801 1.00 9.93 H new ATOM 0 HD22 ASN A 48 30.249 9.775 32.175 1.00 9.93 H new ATOM 453 N SER A 49 34.861 8.200 29.870 1.00 16.30 N ATOM 454 CA SER A 49 35.531 8.940 28.771 1.00 17.44 C ATOM 455 C SER A 49 35.282 10.429 28.658 1.00 15.88 C ATOM 456 O SER A 49 36.166 11.120 28.199 1.00 17.87 O ATOM 457 CB ASER A 49 35.134 8.226 27.445 0.52 18.11 C ATOM 458 CB BSER A 49 35.158 8.254 27.408 0.50 15.38 C ATOM 459 OG ASER A 49 33.731 7.968 27.588 0.52 18.93 O ATOM 460 OG BSER A 49 33.848 8.737 27.144 0.50 22.77 O ATOM 0 H SER A 49 34.449 7.489 29.617 1.00 16.30 H new ATOM 0 HA SER A 49 36.479 8.911 28.973 1.00 17.44 H new ATOM 0 HB2ASER A 49 35.314 8.786 26.674 0.52 15.38 H new ATOM 0 HB2BSER A 49 35.778 8.498 26.703 0.50 15.38 H new ATOM 0 HB3ASER A 49 35.634 7.404 27.322 0.52 15.38 H new ATOM 0 HB3BSER A 49 35.175 7.287 27.478 0.50 15.38 H new ATOM 0 HG ASER A 49 33.605 7.141 27.667 0.52 22.77 H new ATOM 0 HG BSER A 49 33.284 8.223 27.495 0.50 22.77 H new ATOM 469 N GLN A 50 34.129 10.888 29.013 1.00 12.61 N ATOM 470 CA GLN A 50 33.789 12.340 28.932 1.00 13.70 C ATOM 471 C GLN A 50 33.710 13.144 30.254 1.00 10.74 C ATOM 472 O GLN A 50 33.519 14.344 30.159 1.00 8.25 O ATOM 473 CB AGLN A 50 32.422 12.522 28.272 0.40 14.66 C ATOM 474 CB BGLN A 50 32.415 12.452 28.215 0.62 15.50 C ATOM 475 CG AGLN A 50 32.271 11.958 26.864 0.40 16.21 C ATOM 476 CG BGLN A 50 32.379 11.816 26.801 0.62 19.61 C ATOM 477 CD AGLN A 50 30.825 12.337 26.524 0.40 18.15 C ATOM 478 CD BGLN A 50 30.897 11.700 26.356 0.62 21.50 C ATOM 479 OE1AGLN A 50 29.895 11.755 27.052 0.40 21.68 O ATOM 480 OE1BGLN A 50 30.024 11.424 27.165 0.62 26.30 O ATOM 481 NE2AGLN A 50 30.583 13.294 25.691 0.40 16.06 N ATOM 482 NE2BGLN A 50 30.541 11.885 25.121 0.62 19.19 N ATOM 0 H GLN A 50 33.492 10.395 29.314 1.00 12.61 H new ATOM 0 HA GLN A 50 34.543 12.691 28.432 1.00 13.70 H new ATOM 0 HB2AGLN A 50 31.753 12.108 28.839 0.40 15.50 H new ATOM 0 HB2BGLN A 50 31.739 12.028 28.766 0.62 15.50 H new ATOM 0 HB3AGLN A 50 32.222 13.471 28.243 0.40 15.50 H new ATOM 0 HB3BGLN A 50 32.175 13.389 28.143 0.62 15.50 H new ATOM 0 HG2AGLN A 50 32.905 12.352 26.245 0.40 19.61 H new ATOM 0 HG2BGLN A 50 32.879 12.361 26.173 0.62 19.61 H new ATOM 0 HG3AGLN A 50 32.410 10.998 26.840 0.40 19.61 H new ATOM 0 HG3BGLN A 50 32.798 10.941 26.813 0.62 19.61 H new ATOM 0 HE21AGLN A 50 31.234 13.710 25.314 0.40 19.19 H new ATOM 0 HE21BGLN A 50 31.132 12.081 24.528 0.62 19.19 H new ATOM 0 HE22AGLN A 50 29.771 13.515 25.514 0.40 19.19 H new ATOM 0 HE22BGLN A 50 29.714 11.812 24.896 0.62 19.19 H new ATOM 497 N TRP A 51 33.846 12.535 31.394 1.00 9.61 N ATOM 498 CA TRP A 51 33.730 13.306 32.659 1.00 8.93 C ATOM 499 C TRP A 51 34.799 13.087 33.719 1.00 11.08 C ATOM 500 O TRP A 51 35.321 11.990 33.889 1.00 10.45 O ATOM 501 CB TRP A 51 32.329 12.985 33.301 1.00 6.40 C ATOM 502 CG TRP A 51 31.100 13.456 32.472 1.00 10.36 C ATOM 503 CD1 TRP A 51 30.456 12.788 31.452 1.00 7.46 C ATOM 504 CD2 TRP A 51 30.457 14.655 32.643 1.00 11.95 C ATOM 505 NE1 TRP A 51 29.494 13.613 31.085 1.00 9.22 N ATOM 506 CE2 TRP A 51 29.396 14.766 31.731 1.00 11.01 C ATOM 507 CE3 TRP A 51 30.692 15.696 33.535 1.00 14.04 C ATOM 508 CZ2 TRP A 51 28.594 15.907 31.729 1.00 13.87 C ATOM 509 CZ3 TRP A 51 29.888 16.844 33.525 1.00 15.18 C ATOM 510 CH2 TRP A 51 28.837 16.946 32.618 1.00 13.46 C ATOM 0 H TRP A 51 34.003 11.695 31.488 1.00 9.61 H new ATOM 0 HA TRP A 51 33.846 14.230 32.389 1.00 8.93 H new ATOM 0 HB2 TRP A 51 32.263 12.027 33.436 1.00 6.40 H new ATOM 0 HB3 TRP A 51 32.288 13.398 34.178 1.00 6.40 H new ATOM 0 HD1 TRP A 51 30.654 11.949 31.103 1.00 7.46 H new ATOM 0 HE1 TRP A 51 28.951 13.410 30.450 1.00 9.22 H new ATOM 0 HE3 TRP A 51 31.391 15.630 34.145 1.00 14.04 H new ATOM 0 HZ2 TRP A 51 27.889 15.973 31.126 1.00 13.87 H new ATOM 0 HZ3 TRP A 51 30.056 17.536 34.123 1.00 15.18 H new ATOM 0 HH2 TRP A 51 28.301 17.706 32.607 1.00 13.46 H new ATOM 521 N VAL A 52 35.043 14.169 34.398 1.00 11.72 N ATOM 522 CA VAL A 52 36.046 14.238 35.510 1.00 11.65 C ATOM 523 C VAL A 52 35.354 14.809 36.762 1.00 7.21 C ATOM 524 O VAL A 52 34.470 15.639 36.654 1.00 11.00 O ATOM 525 CB VAL A 52 37.266 15.177 35.080 1.00 9.28 C ATOM 526 CG1 VAL A 52 38.217 15.499 36.269 1.00 8.62 C ATOM 527 CG2 VAL A 52 38.077 14.532 33.927 1.00 9.21 C ATOM 0 H VAL A 52 34.642 14.915 34.250 1.00 11.72 H new ATOM 0 HA VAL A 52 36.391 13.352 35.702 1.00 11.65 H new ATOM 0 HB VAL A 52 36.877 16.012 34.777 1.00 9.28 H new ATOM 0 HG11 VAL A 52 38.939 16.069 35.961 1.00 8.62 H new ATOM 0 HG12 VAL A 52 37.720 15.955 36.966 1.00 8.62 H new ATOM 0 HG13 VAL A 52 38.585 14.674 36.622 1.00 8.62 H new ATOM 0 HG21 VAL A 52 38.811 15.116 33.681 1.00 9.21 H new ATOM 0 HG22 VAL A 52 38.429 13.676 34.218 1.00 9.21 H new ATOM 0 HG23 VAL A 52 37.499 14.399 33.159 1.00 9.21 H new ATOM 537 N VAL A 53 35.739 14.326 37.943 1.00 8.31 N ATOM 538 CA VAL A 53 35.168 14.841 39.199 1.00 10.82 C ATOM 539 C VAL A 53 36.439 15.424 39.887 1.00 11.13 C ATOM 540 O VAL A 53 37.510 14.839 39.849 1.00 10.83 O ATOM 541 CB AVAL A 53 34.506 13.671 40.011 0.60 10.67 C ATOM 542 CB BVAL A 53 34.603 13.717 40.146 0.29 14.98 C ATOM 543 CG1AVAL A 53 35.472 12.553 40.331 0.60 15.44 C ATOM 544 CG1BVAL A 53 33.385 13.019 39.564 0.29 14.90 C ATOM 545 CG2AVAL A 53 33.944 14.227 41.342 0.60 9.67 C ATOM 546 CG2BVAL A 53 35.641 12.619 40.438 0.29 17.34 C ATOM 0 H VAL A 53 36.325 13.705 38.044 1.00 8.31 H new ATOM 0 HA VAL A 53 34.458 15.495 39.103 1.00 10.82 H new ATOM 0 HB AVAL A 53 33.803 13.304 39.452 0.60 14.98 H new ATOM 0 HB BVAL A 53 34.365 14.187 40.960 0.29 14.98 H new ATOM 0 HG11AVAL A 53 35.012 11.861 40.831 0.60 14.90 H new ATOM 0 HG11BVAL A 53 33.076 12.338 40.182 0.29 14.90 H new ATOM 0 HG12AVAL A 53 35.819 12.179 39.506 0.60 14.90 H new ATOM 0 HG12BVAL A 53 32.679 13.668 39.418 0.29 14.90 H new ATOM 0 HG13AVAL A 53 36.206 12.901 40.862 0.60 14.90 H new ATOM 0 HG13BVAL A 53 33.622 12.605 38.720 0.29 14.90 H new ATOM 0 HG21AVAL A 53 33.534 13.507 41.846 0.60 17.34 H new ATOM 0 HG21BVAL A 53 35.250 11.951 41.023 0.29 17.34 H new ATOM 0 HG22AVAL A 53 34.666 14.615 41.861 0.60 17.34 H new ATOM 0 HG22BVAL A 53 35.913 12.201 39.606 0.29 17.34 H new ATOM 0 HG23AVAL A 53 33.280 14.908 41.154 0.60 17.34 H new ATOM 0 HG23BVAL A 53 36.416 13.012 40.870 0.29 17.34 H new ATOM 563 N SER A 54 36.254 16.575 40.470 1.00 10.38 N ATOM 564 CA SER A 54 37.356 17.248 41.199 1.00 10.88 C ATOM 565 C SER A 54 36.628 17.996 42.355 1.00 9.49 C ATOM 566 O SER A 54 35.464 17.749 42.634 1.00 7.29 O ATOM 567 CB SER A 54 38.113 18.194 40.192 1.00 9.09 C ATOM 568 OG SER A 54 39.189 18.734 40.954 1.00 8.41 O ATOM 0 H SER A 54 35.508 17.004 40.470 1.00 10.38 H new ATOM 0 HA SER A 54 38.038 16.662 41.562 1.00 10.88 H new ATOM 0 HB2 SER A 54 38.437 17.703 39.421 1.00 9.09 H new ATOM 0 HB3 SER A 54 37.530 18.894 39.858 1.00 9.09 H new ATOM 0 HG SER A 54 39.894 18.310 40.784 1.00 8.41 H new ATOM 574 N ALA A 55 37.329 18.891 42.980 1.00 9.15 N ATOM 575 CA ALA A 55 36.829 19.699 44.108 1.00 4.64 C ATOM 576 C ALA A 55 36.237 21.009 43.551 1.00 3.95 C ATOM 577 O ALA A 55 36.723 21.574 42.591 1.00 8.92 O ATOM 578 CB ALA A 55 38.022 20.051 45.074 1.00 4.90 C ATOM 0 H ALA A 55 38.143 19.071 42.770 1.00 9.15 H new ATOM 0 HA ALA A 55 36.153 19.201 44.594 1.00 4.64 H new ATOM 0 HB1 ALA A 55 37.692 20.582 45.815 1.00 4.90 H new ATOM 0 HB2 ALA A 55 38.416 19.232 45.414 1.00 4.90 H new ATOM 0 HB3 ALA A 55 38.694 20.555 44.589 1.00 4.90 H new ATOM 584 N ALA A 56 35.184 21.469 44.171 1.00 6.68 N ATOM 585 CA ALA A 56 34.550 22.725 43.719 1.00 5.43 C ATOM 586 C ALA A 56 35.488 23.889 43.934 1.00 8.87 C ATOM 587 O ALA A 56 35.429 24.838 43.182 1.00 9.89 O ATOM 588 CB ALA A 56 33.360 23.017 44.503 1.00 6.93 C ATOM 0 H ALA A 56 34.809 21.092 44.847 1.00 6.68 H new ATOM 0 HA ALA A 56 34.330 22.610 42.781 1.00 5.43 H new ATOM 0 HB1 ALA A 56 32.961 23.844 44.190 1.00 6.93 H new ATOM 0 HB2 ALA A 56 32.722 22.293 44.405 1.00 6.93 H new ATOM 0 HB3 ALA A 56 33.603 23.109 45.438 1.00 6.93 H new ATOM 594 N HIS A 57 36.332 23.798 44.939 1.00 12.07 N ATOM 595 CA HIS A 57 37.268 24.938 45.182 1.00 15.19 C ATOM 596 C HIS A 57 38.352 25.015 44.095 1.00 16.57 C ATOM 597 O HIS A 57 39.165 25.916 44.109 1.00 13.91 O ATOM 598 CB HIS A 57 37.923 24.866 46.677 1.00 18.52 C ATOM 599 CG HIS A 57 38.988 23.821 47.004 1.00 25.36 C ATOM 600 ND1 HIS A 57 38.857 22.728 47.700 1.00 27.34 N ATOM 601 CD2 HIS A 57 40.314 23.810 46.633 1.00 30.93 C ATOM 602 CE1 HIS A 57 39.977 22.096 47.760 1.00 27.75 C ATOM 603 NE2 HIS A 57 40.916 22.732 47.111 1.00 31.97 N ATOM 0 H HIS A 57 36.398 23.133 45.480 1.00 12.07 H new ATOM 0 HA HIS A 57 36.749 25.756 45.133 1.00 15.19 H new ATOM 0 HB2 HIS A 57 38.308 25.736 46.864 1.00 18.52 H new ATOM 0 HB3 HIS A 57 37.194 24.738 47.304 1.00 18.52 H new ATOM 0 HD1 HIS A 57 38.125 22.465 48.068 1.00 27.34 H new ATOM 0 HD2 HIS A 57 40.728 24.466 46.120 1.00 30.93 H new ATOM 0 HE1 HIS A 57 40.102 21.290 48.208 1.00 27.75 H new ATOM 611 N CYS A 58 38.327 24.085 43.180 1.00 12.78 N ATOM 612 CA CYS A 58 39.311 24.056 42.054 1.00 13.28 C ATOM 613 C CYS A 58 38.618 24.695 40.842 1.00 14.53 C ATOM 614 O CYS A 58 39.167 24.715 39.756 1.00 15.81 O ATOM 615 CB CYS A 58 39.677 22.647 41.637 1.00 11.63 C ATOM 616 SG CYS A 58 40.673 21.759 42.817 1.00 10.09 S ATOM 0 H CYS A 58 37.755 23.443 43.166 1.00 12.78 H new ATOM 0 HA CYS A 58 40.115 24.515 42.343 1.00 13.28 H new ATOM 0 HB2 CYS A 58 38.861 22.147 41.479 1.00 11.63 H new ATOM 0 HB3 CYS A 58 40.154 22.686 40.793 1.00 11.63 H new ATOM 621 N TYR A 59 37.425 25.199 41.028 1.00 15.56 N ATOM 622 CA TYR A 59 36.740 25.819 39.858 1.00 14.13 C ATOM 623 C TYR A 59 37.509 27.076 39.384 1.00 15.21 C ATOM 624 O TYR A 59 37.862 27.942 40.171 1.00 14.25 O ATOM 625 CB TYR A 59 35.285 26.187 40.259 1.00 14.11 C ATOM 626 CG TYR A 59 34.701 27.058 39.147 1.00 16.33 C ATOM 627 CD1 TYR A 59 34.776 28.426 39.270 1.00 16.57 C ATOM 628 CD2 TYR A 59 34.122 26.515 38.049 1.00 13.45 C ATOM 629 CE1 TYR A 59 34.306 29.242 38.315 1.00 16.01 C ATOM 630 CE2 TYR A 59 33.640 27.345 37.069 1.00 17.28 C ATOM 631 CZ TYR A 59 33.727 28.721 37.213 1.00 17.14 C ATOM 632 OH TYR A 59 33.263 29.604 36.265 1.00 22.76 O ATOM 0 H TYR A 59 36.991 25.207 41.771 1.00 15.56 H new ATOM 0 HA TYR A 59 36.720 25.187 39.122 1.00 14.13 H new ATOM 0 HB2 TYR A 59 34.752 25.385 40.378 1.00 14.11 H new ATOM 0 HB3 TYR A 59 35.275 26.663 41.104 1.00 14.11 H new ATOM 0 HD1 TYR A 59 35.161 28.793 40.033 1.00 16.57 H new ATOM 0 HD2 TYR A 59 34.052 25.592 37.961 1.00 13.45 H new ATOM 0 HE1 TYR A 59 34.379 30.164 38.412 1.00 16.01 H new ATOM 0 HE2 TYR A 59 33.253 26.983 36.305 1.00 17.28 H new ATOM 0 HH TYR A 59 32.925 29.177 35.626 1.00 22.76 H new ATOM 642 N LYS A 60 37.725 27.076 38.107 1.00 16.74 N ATOM 643 CA LYS A 60 38.426 28.144 37.360 1.00 20.28 C ATOM 644 C LYS A 60 37.779 28.051 36.012 1.00 24.50 C ATOM 645 O LYS A 60 37.214 27.045 35.619 1.00 25.06 O ATOM 646 CB LYS A 60 39.931 27.894 37.083 1.00 21.53 C ATOM 647 CG LYS A 60 40.845 28.388 38.175 1.00 24.18 C ATOM 648 CD LYS A 60 42.295 28.175 37.690 1.00 22.51 C ATOM 649 CE LYS A 60 43.268 28.556 38.823 1.00 25.23 C ATOM 650 NZ LYS A 60 44.596 27.928 38.577 0.01 23.74 N ATOM 0 H LYS A 60 37.465 26.432 37.600 1.00 16.74 H new ATOM 0 HA LYS A 60 38.369 28.972 37.862 1.00 20.28 H new ATOM 0 HB2 LYS A 60 40.074 26.943 36.960 1.00 21.53 H new ATOM 0 HB3 LYS A 60 40.174 28.328 36.250 1.00 21.53 H new ATOM 0 HG2 LYS A 60 40.681 29.326 38.361 1.00 24.18 H new ATOM 0 HG3 LYS A 60 40.686 27.903 39.000 1.00 24.18 H new ATOM 0 HD2 LYS A 60 42.429 27.250 37.431 1.00 22.51 H new ATOM 0 HD3 LYS A 60 42.468 28.717 36.904 1.00 22.51 H new ATOM 0 HE2 LYS A 60 43.360 29.520 38.871 1.00 25.23 H new ATOM 0 HE3 LYS A 60 42.915 28.262 39.677 1.00 25.23 H new ATOM 0 HZ1 LYS A 60 45.156 28.150 39.233 0.01 23.74 H new ATOM 0 HZ2 LYS A 60 44.506 27.043 38.551 0.01 23.74 H new ATOM 0 HZ3 LYS A 60 44.921 28.216 37.800 0.01 23.74 H new ATOM 664 N SER A 61 37.921 29.126 35.328 1.00 28.63 N ATOM 665 CA SER A 61 37.355 29.196 33.973 1.00 32.10 C ATOM 666 C SER A 61 38.666 28.960 33.171 1.00 29.24 C ATOM 667 O SER A 61 39.729 29.372 33.593 1.00 31.92 O ATOM 668 CB SER A 61 36.768 30.624 33.797 1.00 37.49 C ATOM 669 OG SER A 61 36.037 30.605 32.568 1.00 41.38 O ATOM 0 H SER A 61 38.330 29.834 35.596 1.00 28.63 H new ATOM 0 HA SER A 61 36.639 28.590 33.727 1.00 32.10 H new ATOM 0 HB2 SER A 61 36.190 30.855 34.541 1.00 37.49 H new ATOM 0 HB3 SER A 61 37.474 31.288 33.770 1.00 37.49 H new ATOM 0 HG SER A 61 35.698 31.361 32.432 1.00 41.38 H new ATOM 675 N GLY A 62 38.591 28.296 32.069 1.00 25.12 N ATOM 676 CA GLY A 62 39.820 28.057 31.257 1.00 25.33 C ATOM 677 C GLY A 62 40.611 26.845 31.714 1.00 25.97 C ATOM 678 O GLY A 62 41.809 26.946 31.881 1.00 33.34 O ATOM 0 H GLY A 62 37.867 27.964 31.744 1.00 25.12 H new ATOM 0 HA2 GLY A 62 39.569 27.941 30.327 1.00 25.33 H new ATOM 0 HA3 GLY A 62 40.388 28.842 31.301 1.00 25.33 H new ATOM 682 N ILE A 63 39.963 25.734 31.890 1.00 22.81 N ATOM 683 CA ILE A 63 40.688 24.517 32.346 1.00 20.05 C ATOM 684 C ILE A 63 41.039 23.579 31.195 1.00 18.31 C ATOM 685 O ILE A 63 40.250 23.409 30.275 1.00 18.59 O ATOM 686 CB ILE A 63 39.775 23.754 33.389 1.00 19.98 C ATOM 687 CG1 ILE A 63 39.558 24.653 34.643 1.00 21.66 C ATOM 688 CG2 ILE A 63 40.365 22.354 33.807 1.00 19.97 C ATOM 689 CD1 ILE A 63 38.531 24.034 35.613 1.00 22.04 C ATOM 0 H ILE A 63 39.119 25.632 31.762 1.00 22.81 H new ATOM 0 HA ILE A 63 41.525 24.797 32.749 1.00 20.05 H new ATOM 0 HB ILE A 63 38.924 23.575 32.959 1.00 19.98 H new ATOM 0 HG12 ILE A 63 40.403 24.779 35.102 1.00 21.66 H new ATOM 0 HG13 ILE A 63 39.253 25.531 34.364 1.00 21.66 H new ATOM 0 HG21 ILE A 63 39.770 21.929 34.445 1.00 19.97 H new ATOM 0 HG22 ILE A 63 40.451 21.791 33.022 1.00 19.97 H new ATOM 0 HG23 ILE A 63 41.237 22.478 34.212 1.00 19.97 H new ATOM 0 HD11 ILE A 63 38.419 24.616 36.381 1.00 22.04 H new ATOM 0 HD12 ILE A 63 37.680 23.930 35.160 1.00 22.04 H new ATOM 0 HD13 ILE A 63 38.848 23.166 35.909 1.00 22.04 H new ATOM 701 N GLN A 64 42.210 23.004 31.284 1.00 14.68 N ATOM 702 CA GLN A 64 42.652 22.044 30.262 1.00 16.13 C ATOM 703 C GLN A 64 42.897 20.829 31.208 1.00 16.60 C ATOM 704 O GLN A 64 43.492 20.970 32.274 1.00 16.30 O ATOM 705 CB GLN A 64 43.974 22.407 29.578 1.00 17.33 C ATOM 706 CG GLN A 64 44.214 21.301 28.523 1.00 22.12 C ATOM 707 CD GLN A 64 45.581 21.451 27.857 1.00 26.56 C ATOM 708 OE1 GLN A 64 46.600 21.382 28.504 1.00 28.48 O ATOM 709 NE2 GLN A 64 45.668 21.656 26.582 1.00 26.67 N ATOM 0 H GLN A 64 42.774 23.143 31.918 1.00 14.68 H new ATOM 0 HA GLN A 64 42.031 21.948 29.523 1.00 16.13 H new ATOM 0 HB2 GLN A 64 43.923 23.281 29.161 1.00 17.33 H new ATOM 0 HB3 GLN A 64 44.701 22.441 30.219 1.00 17.33 H new ATOM 0 HG2 GLN A 64 44.152 20.430 28.946 1.00 22.12 H new ATOM 0 HG3 GLN A 64 43.518 21.339 27.848 1.00 22.12 H new ATOM 0 HE21 GLN A 64 44.954 21.708 26.105 1.00 26.67 H new ATOM 0 HE22 GLN A 64 46.440 21.740 26.212 1.00 26.67 H new ATOM 718 N VAL A 65 42.432 19.686 30.775 1.00 15.33 N ATOM 719 CA VAL A 65 42.569 18.446 31.557 1.00 13.89 C ATOM 720 C VAL A 65 43.707 17.654 30.883 1.00 14.83 C ATOM 721 O VAL A 65 43.758 17.504 29.673 1.00 14.40 O ATOM 722 CB VAL A 65 41.192 17.695 31.484 1.00 15.87 C ATOM 723 CG1 VAL A 65 41.242 16.395 32.280 1.00 18.40 C ATOM 724 CG2 VAL A 65 40.015 18.548 32.066 1.00 15.95 C ATOM 0 H VAL A 65 42.026 19.588 30.023 1.00 15.33 H new ATOM 0 HA VAL A 65 42.783 18.584 32.493 1.00 13.89 H new ATOM 0 HB VAL A 65 41.034 17.524 30.542 1.00 15.87 H new ATOM 0 HG11 VAL A 65 40.384 15.947 32.223 1.00 18.40 H new ATOM 0 HG12 VAL A 65 41.932 15.819 31.916 1.00 18.40 H new ATOM 0 HG13 VAL A 65 41.442 16.591 33.209 1.00 18.40 H new ATOM 0 HG21 VAL A 65 39.188 18.046 32.000 1.00 15.95 H new ATOM 0 HG22 VAL A 65 40.194 18.755 32.997 1.00 15.95 H new ATOM 0 HG23 VAL A 65 39.933 19.373 31.562 1.00 15.95 H new ATOM 734 N ARG A 66 44.596 17.159 31.682 1.00 13.84 N ATOM 735 CA ARG A 66 45.713 16.384 31.124 1.00 16.13 C ATOM 736 C ARG A 66 45.585 14.989 31.800 1.00 17.99 C ATOM 737 O ARG A 66 45.550 14.894 33.028 1.00 13.52 O ATOM 738 CB ARG A 66 47.060 17.093 31.467 1.00 15.10 C ATOM 739 CG ARG A 66 47.073 18.500 30.820 1.00 16.53 C ATOM 740 CD ARG A 66 48.457 19.146 30.983 1.00 16.20 C ATOM 741 NE ARG A 66 48.463 20.389 30.168 1.00 21.23 N ATOM 742 CZ ARG A 66 49.527 20.793 29.535 1.00 19.63 C ATOM 743 NH1 ARG A 66 50.688 20.376 29.925 1.00 19.81 N ATOM 744 NH2 ARG A 66 49.395 21.604 28.523 1.00 21.78 N ATOM 0 H ARG A 66 44.595 17.244 32.538 1.00 13.84 H new ATOM 0 HA ARG A 66 45.693 16.305 30.157 1.00 16.13 H new ATOM 0 HB2 ARG A 66 47.164 17.166 32.429 1.00 15.10 H new ATOM 0 HB3 ARG A 66 47.807 16.568 31.140 1.00 15.10 H new ATOM 0 HG2 ARG A 66 46.849 18.433 29.879 1.00 16.53 H new ATOM 0 HG3 ARG A 66 46.397 19.060 31.233 1.00 16.53 H new ATOM 0 HD2 ARG A 66 48.633 19.348 31.915 1.00 16.20 H new ATOM 0 HD3 ARG A 66 49.154 18.540 30.688 1.00 16.20 H new ATOM 0 HE ARG A 66 47.742 20.855 30.113 1.00 21.23 H new ATOM 0 HH11 ARG A 66 50.750 19.839 30.594 1.00 19.81 H new ATOM 0 HH12 ARG A 66 51.398 20.636 29.515 1.00 19.81 H new ATOM 0 HH21 ARG A 66 48.612 21.866 28.281 1.00 21.78 H new ATOM 0 HH22 ARG A 66 50.091 21.877 28.097 1.00 21.78 H new ATOM 758 N LEU A 67 45.493 14.027 30.880 1.00 15.77 N ATOM 759 CA LEU A 67 45.369 12.594 31.258 1.00 15.96 C ATOM 760 C LEU A 67 46.672 11.855 30.870 1.00 16.05 C ATOM 761 O LEU A 67 47.372 12.284 29.976 1.00 18.18 O ATOM 762 CB ALEU A 67 44.188 11.952 30.442 0.73 17.53 C ATOM 763 CB BLEU A 67 44.158 11.926 30.487 0.43 15.48 C ATOM 764 CG ALEU A 67 42.900 12.816 30.432 0.73 18.91 C ATOM 765 CG BLEU A 67 42.805 12.660 30.777 0.43 15.88 C ATOM 766 CD1ALEU A 67 41.865 12.206 29.454 0.73 20.04 C ATOM 767 CD1BLEU A 67 42.482 13.701 29.664 0.43 15.11 C ATOM 768 CD2ALEU A 67 42.261 12.877 31.855 0.73 20.09 C ATOM 769 CD2BLEU A 67 41.634 11.650 30.887 0.43 16.40 C ATOM 0 H LEU A 67 45.499 14.171 30.032 1.00 15.77 H new ATOM 0 HA LEU A 67 45.207 12.522 32.212 1.00 15.96 H new ATOM 0 HB2ALEU A 67 44.478 11.806 29.528 0.73 15.48 H new ATOM 0 HB2BLEU A 67 44.335 11.940 29.533 0.43 15.48 H new ATOM 0 HB3ALEU A 67 43.982 11.081 30.816 0.73 15.48 H new ATOM 0 HB3BLEU A 67 44.083 10.995 30.748 0.43 15.48 H new ATOM 0 HG ALEU A 67 43.143 13.712 30.150 0.73 15.88 H new ATOM 0 HG BLEU A 67 42.906 13.122 31.624 0.43 15.88 H new ATOM 0 HD11ALEU A 67 41.062 12.750 29.452 0.73 15.11 H new ATOM 0 HD11BLEU A 67 41.641 14.141 29.866 0.43 15.11 H new ATOM 0 HD12ALEU A 67 42.240 12.180 28.560 0.73 15.11 H new ATOM 0 HD12BLEU A 67 43.191 14.362 29.623 0.43 15.11 H new ATOM 0 HD13ALEU A 67 41.644 11.305 29.737 0.73 15.11 H new ATOM 0 HD13BLEU A 67 42.412 13.249 28.808 0.43 15.11 H new ATOM 0 HD21ALEU A 67 41.458 13.421 31.827 0.73 16.40 H new ATOM 0 HD21BLEU A 67 40.810 12.128 31.066 0.43 16.40 H new ATOM 0 HD22ALEU A 67 42.033 11.980 32.146 0.73 16.40 H new ATOM 0 HD22BLEU A 67 41.549 11.161 30.054 0.43 16.40 H new ATOM 0 HD23ALEU A 67 42.894 13.268 32.478 0.73 16.40 H new ATOM 0 HD23BLEU A 67 41.810 11.028 31.610 0.43 16.40 H new ATOM 790 N GLY A 69 47.012 10.768 31.538 1.00 16.41 N ATOM 791 CA GLY A 69 48.241 9.966 31.255 1.00 18.76 C ATOM 792 C GLY A 69 49.483 10.674 31.633 1.00 19.30 C ATOM 793 O GLY A 69 50.533 10.479 31.036 1.00 23.57 O ATOM 0 H GLY A 69 46.541 10.452 32.184 1.00 16.41 H new ATOM 0 HA2 GLY A 69 48.193 9.126 31.737 1.00 18.76 H new ATOM 0 HA3 GLY A 69 48.271 9.750 30.310 1.00 18.76 H new ATOM 797 N GLU A 70 49.331 11.478 32.635 1.00 20.21 N ATOM 798 CA GLU A 70 50.473 12.271 33.130 1.00 23.97 C ATOM 799 C GLU A 70 51.217 11.599 34.223 1.00 26.03 C ATOM 800 O GLU A 70 50.651 10.947 35.073 1.00 26.81 O ATOM 801 CB GLU A 70 50.058 13.607 33.753 1.00 26.13 C ATOM 802 CG GLU A 70 49.640 14.609 32.708 1.00 29.36 C ATOM 803 CD GLU A 70 50.875 15.354 32.196 1.00 27.79 C ATOM 804 OE1 GLU A 70 51.952 14.814 32.295 1.00 29.04 O ATOM 805 OE2 GLU A 70 50.660 16.444 31.720 1.00 32.83 O ATOM 0 H GLU A 70 48.592 11.598 33.058 1.00 20.21 H new ATOM 0 HA GLU A 70 51.010 12.388 32.331 1.00 23.97 H new ATOM 0 HB2 GLU A 70 49.325 13.461 34.372 1.00 26.13 H new ATOM 0 HB3 GLU A 70 50.797 13.967 34.268 1.00 26.13 H new ATOM 0 HG2 GLU A 70 49.194 14.159 31.974 1.00 29.36 H new ATOM 0 HG3 GLU A 70 49.004 15.237 33.084 1.00 29.36 H new ATOM 812 N ASP A 71 52.493 11.807 34.144 1.00 29.01 N ATOM 813 CA ASP A 71 53.394 11.235 35.169 1.00 32.04 C ATOM 814 C ASP A 71 54.135 12.490 35.582 1.00 29.94 C ATOM 815 O ASP A 71 53.905 13.004 36.655 1.00 32.75 O ATOM 816 CB ASP A 71 54.330 10.149 34.550 1.00 35.94 C ATOM 817 CG ASP A 71 55.325 9.673 35.646 1.00 42.13 C ATOM 818 OD1 ASP A 71 55.023 9.782 36.836 1.00 48.30 O ATOM 819 OD2 ASP A 71 56.363 9.201 35.214 1.00 48.58 O ATOM 0 H ASP A 71 52.880 12.264 33.527 1.00 29.01 H new ATOM 0 HA ASP A 71 52.963 10.768 35.902 1.00 32.04 H new ATOM 0 HB2 ASP A 71 53.807 9.401 34.221 1.00 35.94 H new ATOM 0 HB3 ASP A 71 54.813 10.513 33.791 1.00 35.94 H new ATOM 824 N ASN A 72 54.986 12.977 34.716 1.00 29.52 N ATOM 825 CA ASN A 72 55.744 14.217 35.055 1.00 26.60 C ATOM 826 C ASN A 72 54.986 15.342 34.361 1.00 22.40 C ATOM 827 O ASN A 72 54.856 15.328 33.126 1.00 18.61 O ATOM 828 CB ASN A 72 57.159 14.173 34.503 1.00 29.13 C ATOM 829 CG ASN A 72 57.929 15.416 34.990 1.00 31.23 C ATOM 830 OD1 ASN A 72 57.405 16.509 35.047 1.00 29.18 O ATOM 831 ND2 ASN A 72 59.171 15.321 35.347 1.00 34.12 N ATOM 0 H ASN A 72 55.155 12.638 33.944 1.00 29.52 H new ATOM 0 HA ASN A 72 55.812 14.329 36.016 1.00 26.60 H new ATOM 0 HB2 ASN A 72 57.608 13.365 34.797 1.00 29.13 H new ATOM 0 HB3 ASN A 72 57.139 14.150 33.533 1.00 29.13 H new ATOM 0 HD21 ASN A 72 59.596 16.019 35.613 1.00 34.12 H new ATOM 0 HD22 ASN A 72 59.570 14.560 35.318 1.00 34.12 H new ATOM 838 N ILE A 73 54.505 16.258 35.148 1.00 21.89 N ATOM 839 CA ILE A 73 53.735 17.406 34.568 1.00 24.37 C ATOM 840 C ILE A 73 54.558 18.443 33.772 1.00 22.59 C ATOM 841 O ILE A 73 53.992 19.275 33.070 1.00 20.95 O ATOM 842 CB ILE A 73 52.983 18.102 35.698 1.00 27.04 C ATOM 843 CG1 ILE A 73 53.908 18.433 36.895 1.00 28.31 C ATOM 844 CG2 ILE A 73 51.815 17.136 36.111 1.00 29.37 C ATOM 845 CD1 ILE A 73 53.066 19.135 38.003 1.00 28.90 C ATOM 0 H ILE A 73 54.591 16.267 36.004 1.00 21.89 H new ATOM 0 HA ILE A 73 53.139 17.017 33.909 1.00 24.37 H new ATOM 0 HB ILE A 73 52.636 18.959 35.403 1.00 27.04 H new ATOM 0 HG12 ILE A 73 54.310 17.622 37.243 1.00 28.31 H new ATOM 0 HG13 ILE A 73 54.634 19.010 36.609 1.00 28.31 H new ATOM 0 HG21 ILE A 73 51.303 17.536 36.832 1.00 29.37 H new ATOM 0 HG22 ILE A 73 51.235 16.985 35.348 1.00 29.37 H new ATOM 0 HG23 ILE A 73 52.184 16.290 36.408 1.00 29.37 H new ATOM 0 HD11 ILE A 73 53.637 19.347 38.758 1.00 28.90 H new ATOM 0 HD12 ILE A 73 52.682 19.953 37.649 1.00 28.90 H new ATOM 0 HD13 ILE A 73 52.354 18.543 38.292 1.00 28.90 H new ATOM 857 N ASN A 74 55.850 18.358 33.892 1.00 19.98 N ATOM 858 CA ASN A 74 56.743 19.295 33.162 1.00 19.96 C ATOM 859 C ASN A 74 57.421 18.652 31.961 1.00 17.17 C ATOM 860 O ASN A 74 58.153 19.328 31.265 1.00 17.13 O ATOM 861 CB ASN A 74 57.799 19.827 34.106 1.00 18.43 C ATOM 862 CG ASN A 74 57.225 21.016 34.926 1.00 19.73 C ATOM 863 OD1 ASN A 74 56.404 21.830 34.495 1.00 12.83 O ATOM 864 ND2 ASN A 74 57.653 21.167 36.142 1.00 20.47 N ATOM 0 H ASN A 74 56.256 17.779 34.381 1.00 19.98 H new ATOM 0 HA ASN A 74 56.186 20.015 32.827 1.00 19.96 H new ATOM 0 HB2 ASN A 74 58.093 19.123 34.705 1.00 18.43 H new ATOM 0 HB3 ASN A 74 58.577 20.116 33.604 1.00 18.43 H new ATOM 0 HD21 ASN A 74 57.364 21.820 36.622 1.00 20.47 H new ATOM 0 HD22 ASN A 74 58.225 20.614 36.468 1.00 20.47 H new ATOM 871 N VAL A 75 57.177 17.383 31.726 1.00 20.67 N ATOM 872 CA VAL A 75 57.808 16.663 30.538 1.00 21.36 C ATOM 873 C VAL A 75 56.779 15.923 29.690 1.00 23.58 C ATOM 874 O VAL A 75 56.048 15.122 30.269 1.00 28.46 O ATOM 875 CB VAL A 75 58.810 15.614 30.998 1.00 20.62 C ATOM 876 CG1 VAL A 75 59.435 14.947 29.728 1.00 19.96 C ATOM 877 CG2 VAL A 75 59.893 16.286 31.887 1.00 21.43 C ATOM 0 H VAL A 75 56.663 16.892 32.210 1.00 20.67 H new ATOM 0 HA VAL A 75 58.235 17.361 30.017 1.00 21.36 H new ATOM 0 HB VAL A 75 58.378 14.929 31.532 1.00 20.62 H new ATOM 0 HG11 VAL A 75 60.078 14.273 29.999 1.00 19.96 H new ATOM 0 HG12 VAL A 75 58.734 14.531 29.203 1.00 19.96 H new ATOM 0 HG13 VAL A 75 59.881 15.623 29.194 1.00 19.96 H new ATOM 0 HG21 VAL A 75 60.532 15.617 32.180 1.00 21.43 H new ATOM 0 HG22 VAL A 75 60.353 16.970 31.376 1.00 21.43 H new ATOM 0 HG23 VAL A 75 59.471 16.691 32.661 1.00 21.43 H new ATOM 887 N VAL A 76 56.696 16.114 28.397 1.00 24.41 N ATOM 888 CA VAL A 76 55.698 15.401 27.548 1.00 25.79 C ATOM 889 C VAL A 76 56.480 14.161 27.163 1.00 27.34 C ATOM 890 O VAL A 76 57.418 14.232 26.408 1.00 26.30 O ATOM 891 CB VAL A 76 55.338 16.203 26.293 1.00 28.06 C ATOM 892 CG1 VAL A 76 54.197 15.458 25.533 1.00 28.25 C ATOM 893 CG2 VAL A 76 54.828 17.616 26.638 1.00 28.39 C ATOM 0 H VAL A 76 57.204 16.655 27.962 1.00 24.41 H new ATOM 0 HA VAL A 76 54.853 15.238 27.996 1.00 25.79 H new ATOM 0 HB VAL A 76 56.140 16.285 25.754 1.00 28.06 H new ATOM 0 HG11 VAL A 76 53.960 15.957 24.735 1.00 28.25 H new ATOM 0 HG12 VAL A 76 54.500 14.572 25.281 1.00 28.25 H new ATOM 0 HG13 VAL A 76 53.420 15.382 26.109 1.00 28.25 H new ATOM 0 HG21 VAL A 76 54.611 18.091 25.820 1.00 28.39 H new ATOM 0 HG22 VAL A 76 54.034 17.548 27.192 1.00 28.39 H new ATOM 0 HG23 VAL A 76 55.517 18.100 27.120 1.00 28.39 H new ATOM 903 N GLU A 77 56.041 13.070 27.716 1.00 32.12 N ATOM 904 CA GLU A 77 56.667 11.752 27.489 1.00 36.58 C ATOM 905 C GLU A 77 55.856 10.938 26.527 1.00 40.06 C ATOM 906 O GLU A 77 55.942 9.732 26.610 1.00 46.52 O ATOM 907 CB GLU A 77 56.779 11.020 28.861 1.00 37.15 C ATOM 908 CG GLU A 77 57.744 11.853 29.752 1.00 42.85 C ATOM 909 CD GLU A 77 57.692 11.469 31.250 1.00 45.26 C ATOM 910 OE1 GLU A 77 56.910 12.039 31.995 1.00 43.46 O ATOM 911 OE2 GLU A 77 58.468 10.594 31.582 1.00 53.38 O ATOM 0 H GLU A 77 55.363 13.047 28.245 1.00 32.12 H new ATOM 0 HA GLU A 77 57.549 11.871 27.102 1.00 36.58 H new ATOM 0 HB2 GLU A 77 55.907 10.943 29.280 1.00 37.15 H new ATOM 0 HB3 GLU A 77 57.117 10.119 28.741 1.00 37.15 H new ATOM 0 HG2 GLU A 77 58.651 11.738 29.428 1.00 42.85 H new ATOM 0 HG3 GLU A 77 57.526 12.794 29.659 1.00 42.85 H new ATOM 918 N GLY A 78 55.082 11.549 25.665 1.00 39.40 N ATOM 919 CA GLY A 78 54.295 10.697 24.706 1.00 40.66 C ATOM 920 C GLY A 78 52.926 10.109 25.082 1.00 40.23 C ATOM 921 O GLY A 78 52.098 10.053 24.205 1.00 42.12 O ATOM 0 H GLY A 78 54.978 12.400 25.593 1.00 39.40 H new ATOM 0 HA2 GLY A 78 54.162 11.226 23.904 1.00 40.66 H new ATOM 0 HA3 GLY A 78 54.864 9.950 24.462 1.00 40.66 H new ATOM 925 N ASN A 79 52.648 9.687 26.297 1.00 38.92 N ATOM 926 CA ASN A 79 51.281 9.102 26.593 1.00 37.77 C ATOM 927 C ASN A 79 50.289 10.096 27.139 1.00 32.81 C ATOM 928 O ASN A 79 49.462 9.735 27.962 1.00 36.52 O ATOM 929 CB ASN A 79 51.351 8.012 27.654 1.00 45.34 C ATOM 930 CG ASN A 79 52.477 7.049 27.389 1.00 52.50 C ATOM 931 OD1 ASN A 79 53.338 6.898 28.238 1.00 54.48 O ATOM 932 ND2 ASN A 79 52.507 6.391 26.259 1.00 56.85 N ATOM 0 H ASN A 79 53.190 9.713 26.964 1.00 38.92 H new ATOM 0 HA ASN A 79 50.991 8.772 25.728 1.00 37.77 H new ATOM 0 HB2 ASN A 79 51.470 8.417 28.527 1.00 45.34 H new ATOM 0 HB3 ASN A 79 50.510 7.529 27.678 1.00 45.34 H new ATOM 0 HD21 ASN A 79 53.145 5.836 26.101 1.00 56.85 H new ATOM 0 HD22 ASN A 79 51.889 6.513 25.674 1.00 56.85 H new ATOM 939 N GLU A 80 50.324 11.303 26.696 1.00 27.12 N ATOM 940 CA GLU A 80 49.342 12.249 27.280 1.00 24.79 C ATOM 941 C GLU A 80 48.259 12.590 26.342 1.00 19.20 C ATOM 942 O GLU A 80 48.393 12.371 25.166 1.00 18.42 O ATOM 943 CB GLU A 80 50.003 13.579 27.669 1.00 25.58 C ATOM 944 CG GLU A 80 51.068 13.346 28.747 1.00 24.55 C ATOM 945 CD GLU A 80 52.483 13.140 28.158 1.00 23.05 C ATOM 946 OE1 GLU A 80 52.685 12.716 27.039 1.00 18.94 O ATOM 947 OE2 GLU A 80 53.350 13.435 28.931 1.00 24.34 O ATOM 0 H GLU A 80 50.857 11.615 26.098 1.00 27.12 H new ATOM 0 HA GLU A 80 48.985 11.790 28.056 1.00 24.79 H new ATOM 0 HB2 GLU A 80 50.408 13.987 26.888 1.00 25.58 H new ATOM 0 HB3 GLU A 80 49.332 14.198 27.997 1.00 25.58 H new ATOM 0 HG2 GLU A 80 51.081 14.104 29.352 1.00 24.55 H new ATOM 0 HG3 GLU A 80 50.825 12.568 29.273 1.00 24.55 H new ATOM 954 N GLN A 81 47.224 13.100 26.926 1.00 16.33 N ATOM 955 CA GLN A 81 46.051 13.536 26.178 1.00 16.46 C ATOM 956 C GLN A 81 45.750 14.851 26.912 1.00 16.80 C ATOM 957 O GLN A 81 45.592 14.840 28.122 1.00 16.93 O ATOM 958 CB GLN A 81 44.833 12.545 26.312 1.00 17.66 C ATOM 959 CG GLN A 81 45.082 11.259 25.521 1.00 22.36 C ATOM 960 CD GLN A 81 43.874 10.316 25.674 1.00 22.04 C ATOM 961 OE1 GLN A 81 42.766 10.660 25.324 1.00 21.96 O ATOM 962 NE2 GLN A 81 44.022 9.133 26.186 1.00 23.22 N ATOM 0 H GLN A 81 47.162 13.213 27.776 1.00 16.33 H new ATOM 0 HA GLN A 81 46.197 13.600 25.221 1.00 16.46 H new ATOM 0 HB2 GLN A 81 44.688 12.331 27.247 1.00 17.66 H new ATOM 0 HB3 GLN A 81 44.025 12.975 25.991 1.00 17.66 H new ATOM 0 HG2 GLN A 81 45.225 11.467 24.584 1.00 22.36 H new ATOM 0 HG3 GLN A 81 45.887 10.823 25.841 1.00 22.36 H new ATOM 0 HE21 GLN A 81 44.800 8.869 26.441 1.00 23.22 H new ATOM 0 HE22 GLN A 81 43.342 8.613 26.270 1.00 23.22 H new ATOM 971 N PHE A 82 45.684 15.940 26.215 1.00 16.57 N ATOM 972 CA PHE A 82 45.387 17.271 26.821 1.00 18.33 C ATOM 973 C PHE A 82 44.065 17.642 26.173 1.00 17.12 C ATOM 974 O PHE A 82 44.058 17.891 24.982 1.00 19.23 O ATOM 975 CB PHE A 82 46.484 18.248 26.427 1.00 19.53 C ATOM 976 CG PHE A 82 47.885 17.895 26.999 1.00 23.90 C ATOM 977 CD1 PHE A 82 48.988 18.540 26.479 1.00 24.34 C ATOM 978 CD2 PHE A 82 48.082 16.974 28.030 1.00 23.35 C ATOM 979 CE1 PHE A 82 50.249 18.282 26.962 1.00 23.09 C ATOM 980 CE2 PHE A 82 49.336 16.718 28.512 1.00 24.53 C ATOM 981 CZ PHE A 82 50.426 17.376 27.974 1.00 23.95 C ATOM 0 H PHE A 82 45.806 15.965 25.364 1.00 16.57 H new ATOM 0 HA PHE A 82 45.343 17.276 27.790 1.00 18.33 H new ATOM 0 HB2 PHE A 82 46.540 18.283 25.459 1.00 19.53 H new ATOM 0 HB3 PHE A 82 46.237 19.136 26.729 1.00 19.53 H new ATOM 0 HD1 PHE A 82 48.877 19.158 25.793 1.00 24.34 H new ATOM 0 HD2 PHE A 82 47.351 16.529 28.394 1.00 23.35 H new ATOM 0 HE1 PHE A 82 50.984 18.724 26.601 1.00 23.09 H new ATOM 0 HE2 PHE A 82 49.455 16.103 29.200 1.00 24.53 H new ATOM 0 HZ PHE A 82 51.280 17.204 28.299 1.00 23.95 H new ATOM 991 N ILE A 83 42.993 17.664 26.909 1.00 15.31 N ATOM 992 CA ILE A 83 41.660 18.020 26.314 1.00 16.37 C ATOM 993 C ILE A 83 41.064 19.182 27.105 1.00 16.47 C ATOM 994 O ILE A 83 41.163 19.257 28.317 1.00 15.55 O ATOM 995 CB ILE A 83 40.708 16.789 26.372 1.00 17.36 C ATOM 996 CG1 ILE A 83 41.396 15.543 25.708 1.00 15.82 C ATOM 997 CG2 ILE A 83 39.345 17.110 25.606 1.00 16.33 C ATOM 998 CD1 ILE A 83 40.706 14.282 26.216 1.00 16.72 C ATOM 0 H ILE A 83 42.977 17.484 27.750 1.00 15.31 H new ATOM 0 HA ILE A 83 41.772 18.280 25.386 1.00 16.37 H new ATOM 0 HB ILE A 83 40.515 16.593 27.302 1.00 17.36 H new ATOM 0 HG12 ILE A 83 41.331 15.597 24.742 1.00 15.82 H new ATOM 0 HG13 ILE A 83 42.341 15.522 25.928 1.00 15.82 H new ATOM 0 HG21 ILE A 83 38.760 16.337 25.648 1.00 16.33 H new ATOM 0 HG22 ILE A 83 38.909 17.868 26.025 1.00 16.33 H new ATOM 0 HG23 ILE A 83 39.536 17.320 24.678 1.00 16.33 H new ATOM 0 HD11 ILE A 83 41.120 13.502 25.814 1.00 16.72 H new ATOM 0 HD12 ILE A 83 40.792 14.232 27.181 1.00 16.72 H new ATOM 0 HD13 ILE A 83 39.766 14.308 25.976 1.00 16.72 H new ATOM 1010 N SER A 84 40.446 20.066 26.404 1.00 14.74 N ATOM 1011 CA SER A 84 39.845 21.214 27.094 1.00 18.91 C ATOM 1012 C SER A 84 38.495 20.799 27.645 1.00 17.87 C ATOM 1013 O SER A 84 37.856 19.918 27.092 1.00 15.21 O ATOM 1014 CB SER A 84 39.674 22.328 26.094 1.00 23.49 C ATOM 1015 OG SER A 84 40.991 22.486 25.550 1.00 27.05 O ATOM 0 H SER A 84 40.349 20.048 25.550 1.00 14.74 H new ATOM 0 HA SER A 84 40.409 21.514 27.824 1.00 18.91 H new ATOM 0 HB2 SER A 84 39.028 22.097 25.408 1.00 23.49 H new ATOM 0 HB3 SER A 84 39.361 23.143 26.516 1.00 23.49 H new ATOM 0 HG SER A 84 40.985 23.097 24.973 1.00 27.05 H new ATOM 1021 N ALA A 85 38.128 21.481 28.702 1.00 15.41 N ATOM 1022 CA ALA A 85 36.839 21.215 29.368 1.00 15.02 C ATOM 1023 C ALA A 85 35.793 22.026 28.584 1.00 18.28 C ATOM 1024 O ALA A 85 36.063 23.139 28.157 1.00 18.43 O ATOM 1025 CB ALA A 85 36.864 21.699 30.818 1.00 15.35 C ATOM 0 H ALA A 85 38.597 22.105 29.063 1.00 15.41 H new ATOM 0 HA ALA A 85 36.644 20.265 29.380 1.00 15.02 H new ATOM 0 HB1 ALA A 85 36.008 21.514 31.236 1.00 15.35 H new ATOM 0 HB2 ALA A 85 37.566 21.236 31.302 1.00 15.35 H new ATOM 0 HB3 ALA A 85 37.034 22.654 30.838 1.00 15.35 H new ATOM 1031 N SER A 86 34.641 21.451 28.420 1.00 18.87 N ATOM 1032 CA SER A 86 33.560 22.131 27.684 1.00 19.34 C ATOM 1033 C SER A 86 32.703 22.795 28.743 1.00 18.80 C ATOM 1034 O SER A 86 32.135 23.828 28.428 1.00 21.36 O ATOM 1035 CB SER A 86 32.685 21.116 26.842 1.00 18.38 C ATOM 1036 OG SER A 86 32.392 19.982 27.644 1.00 17.78 O ATOM 0 H SER A 86 34.441 20.669 28.717 1.00 18.87 H new ATOM 0 HA SER A 86 33.927 22.765 27.048 1.00 19.34 H new ATOM 0 HB2 SER A 86 31.863 21.542 26.552 1.00 18.38 H new ATOM 0 HB3 SER A 86 33.162 20.846 26.042 1.00 18.38 H new ATOM 0 HG SER A 86 31.926 19.439 27.203 1.00 17.78 H new ATOM 1042 N LYS A 87 32.593 22.164 29.924 1.00 14.99 N ATOM 1043 CA LYS A 87 31.795 22.819 30.963 1.00 17.52 C ATOM 1044 C LYS A 87 32.170 22.317 32.354 1.00 17.12 C ATOM 1045 O LYS A 87 32.778 21.266 32.440 1.00 15.69 O ATOM 1046 CB ALYS A 87 30.276 22.588 30.683 0.51 21.07 C ATOM 1047 CB BLYS A 87 30.254 22.582 30.657 0.50 21.17 C ATOM 1048 CG ALYS A 87 29.751 21.146 30.696 0.51 23.40 C ATOM 1049 CG BLYS A 87 29.705 21.168 30.913 0.50 24.21 C ATOM 1050 CD ALYS A 87 28.225 21.176 30.299 0.51 25.33 C ATOM 1051 CD BLYS A 87 28.166 21.126 30.580 0.50 25.95 C ATOM 1052 CE ALYS A 87 27.372 22.148 31.212 0.51 28.12 C ATOM 1053 CE BLYS A 87 27.909 20.818 29.078 0.50 28.41 C ATOM 1054 NZ ALYS A 87 25.937 22.155 30.783 0.51 29.04 N ATOM 1055 NZ BLYS A 87 26.466 20.475 28.844 0.50 29.11 N ATOM 0 H LYS A 87 32.947 21.408 30.131 1.00 14.99 H new ATOM 0 HA LYS A 87 31.982 23.770 30.939 1.00 17.52 H new ATOM 0 HB2ALYS A 87 29.773 23.093 31.341 0.51 21.17 H new ATOM 0 HB2BLYS A 87 29.740 23.207 31.192 0.50 21.17 H new ATOM 0 HB3ALYS A 87 30.073 22.970 29.815 0.51 21.17 H new ATOM 0 HB3BLYS A 87 30.093 22.805 29.727 0.50 21.17 H new ATOM 0 HG2ALYS A 87 30.252 20.597 30.073 0.51 24.21 H new ATOM 0 HG2BLYS A 87 30.181 20.523 30.366 0.50 24.21 H new ATOM 0 HG3ALYS A 87 29.865 20.752 31.575 0.51 24.21 H new ATOM 0 HG3BLYS A 87 29.851 20.918 31.839 0.50 24.21 H new ATOM 0 HD2ALYS A 87 28.141 21.453 29.373 0.51 25.95 H new ATOM 0 HD2BLYS A 87 27.735 20.451 31.127 0.50 25.95 H new ATOM 0 HD3ALYS A 87 27.861 20.279 30.361 0.51 25.95 H new ATOM 0 HD3BLYS A 87 27.762 21.977 30.809 0.50 25.95 H new ATOM 0 HE2ALYS A 87 27.436 21.868 32.138 0.51 28.41 H new ATOM 0 HE2BLYS A 87 28.155 21.586 28.539 0.50 28.41 H new ATOM 0 HE3ALYS A 87 27.734 23.047 31.162 0.51 28.41 H new ATOM 0 HE3BLYS A 87 28.471 20.081 28.794 0.50 28.41 H new ATOM 0 HZ1ALYS A 87 25.565 22.934 31.001 0.51 29.11 H new ATOM 0 HZ1BLYS A 87 26.204 20.811 28.063 0.50 29.11 H new ATOM 0 HZ2ALYS A 87 25.890 22.041 29.902 0.51 29.11 H new ATOM 0 HZ2BLYS A 87 26.369 19.590 28.834 0.50 29.11 H new ATOM 0 HZ3ALYS A 87 25.502 21.494 31.191 0.51 29.11 H new ATOM 0 HZ3BLYS A 87 25.969 20.820 29.497 0.50 29.11 H new ATOM 1080 N SER A 88 31.789 23.086 33.371 1.00 13.93 N ATOM 1081 CA SER A 88 32.073 22.745 34.787 1.00 14.02 C ATOM 1082 C SER A 88 30.771 22.958 35.520 1.00 14.08 C ATOM 1083 O SER A 88 30.063 23.899 35.205 1.00 12.09 O ATOM 1084 CB SER A 88 33.107 23.665 35.424 1.00 17.22 C ATOM 1085 OG SER A 88 34.321 23.315 34.782 1.00 22.82 O ATOM 0 H SER A 88 31.358 23.823 33.271 1.00 13.93 H new ATOM 0 HA SER A 88 32.421 21.841 34.834 1.00 14.02 H new ATOM 0 HB2 SER A 88 32.887 24.599 35.282 1.00 17.22 H new ATOM 0 HB3 SER A 88 33.160 23.529 36.383 1.00 17.22 H new ATOM 0 HG SER A 88 34.945 23.789 35.085 1.00 22.82 H new ATOM 1091 N ILE A 89 30.507 22.095 36.465 1.00 12.63 N ATOM 1092 CA ILE A 89 29.276 22.130 37.299 1.00 11.04 C ATOM 1093 C ILE A 89 29.696 21.976 38.748 1.00 8.10 C ATOM 1094 O ILE A 89 30.136 20.920 39.135 1.00 8.40 O ATOM 1095 CB ILE A 89 28.300 20.956 36.905 1.00 13.57 C ATOM 1096 CG1 ILE A 89 28.080 20.989 35.344 1.00 17.25 C ATOM 1097 CG2 ILE A 89 26.912 21.174 37.669 1.00 16.09 C ATOM 1098 CD1 ILE A 89 27.292 19.756 34.900 1.00 19.56 C ATOM 0 H ILE A 89 31.035 21.447 36.664 1.00 12.63 H new ATOM 0 HA ILE A 89 28.808 22.968 37.159 1.00 11.04 H new ATOM 0 HB ILE A 89 28.671 20.095 37.155 1.00 13.57 H new ATOM 0 HG12 ILE A 89 27.601 21.795 35.094 1.00 17.25 H new ATOM 0 HG13 ILE A 89 28.937 21.015 34.890 1.00 17.25 H new ATOM 0 HG21 ILE A 89 26.299 20.459 37.437 1.00 16.09 H new ATOM 0 HG22 ILE A 89 27.065 21.170 38.627 1.00 16.09 H new ATOM 0 HG23 ILE A 89 26.529 22.026 37.407 1.00 16.09 H new ATOM 0 HD11 ILE A 89 27.161 19.784 33.939 1.00 19.56 H new ATOM 0 HD12 ILE A 89 27.785 18.955 35.135 1.00 19.56 H new ATOM 0 HD13 ILE A 89 26.429 19.746 35.343 1.00 19.56 H new ATOM 1110 N VAL A 90 29.556 23.016 39.493 1.00 10.53 N ATOM 1111 CA VAL A 90 29.921 22.989 40.921 1.00 8.66 C ATOM 1112 C VAL A 90 28.669 22.466 41.615 1.00 11.46 C ATOM 1113 O VAL A 90 27.586 22.711 41.131 1.00 14.07 O ATOM 1114 CB VAL A 90 30.273 24.455 41.350 1.00 12.11 C ATOM 1115 CG1 VAL A 90 30.375 24.578 42.861 1.00 11.99 C ATOM 1116 CG2 VAL A 90 31.605 24.932 40.701 1.00 12.60 C ATOM 0 H VAL A 90 29.250 23.771 39.216 1.00 10.53 H new ATOM 0 HA VAL A 90 30.687 22.435 41.138 1.00 8.66 H new ATOM 0 HB VAL A 90 29.551 25.021 41.036 1.00 12.11 H new ATOM 0 HG11 VAL A 90 30.593 25.493 43.097 1.00 11.99 H new ATOM 0 HG12 VAL A 90 29.527 24.334 43.264 1.00 11.99 H new ATOM 0 HG13 VAL A 90 31.070 23.986 43.188 1.00 11.99 H new ATOM 0 HG21 VAL A 90 31.796 25.840 40.984 1.00 12.60 H new ATOM 0 HG22 VAL A 90 32.328 24.348 40.979 1.00 12.60 H new ATOM 0 HG23 VAL A 90 31.522 24.906 39.735 1.00 12.60 H new ATOM 1126 N HIS A 91 28.830 21.791 42.711 1.00 10.00 N ATOM 1127 CA HIS A 91 27.656 21.258 43.437 1.00 9.59 C ATOM 1128 C HIS A 91 26.736 22.453 43.823 1.00 13.09 C ATOM 1129 O HIS A 91 27.213 23.480 44.291 1.00 13.62 O ATOM 1130 CB HIS A 91 28.130 20.516 44.718 1.00 10.72 C ATOM 1131 CG HIS A 91 26.955 19.842 45.375 1.00 11.82 C ATOM 1132 ND1 HIS A 91 26.217 20.412 46.304 1.00 13.97 N ATOM 1133 CD2 HIS A 91 26.497 18.581 45.094 1.00 14.91 C ATOM 1134 CE1 HIS A 91 25.313 19.514 46.589 1.00 13.32 C ATOM 1135 NE2 HIS A 91 25.481 18.445 45.877 1.00 13.63 N ATOM 0 H HIS A 91 29.591 21.617 43.071 1.00 10.00 H new ATOM 0 HA HIS A 91 27.168 20.633 42.878 1.00 9.59 H new ATOM 0 HB2 HIS A 91 28.806 19.859 44.491 1.00 10.72 H new ATOM 0 HB3 HIS A 91 28.540 21.144 45.333 1.00 10.72 H new ATOM 0 HD2 HIS A 91 26.838 17.968 44.483 1.00 14.91 H new ATOM 0 HE1 HIS A 91 24.638 19.627 47.219 1.00 13.32 H new ATOM 0 HE2 HIS A 91 24.985 17.744 45.920 1.00 13.63 H new ATOM 1143 N PRO A 92 25.449 22.312 43.632 1.00 11.64 N ATOM 1144 CA PRO A 92 24.472 23.358 44.026 1.00 14.50 C ATOM 1145 C PRO A 92 24.591 23.895 45.475 1.00 13.10 C ATOM 1146 O PRO A 92 24.311 25.051 45.737 1.00 14.13 O ATOM 1147 CB PRO A 92 23.101 22.700 43.720 1.00 14.61 C ATOM 1148 CG PRO A 92 23.385 21.193 43.728 1.00 14.78 C ATOM 1149 CD PRO A 92 24.750 21.138 43.033 1.00 13.53 C ATOM 0 HA PRO A 92 24.628 24.178 43.531 1.00 14.50 H new ATOM 0 HB2 PRO A 92 22.439 22.938 44.388 1.00 14.61 H new ATOM 0 HB3 PRO A 92 22.755 22.989 42.861 1.00 14.61 H new ATOM 0 HG2 PRO A 92 23.418 20.832 44.628 1.00 14.78 H new ATOM 0 HG3 PRO A 92 22.709 20.691 43.246 1.00 14.78 H new ATOM 0 HD2 PRO A 92 25.216 20.307 43.213 1.00 13.53 H new ATOM 0 HD3 PRO A 92 24.670 21.215 42.069 1.00 13.53 H new ATOM 1157 N SER A 93 25.003 23.062 46.379 1.00 11.40 N ATOM 1158 CA SER A 93 25.140 23.492 47.790 1.00 11.90 C ATOM 1159 C SER A 93 26.592 23.712 48.216 1.00 10.40 C ATOM 1160 O SER A 93 26.865 23.644 49.389 1.00 11.67 O ATOM 1161 CB SER A 93 24.468 22.416 48.669 1.00 14.72 C ATOM 1162 OG SER A 93 23.215 22.107 48.032 1.00 19.76 O ATOM 0 H SER A 93 25.214 22.242 46.227 1.00 11.40 H new ATOM 0 HA SER A 93 24.709 24.354 47.897 1.00 11.90 H new ATOM 0 HB2 SER A 93 25.026 21.626 48.738 1.00 14.72 H new ATOM 0 HB3 SER A 93 24.327 22.743 49.571 1.00 14.72 H new ATOM 0 HG SER A 93 22.811 21.520 48.477 1.00 19.76 H new ATOM 1168 N TYR A 94 27.493 23.976 47.311 1.00 10.73 N ATOM 1169 CA TYR A 94 28.902 24.189 47.728 1.00 9.17 C ATOM 1170 C TYR A 94 28.979 25.507 48.567 1.00 13.48 C ATOM 1171 O TYR A 94 28.435 26.545 48.188 1.00 12.60 O ATOM 1172 CB TYR A 94 29.784 24.281 46.459 1.00 9.30 C ATOM 1173 CG TYR A 94 31.213 24.753 46.801 1.00 8.12 C ATOM 1174 CD1 TYR A 94 31.707 25.880 46.197 1.00 10.23 C ATOM 1175 CD2 TYR A 94 32.003 24.077 47.709 1.00 8.14 C ATOM 1176 CE1 TYR A 94 32.958 26.323 46.492 1.00 11.72 C ATOM 1177 CE2 TYR A 94 33.261 24.518 48.012 1.00 9.61 C ATOM 1178 CZ TYR A 94 33.745 25.644 47.404 1.00 12.15 C ATOM 1179 OH TYR A 94 35.021 26.078 47.681 1.00 15.49 O ATOM 0 H TYR A 94 27.343 24.041 46.467 1.00 10.73 H new ATOM 0 HA TYR A 94 29.222 23.454 48.275 1.00 9.17 H new ATOM 0 HB2 TYR A 94 29.823 23.414 46.026 1.00 9.30 H new ATOM 0 HB3 TYR A 94 29.381 24.896 45.826 1.00 9.30 H new ATOM 0 HD1 TYR A 94 31.184 26.343 45.583 1.00 10.23 H new ATOM 0 HD2 TYR A 94 31.675 23.310 48.121 1.00 8.14 H new ATOM 0 HE1 TYR A 94 33.287 27.088 46.078 1.00 11.72 H new ATOM 0 HE2 TYR A 94 33.784 24.056 48.627 1.00 9.61 H new ATOM 0 HH TYR A 94 35.343 26.455 47.003 1.00 15.49 H new ATOM 1189 N ASN A 95 29.662 25.396 49.687 1.00 13.19 N ATOM 1190 CA ASN A 95 29.863 26.523 50.630 1.00 12.27 C ATOM 1191 C ASN A 95 31.351 26.779 50.635 1.00 11.97 C ATOM 1192 O ASN A 95 32.067 26.009 51.244 1.00 10.61 O ATOM 1193 CB ASN A 95 29.416 26.122 52.027 1.00 14.17 C ATOM 1194 CG ASN A 95 29.514 27.347 52.919 1.00 14.56 C ATOM 1195 OD1 ASN A 95 30.530 28.005 52.972 1.00 20.59 O ATOM 1196 ND2 ASN A 95 28.508 27.721 53.651 1.00 19.87 N ATOM 0 H ASN A 95 30.034 24.663 49.941 1.00 13.19 H new ATOM 0 HA ASN A 95 29.353 27.306 50.368 1.00 12.27 H new ATOM 0 HB2 ASN A 95 28.506 25.787 52.009 1.00 14.17 H new ATOM 0 HB3 ASN A 95 29.975 25.407 52.370 1.00 14.17 H new ATOM 0 HD21 ASN A 95 28.576 28.416 54.153 1.00 19.87 H new ATOM 0 HD22 ASN A 95 27.774 27.273 53.634 1.00 19.87 H new ATOM 1203 N SER A 96 31.830 27.819 50.011 1.00 13.09 N ATOM 1204 CA SER A 96 33.289 28.056 50.002 1.00 16.70 C ATOM 1205 C SER A 96 33.851 28.430 51.353 1.00 18.73 C ATOM 1206 O SER A 96 35.052 28.392 51.535 1.00 23.60 O ATOM 1207 CB SER A 96 33.615 29.150 48.988 1.00 18.39 C ATOM 1208 OG SER A 96 32.990 30.324 49.468 1.00 19.16 O ATOM 0 H SER A 96 31.359 28.401 49.589 1.00 13.09 H new ATOM 0 HA SER A 96 33.708 27.217 49.755 1.00 16.70 H new ATOM 0 HB2 SER A 96 34.574 29.275 48.908 1.00 18.39 H new ATOM 0 HB3 SER A 96 33.285 28.916 48.106 1.00 18.39 H new ATOM 0 HG SER A 96 33.143 30.959 48.940 1.00 19.16 H new ATOM 1214 N ASN A 97 33.006 28.764 52.265 1.00 16.79 N ATOM 1215 CA ASN A 97 33.533 29.140 53.595 1.00 21.23 C ATOM 1216 C ASN A 97 33.795 27.908 54.415 1.00 20.10 C ATOM 1217 O ASN A 97 34.813 27.902 55.077 1.00 22.08 O ATOM 1218 CB ASN A 97 32.544 30.000 54.402 1.00 22.78 C ATOM 1219 CG ASN A 97 32.482 31.435 53.888 1.00 26.15 C ATOM 1220 OD1 ASN A 97 31.421 32.025 53.852 1.00 32.12 O ATOM 1221 ND2 ASN A 97 33.547 32.059 53.492 1.00 26.48 N ATOM 0 H ASN A 97 32.151 28.790 52.174 1.00 16.79 H new ATOM 0 HA ASN A 97 34.343 29.646 53.427 1.00 21.23 H new ATOM 0 HB2 ASN A 97 31.660 29.603 54.357 1.00 22.78 H new ATOM 0 HB3 ASN A 97 32.807 30.003 55.336 1.00 22.78 H new ATOM 0 HD21 ASN A 97 33.491 32.871 53.213 1.00 26.48 H new ATOM 0 HD22 ASN A 97 34.309 31.661 53.508 1.00 26.48 H new ATOM 1228 N THR A 98 32.918 26.934 54.364 1.00 17.37 N ATOM 1229 CA THR A 98 33.115 25.683 55.170 1.00 16.16 C ATOM 1230 C THR A 98 33.673 24.492 54.381 1.00 16.74 C ATOM 1231 O THR A 98 34.115 23.514 54.961 1.00 19.17 O ATOM 1232 CB THR A 98 31.786 25.279 55.755 1.00 12.51 C ATOM 1233 OG1 THR A 98 30.966 25.135 54.599 1.00 17.15 O ATOM 1234 CG2 THR A 98 31.142 26.425 56.552 1.00 13.62 C ATOM 0 H THR A 98 32.203 26.948 53.886 1.00 17.37 H new ATOM 0 HA THR A 98 33.777 25.898 55.846 1.00 16.16 H new ATOM 0 HB THR A 98 31.882 24.505 56.332 1.00 12.51 H new ATOM 0 HG1 THR A 98 30.192 24.906 54.831 1.00 17.15 H new ATOM 0 HG21 THR A 98 30.291 26.130 56.913 1.00 13.62 H new ATOM 0 HG22 THR A 98 31.729 26.683 57.280 1.00 13.62 H new ATOM 0 HG23 THR A 98 30.999 27.186 55.967 1.00 13.62 H new ATOM 1242 N LEU A 99 33.606 24.642 53.089 1.00 14.42 N ATOM 1243 CA LEU A 99 34.059 23.653 52.058 1.00 16.45 C ATOM 1244 C LEU A 99 33.151 22.424 52.110 1.00 17.08 C ATOM 1245 O LEU A 99 33.532 21.319 51.737 1.00 11.56 O ATOM 1246 CB LEU A 99 35.504 23.148 52.254 1.00 15.92 C ATOM 1247 CG LEU A 99 36.569 24.230 51.972 1.00 17.61 C ATOM 1248 CD1 LEU A 99 37.881 23.511 51.636 1.00 22.39 C ATOM 1249 CD2 LEU A 99 36.227 25.120 50.797 1.00 22.02 C ATOM 0 H LEU A 99 33.281 25.355 52.735 1.00 14.42 H new ATOM 0 HA LEU A 99 34.019 24.123 51.211 1.00 16.45 H new ATOM 0 HB2 LEU A 99 35.608 22.829 53.164 1.00 15.92 H new ATOM 0 HB3 LEU A 99 35.658 22.390 51.668 1.00 15.92 H new ATOM 0 HG LEU A 99 36.627 24.793 52.760 1.00 17.61 H new ATOM 0 HD11 LEU A 99 38.572 24.167 51.453 1.00 22.39 H new ATOM 0 HD12 LEU A 99 38.150 22.960 52.387 1.00 22.39 H new ATOM 0 HD13 LEU A 99 37.752 22.951 50.854 1.00 22.39 H new ATOM 0 HD21 LEU A 99 36.931 25.776 50.672 1.00 22.02 H new ATOM 0 HD22 LEU A 99 36.142 24.580 49.996 1.00 22.02 H new ATOM 0 HD23 LEU A 99 35.388 25.576 50.969 1.00 22.02 H new ATOM 1261 N ASN A 100 31.952 22.679 52.574 1.00 13.62 N ATOM 1262 CA ASN A 100 30.936 21.589 52.668 1.00 10.88 C ATOM 1263 C ASN A 100 30.441 21.461 51.202 1.00 12.45 C ATOM 1264 O ASN A 100 30.225 22.453 50.517 1.00 10.09 O ATOM 1265 CB ASN A 100 29.775 22.012 53.629 1.00 12.88 C ATOM 1266 CG ASN A 100 28.794 20.862 53.864 1.00 13.56 C ATOM 1267 OD1 ASN A 100 29.099 19.672 53.832 1.00 14.25 O ATOM 1268 ND2 ASN A 100 27.570 21.182 54.118 1.00 14.97 N ATOM 0 H ASN A 100 31.684 23.451 52.841 1.00 13.62 H new ATOM 0 HA ASN A 100 31.281 20.756 53.025 1.00 10.88 H new ATOM 0 HB2 ASN A 100 30.145 22.301 54.478 1.00 12.88 H new ATOM 0 HB3 ASN A 100 29.302 22.770 53.252 1.00 12.88 H new ATOM 0 HD21 ASN A 100 26.986 20.567 54.261 1.00 14.97 H new ATOM 0 HD22 ASN A 100 27.339 22.010 54.144 1.00 14.97 H new ATOM 1275 N ASN A 101 30.304 20.230 50.780 1.00 11.92 N ATOM 1276 CA ASN A 101 29.853 19.849 49.399 1.00 9.20 C ATOM 1277 C ASN A 101 30.874 20.353 48.387 1.00 9.07 C ATOM 1278 O ASN A 101 30.590 20.990 47.390 1.00 11.33 O ATOM 1279 CB ASN A 101 28.484 20.458 49.054 1.00 10.95 C ATOM 1280 CG ASN A 101 27.454 19.978 50.062 1.00 9.50 C ATOM 1281 OD1 ASN A 101 27.080 18.829 50.202 1.00 8.45 O ATOM 1282 ND2 ASN A 101 26.933 20.863 50.835 1.00 11.79 N ATOM 0 H ASN A 101 30.468 19.550 51.280 1.00 11.92 H new ATOM 0 HA ASN A 101 29.774 18.883 49.369 1.00 9.20 H new ATOM 0 HB2 ASN A 101 28.537 21.426 49.066 1.00 10.95 H new ATOM 0 HB3 ASN A 101 28.220 20.199 48.157 1.00 10.95 H new ATOM 0 HD21 ASN A 101 26.346 20.631 51.420 1.00 11.79 H new ATOM 0 HD22 ASN A 101 27.171 21.687 50.767 1.00 11.79 H new ATOM 1289 N ASP A 102 32.095 20.015 48.664 1.00 8.09 N ATOM 1290 CA ASP A 102 33.252 20.417 47.796 1.00 9.24 C ATOM 1291 C ASP A 102 33.502 19.387 46.700 1.00 7.77 C ATOM 1292 O ASP A 102 34.442 18.606 46.786 1.00 6.50 O ATOM 1293 CB ASP A 102 34.546 20.585 48.694 1.00 8.33 C ATOM 1294 CG ASP A 102 35.786 21.139 47.966 1.00 10.29 C ATOM 1295 OD1 ASP A 102 35.614 21.720 46.905 1.00 8.28 O ATOM 1296 OD2 ASP A 102 36.859 20.952 48.516 1.00 10.74 O ATOM 0 H ASP A 102 32.316 19.547 49.351 1.00 8.09 H new ATOM 0 HA ASP A 102 33.040 21.261 47.367 1.00 9.24 H new ATOM 0 HB2 ASP A 102 34.334 21.175 49.434 1.00 8.33 H new ATOM 0 HB3 ASP A 102 34.772 19.722 49.075 1.00 8.33 H new ATOM 1301 N ILE A 103 32.635 19.416 45.718 1.00 7.28 N ATOM 1302 CA ILE A 103 32.734 18.500 44.568 1.00 9.22 C ATOM 1303 C ILE A 103 32.241 19.295 43.330 1.00 7.01 C ATOM 1304 O ILE A 103 31.386 20.160 43.441 1.00 8.09 O ATOM 1305 CB ILE A 103 31.884 17.228 44.853 1.00 8.56 C ATOM 1306 CG1 ILE A 103 32.018 16.269 43.590 1.00 9.42 C ATOM 1307 CG2 ILE A 103 30.403 17.558 45.166 1.00 9.46 C ATOM 1308 CD1 ILE A 103 31.395 14.877 43.861 1.00 14.70 C ATOM 0 H ILE A 103 31.969 19.959 45.683 1.00 7.28 H new ATOM 0 HA ILE A 103 33.640 18.192 44.407 1.00 9.22 H new ATOM 0 HB ILE A 103 32.219 16.788 45.650 1.00 8.56 H new ATOM 0 HG12 ILE A 103 31.581 16.676 42.826 1.00 9.42 H new ATOM 0 HG13 ILE A 103 32.955 16.166 43.359 1.00 9.42 H new ATOM 0 HG21 ILE A 103 29.917 16.736 45.336 1.00 9.46 H new ATOM 0 HG22 ILE A 103 30.357 18.128 45.949 1.00 9.46 H new ATOM 0 HG23 ILE A 103 30.007 18.017 44.409 1.00 9.46 H new ATOM 0 HD11 ILE A 103 31.494 14.319 43.073 1.00 14.70 H new ATOM 0 HD12 ILE A 103 31.848 14.460 44.611 1.00 14.70 H new ATOM 0 HD13 ILE A 103 30.453 14.979 44.069 1.00 14.70 H new ATOM 1320 N MET A 104 32.826 18.976 42.219 1.00 8.86 N ATOM 1321 CA MET A 104 32.523 19.599 40.909 1.00 12.98 C ATOM 1322 C MET A 104 32.755 18.546 39.813 1.00 9.86 C ATOM 1323 O MET A 104 33.589 17.670 39.971 1.00 7.99 O ATOM 1324 CB MET A 104 33.478 20.829 40.751 1.00 11.88 C ATOM 1325 CG MET A 104 33.596 21.369 39.353 1.00 15.73 C ATOM 1326 SD MET A 104 34.745 22.766 39.262 1.00 17.62 S ATOM 1327 CE MET A 104 36.333 21.956 39.472 1.00 16.65 C ATOM 0 H MET A 104 33.437 18.372 42.174 1.00 8.86 H new ATOM 0 HA MET A 104 31.604 19.903 40.842 1.00 12.98 H new ATOM 0 HB2 MET A 104 33.166 21.540 41.332 1.00 11.88 H new ATOM 0 HB3 MET A 104 34.362 20.577 41.061 1.00 11.88 H new ATOM 0 HG2 MET A 104 33.897 20.664 38.759 1.00 15.73 H new ATOM 0 HG3 MET A 104 32.722 21.649 39.040 1.00 15.73 H new ATOM 0 HE1 MET A 104 36.836 22.405 40.170 1.00 16.65 H new ATOM 0 HE2 MET A 104 36.193 21.029 39.720 1.00 16.65 H new ATOM 0 HE3 MET A 104 36.830 21.996 38.640 1.00 16.65 H new ATOM 1337 N LEU A 105 32.023 18.713 38.749 1.00 8.91 N ATOM 1338 CA LEU A 105 32.094 17.812 37.579 1.00 7.43 C ATOM 1339 C LEU A 105 32.603 18.661 36.413 1.00 9.64 C ATOM 1340 O LEU A 105 32.167 19.795 36.289 1.00 11.08 O ATOM 1341 CB LEU A 105 30.670 17.267 37.218 1.00 11.03 C ATOM 1342 CG LEU A 105 30.168 16.209 38.228 1.00 11.43 C ATOM 1343 CD1 LEU A 105 28.664 16.001 38.037 1.00 12.84 C ATOM 1344 CD2 LEU A 105 30.910 14.878 37.900 1.00 16.28 C ATOM 0 H LEU A 105 31.456 19.354 38.661 1.00 8.91 H new ATOM 0 HA LEU A 105 32.672 17.056 37.765 1.00 7.43 H new ATOM 0 HB2 LEU A 105 30.042 18.006 37.189 1.00 11.03 H new ATOM 0 HB3 LEU A 105 30.691 16.878 36.330 1.00 11.03 H new ATOM 0 HG LEU A 105 30.336 16.491 39.141 1.00 11.43 H new ATOM 0 HD11 LEU A 105 28.346 15.338 38.669 1.00 12.84 H new ATOM 0 HD12 LEU A 105 28.200 16.839 38.187 1.00 12.84 H new ATOM 0 HD13 LEU A 105 28.492 15.694 37.133 1.00 12.84 H new ATOM 0 HD21 LEU A 105 30.621 14.186 38.515 1.00 16.28 H new ATOM 0 HD22 LEU A 105 30.705 14.608 36.991 1.00 16.28 H new ATOM 0 HD23 LEU A 105 31.867 15.010 37.989 1.00 16.28 H new ATOM 1356 N ILE A 106 33.471 18.087 35.632 1.00 7.88 N ATOM 1357 CA ILE A 106 34.063 18.764 34.458 1.00 11.83 C ATOM 1358 C ILE A 106 33.813 17.854 33.227 1.00 11.86 C ATOM 1359 O ILE A 106 34.159 16.677 33.241 1.00 10.98 O ATOM 1360 CB ILE A 106 35.558 18.928 34.690 1.00 12.89 C ATOM 1361 CG1 ILE A 106 35.784 19.770 35.924 1.00 13.45 C ATOM 1362 CG2 ILE A 106 36.183 19.598 33.450 1.00 14.08 C ATOM 1363 CD1 ILE A 106 37.249 19.637 36.359 1.00 11.67 C ATOM 0 H ILE A 106 33.753 17.283 35.749 1.00 7.88 H new ATOM 0 HA ILE A 106 33.670 19.639 34.315 1.00 11.83 H new ATOM 0 HB ILE A 106 35.976 18.063 34.827 1.00 12.89 H new ATOM 0 HG12 ILE A 106 35.572 20.698 35.739 1.00 13.45 H new ATOM 0 HG13 ILE A 106 35.195 19.482 36.639 1.00 13.45 H new ATOM 0 HG21 ILE A 106 37.137 19.707 33.587 1.00 14.08 H new ATOM 0 HG22 ILE A 106 36.031 19.042 32.670 1.00 14.08 H new ATOM 0 HG23 ILE A 106 35.775 20.467 33.311 1.00 14.08 H new ATOM 0 HD11 ILE A 106 37.402 20.175 37.151 1.00 11.67 H new ATOM 0 HD12 ILE A 106 37.445 18.708 36.557 1.00 11.67 H new ATOM 0 HD13 ILE A 106 37.828 19.944 35.644 1.00 11.67 H new ATOM 1375 N LYS A 107 33.245 18.423 32.204 1.00 11.73 N ATOM 1376 CA LYS A 107 32.966 17.617 30.983 1.00 13.43 C ATOM 1377 C LYS A 107 34.085 17.965 30.016 1.00 11.75 C ATOM 1378 O LYS A 107 34.498 19.113 29.916 1.00 10.98 O ATOM 1379 CB LYS A 107 31.576 18.004 30.353 1.00 11.55 C ATOM 1380 CG LYS A 107 31.179 16.940 29.318 1.00 11.19 C ATOM 1381 CD LYS A 107 29.884 17.327 28.618 1.00 15.34 C ATOM 1382 CE LYS A 107 29.407 16.158 27.725 1.00 18.43 C ATOM 1383 NZ LYS A 107 28.188 16.608 26.996 1.00 20.20 N ATOM 0 H LYS A 107 33.008 19.249 32.165 1.00 11.73 H new ATOM 0 HA LYS A 107 32.928 16.669 31.185 1.00 13.43 H new ATOM 0 HB2 LYS A 107 30.900 18.065 31.046 1.00 11.55 H new ATOM 0 HB3 LYS A 107 31.631 18.876 29.932 1.00 11.55 H new ATOM 0 HG2 LYS A 107 31.888 16.838 28.664 1.00 11.19 H new ATOM 0 HG3 LYS A 107 31.071 16.081 29.755 1.00 11.19 H new ATOM 0 HD2 LYS A 107 29.203 17.543 29.274 1.00 15.34 H new ATOM 0 HD3 LYS A 107 30.022 18.122 28.080 1.00 15.34 H new ATOM 0 HE2 LYS A 107 30.103 15.903 27.099 1.00 18.43 H new ATOM 0 HE3 LYS A 107 29.211 15.376 28.265 1.00 18.43 H new ATOM 0 HZ1 LYS A 107 27.836 15.921 26.553 1.00 20.20 H new ATOM 0 HZ2 LYS A 107 27.592 16.922 27.578 1.00 20.20 H new ATOM 0 HZ3 LYS A 107 28.406 17.251 26.420 1.00 20.20 H new ATOM 1397 N LEU A 108 34.519 16.960 29.317 1.00 12.28 N ATOM 1398 CA LEU A 108 35.620 17.137 28.324 1.00 14.15 C ATOM 1399 C LEU A 108 34.989 17.495 26.967 1.00 15.54 C ATOM 1400 O LEU A 108 33.934 17.008 26.620 1.00 15.68 O ATOM 1401 CB LEU A 108 36.411 15.821 28.165 1.00 14.49 C ATOM 1402 CG LEU A 108 36.958 15.283 29.512 1.00 15.92 C ATOM 1403 CD1 LEU A 108 37.730 14.016 29.209 1.00 16.40 C ATOM 1404 CD2 LEU A 108 37.929 16.257 30.244 1.00 18.55 C ATOM 0 H LEU A 108 34.213 16.158 29.377 1.00 12.28 H new ATOM 0 HA LEU A 108 36.221 17.836 28.627 1.00 14.15 H new ATOM 0 HB2 LEU A 108 35.837 15.150 27.763 1.00 14.49 H new ATOM 0 HB3 LEU A 108 37.151 15.965 27.554 1.00 14.49 H new ATOM 0 HG LEU A 108 36.196 15.151 30.097 1.00 15.92 H new ATOM 0 HD11 LEU A 108 38.088 13.650 30.033 1.00 16.40 H new ATOM 0 HD12 LEU A 108 37.138 13.367 28.798 1.00 16.40 H new ATOM 0 HD13 LEU A 108 38.459 14.218 28.602 1.00 16.40 H new ATOM 0 HD21 LEU A 108 38.228 15.853 31.074 1.00 18.55 H new ATOM 0 HD22 LEU A 108 38.696 16.436 29.678 1.00 18.55 H new ATOM 0 HD23 LEU A 108 37.469 17.089 30.437 1.00 18.55 H new ATOM 1416 N LYS A 109 35.652 18.336 26.234 1.00 17.35 N ATOM 1417 CA LYS A 109 35.142 18.748 24.902 1.00 17.26 C ATOM 1418 C LYS A 109 35.207 17.553 23.959 1.00 16.54 C ATOM 1419 O LYS A 109 34.417 17.463 23.045 1.00 18.43 O ATOM 1420 CB LYS A 109 35.992 19.905 24.312 1.00 17.67 C ATOM 1421 CG LYS A 109 35.576 21.287 24.879 0.17 18.17 C ATOM 1422 CD LYS A 109 36.290 22.439 24.117 0.17 19.84 C ATOM 1423 CE LYS A 109 35.982 22.371 22.593 0.17 22.00 C ATOM 1424 NZ LYS A 109 36.527 23.571 21.895 0.17 22.72 N ATOM 0 H LYS A 109 36.399 18.695 26.462 1.00 17.35 H new ATOM 0 HA LYS A 109 34.228 19.058 25.002 1.00 17.26 H new ATOM 0 HB2 LYS A 109 36.929 19.747 24.506 1.00 17.67 H new ATOM 0 HB3 LYS A 109 35.899 19.912 23.346 1.00 17.67 H new ATOM 0 HG2 LYS A 109 34.615 21.394 24.807 0.17 18.17 H new ATOM 0 HG3 LYS A 109 35.797 21.333 25.822 0.17 18.17 H new ATOM 0 HD2 LYS A 109 36.001 23.294 24.471 0.17 19.84 H new ATOM 0 HD3 LYS A 109 37.248 22.382 24.260 0.17 19.84 H new ATOM 0 HE2 LYS A 109 36.370 21.566 22.215 0.17 22.00 H new ATOM 0 HE3 LYS A 109 35.024 22.317 22.453 0.17 22.00 H new ATOM 0 HZ1 LYS A 109 36.343 23.518 21.026 0.17 22.72 H new ATOM 0 HZ2 LYS A 109 36.154 24.306 22.232 0.17 22.72 H new ATOM 0 HZ3 LYS A 109 37.409 23.607 22.010 0.17 22.72 H new ATOM 1438 N SER A 110 36.137 16.664 24.141 1.00 16.46 N ATOM 1439 CA SER A 110 36.251 15.460 23.259 1.00 17.73 C ATOM 1440 C SER A 110 36.439 14.331 24.234 1.00 20.13 C ATOM 1441 O SER A 110 36.895 14.576 25.338 1.00 18.10 O ATOM 1442 CB ASER A 110 37.458 15.599 22.345 0.55 17.85 C ATOM 1443 CB BSER A 110 37.487 15.532 22.388 0.43 18.89 C ATOM 1444 OG ASER A 110 37.093 16.708 21.512 0.55 21.10 O ATOM 1445 OG BSER A 110 37.267 14.527 21.405 0.43 24.21 O ATOM 0 H SER A 110 36.730 16.708 24.762 1.00 16.46 H new ATOM 0 HA SER A 110 35.484 15.328 22.680 1.00 17.73 H new ATOM 0 HB2ASER A 110 38.271 15.775 22.845 0.55 18.89 H new ATOM 0 HB2BSER A 110 37.588 16.408 21.985 0.43 18.89 H new ATOM 0 HB3ASER A 110 37.613 14.794 21.827 0.55 18.89 H new ATOM 0 HB3BSER A 110 38.293 15.360 22.899 0.43 18.89 H new ATOM 0 HG ASER A 110 37.711 16.863 20.965 0.55 24.21 H new ATOM 0 HG BSER A 110 37.919 14.506 20.875 0.43 24.21 H new ATOM 1454 N ALA A 111 36.100 13.158 23.782 1.00 18.95 N ATOM 1455 CA ALA A 111 36.229 11.960 24.660 1.00 17.95 C ATOM 1456 C ALA A 111 37.675 11.476 24.766 1.00 18.03 C ATOM 1457 O ALA A 111 38.421 11.481 23.810 1.00 19.02 O ATOM 1458 CB ALA A 111 35.346 10.830 24.085 1.00 18.81 C ATOM 0 H ALA A 111 35.796 13.004 22.992 1.00 18.95 H new ATOM 0 HA ALA A 111 35.941 12.205 25.553 1.00 17.95 H new ATOM 0 HB1 ALA A 111 35.420 10.043 24.647 1.00 18.81 H new ATOM 0 HB2 ALA A 111 34.422 11.123 24.060 1.00 18.81 H new ATOM 0 HB3 ALA A 111 35.641 10.614 23.187 1.00 18.81 H new ATOM 1464 N ALA A 112 38.031 11.056 25.938 1.00 18.80 N ATOM 1465 CA ALA A 112 39.413 10.561 26.138 1.00 19.74 C ATOM 1466 C ALA A 112 39.459 9.147 25.562 1.00 19.96 C ATOM 1467 O ALA A 112 38.460 8.458 25.610 1.00 22.54 O ATOM 1468 CB ALA A 112 39.738 10.466 27.611 1.00 17.86 C ATOM 0 H ALA A 112 37.525 11.037 26.633 1.00 18.80 H new ATOM 0 HA ALA A 112 40.045 11.162 25.713 1.00 19.74 H new ATOM 0 HB1 ALA A 112 40.645 10.141 27.722 1.00 17.86 H new ATOM 0 HB2 ALA A 112 39.657 11.343 28.018 1.00 17.86 H new ATOM 0 HB3 ALA A 112 39.120 9.853 28.040 1.00 17.86 H new ATOM 1474 N SER A 113 40.596 8.754 25.060 1.00 18.72 N ATOM 1475 CA SER A 113 40.751 7.398 24.483 1.00 19.70 C ATOM 1476 C SER A 113 41.266 6.608 25.676 1.00 19.21 C ATOM 1477 O SER A 113 42.382 6.836 26.109 1.00 20.88 O ATOM 1478 CB SER A 113 41.759 7.498 23.360 1.00 19.23 C ATOM 1479 OG SER A 113 41.202 8.539 22.548 1.00 27.62 O ATOM 0 H SER A 113 41.306 9.239 25.032 1.00 18.72 H new ATOM 0 HA SER A 113 39.957 6.991 24.103 1.00 19.70 H new ATOM 0 HB2 SER A 113 42.644 7.726 23.686 1.00 19.23 H new ATOM 0 HB3 SER A 113 41.843 6.664 22.873 1.00 19.23 H new ATOM 0 HG SER A 113 41.700 8.674 21.885 1.00 27.62 H new ATOM 1485 N LEU A 114 40.459 5.708 26.181 1.00 21.53 N ATOM 1486 CA LEU A 114 40.882 4.907 27.370 1.00 21.75 C ATOM 1487 C LEU A 114 41.793 3.780 26.989 1.00 23.35 C ATOM 1488 O LEU A 114 41.512 3.024 26.090 1.00 26.73 O ATOM 1489 CB LEU A 114 39.668 4.311 28.089 1.00 20.25 C ATOM 1490 CG LEU A 114 38.625 5.401 28.454 1.00 21.58 C ATOM 1491 CD1 LEU A 114 37.526 4.762 29.300 1.00 23.43 C ATOM 1492 CD2 LEU A 114 39.194 6.580 29.257 1.00 21.79 C ATOM 0 H LEU A 114 39.674 5.528 25.879 1.00 21.53 H new ATOM 0 HA LEU A 114 41.354 5.519 27.956 1.00 21.75 H new ATOM 0 HB2 LEU A 114 39.253 3.642 27.523 1.00 20.25 H new ATOM 0 HB3 LEU A 114 39.959 3.858 28.896 1.00 20.25 H new ATOM 0 HG LEU A 114 38.302 5.755 27.611 1.00 21.58 H new ATOM 0 HD11 LEU A 114 36.867 5.434 29.535 1.00 23.43 H new ATOM 0 HD12 LEU A 114 37.099 4.053 28.794 1.00 23.43 H new ATOM 0 HD13 LEU A 114 37.914 4.393 30.109 1.00 23.43 H new ATOM 0 HD21 LEU A 114 38.486 7.215 29.446 1.00 21.79 H new ATOM 0 HD22 LEU A 114 39.566 6.254 30.091 1.00 21.79 H new ATOM 0 HD23 LEU A 114 39.890 7.017 28.742 1.00 21.79 H new ATOM 1504 N ASN A 115 42.882 3.693 27.677 1.00 26.17 N ATOM 1505 CA ASN A 115 43.883 2.633 27.428 1.00 27.08 C ATOM 1506 C ASN A 115 44.474 2.240 28.807 1.00 28.16 C ATOM 1507 O ASN A 115 43.960 2.608 29.854 1.00 27.58 O ATOM 1508 CB ASN A 115 44.952 3.181 26.437 1.00 26.86 C ATOM 1509 CG ASN A 115 45.656 4.398 26.979 1.00 24.62 C ATOM 1510 OD1 ASN A 115 46.210 4.389 28.060 1.00 23.02 O ATOM 1511 ND2 ASN A 115 45.658 5.469 26.257 1.00 26.52 N ATOM 0 H ASN A 115 43.091 4.235 28.311 1.00 26.17 H new ATOM 0 HA ASN A 115 43.503 1.840 27.018 1.00 27.08 H new ATOM 0 HB2 ASN A 115 45.604 2.488 26.251 1.00 26.86 H new ATOM 0 HB3 ASN A 115 44.526 3.404 25.594 1.00 26.86 H new ATOM 0 HD21 ASN A 115 46.052 6.178 26.541 1.00 26.52 H new ATOM 0 HD22 ASN A 115 45.265 5.473 25.492 1.00 26.52 H new ATOM 1518 N SER A 116 45.533 1.499 28.789 1.00 32.44 N ATOM 1519 CA SER A 116 46.204 1.039 30.041 1.00 32.93 C ATOM 1520 C SER A 116 46.659 2.190 30.957 1.00 32.47 C ATOM 1521 O SER A 116 46.685 2.019 32.161 1.00 32.72 O ATOM 1522 CB SER A 116 47.434 0.165 29.622 1.00 36.56 C ATOM 1523 OG SER A 116 46.991 -0.549 28.453 1.00 38.99 O ATOM 0 H SER A 116 45.913 1.228 28.067 1.00 32.44 H new ATOM 0 HA SER A 116 45.561 0.532 30.561 1.00 32.93 H new ATOM 0 HB2 SER A 116 48.208 0.716 29.427 1.00 36.56 H new ATOM 0 HB3 SER A 116 47.692 -0.445 30.331 1.00 36.56 H new ATOM 0 HG SER A 116 47.611 -1.041 28.173 1.00 38.99 H new ATOM 1529 N ARG A 117 46.989 3.308 30.347 1.00 31.30 N ATOM 1530 CA ARG A 117 47.476 4.543 31.067 1.00 28.52 C ATOM 1531 C ARG A 117 46.389 5.577 31.359 1.00 26.26 C ATOM 1532 O ARG A 117 46.638 6.491 32.132 1.00 21.63 O ATOM 1533 CB ARG A 117 48.582 5.204 30.203 1.00 29.14 C ATOM 1534 CG ARG A 117 49.666 4.106 29.951 1.00 29.97 C ATOM 1535 CD ARG A 117 50.809 4.575 29.037 0.01 29.22 C ATOM 1536 NE ARG A 117 51.749 3.416 28.958 0.01 29.65 N ATOM 1537 CZ ARG A 117 52.966 3.441 29.441 0.01 30.82 C ATOM 1538 NH1 ARG A 117 53.457 4.514 30.000 0.01 29.38 N ATOM 1539 NH2 ARG A 117 53.667 2.346 29.345 0.01 30.31 N ATOM 0 H ARG A 117 46.947 3.404 29.493 1.00 31.30 H new ATOM 0 HA ARG A 117 47.805 4.251 31.931 1.00 28.52 H new ATOM 0 HB2 ARG A 117 48.217 5.528 29.364 1.00 29.14 H new ATOM 0 HB3 ARG A 117 48.965 5.969 30.660 1.00 29.14 H new ATOM 0 HG2 ARG A 117 50.036 3.825 30.802 1.00 29.97 H new ATOM 0 HG3 ARG A 117 49.243 3.328 29.555 1.00 29.97 H new ATOM 0 HD2 ARG A 117 50.478 4.818 28.158 0.01 29.22 H new ATOM 0 HD3 ARG A 117 51.249 5.359 29.401 0.01 29.22 H new ATOM 0 HE ARG A 117 51.477 2.695 28.576 0.01 29.65 H new ATOM 0 HH11 ARG A 117 52.978 5.226 30.057 0.01 29.38 H new ATOM 0 HH12 ARG A 117 54.259 4.508 30.311 0.01 29.38 H new ATOM 0 HH21 ARG A 117 53.326 1.648 28.976 0.01 30.31 H new ATOM 0 HH22 ARG A 117 54.471 2.322 29.650 0.01 30.31 H new ATOM 1553 N VAL A 118 45.257 5.410 30.722 1.00 23.65 N ATOM 1554 CA VAL A 118 44.115 6.347 30.930 1.00 19.76 C ATOM 1555 C VAL A 118 42.927 5.415 31.129 1.00 18.00 C ATOM 1556 O VAL A 118 42.455 4.769 30.207 1.00 15.86 O ATOM 1557 CB VAL A 118 43.916 7.265 29.686 1.00 19.60 C ATOM 1558 CG1 VAL A 118 42.782 8.306 29.976 1.00 19.00 C ATOM 1559 CG2 VAL A 118 45.212 8.017 29.365 1.00 18.28 C ATOM 0 H VAL A 118 45.104 4.774 30.164 1.00 23.65 H new ATOM 0 HA VAL A 118 44.247 6.951 31.678 1.00 19.76 H new ATOM 0 HB VAL A 118 43.672 6.710 28.929 1.00 19.60 H new ATOM 0 HG11 VAL A 118 42.660 8.876 29.201 1.00 19.00 H new ATOM 0 HG12 VAL A 118 41.954 7.838 30.166 1.00 19.00 H new ATOM 0 HG13 VAL A 118 43.029 8.849 30.741 1.00 19.00 H new ATOM 0 HG21 VAL A 118 45.074 8.584 28.590 1.00 18.28 H new ATOM 0 HG22 VAL A 118 45.465 8.565 30.124 1.00 18.28 H new ATOM 0 HG23 VAL A 118 45.918 7.379 29.177 1.00 18.28 H new ATOM 1569 N ALA A 119 42.472 5.359 32.337 1.00 15.44 N ATOM 1570 CA ALA A 119 41.327 4.485 32.637 1.00 14.73 C ATOM 1571 C ALA A 119 40.377 5.255 33.537 1.00 18.27 C ATOM 1572 O ALA A 119 40.806 6.248 34.099 1.00 18.37 O ATOM 1573 CB ALA A 119 41.873 3.239 33.332 1.00 16.52 C ATOM 0 H ALA A 119 42.786 5.800 33.005 1.00 15.44 H new ATOM 0 HA ALA A 119 40.845 4.215 31.840 1.00 14.73 H new ATOM 0 HB1 ALA A 119 41.141 2.640 33.544 1.00 16.52 H new ATOM 0 HB2 ALA A 119 42.499 2.788 32.744 1.00 16.52 H new ATOM 0 HB3 ALA A 119 42.327 3.497 34.150 1.00 16.52 H new ATOM 1579 N SER A 120 39.146 4.821 33.674 1.00 16.68 N ATOM 1580 CA SER A 120 38.225 5.569 34.566 1.00 17.71 C ATOM 1581 C SER A 120 38.191 4.767 35.882 1.00 18.29 C ATOM 1582 O SER A 120 38.636 3.625 35.905 1.00 17.53 O ATOM 1583 CB SER A 120 36.833 5.657 33.901 1.00 19.67 C ATOM 1584 OG SER A 120 36.478 4.338 33.511 1.00 21.92 O ATOM 0 H SER A 120 38.814 4.128 33.287 1.00 16.68 H new ATOM 0 HA SER A 120 38.510 6.481 34.733 1.00 17.71 H new ATOM 0 HB2 SER A 120 36.179 6.020 34.519 1.00 19.67 H new ATOM 0 HB3 SER A 120 36.856 6.248 33.132 1.00 19.67 H new ATOM 0 HG SER A 120 35.722 4.348 33.145 1.00 21.92 H new ATOM 1590 N ILE A 121 37.674 5.379 36.921 1.00 17.88 N ATOM 1591 CA ILE A 121 37.595 4.716 38.233 1.00 13.81 C ATOM 1592 C ILE A 121 36.118 4.606 38.498 1.00 13.13 C ATOM 1593 O ILE A 121 35.375 5.466 38.057 1.00 13.20 O ATOM 1594 CB ILE A 121 38.356 5.622 39.309 1.00 12.13 C ATOM 1595 CG1 ILE A 121 38.341 4.995 40.731 1.00 13.91 C ATOM 1596 CG2 ILE A 121 37.784 7.065 39.375 1.00 13.66 C ATOM 1597 CD1 ILE A 121 39.102 3.640 40.715 1.00 15.64 C ATOM 0 H ILE A 121 37.359 6.179 36.904 1.00 17.88 H new ATOM 0 HA ILE A 121 38.014 3.842 38.272 1.00 13.81 H new ATOM 0 HB ILE A 121 39.275 5.666 39.002 1.00 12.13 H new ATOM 0 HG12 ILE A 121 38.755 5.601 41.365 1.00 13.91 H new ATOM 0 HG13 ILE A 121 37.426 4.859 41.024 1.00 13.91 H new ATOM 0 HG21 ILE A 121 38.273 7.577 40.038 1.00 13.66 H new ATOM 0 HG22 ILE A 121 37.875 7.489 38.507 1.00 13.66 H new ATOM 0 HG23 ILE A 121 36.846 7.031 39.621 1.00 13.66 H new ATOM 0 HD11 ILE A 121 39.091 3.252 41.604 1.00 15.64 H new ATOM 0 HD12 ILE A 121 38.671 3.034 40.092 1.00 15.64 H new ATOM 0 HD13 ILE A 121 40.020 3.788 40.439 1.00 15.64 H new ATOM 1609 N SER A 122 35.749 3.587 39.226 1.00 14.58 N ATOM 1610 CA SER A 122 34.318 3.329 39.564 1.00 14.72 C ATOM 1611 C SER A 122 33.797 4.135 40.760 1.00 13.66 C ATOM 1612 O SER A 122 34.524 4.427 41.694 1.00 12.81 O ATOM 1613 CB SER A 122 34.113 1.837 39.914 1.00 15.90 C ATOM 1614 OG SER A 122 34.814 1.055 38.951 0.45 14.28 O ATOM 0 H SER A 122 36.297 3.010 39.551 1.00 14.58 H new ATOM 0 HA SER A 122 33.825 3.599 38.773 1.00 14.72 H new ATOM 0 HB2 SER A 122 34.443 1.650 40.807 1.00 15.90 H new ATOM 0 HB3 SER A 122 33.169 1.615 39.908 1.00 15.90 H new ATOM 0 HG SER A 122 34.715 0.239 39.126 0.45 14.28 H new ATOM 1620 N LEU A 123 32.540 4.426 40.679 1.00 12.74 N ATOM 1621 CA LEU A 123 31.883 5.195 41.762 1.00 14.82 C ATOM 1622 C LEU A 123 31.410 4.115 42.750 1.00 14.51 C ATOM 1623 O LEU A 123 31.100 3.016 42.335 1.00 17.77 O ATOM 1624 CB LEU A 123 30.624 5.975 41.239 1.00 16.88 C ATOM 1625 CG LEU A 123 30.985 7.194 40.273 1.00 15.12 C ATOM 1626 CD1 LEU A 123 29.705 7.915 39.907 1.00 15.86 C ATOM 1627 CD2 LEU A 123 31.906 8.209 40.994 1.00 16.22 C ATOM 0 H LEU A 123 32.027 4.205 40.025 1.00 12.74 H new ATOM 0 HA LEU A 123 32.486 5.852 42.144 1.00 14.82 H new ATOM 0 HB2 LEU A 123 30.044 5.358 40.766 1.00 16.88 H new ATOM 0 HB3 LEU A 123 30.122 6.311 41.998 1.00 16.88 H new ATOM 0 HG LEU A 123 31.436 6.845 39.488 1.00 15.12 H new ATOM 0 HD11 LEU A 123 29.909 8.659 39.319 1.00 15.86 H new ATOM 0 HD12 LEU A 123 29.106 7.301 39.454 1.00 15.86 H new ATOM 0 HD13 LEU A 123 29.279 8.247 40.713 1.00 15.86 H new ATOM 0 HD21 LEU A 123 32.114 8.941 40.393 1.00 16.22 H new ATOM 0 HD22 LEU A 123 31.454 8.555 41.780 1.00 16.22 H new ATOM 0 HD23 LEU A 123 32.727 7.768 41.262 1.00 16.22 H new ATOM 1639 N PRO A 124 31.370 4.444 44.010 1.00 13.50 N ATOM 1640 CA PRO A 124 30.944 3.499 45.063 1.00 14.89 C ATOM 1641 C PRO A 124 29.451 3.189 45.068 1.00 15.74 C ATOM 1642 O PRO A 124 28.622 3.974 44.637 1.00 19.67 O ATOM 1643 CB PRO A 124 31.429 4.166 46.334 1.00 14.54 C ATOM 1644 CG PRO A 124 31.307 5.671 46.013 1.00 11.58 C ATOM 1645 CD PRO A 124 31.744 5.779 44.561 1.00 12.84 C ATOM 0 HA PRO A 124 31.318 2.614 44.932 1.00 14.89 H new ATOM 0 HB2 PRO A 124 30.886 3.918 47.098 1.00 14.54 H new ATOM 0 HB3 PRO A 124 32.343 3.917 46.543 1.00 14.54 H new ATOM 0 HG2 PRO A 124 30.398 5.987 46.134 1.00 11.58 H new ATOM 0 HG3 PRO A 124 31.872 6.204 46.594 1.00 11.58 H new ATOM 0 HD2 PRO A 124 31.288 6.500 44.100 1.00 12.84 H new ATOM 0 HD3 PRO A 124 32.696 5.948 44.482 1.00 12.84 H new ATOM 1653 N THR A 125 29.181 2.033 45.579 1.00 19.47 N ATOM 1654 CA THR A 125 27.789 1.492 45.721 1.00 20.90 C ATOM 1655 C THR A 125 27.391 1.731 47.188 1.00 18.82 C ATOM 1656 O THR A 125 26.219 1.796 47.490 1.00 20.37 O ATOM 1657 CB THR A 125 27.756 -0.014 45.405 1.00 23.40 C ATOM 1658 OG1 THR A 125 28.974 -0.561 45.909 1.00 27.99 O ATOM 1659 CG2 THR A 125 27.771 -0.271 43.885 1.00 26.10 C ATOM 0 H THR A 125 29.788 1.498 45.872 1.00 19.47 H new ATOM 0 HA THR A 125 27.179 1.928 45.106 1.00 20.90 H new ATOM 0 HB THR A 125 26.955 -0.402 45.792 1.00 23.40 H new ATOM 0 HG1 THR A 125 29.563 -0.531 45.311 1.00 27.99 H new ATOM 0 HG21 THR A 125 27.750 -1.226 43.718 1.00 26.10 H new ATOM 0 HG22 THR A 125 26.995 0.145 43.479 1.00 26.10 H new ATOM 0 HG23 THR A 125 28.578 0.106 43.501 1.00 26.10 H new ATOM 1667 N SER A 127 28.364 1.815 48.063 1.00 18.67 N ATOM 1668 CA SER A 127 28.130 2.069 49.509 1.00 14.57 C ATOM 1669 C SER A 127 29.358 2.874 50.017 1.00 17.06 C ATOM 1670 O SER A 127 30.361 2.962 49.326 1.00 15.82 O ATOM 1671 CB SER A 127 28.017 0.751 50.289 1.00 15.22 C ATOM 1672 OG SER A 127 29.060 -0.082 49.799 1.00 18.91 O ATOM 0 H SER A 127 29.194 1.729 47.856 1.00 18.67 H new ATOM 0 HA SER A 127 27.300 2.554 49.640 1.00 14.57 H new ATOM 0 HB2 SER A 127 28.112 0.902 51.242 1.00 15.22 H new ATOM 0 HB3 SER A 127 27.150 0.339 50.152 1.00 15.22 H new ATOM 0 HG SER A 127 29.041 -0.820 50.199 1.00 18.91 H new ATOM 1678 N CYS A 128 29.261 3.413 51.193 1.00 13.36 N ATOM 1679 CA CYS A 128 30.385 4.199 51.764 1.00 14.43 C ATOM 1680 C CYS A 128 31.397 3.235 52.365 1.00 13.56 C ATOM 1681 O CYS A 128 31.035 2.117 52.675 1.00 19.65 O ATOM 1682 CB CYS A 128 29.812 5.111 52.814 1.00 11.92 C ATOM 1683 SG CYS A 128 28.599 6.324 52.243 1.00 14.61 S ATOM 0 H CYS A 128 28.568 3.354 51.699 1.00 13.36 H new ATOM 0 HA CYS A 128 30.835 4.729 51.088 1.00 14.43 H new ATOM 0 HB2 CYS A 128 29.397 4.564 53.499 1.00 11.92 H new ATOM 0 HB3 CYS A 128 30.544 5.587 53.236 1.00 11.92 H new ATOM 1688 N ALA A 129 32.612 3.679 52.524 1.00 16.99 N ATOM 1689 CA ALA A 129 33.680 2.805 53.099 1.00 16.60 C ATOM 1690 C ALA A 129 33.758 2.994 54.628 1.00 17.32 C ATOM 1691 O ALA A 129 33.533 4.084 55.106 1.00 22.94 O ATOM 1692 CB ALA A 129 35.023 3.178 52.457 1.00 16.87 C ATOM 0 H ALA A 129 32.869 4.473 52.317 1.00 16.99 H new ATOM 0 HA ALA A 129 33.473 1.875 52.915 1.00 16.60 H new ATOM 0 HB1 ALA A 129 35.724 2.616 52.823 1.00 16.87 H new ATOM 0 HB2 ALA A 129 34.971 3.045 51.498 1.00 16.87 H new ATOM 0 HB3 ALA A 129 35.224 4.108 52.644 1.00 16.87 H new ATOM 1698 N SER A 130 34.084 1.947 55.338 1.00 18.94 N ATOM 1699 CA SER A 130 34.190 1.987 56.836 1.00 21.91 C ATOM 1700 C SER A 130 35.534 2.480 57.327 1.00 18.39 C ATOM 1701 O SER A 130 36.521 2.350 56.625 1.00 20.63 O ATOM 1702 CB SER A 130 34.038 0.570 57.466 1.00 24.66 C ATOM 1703 OG SER A 130 33.526 -0.317 56.468 1.00 29.78 O ATOM 0 H SER A 130 34.257 1.177 54.996 1.00 18.94 H new ATOM 0 HA SER A 130 33.478 2.590 57.101 1.00 21.91 H new ATOM 0 HB2 SER A 130 34.895 0.252 57.792 1.00 24.66 H new ATOM 0 HB3 SER A 130 33.439 0.602 58.228 1.00 24.66 H new ATOM 0 HG SER A 130 33.440 -1.086 56.794 1.00 29.78 H new ATOM 1709 N ALA A 132 35.537 3.006 58.523 1.00 17.48 N ATOM 1710 CA ALA A 132 36.811 3.501 59.109 1.00 18.59 C ATOM 1711 C ALA A 132 37.737 2.272 59.138 1.00 20.27 C ATOM 1712 O ALA A 132 37.279 1.159 59.328 1.00 18.20 O ATOM 1713 CB ALA A 132 36.642 3.952 60.537 1.00 20.43 C ATOM 0 H ALA A 132 34.843 3.096 59.023 1.00 17.48 H new ATOM 0 HA ALA A 132 37.142 4.252 58.592 1.00 18.59 H new ATOM 0 HB1 ALA A 132 37.493 4.266 60.880 1.00 20.43 H new ATOM 0 HB2 ALA A 132 35.993 4.672 60.575 1.00 20.43 H new ATOM 0 HB3 ALA A 132 36.331 3.209 61.077 1.00 20.43 H new ATOM 1719 N GLY A 133 38.999 2.469 58.950 1.00 18.97 N ATOM 1720 CA GLY A 133 39.909 1.309 58.975 1.00 18.53 C ATOM 1721 C GLY A 133 40.234 0.937 57.562 1.00 16.27 C ATOM 1722 O GLY A 133 41.312 0.426 57.329 1.00 20.98 O ATOM 0 H GLY A 133 39.369 3.232 58.808 1.00 18.97 H new ATOM 0 HA2 GLY A 133 40.719 1.525 59.462 1.00 18.53 H new ATOM 0 HA3 GLY A 133 39.493 0.563 59.434 1.00 18.53 H new ATOM 1726 N THR A 134 39.351 1.182 56.636 1.00 13.16 N ATOM 1727 CA THR A 134 39.713 0.786 55.241 1.00 15.79 C ATOM 1728 C THR A 134 40.934 1.580 54.752 1.00 17.45 C ATOM 1729 O THR A 134 41.034 2.767 55.021 1.00 16.18 O ATOM 1730 CB THR A 134 38.507 1.060 54.315 1.00 15.57 C ATOM 1731 OG1 THR A 134 37.405 0.361 54.889 1.00 17.90 O ATOM 1732 CG2 THR A 134 38.673 0.446 52.913 1.00 13.76 C ATOM 0 H THR A 134 38.581 1.549 56.747 1.00 13.16 H new ATOM 0 HA THR A 134 39.937 -0.158 55.226 1.00 15.79 H new ATOM 0 HB THR A 134 38.403 2.021 54.233 1.00 15.57 H new ATOM 0 HG1 THR A 134 37.025 0.852 55.455 1.00 17.90 H new ATOM 0 HG21 THR A 134 37.891 0.648 52.376 1.00 13.76 H new ATOM 0 HG22 THR A 134 39.461 0.818 52.488 1.00 13.76 H new ATOM 0 HG23 THR A 134 38.772 -0.516 52.990 1.00 13.76 H new ATOM 1740 N GLN A 135 41.797 0.890 54.051 1.00 17.06 N ATOM 1741 CA GLN A 135 43.030 1.521 53.498 1.00 18.35 C ATOM 1742 C GLN A 135 42.640 2.029 52.120 1.00 16.71 C ATOM 1743 O GLN A 135 41.982 1.305 51.380 1.00 15.93 O ATOM 1744 CB GLN A 135 44.231 0.510 53.274 1.00 21.27 C ATOM 1745 CG GLN A 135 44.860 -0.016 54.570 0.50 22.68 C ATOM 1746 CD GLN A 135 45.703 1.091 55.213 0.50 24.60 C ATOM 1747 OE1 GLN A 135 46.371 1.865 54.562 0.50 24.24 O ATOM 1748 NE2 GLN A 135 45.725 1.221 56.499 0.50 25.74 N ATOM 0 H GLN A 135 41.712 0.054 53.869 1.00 17.06 H new ATOM 0 HA GLN A 135 43.333 2.195 54.127 1.00 18.35 H new ATOM 0 HB2 GLN A 135 43.913 -0.243 52.752 1.00 21.27 H new ATOM 0 HB3 GLN A 135 44.917 0.950 52.749 1.00 21.27 H new ATOM 0 HG2 GLN A 135 44.167 -0.306 55.183 0.50 22.68 H new ATOM 0 HG3 GLN A 135 45.414 -0.790 54.382 0.50 22.68 H new ATOM 0 HE21 GLN A 135 45.263 0.690 56.993 0.50 25.74 H new ATOM 0 HE22 GLN A 135 46.201 1.839 56.861 0.50 25.74 H new ATOM 1757 N CYS A 136 43.087 3.236 51.867 1.00 15.45 N ATOM 1758 CA CYS A 136 42.846 3.956 50.593 1.00 15.35 C ATOM 1759 C CYS A 136 44.166 4.421 50.026 1.00 15.96 C ATOM 1760 O CYS A 136 45.170 4.468 50.711 1.00 17.09 O ATOM 1761 CB CYS A 136 41.975 5.163 50.866 1.00 16.10 C ATOM 1762 SG CYS A 136 40.437 4.743 51.702 1.00 17.75 S ATOM 0 H CYS A 136 43.552 3.688 52.431 1.00 15.45 H new ATOM 0 HA CYS A 136 42.407 3.366 49.961 1.00 15.35 H new ATOM 0 HB2 CYS A 136 42.470 5.797 51.408 1.00 16.10 H new ATOM 0 HB3 CYS A 136 41.771 5.605 50.027 1.00 16.10 H new ATOM 1767 N LEU A 137 44.121 4.771 48.777 1.00 13.84 N ATOM 1768 CA LEU A 137 45.302 5.256 48.041 1.00 14.49 C ATOM 1769 C LEU A 137 44.919 6.693 47.666 1.00 14.77 C ATOM 1770 O LEU A 137 43.871 6.881 47.052 1.00 9.41 O ATOM 1771 CB LEU A 137 45.543 4.463 46.723 1.00 14.27 C ATOM 1772 CG LEU A 137 46.778 5.068 45.979 1.00 15.46 C ATOM 1773 CD1 LEU A 137 48.090 4.816 46.825 1.00 17.13 C ATOM 1774 CD2 LEU A 137 46.893 4.404 44.611 1.00 16.70 C ATOM 0 H LEU A 137 43.404 4.742 48.303 1.00 13.84 H new ATOM 0 HA LEU A 137 46.108 5.167 48.573 1.00 14.49 H new ATOM 0 HB2 LEU A 137 45.697 3.526 46.920 1.00 14.27 H new ATOM 0 HB3 LEU A 137 44.757 4.508 46.157 1.00 14.27 H new ATOM 0 HG LEU A 137 46.666 6.025 45.868 1.00 15.46 H new ATOM 0 HD11 LEU A 137 48.853 5.193 46.359 1.00 17.13 H new ATOM 0 HD12 LEU A 137 48.001 5.238 47.694 1.00 17.13 H new ATOM 0 HD13 LEU A 137 48.222 3.862 46.941 1.00 17.13 H new ATOM 0 HD21 LEU A 137 47.656 4.770 44.137 1.00 16.70 H new ATOM 0 HD22 LEU A 137 47.011 3.448 44.724 1.00 16.70 H new ATOM 0 HD23 LEU A 137 46.085 4.572 44.101 1.00 16.70 H new ATOM 1786 N ILE A 138 45.784 7.602 48.035 1.00 14.88 N ATOM 1787 CA ILE A 138 45.617 9.064 47.779 1.00 15.69 C ATOM 1788 C ILE A 138 46.785 9.434 46.833 1.00 17.46 C ATOM 1789 O ILE A 138 47.914 9.072 47.129 1.00 15.43 O ATOM 1790 CB ILE A 138 45.713 9.735 49.139 1.00 16.49 C ATOM 1791 CG1 ILE A 138 44.672 9.069 50.090 1.00 15.86 C ATOM 1792 CG2 ILE A 138 45.457 11.227 49.024 1.00 18.38 C ATOM 1793 CD1 ILE A 138 44.819 9.582 51.530 1.00 15.66 C ATOM 0 H ILE A 138 46.511 7.410 48.453 1.00 14.88 H new ATOM 0 HA ILE A 138 44.780 9.333 47.369 1.00 15.69 H new ATOM 0 HB ILE A 138 46.607 9.622 49.498 1.00 16.49 H new ATOM 0 HG12 ILE A 138 43.775 9.253 49.770 1.00 15.86 H new ATOM 0 HG13 ILE A 138 44.787 8.106 50.075 1.00 15.86 H new ATOM 0 HG21 ILE A 138 45.523 11.635 49.901 1.00 18.38 H new ATOM 0 HG22 ILE A 138 46.116 11.624 48.433 1.00 18.38 H new ATOM 0 HG23 ILE A 138 44.569 11.376 48.664 1.00 18.38 H new ATOM 0 HD11 ILE A 138 44.160 9.151 52.096 1.00 15.66 H new ATOM 0 HD12 ILE A 138 45.709 9.378 51.857 1.00 15.66 H new ATOM 0 HD13 ILE A 138 44.681 10.542 51.547 1.00 15.66 H new ATOM 1805 N SER A 139 46.522 10.120 45.740 1.00 17.97 N ATOM 1806 CA SER A 139 47.632 10.492 44.810 1.00 17.85 C ATOM 1807 C SER A 139 47.547 11.954 44.356 1.00 20.99 C ATOM 1808 O SER A 139 46.549 12.627 44.585 1.00 22.95 O ATOM 1809 CB SER A 139 47.578 9.511 43.605 1.00 14.52 C ATOM 1810 OG SER A 139 46.222 9.495 43.163 1.00 14.91 O ATOM 0 H SER A 139 45.739 10.385 45.502 1.00 17.97 H new ATOM 0 HA SER A 139 48.483 10.417 45.269 1.00 17.85 H new ATOM 0 HB2 SER A 139 48.170 9.803 42.894 1.00 14.52 H new ATOM 0 HB3 SER A 139 47.867 8.623 43.868 1.00 14.52 H new ATOM 0 HG SER A 139 46.136 10.009 42.504 1.00 14.91 H new ATOM 1816 N GLY A 140 48.597 12.417 43.719 1.00 25.58 N ATOM 1817 CA GLY A 140 48.622 13.822 43.223 1.00 24.29 C ATOM 1818 C GLY A 140 50.024 14.345 43.096 1.00 25.07 C ATOM 1819 O GLY A 140 50.962 13.663 43.449 1.00 28.57 O ATOM 0 H GLY A 140 49.307 11.961 43.553 1.00 25.58 H new ATOM 0 HA2 GLY A 140 48.180 13.868 42.361 1.00 24.29 H new ATOM 0 HA3 GLY A 140 48.120 14.388 43.830 1.00 24.29 H new ATOM 1823 N TRP A 141 50.126 15.548 42.600 1.00 26.02 N ATOM 1824 CA TRP A 141 51.450 16.251 42.389 1.00 25.23 C ATOM 1825 C TRP A 141 51.626 17.403 43.385 1.00 31.54 C ATOM 1826 O TRP A 141 52.238 18.398 43.052 1.00 37.01 O ATOM 1827 CB TRP A 141 51.477 16.856 40.989 1.00 19.19 C ATOM 1828 CG TRP A 141 51.516 15.839 39.863 1.00 18.96 C ATOM 1829 CD1 TRP A 141 52.672 15.334 39.342 1.00 16.75 C ATOM 1830 CD2 TRP A 141 50.448 15.317 39.198 1.00 16.26 C ATOM 1831 NE1 TRP A 141 52.240 14.538 38.382 1.00 17.90 N ATOM 1832 CE2 TRP A 141 50.930 14.458 38.212 1.00 14.77 C ATOM 1833 CE3 TRP A 141 49.071 15.508 39.336 1.00 12.19 C ATOM 1834 CZ2 TRP A 141 50.064 13.805 37.378 1.00 15.32 C ATOM 1835 CZ3 TRP A 141 48.178 14.838 38.483 1.00 13.70 C ATOM 1836 CH2 TRP A 141 48.693 13.983 37.501 1.00 13.48 C ATOM 0 H TRP A 141 49.445 16.017 42.362 1.00 26.02 H new ATOM 0 HA TRP A 141 52.158 15.599 42.512 1.00 25.23 H new ATOM 0 HB2 TRP A 141 50.693 17.416 40.876 1.00 19.19 H new ATOM 0 HB3 TRP A 141 52.252 17.434 40.914 1.00 19.19 H new ATOM 0 HD1 TRP A 141 53.548 15.508 39.600 1.00 16.75 H new ATOM 0 HE1 TRP A 141 52.785 14.091 37.889 1.00 17.90 H new ATOM 0 HE3 TRP A 141 48.745 16.079 39.993 1.00 12.19 H new ATOM 0 HZ2 TRP A 141 50.397 13.236 36.722 1.00 15.32 H new ATOM 0 HZ3 TRP A 141 47.260 14.960 38.569 1.00 13.70 H new ATOM 0 HH2 TRP A 141 48.114 13.533 36.929 1.00 13.48 H new ATOM 1847 N GLY A 142 51.141 17.300 44.579 1.00 34.53 N ATOM 1848 CA GLY A 142 51.292 18.450 45.560 0.52 37.59 C ATOM 1849 C GLY A 142 52.593 18.577 46.322 0.52 39.45 C ATOM 1850 O GLY A 142 53.497 17.780 46.132 0.52 37.78 O ATOM 0 H GLY A 142 50.723 16.612 44.882 1.00 34.53 H new ATOM 0 HA2 GLY A 142 51.154 19.276 45.071 0.52 37.59 H new ATOM 0 HA3 GLY A 142 50.574 18.381 46.209 0.52 37.59 H new ATOM 1854 N ASN A 143 52.592 19.590 47.154 1.00 41.71 N ATOM 1855 CA ASN A 143 53.768 19.918 48.016 1.00 41.42 C ATOM 1856 C ASN A 143 54.137 18.648 48.758 0.87 43.63 C ATOM 1857 O ASN A 143 53.233 17.893 49.118 0.87 44.64 O ATOM 1858 CB ASN A 143 53.364 21.068 48.993 0.87 40.40 C ATOM 1859 CG ASN A 143 54.574 21.632 49.775 0.87 40.79 C ATOM 1860 OD1 ASN A 143 55.725 21.366 49.474 0.87 40.17 O ATOM 1861 ND2 ASN A 143 54.389 22.426 50.786 0.87 39.08 N ATOM 0 H ASN A 143 51.924 20.122 47.255 1.00 41.71 H new ATOM 0 HA ASN A 143 54.533 20.224 47.503 1.00 41.42 H new ATOM 0 HB2 ASN A 143 52.945 21.784 48.490 0.87 40.40 H new ATOM 0 HB3 ASN A 143 52.702 20.738 49.621 0.87 40.40 H new ATOM 0 HD21 ASN A 143 55.065 22.742 51.214 0.87 39.08 H new ATOM 0 HD22 ASN A 143 53.591 22.636 51.027 0.87 39.08 H new ATOM 1868 N THR A 144 55.412 18.433 48.954 0.52 44.07 N ATOM 1869 CA THR A 144 55.883 17.217 49.675 0.52 43.69 C ATOM 1870 C THR A 144 56.571 17.545 50.993 1.00 46.32 C ATOM 1871 O THR A 144 57.133 16.659 51.618 1.00 51.71 O ATOM 1872 CB THR A 144 56.859 16.454 48.769 0.78 43.50 C ATOM 1873 OG1 THR A 144 57.795 17.451 48.359 0.78 42.93 O ATOM 1874 CG2 THR A 144 56.249 15.969 47.456 0.78 43.60 C ATOM 0 H THR A 144 56.038 18.960 48.690 0.52 44.07 H new ATOM 0 HA THR A 144 55.104 16.678 49.885 0.52 43.69 H new ATOM 0 HB THR A 144 57.192 15.685 49.257 0.78 43.50 H new ATOM 0 HG1 THR A 144 58.370 17.105 47.854 0.78 42.93 H new ATOM 0 HG21 THR A 144 56.923 15.499 46.940 0.78 43.60 H new ATOM 0 HG22 THR A 144 55.510 15.370 47.644 0.78 43.60 H new ATOM 0 HG23 THR A 144 55.927 16.730 46.948 0.78 43.60 H new ATOM 1882 N LYS A 145 56.520 18.780 51.398 0.50 44.91 N ATOM 1883 CA LYS A 145 57.171 19.184 52.678 0.50 42.82 C ATOM 1884 C LYS A 145 56.091 19.751 53.584 0.50 42.60 C ATOM 1885 O LYS A 145 55.226 20.462 53.119 0.50 44.01 O ATOM 1886 CB LYS A 145 58.210 20.257 52.385 0.50 40.97 C ATOM 1887 CG LYS A 145 59.298 19.696 51.447 0.50 38.05 C ATOM 1888 CD LYS A 145 60.288 18.799 52.229 0.10 37.10 C ATOM 1889 CE LYS A 145 61.174 18.016 51.236 0.10 36.44 C ATOM 1890 NZ LYS A 145 60.354 16.976 50.552 0.10 35.73 N ATOM 0 H LYS A 145 56.126 19.416 50.975 0.50 44.91 H new ATOM 0 HA LYS A 145 57.606 18.428 53.103 0.50 42.82 H new ATOM 0 HB2 LYS A 145 57.785 21.026 51.975 0.50 40.97 H new ATOM 0 HB3 LYS A 145 58.612 20.563 53.213 0.50 40.97 H new ATOM 0 HG2 LYS A 145 58.884 19.184 50.735 0.50 38.05 H new ATOM 0 HG3 LYS A 145 59.779 20.427 51.028 0.50 38.05 H new ATOM 0 HD2 LYS A 145 60.842 19.343 52.811 0.10 37.10 H new ATOM 0 HD3 LYS A 145 59.800 18.182 52.797 0.10 37.10 H new ATOM 0 HE2 LYS A 145 61.557 18.622 50.582 0.10 36.44 H new ATOM 0 HE3 LYS A 145 61.914 17.601 51.706 0.10 36.44 H new ATOM 0 HZ1 LYS A 145 60.887 16.336 50.238 0.10 35.73 H new ATOM 0 HZ2 LYS A 145 59.778 16.623 51.131 0.10 35.73 H new ATOM 0 HZ3 LYS A 145 59.907 17.346 49.878 0.10 35.73 H new ATOM 1904 N SER A 146 56.154 19.444 54.842 0.22 41.37 N ATOM 1905 CA SER A 146 55.126 19.980 55.773 0.22 40.65 C ATOM 1906 C SER A 146 55.595 21.417 56.028 0.22 41.14 C ATOM 1907 O SER A 146 54.900 22.393 55.821 0.22 42.22 O ATOM 1908 CB SER A 146 55.139 19.135 57.081 0.22 39.93 C ATOM 1909 OG SER A 146 56.238 18.227 56.926 0.22 38.81 O ATOM 0 H SER A 146 56.754 18.943 55.200 0.22 41.37 H new ATOM 0 HA SER A 146 54.219 19.949 55.430 0.22 40.65 H new ATOM 0 HB2 SER A 146 55.256 19.698 57.862 0.22 39.93 H new ATOM 0 HB3 SER A 146 54.303 18.658 57.199 0.22 39.93 H new ATOM 0 HG SER A 146 56.956 18.620 57.115 0.22 38.81 H new ATOM 1915 N SER A 147 56.813 21.480 56.467 0.01 40.80 N ATOM 1916 CA SER A 147 57.445 22.785 56.775 0.84 41.62 C ATOM 1917 C SER A 147 58.415 23.068 55.626 0.84 43.50 C ATOM 1918 O SER A 147 59.603 22.842 55.739 0.01 43.29 O ATOM 1919 CB SER A 147 58.169 22.644 58.117 0.01 40.24 C ATOM 1920 OG SER A 147 57.211 21.989 58.953 0.01 40.37 O ATOM 0 H SER A 147 57.315 20.795 56.603 0.01 40.80 H new ATOM 0 HA SER A 147 56.813 23.517 56.852 0.84 41.62 H new ATOM 0 HB2 SER A 147 58.982 22.122 58.030 0.01 40.24 H new ATOM 0 HB3 SER A 147 58.424 23.508 58.477 0.01 40.24 H new ATOM 0 HG SER A 147 57.539 21.873 59.718 0.01 40.37 H new ATOM 1926 N GLY A 148 57.892 23.540 54.538 0.51 43.79 N ATOM 1927 CA GLY A 148 58.767 23.845 53.378 0.51 43.38 C ATOM 1928 C GLY A 148 57.936 23.699 52.126 0.51 43.46 C ATOM 1929 O GLY A 148 56.830 23.203 52.169 0.51 43.83 O ATOM 0 H GLY A 148 57.055 23.699 54.421 0.51 43.79 H new ATOM 0 HA2 GLY A 148 59.123 24.745 53.447 0.51 43.38 H new ATOM 0 HA3 GLY A 148 59.526 23.241 53.356 0.51 43.38 H new ATOM 1933 N THR A 149 58.474 24.135 51.033 0.41 43.11 N ATOM 1934 CA THR A 149 57.745 24.048 49.751 0.41 42.38 C ATOM 1935 C THR A 149 58.617 23.258 48.778 0.41 42.78 C ATOM 1936 O THR A 149 59.718 23.690 48.489 0.41 41.07 O ATOM 1937 CB THR A 149 57.516 25.480 49.265 0.41 40.63 C ATOM 1938 OG1 THR A 149 57.002 26.179 50.408 0.41 40.36 O ATOM 1939 CG2 THR A 149 56.417 25.532 48.190 0.41 39.74 C ATOM 0 H THR A 149 59.256 24.488 50.982 0.41 43.11 H new ATOM 0 HA THR A 149 56.888 23.601 49.833 0.41 42.38 H new ATOM 0 HB THR A 149 58.334 25.848 48.897 0.41 40.63 H new ATOM 0 HG1 THR A 149 56.856 26.981 50.204 0.41 40.36 H new ATOM 0 HG21 THR A 149 56.292 26.449 47.899 0.41 39.74 H new ATOM 0 HG22 THR A 149 56.679 24.986 47.432 0.41 39.74 H new ATOM 0 HG23 THR A 149 55.586 25.194 48.560 0.41 39.74 H new ATOM 1947 N SER A 150 58.140 22.143 48.321 0.59 43.06 N ATOM 1948 CA SER A 150 58.908 21.329 47.366 0.59 44.73 C ATOM 1949 C SER A 150 57.763 20.830 46.478 0.59 43.56 C ATOM 1950 O SER A 150 56.906 20.102 46.954 0.59 43.26 O ATOM 1951 CB SER A 150 59.599 20.197 48.133 0.59 45.48 C ATOM 1952 OG SER A 150 60.702 19.713 47.357 0.59 46.16 O ATOM 0 H SER A 150 57.374 21.818 48.537 0.59 43.06 H new ATOM 0 HA SER A 150 59.616 21.771 46.872 0.59 44.73 H new ATOM 0 HB2 SER A 150 59.910 20.517 48.994 0.59 45.48 H new ATOM 0 HB3 SER A 150 58.971 19.478 48.307 0.59 45.48 H new ATOM 0 HG SER A 150 61.087 19.093 47.773 0.59 46.16 H new ATOM 1958 N TYR A 151 57.749 21.237 45.237 1.00 43.06 N ATOM 1959 CA TYR A 151 56.655 20.760 44.353 1.00 43.29 C ATOM 1960 C TYR A 151 57.315 19.766 43.420 1.00 40.75 C ATOM 1961 O TYR A 151 58.206 20.120 42.668 1.00 39.36 O ATOM 1962 CB TYR A 151 56.043 21.895 43.534 0.64 42.92 C ATOM 1963 CG TYR A 151 54.893 22.457 44.379 0.64 45.17 C ATOM 1964 CD1 TYR A 151 53.628 21.902 44.274 0.64 46.09 C ATOM 1965 CD2 TYR A 151 55.079 23.507 45.254 0.64 47.01 C ATOM 1966 CE1 TYR A 151 52.580 22.387 45.029 0.64 46.06 C ATOM 1967 CE2 TYR A 151 54.016 23.991 46.010 0.64 47.80 C ATOM 1968 CZ TYR A 151 52.763 23.425 45.893 0.64 46.01 C ATOM 1969 OH TYR A 151 51.679 23.865 46.609 0.64 47.19 O ATOM 0 H TYR A 151 58.324 21.765 44.875 1.00 43.06 H new ATOM 0 HA TYR A 151 55.932 20.378 44.875 1.00 43.29 H new ATOM 0 HB2 TYR A 151 56.702 22.581 43.345 0.64 42.92 H new ATOM 0 HB3 TYR A 151 55.719 21.570 42.679 0.64 42.92 H new ATOM 0 HD1 TYR A 151 53.484 21.194 43.688 0.64 46.09 H new ATOM 0 HD2 TYR A 151 55.920 23.894 45.339 0.64 47.01 H new ATOM 0 HE1 TYR A 151 51.738 22.001 44.947 0.64 46.06 H new ATOM 0 HE2 TYR A 151 54.151 24.700 46.597 0.64 47.80 H new ATOM 0 HH TYR A 151 51.910 24.502 47.105 0.64 47.19 H new ATOM 1979 N PRO A 152 56.867 18.543 43.492 1.00 42.54 N ATOM 1980 CA PRO A 152 57.442 17.443 42.709 1.00 42.67 C ATOM 1981 C PRO A 152 56.834 17.558 41.319 1.00 41.93 C ATOM 1982 O PRO A 152 55.827 18.216 41.130 1.00 37.60 O ATOM 1983 CB PRO A 152 57.008 16.171 43.471 0.61 42.78 C ATOM 1984 CG PRO A 152 55.569 16.565 43.960 0.61 42.33 C ATOM 1985 CD PRO A 152 55.734 18.060 44.362 0.61 43.23 C ATOM 0 HA PRO A 152 58.407 17.441 42.607 1.00 42.67 H new ATOM 0 HB2 PRO A 152 56.996 15.389 42.897 0.61 42.78 H new ATOM 0 HB3 PRO A 152 57.602 15.970 44.211 0.61 42.78 H new ATOM 0 HG2 PRO A 152 54.908 16.452 43.259 0.61 42.33 H new ATOM 0 HG3 PRO A 152 55.283 16.021 44.710 0.61 42.33 H new ATOM 0 HD2 PRO A 152 54.921 18.564 44.200 0.61 43.23 H new ATOM 0 HD3 PRO A 152 55.944 18.154 45.304 0.61 43.23 H new ATOM 1993 N ASP A 153 57.449 16.898 40.391 1.00 42.08 N ATOM 1994 CA ASP A 153 56.905 16.960 39.008 1.00 43.15 C ATOM 1995 C ASP A 153 56.268 15.618 38.666 1.00 36.13 C ATOM 1996 O ASP A 153 55.497 15.559 37.732 1.00 30.90 O ATOM 1997 CB ASP A 153 58.069 17.327 38.039 1.00 46.86 C ATOM 1998 CG ASP A 153 58.569 18.743 38.418 1.00 48.55 C ATOM 1999 OD1 ASP A 153 57.738 19.633 38.330 1.00 51.67 O ATOM 2000 OD2 ASP A 153 59.732 18.870 38.774 1.00 53.65 O ATOM 0 H ASP A 153 58.155 16.418 40.499 1.00 42.08 H new ATOM 0 HA ASP A 153 56.218 17.639 38.925 1.00 43.15 H new ATOM 0 HB2 ASP A 153 58.789 16.681 38.112 1.00 46.86 H new ATOM 0 HB3 ASP A 153 57.764 17.309 37.118 1.00 46.86 H new ATOM 2005 N VAL A 154 56.587 14.586 39.416 1.00 33.35 N ATOM 2006 CA VAL A 154 55.994 13.248 39.130 1.00 30.40 C ATOM 2007 C VAL A 154 54.984 12.942 40.243 1.00 28.09 C ATOM 2008 O VAL A 154 54.999 13.467 41.346 1.00 27.95 O ATOM 2009 CB VAL A 154 57.090 12.137 39.097 1.00 30.42 C ATOM 2010 CG1 VAL A 154 57.966 12.277 37.821 1.00 30.36 C ATOM 2011 CG2 VAL A 154 58.016 12.259 40.326 1.00 31.92 C ATOM 0 H VAL A 154 57.128 14.612 40.084 1.00 33.35 H new ATOM 0 HA VAL A 154 55.566 13.262 38.260 1.00 30.40 H new ATOM 0 HB VAL A 154 56.640 11.278 39.101 1.00 30.42 H new ATOM 0 HG11 VAL A 154 58.642 11.581 37.814 1.00 30.36 H new ATOM 0 HG12 VAL A 154 57.407 12.192 37.033 1.00 30.36 H new ATOM 0 HG13 VAL A 154 58.397 13.146 37.818 1.00 30.36 H new ATOM 0 HG21 VAL A 154 58.691 11.564 40.293 1.00 31.92 H new ATOM 0 HG22 VAL A 154 58.447 13.128 40.322 1.00 31.92 H new ATOM 0 HG23 VAL A 154 57.492 12.162 41.137 1.00 31.92 H new ATOM 2021 N LEU A 155 54.132 12.065 39.869 1.00 26.04 N ATOM 2022 CA LEU A 155 53.055 11.615 40.755 1.00 23.85 C ATOM 2023 C LEU A 155 53.518 10.981 42.049 1.00 22.15 C ATOM 2024 O LEU A 155 54.454 10.199 42.035 1.00 23.23 O ATOM 2025 CB LEU A 155 52.216 10.635 39.942 1.00 24.31 C ATOM 2026 CG LEU A 155 50.756 11.038 39.844 1.00 28.24 C ATOM 2027 CD1 LEU A 155 50.014 9.775 39.707 1.00 29.46 C ATOM 2028 CD2 LEU A 155 50.183 11.867 41.039 1.00 29.27 C ATOM 0 H LEU A 155 54.135 11.692 39.094 1.00 26.04 H new ATOM 0 HA LEU A 155 52.550 12.391 41.046 1.00 23.85 H new ATOM 0 HB2 LEU A 155 52.587 10.564 39.048 1.00 24.31 H new ATOM 0 HB3 LEU A 155 52.276 9.755 40.345 1.00 24.31 H new ATOM 0 HG LEU A 155 50.663 11.644 39.093 1.00 28.24 H new ATOM 0 HD11 LEU A 155 49.065 9.963 39.639 1.00 29.46 H new ATOM 0 HD12 LEU A 155 50.309 9.311 38.908 1.00 29.46 H new ATOM 0 HD13 LEU A 155 50.178 9.217 40.484 1.00 29.46 H new ATOM 0 HD21 LEU A 155 49.249 12.069 40.874 1.00 29.27 H new ATOM 0 HD22 LEU A 155 50.262 11.353 41.858 1.00 29.27 H new ATOM 0 HD23 LEU A 155 50.682 12.694 41.128 1.00 29.27 H new ATOM 2040 N LYS A 156 52.849 11.325 43.111 1.00 19.37 N ATOM 2041 CA LYS A 156 53.173 10.775 44.458 1.00 22.40 C ATOM 2042 C LYS A 156 51.896 10.081 44.976 1.00 23.17 C ATOM 2043 O LYS A 156 50.777 10.524 44.732 1.00 19.62 O ATOM 2044 CB LYS A 156 53.564 11.892 45.418 1.00 25.02 C ATOM 2045 CG LYS A 156 54.892 12.557 44.928 1.00 28.63 C ATOM 2046 CD LYS A 156 56.093 11.545 45.011 1.00 28.71 C ATOM 2047 CE LYS A 156 57.420 12.310 44.668 1.00 30.76 C ATOM 2048 NZ LYS A 156 58.602 11.485 45.038 0.50 28.30 N ATOM 0 H LYS A 156 52.192 11.879 43.104 1.00 19.37 H new ATOM 0 HA LYS A 156 53.919 10.158 44.399 1.00 22.40 H new ATOM 0 HB2 LYS A 156 52.857 12.554 45.465 1.00 25.02 H new ATOM 0 HB3 LYS A 156 53.679 11.537 46.313 1.00 25.02 H new ATOM 0 HG2 LYS A 156 54.786 12.864 44.014 1.00 28.63 H new ATOM 0 HG3 LYS A 156 55.085 13.339 45.469 1.00 28.63 H new ATOM 0 HD2 LYS A 156 56.147 11.159 45.899 1.00 28.71 H new ATOM 0 HD3 LYS A 156 55.958 10.811 44.391 1.00 28.71 H new ATOM 0 HE2 LYS A 156 57.446 12.517 43.721 1.00 30.76 H new ATOM 0 HE3 LYS A 156 57.446 13.155 45.144 1.00 30.76 H new ATOM 0 HZ1 LYS A 156 59.347 11.910 44.800 0.50 28.30 H new ATOM 0 HZ2 LYS A 156 58.606 11.350 45.918 0.50 28.30 H new ATOM 0 HZ3 LYS A 156 58.560 10.701 44.618 0.50 28.30 H new ATOM 2062 N CYS A 157 52.151 9.018 45.685 1.00 22.44 N ATOM 2063 CA CYS A 157 51.114 8.148 46.297 1.00 22.04 C ATOM 2064 C CYS A 157 51.278 8.026 47.796 1.00 22.64 C ATOM 2065 O CYS A 157 52.368 8.166 48.312 1.00 25.71 O ATOM 2066 CB CYS A 157 51.214 6.754 45.658 1.00 22.73 C ATOM 2067 SG CYS A 157 50.448 6.492 44.045 1.00 25.45 S ATOM 0 H CYS A 157 52.953 8.750 45.845 1.00 22.44 H new ATOM 0 HA CYS A 157 50.246 8.549 46.135 1.00 22.04 H new ATOM 0 HB2 CYS A 157 52.155 6.533 45.578 1.00 22.73 H new ATOM 0 HB3 CYS A 157 50.825 6.117 46.277 1.00 22.73 H new ATOM 2072 N LEU A 158 50.185 7.772 48.444 1.00 20.39 N ATOM 2073 CA LEU A 158 50.145 7.606 49.905 1.00 21.42 C ATOM 2074 C LEU A 158 49.018 6.608 50.267 1.00 21.32 C ATOM 2075 O LEU A 158 47.882 6.845 49.889 1.00 19.36 O ATOM 2076 CB LEU A 158 49.892 8.996 50.538 1.00 23.66 C ATOM 2077 CG LEU A 158 49.569 8.846 52.073 1.00 25.86 C ATOM 2078 CD1 LEU A 158 50.821 8.368 52.826 1.00 27.21 C ATOM 2079 CD2 LEU A 158 49.086 10.175 52.666 1.00 28.46 C ATOM 0 H LEU A 158 49.419 7.685 48.063 1.00 20.39 H new ATOM 0 HA LEU A 158 50.982 7.252 50.244 1.00 21.42 H new ATOM 0 HB2 LEU A 158 50.672 9.560 50.419 1.00 23.66 H new ATOM 0 HB3 LEU A 158 49.154 9.434 50.087 1.00 23.66 H new ATOM 0 HG LEU A 158 48.860 8.191 52.171 1.00 25.86 H new ATOM 0 HD11 LEU A 158 50.616 8.278 53.770 1.00 27.21 H new ATOM 0 HD12 LEU A 158 51.103 7.510 52.473 1.00 27.21 H new ATOM 0 HD13 LEU A 158 51.535 9.015 52.711 1.00 27.21 H new ATOM 0 HD21 LEU A 158 48.894 10.058 53.610 1.00 28.46 H new ATOM 0 HD22 LEU A 158 49.777 10.848 52.558 1.00 28.46 H new ATOM 0 HD23 LEU A 158 48.282 10.462 52.206 1.00 28.46 H new ATOM 2091 N LYS A 159 49.335 5.553 50.973 1.00 20.67 N ATOM 2092 CA LYS A 159 48.323 4.530 51.386 1.00 21.52 C ATOM 2093 C LYS A 159 47.999 4.985 52.784 1.00 19.83 C ATOM 2094 O LYS A 159 48.913 5.105 53.580 1.00 23.59 O ATOM 2095 CB LYS A 159 48.907 3.140 51.481 1.00 22.62 C ATOM 2096 CG LYS A 159 49.086 2.541 50.082 1.00 25.36 C ATOM 2097 CD LYS A 159 49.672 1.115 50.249 0.15 24.79 C ATOM 2098 CE LYS A 159 49.606 0.351 48.913 0.15 25.49 C ATOM 2099 NZ LYS A 159 50.412 1.044 47.875 0.15 25.05 N ATOM 0 H LYS A 159 50.134 5.383 51.241 1.00 20.67 H new ATOM 0 HA LYS A 159 47.583 4.473 50.761 1.00 21.52 H new ATOM 0 HB2 LYS A 159 49.762 3.172 51.938 1.00 22.62 H new ATOM 0 HB3 LYS A 159 48.324 2.573 52.010 1.00 22.62 H new ATOM 0 HG2 LYS A 159 48.236 2.507 49.615 1.00 25.36 H new ATOM 0 HG3 LYS A 159 49.680 3.093 49.549 1.00 25.36 H new ATOM 0 HD2 LYS A 159 50.592 1.170 50.552 0.15 24.79 H new ATOM 0 HD3 LYS A 159 49.177 0.633 50.930 0.15 24.79 H new ATOM 0 HE2 LYS A 159 49.935 -0.553 49.035 0.15 25.49 H new ATOM 0 HE3 LYS A 159 48.684 0.280 48.620 0.15 25.49 H new ATOM 0 HZ1 LYS A 159 50.399 0.569 47.123 0.15 25.05 H new ATOM 0 HZ2 LYS A 159 50.069 1.851 47.722 0.15 25.05 H new ATOM 0 HZ3 LYS A 159 51.252 1.128 48.158 0.15 25.05 H new ATOM 2113 N ALA A 160 46.749 5.230 53.055 1.00 19.29 N ATOM 2114 CA ALA A 160 46.330 5.695 54.406 1.00 18.17 C ATOM 2115 C ALA A 160 44.917 5.193 54.706 1.00 16.26 C ATOM 2116 O ALA A 160 44.093 5.081 53.815 1.00 15.79 O ATOM 2117 CB ALA A 160 46.321 7.230 54.466 1.00 18.76 C ATOM 0 H ALA A 160 46.106 5.142 52.491 1.00 19.29 H new ATOM 0 HA ALA A 160 46.959 5.347 55.058 1.00 18.17 H new ATOM 0 HB1 ALA A 160 46.046 7.518 55.351 1.00 18.76 H new ATOM 0 HB2 ALA A 160 47.211 7.567 54.279 1.00 18.76 H new ATOM 0 HB3 ALA A 160 45.700 7.576 53.807 1.00 18.76 H new ATOM 2123 N PRO A 161 44.641 4.905 55.951 1.00 17.95 N ATOM 2124 CA PRO A 161 43.299 4.448 56.327 1.00 18.75 C ATOM 2125 C PRO A 161 42.315 5.569 56.640 1.00 13.75 C ATOM 2126 O PRO A 161 42.698 6.691 56.927 1.00 13.12 O ATOM 2127 CB PRO A 161 43.577 3.528 57.521 1.00 18.92 C ATOM 2128 CG PRO A 161 44.713 4.339 58.253 1.00 18.72 C ATOM 2129 CD PRO A 161 45.567 4.933 57.122 1.00 18.35 C ATOM 0 HA PRO A 161 42.846 3.999 55.596 1.00 18.75 H new ATOM 0 HB2 PRO A 161 42.794 3.403 58.080 1.00 18.92 H new ATOM 0 HB3 PRO A 161 43.873 2.646 57.246 1.00 18.92 H new ATOM 0 HG2 PRO A 161 44.341 5.036 58.815 1.00 18.72 H new ATOM 0 HG3 PRO A 161 45.242 3.763 58.827 1.00 18.72 H new ATOM 0 HD2 PRO A 161 45.858 5.835 57.328 1.00 18.35 H new ATOM 0 HD3 PRO A 161 46.366 4.407 56.961 1.00 18.35 H new ATOM 2137 N ILE A 162 41.071 5.188 56.570 1.00 13.62 N ATOM 2138 CA ILE A 162 40.012 6.164 56.868 1.00 13.22 C ATOM 2139 C ILE A 162 39.972 6.146 58.395 1.00 13.55 C ATOM 2140 O ILE A 162 40.034 5.096 59.022 1.00 14.75 O ATOM 2141 CB ILE A 162 38.682 5.688 56.270 1.00 10.84 C ATOM 2142 CG1 ILE A 162 38.788 5.695 54.741 1.00 13.14 C ATOM 2143 CG2 ILE A 162 37.506 6.561 56.733 1.00 11.96 C ATOM 2144 CD1 ILE A 162 37.469 5.210 54.082 1.00 16.48 C ATOM 0 H ILE A 162 40.803 4.398 56.360 1.00 13.62 H new ATOM 0 HA ILE A 162 40.167 7.049 56.502 1.00 13.22 H new ATOM 0 HB ILE A 162 38.508 4.786 56.583 1.00 10.84 H new ATOM 0 HG12 ILE A 162 38.995 6.591 54.433 1.00 13.14 H new ATOM 0 HG13 ILE A 162 39.520 5.123 54.463 1.00 13.14 H new ATOM 0 HG21 ILE A 162 36.684 6.233 56.337 1.00 11.96 H new ATOM 0 HG22 ILE A 162 37.436 6.524 57.700 1.00 11.96 H new ATOM 0 HG23 ILE A 162 37.655 7.478 56.455 1.00 11.96 H new ATOM 0 HD11 ILE A 162 37.565 5.225 53.117 1.00 16.48 H new ATOM 0 HD12 ILE A 162 37.275 4.305 54.373 1.00 16.48 H new ATOM 0 HD13 ILE A 162 36.742 5.796 54.343 1.00 16.48 H new ATOM 2156 N LEU A 163 39.863 7.306 58.963 1.00 12.87 N ATOM 2157 CA LEU A 163 39.822 7.401 60.435 1.00 13.69 C ATOM 2158 C LEU A 163 38.371 7.402 60.895 1.00 13.36 C ATOM 2159 O LEU A 163 37.482 7.689 60.127 1.00 13.98 O ATOM 2160 CB LEU A 163 40.512 8.726 60.908 1.00 15.59 C ATOM 2161 CG LEU A 163 41.972 8.804 60.422 1.00 16.53 C ATOM 2162 CD1 LEU A 163 42.591 10.123 60.846 1.00 20.42 C ATOM 2163 CD2 LEU A 163 42.793 7.714 61.101 1.00 20.64 C ATOM 0 H LEU A 163 39.810 8.056 58.545 1.00 12.87 H new ATOM 0 HA LEU A 163 40.292 6.643 60.816 1.00 13.69 H new ATOM 0 HB2 LEU A 163 40.016 9.489 60.572 1.00 15.59 H new ATOM 0 HB3 LEU A 163 40.488 8.777 61.876 1.00 15.59 H new ATOM 0 HG LEU A 163 41.973 8.708 59.457 1.00 16.53 H new ATOM 0 HD11 LEU A 163 43.509 10.164 60.536 1.00 20.42 H new ATOM 0 HD12 LEU A 163 42.087 10.856 60.460 1.00 20.42 H new ATOM 0 HD13 LEU A 163 42.573 10.193 61.813 1.00 20.42 H new ATOM 0 HD21 LEU A 163 43.712 7.763 60.795 1.00 20.64 H new ATOM 0 HD22 LEU A 163 42.766 7.839 62.062 1.00 20.64 H new ATOM 0 HD23 LEU A 163 42.424 6.845 60.878 1.00 20.64 H new ATOM 2175 N SER A 164 38.171 7.090 62.134 1.00 15.05 N ATOM 2176 CA SER A 164 36.818 7.070 62.695 1.00 18.42 C ATOM 2177 C SER A 164 36.376 8.534 62.732 1.00 18.63 C ATOM 2178 O SER A 164 37.175 9.458 62.804 1.00 14.42 O ATOM 2179 CB SER A 164 36.852 6.517 64.133 1.00 20.31 C ATOM 2180 OG SER A 164 37.730 7.355 64.913 1.00 21.95 O ATOM 0 H SER A 164 38.794 6.882 62.689 1.00 15.05 H new ATOM 0 HA SER A 164 36.220 6.513 62.172 1.00 18.42 H new ATOM 0 HB2 SER A 164 35.961 6.512 64.515 1.00 20.31 H new ATOM 0 HB3 SER A 164 37.168 5.600 64.136 1.00 20.31 H new ATOM 0 HG SER A 164 37.306 7.677 65.563 1.00 21.95 H new ATOM 2186 N ASP A 165 35.099 8.735 62.682 1.00 20.64 N ATOM 2187 CA ASP A 165 34.592 10.128 62.724 1.00 23.15 C ATOM 2188 C ASP A 165 34.988 10.759 64.020 1.00 20.70 C ATOM 2189 O ASP A 165 35.269 11.939 64.045 1.00 20.85 O ATOM 2190 CB ASP A 165 33.055 10.101 62.531 1.00 27.80 C ATOM 2191 CG ASP A 165 32.919 9.882 61.018 1.00 36.14 C ATOM 2192 OD1 ASP A 165 33.136 10.860 60.316 1.00 42.99 O ATOM 2193 OD2 ASP A 165 32.636 8.763 60.628 1.00 41.97 O ATOM 0 H ASP A 165 34.500 8.121 62.625 1.00 20.64 H new ATOM 0 HA ASP A 165 34.977 10.662 62.011 1.00 23.15 H new ATOM 0 HB2 ASP A 165 32.639 9.387 63.039 1.00 27.80 H new ATOM 0 HB3 ASP A 165 32.640 10.930 62.815 1.00 27.80 H new ATOM 2198 N SER A 166 35.024 9.988 65.062 1.00 19.77 N ATOM 2199 CA SER A 166 35.405 10.568 66.371 1.00 21.43 C ATOM 2200 C SER A 166 36.772 11.262 66.329 1.00 18.72 C ATOM 2201 O SER A 166 36.890 12.375 66.799 1.00 19.02 O ATOM 2202 CB SER A 166 35.375 9.402 67.451 1.00 21.34 C ATOM 2203 OG SER A 166 36.486 8.551 67.181 0.27 21.80 O ATOM 0 H SER A 166 34.842 9.147 65.065 1.00 19.77 H new ATOM 0 HA SER A 166 34.770 11.262 66.610 1.00 21.43 H new ATOM 0 HB2 SER A 166 35.432 9.765 68.349 1.00 21.34 H new ATOM 0 HB3 SER A 166 34.543 8.907 67.397 1.00 21.34 H new ATOM 0 HG SER A 166 36.499 7.922 67.738 0.27 21.80 H new ATOM 2209 N SER A 167 37.771 10.628 65.770 1.00 18.84 N ATOM 2210 CA SER A 167 39.130 11.261 65.712 1.00 19.80 C ATOM 2211 C SER A 167 39.207 12.424 64.689 1.00 16.67 C ATOM 2212 O SER A 167 40.030 13.319 64.800 1.00 18.60 O ATOM 2213 CB SER A 167 40.110 10.106 65.397 1.00 24.40 C ATOM 2214 OG SER A 167 39.450 9.379 64.379 1.00 32.70 O ATOM 0 H SER A 167 37.718 9.846 65.417 1.00 18.84 H new ATOM 0 HA SER A 167 39.357 11.688 66.553 1.00 19.80 H new ATOM 0 HB2 SER A 167 40.970 10.440 65.097 1.00 24.40 H new ATOM 0 HB3 SER A 167 40.276 9.556 66.178 1.00 24.40 H new ATOM 0 HG SER A 167 39.081 8.702 64.712 1.00 32.70 H new ATOM 2220 N CYS A 168 38.343 12.377 63.709 1.00 13.99 N ATOM 2221 CA CYS A 168 38.300 13.424 62.667 1.00 14.28 C ATOM 2222 C CYS A 168 37.663 14.661 63.291 1.00 13.52 C ATOM 2223 O CYS A 168 38.153 15.768 63.174 1.00 13.35 O ATOM 2224 CB CYS A 168 37.476 12.857 61.516 1.00 14.48 C ATOM 2225 SG CYS A 168 37.244 13.890 60.058 1.00 16.08 S ATOM 0 H CYS A 168 37.761 11.752 63.610 1.00 13.99 H new ATOM 0 HA CYS A 168 39.173 13.677 62.329 1.00 14.28 H new ATOM 0 HB2 CYS A 168 37.893 12.029 61.231 1.00 14.48 H new ATOM 0 HB3 CYS A 168 36.599 12.629 61.862 1.00 14.48 H new ATOM 2230 N LYS A 169 36.570 14.439 63.970 1.00 16.00 N ATOM 2231 CA LYS A 169 35.844 15.554 64.631 1.00 13.64 C ATOM 2232 C LYS A 169 36.615 16.099 65.845 1.00 14.95 C ATOM 2233 O LYS A 169 36.461 17.266 66.179 1.00 15.41 O ATOM 2234 CB LYS A 169 34.465 15.054 65.063 1.00 13.16 C ATOM 2235 CG LYS A 169 33.591 14.890 63.770 1.00 12.83 C ATOM 2236 CD LYS A 169 32.297 14.185 64.129 1.00 14.02 C ATOM 2237 CE LYS A 169 31.332 14.135 62.957 1.00 15.27 C ATOM 2238 NZ LYS A 169 30.251 13.193 63.326 1.00 17.54 N ATOM 0 H LYS A 169 36.213 13.664 64.075 1.00 16.00 H new ATOM 0 HA LYS A 169 35.755 16.284 63.998 1.00 13.64 H new ATOM 0 HB2 LYS A 169 34.541 14.208 65.532 1.00 13.16 H new ATOM 0 HB3 LYS A 169 34.052 15.682 65.676 1.00 13.16 H new ATOM 0 HG2 LYS A 169 33.402 15.759 63.382 1.00 12.83 H new ATOM 0 HG3 LYS A 169 34.075 14.380 63.102 1.00 12.83 H new ATOM 0 HD2 LYS A 169 32.493 13.282 64.424 1.00 14.02 H new ATOM 0 HD3 LYS A 169 31.876 14.642 64.874 1.00 14.02 H new ATOM 0 HE2 LYS A 169 30.971 15.016 62.772 1.00 15.27 H new ATOM 0 HE3 LYS A 169 31.785 13.839 62.152 1.00 15.27 H new ATOM 0 HZ1 LYS A 169 29.664 13.138 62.659 1.00 17.54 H new ATOM 0 HZ2 LYS A 169 30.598 12.388 63.482 1.00 17.54 H new ATOM 0 HZ3 LYS A 169 29.840 13.485 64.059 1.00 17.54 H new ATOM 2252 N SER A 170 37.411 15.309 66.503 1.00 14.29 N ATOM 2253 CA SER A 170 38.141 15.919 67.666 1.00 15.17 C ATOM 2254 C SER A 170 39.260 16.865 67.152 1.00 17.54 C ATOM 2255 O SER A 170 39.612 17.833 67.797 1.00 15.81 O ATOM 2256 CB SER A 170 38.754 14.777 68.535 1.00 18.18 C ATOM 2257 OG SER A 170 37.658 13.942 68.932 1.00 20.36 O ATOM 0 H SER A 170 37.561 14.478 66.341 1.00 14.29 H new ATOM 0 HA SER A 170 37.524 16.439 68.205 1.00 15.17 H new ATOM 0 HB2 SER A 170 39.409 14.271 68.029 1.00 18.18 H new ATOM 0 HB3 SER A 170 39.212 15.139 69.310 1.00 18.18 H new ATOM 0 HG SER A 170 37.447 13.435 68.296 1.00 20.36 H new ATOM 2263 N ALA A 171 39.778 16.549 66.000 1.00 17.48 N ATOM 2264 CA ALA A 171 40.859 17.347 65.380 1.00 16.31 C ATOM 2265 C ALA A 171 40.302 18.630 64.806 1.00 15.96 C ATOM 2266 O ALA A 171 41.002 19.615 64.774 1.00 18.52 O ATOM 2267 CB ALA A 171 41.505 16.528 64.273 1.00 18.44 C ATOM 0 H ALA A 171 39.530 15.870 65.535 1.00 17.48 H new ATOM 0 HA ALA A 171 41.519 17.571 66.054 1.00 16.31 H new ATOM 0 HB1 ALA A 171 42.215 17.044 63.861 1.00 18.44 H new ATOM 0 HB2 ALA A 171 41.874 15.712 64.647 1.00 18.44 H new ATOM 0 HB3 ALA A 171 40.839 16.305 63.605 1.00 18.44 H new ATOM 2273 N TYR A 172 39.084 18.616 64.347 1.00 14.15 N ATOM 2274 CA TYR A 172 38.465 19.840 63.764 1.00 12.75 C ATOM 2275 C TYR A 172 37.051 20.138 64.377 1.00 16.06 C ATOM 2276 O TYR A 172 36.053 19.972 63.701 1.00 13.22 O ATOM 2277 CB TYR A 172 38.331 19.638 62.279 1.00 12.54 C ATOM 2278 CG TYR A 172 39.691 19.401 61.594 1.00 13.32 C ATOM 2279 CD1 TYR A 172 40.029 18.173 61.070 1.00 11.39 C ATOM 2280 CD2 TYR A 172 40.585 20.444 61.471 1.00 13.92 C ATOM 2281 CE1 TYR A 172 41.226 17.993 60.425 1.00 13.48 C ATOM 2282 CE2 TYR A 172 41.781 20.272 60.828 1.00 15.85 C ATOM 2283 CZ TYR A 172 42.115 19.038 60.297 1.00 15.14 C ATOM 2284 OH TYR A 172 43.291 18.843 59.618 1.00 15.31 O ATOM 0 H TYR A 172 38.574 17.923 64.350 1.00 14.15 H new ATOM 0 HA TYR A 172 39.034 20.599 63.967 1.00 12.75 H new ATOM 0 HB2 TYR A 172 37.750 18.880 62.109 1.00 12.54 H new ATOM 0 HB3 TYR A 172 37.905 20.416 61.886 1.00 12.54 H new ATOM 0 HD1 TYR A 172 39.440 17.459 61.154 1.00 11.39 H new ATOM 0 HD2 TYR A 172 40.372 21.275 61.830 1.00 13.92 H new ATOM 0 HE1 TYR A 172 41.439 17.160 60.071 1.00 13.48 H new ATOM 0 HE2 TYR A 172 42.371 20.986 60.748 1.00 15.85 H new ATOM 0 HH TYR A 172 43.273 18.096 59.235 1.00 15.31 H new ATOM 2294 N PRO A 173 36.950 20.550 65.626 1.00 18.87 N ATOM 2295 CA PRO A 173 35.643 20.811 66.291 1.00 16.65 C ATOM 2296 C PRO A 173 34.747 21.801 65.549 1.00 14.19 C ATOM 2297 O PRO A 173 35.154 22.894 65.212 1.00 16.04 O ATOM 2298 CB PRO A 173 36.019 21.306 67.712 1.00 16.82 C ATOM 2299 CG PRO A 173 37.373 20.645 67.952 1.00 19.70 C ATOM 2300 CD PRO A 173 38.087 20.792 66.584 1.00 20.19 C ATOM 0 HA PRO A 173 35.101 20.007 66.307 1.00 16.65 H new ATOM 0 HB2 PRO A 173 36.078 22.273 67.752 1.00 16.82 H new ATOM 0 HB3 PRO A 173 35.363 21.034 68.373 1.00 16.82 H new ATOM 0 HG2 PRO A 173 37.866 21.085 68.662 1.00 19.70 H new ATOM 0 HG3 PRO A 173 37.277 19.714 68.208 1.00 19.70 H new ATOM 0 HD2 PRO A 173 38.480 21.671 66.470 1.00 20.19 H new ATOM 0 HD3 PRO A 173 38.802 20.145 66.474 1.00 20.19 H new ATOM 2308 N GLY A 174 33.551 21.381 65.324 1.00 15.63 N ATOM 2309 CA GLY A 174 32.522 22.202 64.621 1.00 15.12 C ATOM 2310 C GLY A 174 32.762 22.403 63.152 1.00 13.17 C ATOM 2311 O GLY A 174 32.050 23.162 62.514 1.00 16.44 O ATOM 0 H GLY A 174 33.271 20.604 65.564 1.00 15.63 H new ATOM 0 HA2 GLY A 174 31.656 21.780 64.738 1.00 15.12 H new ATOM 0 HA3 GLY A 174 32.474 23.071 65.049 1.00 15.12 H new ATOM 2315 N GLN A 175 33.741 21.716 62.631 1.00 13.38 N ATOM 2316 CA GLN A 175 34.063 21.852 61.183 1.00 12.65 C ATOM 2317 C GLN A 175 33.766 20.644 60.305 1.00 15.33 C ATOM 2318 O GLN A 175 33.750 20.830 59.104 1.00 15.61 O ATOM 2319 CB GLN A 175 35.549 22.169 60.990 1.00 16.70 C ATOM 2320 CG GLN A 175 35.996 23.476 61.720 1.00 19.97 C ATOM 2321 CD GLN A 175 37.479 23.685 61.329 1.00 22.75 C ATOM 2322 OE1 GLN A 175 38.356 23.060 61.883 1.00 27.74 O ATOM 2323 NE2 GLN A 175 37.834 24.513 60.394 1.00 26.65 N ATOM 0 H GLN A 175 34.240 21.167 63.066 1.00 13.38 H new ATOM 0 HA GLN A 175 33.473 22.567 60.899 1.00 12.65 H new ATOM 0 HB2 GLN A 175 36.078 21.425 61.317 1.00 16.70 H new ATOM 0 HB3 GLN A 175 35.736 22.254 60.042 1.00 16.70 H new ATOM 0 HG2 GLN A 175 35.453 24.232 61.446 1.00 19.97 H new ATOM 0 HG3 GLN A 175 35.897 23.390 62.681 1.00 19.97 H new ATOM 0 HE21 GLN A 175 37.238 24.974 59.979 1.00 26.65 H new ATOM 0 HE22 GLN A 175 38.665 24.601 60.190 1.00 26.65 H new ATOM 2332 N ILE A 176 33.534 19.488 60.853 1.00 14.02 N ATOM 2333 CA ILE A 176 33.258 18.291 59.969 1.00 11.21 C ATOM 2334 C ILE A 176 31.751 18.021 59.781 1.00 15.86 C ATOM 2335 O ILE A 176 30.994 17.949 60.734 1.00 14.59 O ATOM 2336 CB ILE A 176 33.971 17.076 60.617 1.00 10.63 C ATOM 2337 CG1 ILE A 176 35.464 17.387 60.895 1.00 10.72 C ATOM 2338 CG2 ILE A 176 33.857 15.817 59.730 1.00 11.02 C ATOM 2339 CD1 ILE A 176 36.262 17.680 59.597 1.00 8.37 C ATOM 0 H ILE A 176 33.522 19.334 61.699 1.00 14.02 H new ATOM 0 HA ILE A 176 33.598 18.461 59.076 1.00 11.21 H new ATOM 0 HB ILE A 176 33.525 16.901 61.461 1.00 10.63 H new ATOM 0 HG12 ILE A 176 35.527 18.151 61.489 1.00 10.72 H new ATOM 0 HG13 ILE A 176 35.867 16.635 61.356 1.00 10.72 H new ATOM 0 HG21 ILE A 176 34.311 15.076 60.160 1.00 11.02 H new ATOM 0 HG22 ILE A 176 32.922 15.593 59.604 1.00 11.02 H new ATOM 0 HG23 ILE A 176 34.267 15.990 58.868 1.00 11.02 H new ATOM 0 HD11 ILE A 176 37.187 17.868 59.821 1.00 8.37 H new ATOM 0 HD12 ILE A 176 36.222 16.908 59.011 1.00 8.37 H new ATOM 0 HD13 ILE A 176 35.876 18.447 59.146 1.00 8.37 H new ATOM 2351 N THR A 177 31.324 17.874 58.556 1.00 14.06 N ATOM 2352 CA THR A 177 29.887 17.603 58.291 1.00 14.36 C ATOM 2353 C THR A 177 29.785 16.149 57.867 1.00 14.76 C ATOM 2354 O THR A 177 30.788 15.444 57.812 1.00 11.62 O ATOM 2355 CB THR A 177 29.374 18.500 57.157 1.00 13.16 C ATOM 2356 OG1 THR A 177 30.119 18.156 55.984 1.00 11.96 O ATOM 2357 CG2 THR A 177 29.698 19.945 57.478 1.00 14.28 C ATOM 0 H THR A 177 31.821 17.922 57.856 1.00 14.06 H new ATOM 0 HA THR A 177 29.355 17.783 59.082 1.00 14.36 H new ATOM 0 HB THR A 177 28.418 18.385 57.039 1.00 13.16 H new ATOM 0 HG1 THR A 177 29.830 18.596 55.329 1.00 11.96 H new ATOM 0 HG21 THR A 177 29.375 20.516 56.763 1.00 14.28 H new ATOM 0 HG22 THR A 177 29.268 20.196 58.311 1.00 14.28 H new ATOM 0 HG23 THR A 177 30.658 20.050 57.566 1.00 14.28 H new ATOM 2365 N SER A 178 28.577 15.724 57.581 1.00 11.48 N ATOM 2366 CA SER A 178 28.386 14.334 57.152 1.00 11.46 C ATOM 2367 C SER A 178 28.933 14.127 55.753 1.00 9.89 C ATOM 2368 O SER A 178 28.976 13.007 55.302 1.00 13.60 O ATOM 2369 CB SER A 178 26.884 14.025 57.196 1.00 16.57 C ATOM 2370 OG SER A 178 26.234 15.134 56.572 1.00 20.07 O ATOM 0 H SER A 178 27.862 16.200 57.623 1.00 11.48 H new ATOM 0 HA SER A 178 28.866 13.734 57.744 1.00 11.46 H new ATOM 0 HB2 SER A 178 26.686 13.199 56.728 1.00 16.57 H new ATOM 0 HB3 SER A 178 26.579 13.914 58.110 1.00 16.57 H new ATOM 0 HG SER A 178 25.403 15.008 56.571 1.00 20.07 H new ATOM 2376 N ASN A 179 29.358 15.169 55.089 1.00 8.96 N ATOM 2377 CA ASN A 179 29.900 15.024 53.711 1.00 9.49 C ATOM 2378 C ASN A 179 31.395 15.032 53.670 1.00 10.29 C ATOM 2379 O ASN A 179 31.963 15.272 52.622 1.00 11.77 O ATOM 2380 CB ASN A 179 29.445 16.151 52.871 1.00 10.65 C ATOM 2381 CG ASN A 179 27.940 16.143 52.809 1.00 16.04 C ATOM 2382 OD1 ASN A 179 27.292 15.124 52.633 1.00 15.93 O ATOM 2383 ND2 ASN A 179 27.320 17.277 52.951 1.00 19.31 N ATOM 0 H ASN A 179 29.353 15.974 55.392 1.00 8.96 H new ATOM 0 HA ASN A 179 29.577 14.169 53.385 1.00 9.49 H new ATOM 0 HB2 ASN A 179 29.760 16.991 53.239 1.00 10.65 H new ATOM 0 HB3 ASN A 179 29.817 16.075 51.978 1.00 10.65 H new ATOM 0 HD21 ASN A 179 26.461 17.304 52.921 1.00 19.31 H new ATOM 0 HD22 ASN A 179 27.769 18.000 53.075 1.00 19.31 H new ATOM 2390 N MET A 180 32.014 14.769 54.785 1.00 9.79 N ATOM 2391 CA MET A 180 33.481 14.747 54.898 1.00 10.25 C ATOM 2392 C MET A 180 33.952 13.584 55.766 1.00 10.78 C ATOM 2393 O MET A 180 33.194 13.112 56.595 1.00 13.67 O ATOM 2394 CB MET A 180 33.992 15.979 55.610 1.00 9.31 C ATOM 2395 CG MET A 180 33.545 17.317 55.023 1.00 9.08 C ATOM 2396 SD MET A 180 34.009 18.734 56.047 1.00 10.73 S ATOM 2397 CE MET A 180 33.100 20.044 55.221 1.00 12.77 C ATOM 0 H MET A 180 31.606 14.593 55.521 1.00 9.79 H new ATOM 0 HA MET A 180 33.812 14.683 53.988 1.00 10.25 H new ATOM 0 HB2 MET A 180 33.706 15.939 56.536 1.00 9.31 H new ATOM 0 HB3 MET A 180 34.962 15.953 55.611 1.00 9.31 H new ATOM 0 HG2 MET A 180 33.933 17.422 54.140 1.00 9.08 H new ATOM 0 HG3 MET A 180 32.582 17.308 54.910 1.00 9.08 H new ATOM 0 HE1 MET A 180 33.260 20.886 55.676 1.00 12.77 H new ATOM 0 HE2 MET A 180 33.397 20.113 54.300 1.00 12.77 H new ATOM 0 HE3 MET A 180 32.152 19.842 55.240 1.00 12.77 H new ATOM 2407 N PHE A 181 35.171 13.178 55.554 1.00 12.54 N ATOM 2408 CA PHE A 181 35.797 12.088 56.347 1.00 10.97 C ATOM 2409 C PHE A 181 37.298 12.456 56.344 1.00 9.49 C ATOM 2410 O PHE A 181 37.784 13.187 55.498 1.00 7.96 O ATOM 2411 CB PHE A 181 35.549 10.651 55.708 1.00 10.07 C ATOM 2412 CG PHE A 181 36.230 10.350 54.387 1.00 8.16 C ATOM 2413 CD1 PHE A 181 37.523 9.848 54.390 1.00 9.27 C ATOM 2414 CD2 PHE A 181 35.574 10.539 53.176 1.00 10.73 C ATOM 2415 CE1 PHE A 181 38.141 9.548 53.190 1.00 10.21 C ATOM 2416 CE2 PHE A 181 36.194 10.233 51.981 1.00 10.94 C ATOM 2417 CZ PHE A 181 37.480 9.739 51.992 1.00 9.84 C ATOM 0 H PHE A 181 35.684 13.511 54.949 1.00 12.54 H new ATOM 0 HA PHE A 181 35.422 12.022 57.239 1.00 10.97 H new ATOM 0 HB2 PHE A 181 35.834 9.983 56.351 1.00 10.07 H new ATOM 0 HB3 PHE A 181 34.593 10.538 55.586 1.00 10.07 H new ATOM 0 HD1 PHE A 181 37.971 9.714 55.194 1.00 9.27 H new ATOM 0 HD2 PHE A 181 34.707 10.876 53.171 1.00 10.73 H new ATOM 0 HE1 PHE A 181 39.009 9.215 53.189 1.00 10.21 H new ATOM 0 HE2 PHE A 181 35.747 10.359 51.175 1.00 10.94 H new ATOM 0 HZ PHE A 181 37.904 9.533 51.190 1.00 9.84 H new ATOM 2427 N CYS A 182 37.992 11.926 57.288 1.00 8.76 N ATOM 2428 CA CYS A 182 39.432 12.163 57.448 1.00 11.05 C ATOM 2429 C CYS A 182 40.168 10.891 57.183 1.00 11.25 C ATOM 2430 O CYS A 182 39.669 9.804 57.377 1.00 10.70 O ATOM 2431 CB CYS A 182 39.744 12.624 58.901 1.00 14.52 C ATOM 2432 SG CYS A 182 39.152 14.226 59.533 1.00 13.23 S ATOM 0 H CYS A 182 37.658 11.402 57.882 1.00 8.76 H new ATOM 0 HA CYS A 182 39.709 12.853 56.825 1.00 11.05 H new ATOM 0 HB2 CYS A 182 39.397 11.940 59.495 1.00 14.52 H new ATOM 0 HB3 CYS A 182 40.709 12.621 58.997 1.00 14.52 H new ATOM 2437 N ALA A 183 41.364 11.042 56.744 1.00 12.95 N ATOM 2438 CA ALA A 183 42.197 9.846 56.450 1.00 15.90 C ATOM 2439 C ALA A 183 43.618 10.317 56.695 1.00 21.91 C ATOM 2440 O ALA A 183 43.945 11.481 56.531 1.00 21.94 O ATOM 2441 CB ALA A 183 42.089 9.401 54.990 1.00 14.49 C ATOM 0 H ALA A 183 41.743 11.800 56.598 1.00 12.95 H new ATOM 0 HA ALA A 183 41.917 9.093 56.994 1.00 15.90 H new ATOM 0 HB1 ALA A 183 42.647 8.621 54.847 1.00 14.49 H new ATOM 0 HB2 ALA A 183 41.167 9.180 54.786 1.00 14.49 H new ATOM 0 HB3 ALA A 183 42.384 10.120 54.410 1.00 14.49 H new ATOM 2447 N GLY A 184A 44.452 9.413 57.058 1.00 27.38 N ATOM 2448 CA GLY A 184A 45.846 9.793 57.313 1.00 31.28 C ATOM 2449 C GLY A 184A 46.294 9.099 58.584 1.00 36.06 C ATOM 2450 O GLY A 184A 45.797 8.051 58.975 1.00 36.02 O ATOM 0 H GLY A 184A 44.266 8.581 57.169 1.00 27.38 H new ATOM 0 HA2 GLY A 184A 46.410 9.534 56.568 1.00 31.28 H new ATOM 0 HA3 GLY A 184A 45.924 10.755 57.406 1.00 31.28 H new ATOM 2454 N TYR A 184 47.246 9.747 59.177 1.00 43.01 N ATOM 2455 CA TYR A 184 47.866 9.280 60.425 1.00 43.80 C ATOM 2456 C TYR A 184 47.810 10.478 61.370 1.00 46.55 C ATOM 2457 O TYR A 184 48.118 11.588 60.963 1.00 46.85 O ATOM 2458 CB TYR A 184 49.304 8.889 60.094 1.00 44.47 C ATOM 2459 CG TYR A 184 49.317 7.780 59.049 1.00 44.64 C ATOM 2460 CD1 TYR A 184 49.233 8.073 57.699 1.00 45.15 C ATOM 2461 CD2 TYR A 184 49.406 6.469 59.453 1.00 43.51 C ATOM 2462 CE1 TYR A 184 49.238 7.061 56.757 1.00 45.77 C ATOM 2463 CE2 TYR A 184 49.411 5.458 58.524 1.00 44.13 C ATOM 2464 CZ TYR A 184 49.330 5.741 57.168 1.00 45.13 C ATOM 2465 OH TYR A 184 49.346 4.712 56.245 1.00 41.82 O ATOM 0 H TYR A 184 47.573 10.485 58.880 1.00 43.01 H new ATOM 0 HA TYR A 184 47.429 8.514 60.829 1.00 43.80 H new ATOM 0 HB2 TYR A 184 49.789 9.661 59.763 1.00 44.47 H new ATOM 0 HB3 TYR A 184 49.759 8.592 60.897 1.00 44.47 H new ATOM 0 HD1 TYR A 184 49.173 8.959 57.423 1.00 45.15 H new ATOM 0 HD2 TYR A 184 49.463 6.266 60.359 1.00 43.51 H new ATOM 0 HE1 TYR A 184 49.180 7.265 55.852 1.00 45.77 H new ATOM 0 HE2 TYR A 184 49.469 4.574 58.807 1.00 44.13 H new ATOM 0 HH TYR A 184 49.193 5.020 55.479 1.00 41.82 H new ATOM 2475 N LEU A 185 47.437 10.221 62.595 1.00 49.63 N ATOM 2476 CA LEU A 185 47.358 11.324 63.606 1.00 51.06 C ATOM 2477 C LEU A 185 48.798 11.657 64.046 1.00 52.60 C ATOM 2478 O LEU A 185 49.096 12.784 64.386 1.00 49.18 O ATOM 2479 CB LEU A 185 46.501 10.854 64.815 1.00 50.27 C ATOM 2480 CG LEU A 185 45.012 10.666 64.376 1.00 49.35 C ATOM 2481 CD1 LEU A 185 44.212 10.349 65.647 1.00 48.99 C ATOM 2482 CD2 LEU A 185 44.434 11.971 63.744 1.00 47.87 C ATOM 0 H LEU A 185 47.223 9.441 62.888 1.00 49.63 H new ATOM 0 HA LEU A 185 46.939 12.115 63.233 1.00 51.06 H new ATOM 0 HB2 LEU A 185 46.851 10.019 65.164 1.00 50.27 H new ATOM 0 HB3 LEU A 185 46.555 11.505 65.532 1.00 50.27 H new ATOM 0 HG LEU A 185 44.955 9.960 63.713 1.00 49.35 H new ATOM 0 HD11 LEU A 185 43.278 10.224 65.419 1.00 48.99 H new ATOM 0 HD12 LEU A 185 44.556 9.538 66.053 1.00 48.99 H new ATOM 0 HD13 LEU A 185 44.296 11.084 66.274 1.00 48.99 H new ATOM 0 HD21 LEU A 185 43.512 11.823 63.483 1.00 47.87 H new ATOM 0 HD22 LEU A 185 44.474 12.691 64.393 1.00 47.87 H new ATOM 0 HD23 LEU A 185 44.956 12.211 62.963 1.00 47.87 H new ATOM 2494 N GLU A 186 49.672 10.676 64.047 1.00 53.13 N ATOM 2495 CA GLU A 186 51.081 10.986 64.451 1.00 52.59 C ATOM 2496 C GLU A 186 51.543 12.155 63.537 1.00 54.25 C ATOM 2497 O GLU A 186 52.290 13.018 63.955 1.00 55.88 O ATOM 2498 CB GLU A 186 52.053 9.743 64.253 1.00 50.04 C ATOM 2499 CG GLU A 186 51.732 8.793 63.062 1.00 48.13 C ATOM 2500 CD GLU A 186 50.669 7.755 63.512 0.21 47.75 C ATOM 2501 OE1 GLU A 186 51.063 6.896 64.285 0.21 47.12 O ATOM 2502 OE2 GLU A 186 49.530 7.853 63.086 0.21 47.43 O ATOM 0 H GLU A 186 49.511 9.858 63.834 1.00 53.13 H new ATOM 0 HA GLU A 186 51.112 11.213 65.394 1.00 52.59 H new ATOM 0 HB2 GLU A 186 52.956 10.079 64.139 1.00 50.04 H new ATOM 0 HB3 GLU A 186 52.046 9.219 65.069 1.00 50.04 H new ATOM 0 HG2 GLU A 186 51.402 9.304 62.306 1.00 48.13 H new ATOM 0 HG3 GLU A 186 52.538 8.340 62.768 1.00 48.13 H new ATOM 2509 N GLY A 187 51.065 12.123 62.319 1.00 55.01 N ATOM 2510 CA GLY A 187 51.413 13.172 61.318 1.00 55.49 C ATOM 2511 C GLY A 187 52.450 12.479 60.452 1.00 56.65 C ATOM 2512 O GLY A 187 52.523 11.257 60.453 1.00 56.68 O ATOM 0 H GLY A 187 50.535 11.513 62.026 1.00 55.01 H new ATOM 0 HA2 GLY A 187 50.639 13.448 60.802 1.00 55.49 H new ATOM 0 HA3 GLY A 187 51.771 13.968 61.741 1.00 55.49 H new ATOM 2516 N GLY A 188A 53.220 13.229 59.718 1.00 56.05 N ATOM 2517 CA GLY A 188A 54.266 12.582 58.863 1.00 56.37 C ATOM 2518 C GLY A 188A 53.810 12.273 57.441 1.00 54.15 C ATOM 2519 O GLY A 188A 54.529 12.486 56.474 1.00 53.45 O ATOM 0 H GLY A 188A 53.184 14.087 59.676 1.00 56.05 H new ATOM 0 HA2 GLY A 188A 55.042 13.163 58.824 1.00 56.37 H new ATOM 0 HA3 GLY A 188A 54.551 11.757 59.287 1.00 56.37 H new ATOM 2523 N LYS A 188 52.621 11.777 57.355 1.00 49.17 N ATOM 2524 CA LYS A 188 52.082 11.429 56.032 1.00 47.58 C ATOM 2525 C LYS A 188 50.796 12.228 55.883 1.00 48.81 C ATOM 2526 O LYS A 188 50.125 12.395 56.891 1.00 48.64 O ATOM 2527 CB LYS A 188 51.864 9.915 56.066 1.00 47.80 C ATOM 2528 CG LYS A 188 53.225 9.136 55.979 1.00 46.88 C ATOM 2529 CD LYS A 188 53.109 7.669 56.565 1.00 44.54 C ATOM 2530 CE LYS A 188 53.769 7.607 57.980 0.48 43.97 C ATOM 2531 NZ LYS A 188 53.073 8.498 58.957 0.48 43.25 N ATOM 0 H LYS A 188 52.098 11.626 58.020 1.00 49.17 H new ATOM 0 HA LYS A 188 52.652 11.638 55.276 1.00 47.58 H new ATOM 0 HB2 LYS A 188 51.402 9.672 56.884 1.00 47.80 H new ATOM 0 HB3 LYS A 188 51.292 9.653 55.328 1.00 47.80 H new ATOM 0 HG2 LYS A 188 53.513 9.092 55.054 1.00 46.88 H new ATOM 0 HG3 LYS A 188 53.908 9.624 56.465 1.00 46.88 H new ATOM 0 HD2 LYS A 188 52.177 7.408 56.623 1.00 44.54 H new ATOM 0 HD3 LYS A 188 53.543 7.039 55.969 1.00 44.54 H new ATOM 0 HE2 LYS A 188 53.751 6.693 58.306 0.48 43.97 H new ATOM 0 HE3 LYS A 188 54.701 7.866 57.914 0.48 43.97 H new ATOM 0 HZ1 LYS A 188 53.416 8.374 59.769 0.48 43.25 H new ATOM 0 HZ2 LYS A 188 53.183 9.347 58.715 0.48 43.25 H new ATOM 0 HZ3 LYS A 188 52.205 8.304 58.970 0.48 43.25 H new ATOM 2545 N ASP A 189 50.492 12.678 54.681 1.00 47.21 N ATOM 2546 CA ASP A 189 49.230 13.484 54.388 1.00 45.34 C ATOM 2547 C ASP A 189 49.238 14.032 52.934 1.00 41.61 C ATOM 2548 O ASP A 189 50.225 13.982 52.205 1.00 38.10 O ATOM 2549 CB ASP A 189 49.114 14.729 55.356 1.00 47.14 C ATOM 2550 CG ASP A 189 47.715 15.393 55.458 1.00 46.92 C ATOM 2551 OD1 ASP A 189 47.690 16.367 56.190 1.00 48.57 O ATOM 2552 OD2 ASP A 189 46.758 14.942 54.851 1.00 44.17 O ATOM 0 H ASP A 189 50.986 12.545 53.990 1.00 47.21 H new ATOM 0 HA ASP A 189 48.482 12.881 54.518 1.00 45.34 H new ATOM 0 HB2 ASP A 189 49.384 14.450 56.245 1.00 47.14 H new ATOM 0 HB3 ASP A 189 49.750 15.401 55.065 1.00 47.14 H new ATOM 2557 N SER A 190 48.115 14.547 52.540 0.85 40.77 N ATOM 2558 CA SER A 190 47.984 15.119 51.213 0.85 43.37 C ATOM 2559 C SER A 190 48.551 16.541 51.512 0.85 45.49 C ATOM 2560 O SER A 190 49.075 16.760 52.597 0.85 46.55 O ATOM 2561 CB ASER A 190 46.452 15.072 50.834 0.48 41.78 C ATOM 2562 CB BSER A 190 46.453 15.071 50.836 0.46 42.76 C ATOM 2563 OG ASER A 190 45.737 15.375 52.031 0.48 39.28 O ATOM 2564 OG BSER A 190 45.741 15.373 52.035 0.46 41.50 O ATOM 0 H SER A 190 47.402 14.582 53.020 0.85 40.77 H new ATOM 0 HA SER A 190 48.431 14.697 50.463 0.85 43.37 H new ATOM 0 HB2ASER A 190 46.248 15.714 50.136 0.48 42.76 H new ATOM 0 HB2BSER A 190 46.247 15.714 50.139 0.46 42.76 H new ATOM 0 HB3ASER A 190 46.206 14.197 50.495 0.48 42.76 H new ATOM 0 HB3BSER A 190 46.206 14.196 50.497 0.46 42.76 H new ATOM 0 HG ASER A 190 45.210 14.746 52.209 0.48 41.50 H new ATOM 0 HG BSER A 190 45.327 14.690 52.295 0.46 41.50 H new ATOM 2573 N CYS A 191 48.492 17.468 50.602 1.00 47.35 N ATOM 2574 CA CYS A 191 49.043 18.815 50.922 1.00 47.19 C ATOM 2575 C CYS A 191 48.574 19.673 49.768 1.00 48.30 C ATOM 2576 O CYS A 191 48.163 19.099 48.763 1.00 48.89 O ATOM 2577 CB CYS A 191 50.592 18.734 50.998 1.00 48.48 C ATOM 2578 SG CYS A 191 51.437 20.156 51.734 1.00 51.55 S ATOM 0 H CYS A 191 48.158 17.376 49.815 1.00 47.35 H new ATOM 0 HA CYS A 191 48.751 19.172 51.775 1.00 47.19 H new ATOM 0 HB2 CYS A 191 50.831 17.942 51.505 1.00 48.48 H new ATOM 0 HB3 CYS A 191 50.934 18.609 50.099 1.00 48.48 H new ATOM 2583 N GLN A 192 48.632 20.979 49.888 1.00 47.79 N ATOM 2584 CA GLN A 192 48.147 21.791 48.726 1.00 48.08 C ATOM 2585 C GLN A 192 48.857 21.407 47.453 1.00 43.86 C ATOM 2586 O GLN A 192 49.980 20.939 47.380 1.00 45.30 O ATOM 2587 CB GLN A 192 48.317 23.363 48.923 1.00 50.24 C ATOM 2588 CG GLN A 192 49.453 23.836 49.884 1.00 51.76 C ATOM 2589 CD GLN A 192 48.732 24.644 50.973 1.00 52.98 C ATOM 2590 OE1 GLN A 192 47.995 24.070 51.746 1.00 54.34 O ATOM 2591 NE2 GLN A 192 48.867 25.929 51.088 1.00 53.89 N ATOM 0 H GLN A 192 48.922 21.416 50.570 1.00 47.79 H new ATOM 0 HA GLN A 192 47.199 21.591 48.669 1.00 48.08 H new ATOM 0 HB2 GLN A 192 48.473 23.761 48.052 1.00 50.24 H new ATOM 0 HB3 GLN A 192 47.476 23.719 49.251 1.00 50.24 H new ATOM 0 HG2 GLN A 192 49.931 23.082 50.263 1.00 51.76 H new ATOM 0 HG3 GLN A 192 50.106 24.379 49.416 1.00 51.76 H new ATOM 0 HE21 GLN A 192 49.385 26.357 50.551 1.00 53.89 H new ATOM 0 HE22 GLN A 192 48.439 26.353 51.702 1.00 53.89 H new ATOM 2600 N GLY A 193 48.082 21.635 46.455 1.00 39.32 N ATOM 2601 CA GLY A 193 48.506 21.341 45.101 1.00 38.69 C ATOM 2602 C GLY A 193 47.546 20.206 44.948 1.00 36.06 C ATOM 2603 O GLY A 193 46.608 20.317 44.191 1.00 35.94 O ATOM 0 H GLY A 193 47.290 21.965 46.521 1.00 39.32 H new ATOM 0 HA2 GLY A 193 48.362 22.068 44.475 1.00 38.69 H new ATOM 0 HA3 GLY A 193 49.438 21.083 45.026 1.00 38.69 H new ATOM 2607 N ASP A 194 47.778 19.138 45.664 1.00 34.95 N ATOM 2608 CA ASP A 194 46.903 17.898 45.622 1.00 35.34 C ATOM 2609 C ASP A 194 45.372 18.050 45.612 1.00 31.40 C ATOM 2610 O ASP A 194 44.734 17.055 45.316 1.00 23.31 O ATOM 2611 CB ASP A 194 47.190 16.959 46.807 1.00 36.84 C ATOM 2612 CG ASP A 194 48.662 16.521 46.842 1.00 38.45 C ATOM 2613 OD1 ASP A 194 49.307 16.843 47.828 1.00 41.53 O ATOM 2614 OD2 ASP A 194 49.054 15.884 45.878 1.00 39.49 O ATOM 0 H ASP A 194 48.443 19.072 46.205 1.00 34.95 H new ATOM 0 HA ASP A 194 47.159 17.561 44.749 1.00 35.34 H new ATOM 0 HB2 ASP A 194 46.966 17.408 47.637 1.00 36.84 H new ATOM 0 HB3 ASP A 194 46.621 16.176 46.745 1.00 36.84 H new ATOM 2619 N SER A 195 44.840 19.212 45.937 1.00 27.10 N ATOM 2620 CA SER A 195 43.326 19.389 45.929 1.00 25.47 C ATOM 2621 C SER A 195 42.630 18.929 44.654 1.00 19.75 C ATOM 2622 O SER A 195 43.136 19.225 43.588 1.00 7.81 O ATOM 2623 CB ASER A 195 42.925 20.825 46.084 0.80 26.64 C ATOM 2624 CB BSER A 195 42.971 20.868 46.127 0.15 27.07 C ATOM 2625 OG ASER A 195 43.257 21.133 47.433 0.80 31.43 O ATOM 2626 OG BSER A 195 43.830 21.550 45.223 0.15 27.62 O ATOM 0 H SER A 195 45.288 19.910 46.163 1.00 27.10 H new ATOM 0 HA SER A 195 43.050 18.835 46.676 1.00 25.47 H new ATOM 0 HB2ASER A 195 43.402 21.396 45.462 0.80 27.07 H new ATOM 0 HB2BSER A 195 42.037 21.039 45.928 0.15 27.07 H new ATOM 0 HB3ASER A 195 41.978 20.949 45.914 0.80 27.07 H new ATOM 0 HB3BSER A 195 43.122 21.150 47.043 0.15 27.07 H new ATOM 0 HG ASER A 195 42.696 21.676 47.743 0.80 27.62 H new ATOM 0 HG BSER A 195 43.410 21.730 44.518 0.15 27.62 H new ATOM 2633 N GLY A 196 41.520 18.244 44.848 1.00 16.70 N ATOM 2634 CA GLY A 196 40.705 17.715 43.707 1.00 16.40 C ATOM 2635 C GLY A 196 41.052 16.275 43.357 1.00 13.05 C ATOM 2636 O GLY A 196 40.317 15.617 42.652 1.00 12.96 O ATOM 0 H GLY A 196 41.200 18.061 45.625 1.00 16.70 H new ATOM 0 HA2 GLY A 196 39.763 17.771 43.933 1.00 16.40 H new ATOM 0 HA3 GLY A 196 40.843 18.276 42.928 1.00 16.40 H new ATOM 2640 N GLY A 197 42.155 15.818 43.871 1.00 10.56 N ATOM 2641 CA GLY A 197 42.590 14.440 43.578 1.00 14.00 C ATOM 2642 C GLY A 197 41.832 13.339 44.290 1.00 13.96 C ATOM 2643 O GLY A 197 41.105 13.613 45.232 1.00 11.52 O ATOM 0 H GLY A 197 42.677 16.264 44.389 1.00 10.56 H new ATOM 0 HA2 GLY A 197 42.517 14.293 42.622 1.00 14.00 H new ATOM 0 HA3 GLY A 197 43.530 14.361 43.806 1.00 14.00 H new ATOM 2647 N PRO A 198 42.032 12.127 43.795 1.00 11.77 N ATOM 2648 CA PRO A 198 41.357 10.934 44.300 1.00 10.69 C ATOM 2649 C PRO A 198 41.884 10.241 45.541 1.00 11.02 C ATOM 2650 O PRO A 198 43.055 10.329 45.853 1.00 10.42 O ATOM 2651 CB PRO A 198 41.382 9.992 43.139 1.00 13.03 C ATOM 2652 CG PRO A 198 42.717 10.291 42.406 1.00 9.21 C ATOM 2653 CD PRO A 198 42.918 11.791 42.630 1.00 9.78 C ATOM 0 HA PRO A 198 40.487 11.219 44.620 1.00 10.69 H new ATOM 0 HB2 PRO A 198 41.343 9.069 43.435 1.00 13.03 H new ATOM 0 HB3 PRO A 198 40.621 10.135 42.555 1.00 13.03 H new ATOM 0 HG2 PRO A 198 43.450 9.773 42.774 1.00 9.21 H new ATOM 0 HG3 PRO A 198 42.663 10.075 41.462 1.00 9.21 H new ATOM 0 HD2 PRO A 198 43.846 11.997 42.823 1.00 9.78 H new ATOM 0 HD3 PRO A 198 42.672 12.301 41.842 1.00 9.78 H new ATOM 2661 N VAL A 199 40.950 9.579 46.159 1.00 12.75 N ATOM 2662 CA VAL A 199 41.163 8.771 47.377 1.00 12.70 C ATOM 2663 C VAL A 199 40.374 7.531 46.908 1.00 14.92 C ATOM 2664 O VAL A 199 39.143 7.569 46.844 1.00 6.77 O ATOM 2665 CB VAL A 199 40.477 9.316 48.613 1.00 11.79 C ATOM 2666 CG1 VAL A 199 40.764 8.353 49.739 1.00 13.54 C ATOM 2667 CG2 VAL A 199 41.051 10.676 48.964 1.00 15.45 C ATOM 0 H VAL A 199 40.133 9.572 45.889 1.00 12.75 H new ATOM 0 HA VAL A 199 42.093 8.685 47.639 1.00 12.70 H new ATOM 0 HB VAL A 199 39.524 9.411 48.462 1.00 11.79 H new ATOM 0 HG11 VAL A 199 40.339 8.669 50.552 1.00 13.54 H new ATOM 0 HG12 VAL A 199 40.415 7.477 49.512 1.00 13.54 H new ATOM 0 HG13 VAL A 199 41.722 8.293 49.878 1.00 13.54 H new ATOM 0 HG21 VAL A 199 40.608 11.020 49.756 1.00 15.45 H new ATOM 0 HG22 VAL A 199 42.002 10.591 49.137 1.00 15.45 H new ATOM 0 HG23 VAL A 199 40.910 11.287 48.224 1.00 15.45 H new ATOM 2677 N VAL A 200 41.086 6.484 46.593 1.00 12.29 N ATOM 2678 CA VAL A 200 40.409 5.247 46.124 1.00 11.25 C ATOM 2679 C VAL A 200 40.627 4.183 47.185 1.00 11.27 C ATOM 2680 O VAL A 200 41.735 4.051 47.666 1.00 8.93 O ATOM 2681 CB VAL A 200 41.051 4.867 44.751 1.00 11.04 C ATOM 2682 CG1 VAL A 200 40.540 3.522 44.228 1.00 11.96 C ATOM 2683 CG2 VAL A 200 40.641 5.908 43.681 1.00 12.14 C ATOM 0 H VAL A 200 41.944 6.441 46.633 1.00 12.29 H new ATOM 0 HA VAL A 200 39.453 5.353 45.996 1.00 11.25 H new ATOM 0 HB VAL A 200 42.009 4.832 44.897 1.00 11.04 H new ATOM 0 HG11 VAL A 200 40.962 3.324 43.377 1.00 11.96 H new ATOM 0 HG12 VAL A 200 40.756 2.824 44.865 1.00 11.96 H new ATOM 0 HG13 VAL A 200 39.578 3.565 44.110 1.00 11.96 H new ATOM 0 HG21 VAL A 200 41.040 5.671 42.829 1.00 12.14 H new ATOM 0 HG22 VAL A 200 39.675 5.919 43.593 1.00 12.14 H new ATOM 0 HG23 VAL A 200 40.951 6.787 43.949 1.00 12.14 H new ATOM 2693 N CYS A 201 39.572 3.481 47.491 1.00 11.78 N ATOM 2694 CA CYS A 201 39.592 2.392 48.512 1.00 14.61 C ATOM 2695 C CYS A 201 38.828 1.240 47.845 1.00 14.61 C ATOM 2696 O CYS A 201 37.757 1.444 47.309 1.00 12.47 O ATOM 2697 CB CYS A 201 38.862 2.868 49.806 1.00 13.93 C ATOM 2698 SG CYS A 201 39.030 4.614 50.267 1.00 16.21 S ATOM 0 H CYS A 201 38.803 3.601 47.126 1.00 11.78 H new ATOM 0 HA CYS A 201 40.488 2.132 48.777 1.00 14.61 H new ATOM 0 HB2 CYS A 201 37.917 2.675 49.705 1.00 13.93 H new ATOM 0 HB3 CYS A 201 39.184 2.330 50.546 1.00 13.93 H new ATOM 2703 N SER A 202 39.375 0.068 47.908 1.00 18.91 N ATOM 2704 CA SER A 202 38.777 -1.156 47.314 1.00 17.16 C ATOM 2705 C SER A 202 38.256 -1.007 45.894 1.00 17.20 C ATOM 2706 O SER A 202 37.220 -1.536 45.523 1.00 20.16 O ATOM 2707 CB SER A 202 37.670 -1.598 48.223 1.00 19.21 C ATOM 2708 OG SER A 202 38.354 -1.789 49.464 1.00 23.50 O ATOM 0 H SER A 202 40.126 -0.076 48.302 1.00 18.91 H new ATOM 0 HA SER A 202 39.488 -1.812 47.239 1.00 17.16 H new ATOM 0 HB2 SER A 202 36.971 -0.929 48.294 1.00 19.21 H new ATOM 0 HB3 SER A 202 37.250 -2.415 47.911 1.00 19.21 H new ATOM 0 HG SER A 202 37.807 -2.041 50.050 1.00 23.50 H new ATOM 2714 N GLY A 203 39.010 -0.257 45.137 1.00 14.89 N ATOM 2715 CA GLY A 203 38.645 -0.043 43.712 1.00 15.39 C ATOM 2716 C GLY A 203 37.561 0.979 43.458 1.00 15.70 C ATOM 2717 O GLY A 203 37.114 1.030 42.323 1.00 16.57 O ATOM 0 H GLY A 203 39.727 0.141 45.396 1.00 14.89 H new ATOM 0 HA2 GLY A 203 39.441 0.228 43.229 1.00 15.39 H new ATOM 0 HA3 GLY A 203 38.361 -0.891 43.337 1.00 15.39 H new ATOM 2721 N LYS A 204 37.175 1.741 44.462 1.00 14.78 N ATOM 2722 CA LYS A 204 36.095 2.749 44.225 1.00 14.08 C ATOM 2723 C LYS A 204 36.603 4.121 44.653 1.00 13.22 C ATOM 2724 O LYS A 204 37.395 4.242 45.582 1.00 7.96 O ATOM 2725 CB LYS A 204 34.857 2.479 45.080 1.00 19.96 C ATOM 2726 CG LYS A 204 34.395 1.018 45.071 1.00 24.61 C ATOM 2727 CD LYS A 204 33.730 0.647 43.750 1.00 28.65 C ATOM 2728 CE LYS A 204 33.449 -0.881 43.787 1.00 33.90 C ATOM 2729 NZ LYS A 204 32.543 -1.265 42.672 1.00 36.62 N ATOM 0 H LYS A 204 37.493 1.713 45.261 1.00 14.78 H new ATOM 0 HA LYS A 204 35.864 2.702 43.284 1.00 14.08 H new ATOM 0 HB2 LYS A 204 35.044 2.743 45.994 1.00 19.96 H new ATOM 0 HB3 LYS A 204 34.130 3.040 44.766 1.00 19.96 H new ATOM 0 HG2 LYS A 204 35.156 0.436 45.225 1.00 24.61 H new ATOM 0 HG3 LYS A 204 33.772 0.870 45.800 1.00 24.61 H new ATOM 0 HD2 LYS A 204 32.905 1.144 43.631 1.00 28.65 H new ATOM 0 HD3 LYS A 204 34.306 0.871 43.002 1.00 28.65 H new ATOM 0 HE2 LYS A 204 34.283 -1.372 43.718 1.00 33.90 H new ATOM 0 HE3 LYS A 204 33.047 -1.122 44.636 1.00 33.90 H new ATOM 0 HZ1 LYS A 204 32.389 -2.141 42.703 1.00 36.62 H new ATOM 0 HZ2 LYS A 204 31.773 -0.826 42.750 1.00 36.62 H new ATOM 0 HZ3 LYS A 204 32.924 -1.058 41.895 1.00 36.62 H new ATOM 2743 N LEU A 209 36.100 5.099 43.964 1.00 10.51 N ATOM 2744 CA LEU A 209 36.497 6.491 44.271 1.00 13.89 C ATOM 2745 C LEU A 209 35.662 6.827 45.518 1.00 10.67 C ATOM 2746 O LEU A 209 34.459 6.956 45.410 1.00 14.06 O ATOM 2747 CB LEU A 209 36.115 7.435 43.093 1.00 13.14 C ATOM 2748 CG LEU A 209 36.462 8.913 43.432 1.00 11.87 C ATOM 2749 CD1 LEU A 209 38.006 9.124 43.538 1.00 11.95 C ATOM 2750 CD2 LEU A 209 35.867 9.778 42.335 1.00 12.28 C ATOM 0 H LEU A 209 35.536 5.010 43.321 1.00 10.51 H new ATOM 0 HA LEU A 209 37.451 6.596 44.409 1.00 13.89 H new ATOM 0 HB2 LEU A 209 36.587 7.164 42.290 1.00 13.14 H new ATOM 0 HB3 LEU A 209 35.167 7.356 42.905 1.00 13.14 H new ATOM 0 HG LEU A 209 36.092 9.156 44.295 1.00 11.87 H new ATOM 0 HD11 LEU A 209 38.192 10.052 43.750 1.00 11.95 H new ATOM 0 HD12 LEU A 209 38.363 8.555 44.238 1.00 11.95 H new ATOM 0 HD13 LEU A 209 38.423 8.896 42.692 1.00 11.95 H new ATOM 0 HD21 LEU A 209 36.065 10.710 42.515 1.00 12.28 H new ATOM 0 HD22 LEU A 209 36.250 9.526 41.480 1.00 12.28 H new ATOM 0 HD23 LEU A 209 34.906 9.651 42.308 1.00 12.28 H new ATOM 2762 N GLN A 210 36.281 6.952 46.657 1.00 10.67 N ATOM 2763 CA GLN A 210 35.514 7.274 47.892 1.00 11.95 C ATOM 2764 C GLN A 210 35.757 8.708 48.317 1.00 7.04 C ATOM 2765 O GLN A 210 34.937 9.228 49.045 1.00 7.08 O ATOM 2766 CB GLN A 210 35.927 6.339 49.037 1.00 12.28 C ATOM 2767 CG GLN A 210 35.519 4.892 48.732 1.00 14.32 C ATOM 2768 CD GLN A 210 34.067 4.558 49.031 1.00 14.20 C ATOM 2769 OE1 GLN A 210 33.204 5.457 49.284 1.00 16.24 O flip ATOM 2770 NE2 GLN A 210 33.671 3.416 49.040 1.00 17.32 N flip ATOM 0 H GLN A 210 37.129 6.862 46.767 1.00 10.67 H new ATOM 0 HA GLN A 210 34.572 7.153 47.695 1.00 11.95 H new ATOM 0 HB2 GLN A 210 36.887 6.388 49.170 1.00 12.28 H new ATOM 0 HB3 GLN A 210 35.511 6.630 49.864 1.00 12.28 H new ATOM 0 HG2 GLN A 210 35.692 4.712 47.795 1.00 14.32 H new ATOM 0 HG3 GLN A 210 36.086 4.295 49.245 1.00 14.32 H new ATOM 0 HE21 GLN A 210 34.215 2.771 48.875 1.00 17.32 H new ATOM 0 HE22 GLN A 210 32.845 3.249 49.211 1.00 17.32 H new ATOM 2779 N GLY A 211 36.828 9.331 47.906 1.00 6.98 N ATOM 2780 CA GLY A 211 37.028 10.734 48.349 1.00 8.92 C ATOM 2781 C GLY A 211 37.727 11.618 47.338 1.00 7.75 C ATOM 2782 O GLY A 211 38.276 11.123 46.365 1.00 9.59 O ATOM 0 H GLY A 211 37.438 9.003 47.396 1.00 6.98 H new ATOM 0 HA2 GLY A 211 36.164 11.122 48.558 1.00 8.92 H new ATOM 0 HA3 GLY A 211 37.544 10.731 49.171 1.00 8.92 H new ATOM 2786 N ILE A 212 37.670 12.901 47.636 1.00 6.77 N ATOM 2787 CA ILE A 212 38.300 13.968 46.807 1.00 4.57 C ATOM 2788 C ILE A 212 39.157 14.796 47.820 1.00 7.21 C ATOM 2789 O ILE A 212 38.664 15.149 48.877 1.00 8.83 O ATOM 2790 CB ILE A 212 37.220 14.855 46.184 1.00 6.23 C ATOM 2791 CG1 ILE A 212 36.276 13.996 45.275 1.00 7.47 C ATOM 2792 CG2 ILE A 212 37.867 16.005 45.370 1.00 8.98 C ATOM 2793 CD1 ILE A 212 35.110 14.807 44.723 1.00 11.14 C ATOM 0 H ILE A 212 37.263 13.202 48.331 1.00 6.77 H new ATOM 0 HA ILE A 212 38.831 13.608 46.079 1.00 4.57 H new ATOM 0 HB ILE A 212 36.690 15.248 46.895 1.00 6.23 H new ATOM 0 HG12 ILE A 212 36.788 13.627 44.538 1.00 7.47 H new ATOM 0 HG13 ILE A 212 35.933 13.246 45.786 1.00 7.47 H new ATOM 0 HG21 ILE A 212 37.171 16.558 44.982 1.00 8.98 H new ATOM 0 HG22 ILE A 212 38.420 16.545 45.956 1.00 8.98 H new ATOM 0 HG23 ILE A 212 38.416 15.632 44.662 1.00 8.98 H new ATOM 0 HD11 ILE A 212 34.554 14.238 44.168 1.00 11.14 H new ATOM 0 HD12 ILE A 212 34.582 15.157 45.458 1.00 11.14 H new ATOM 0 HD13 ILE A 212 35.451 15.543 44.191 1.00 11.14 H new ATOM 2805 N VAL A 213 40.399 15.090 47.518 1.00 9.45 N ATOM 2806 CA VAL A 213 41.254 15.902 48.457 1.00 9.84 C ATOM 2807 C VAL A 213 40.533 17.262 48.579 1.00 9.57 C ATOM 2808 O VAL A 213 40.326 17.943 47.589 1.00 5.61 O ATOM 2809 CB VAL A 213 42.655 16.048 47.843 1.00 9.04 C ATOM 2810 CG1 VAL A 213 43.558 16.834 48.796 1.00 9.51 C ATOM 2811 CG2 VAL A 213 43.292 14.648 47.599 1.00 9.74 C ATOM 0 H VAL A 213 40.792 14.848 46.792 1.00 9.45 H new ATOM 0 HA VAL A 213 41.367 15.497 49.331 1.00 9.84 H new ATOM 0 HB VAL A 213 42.570 16.517 46.998 1.00 9.04 H new ATOM 0 HG11 VAL A 213 44.441 16.924 48.405 1.00 9.51 H new ATOM 0 HG12 VAL A 213 43.181 17.715 48.947 1.00 9.51 H new ATOM 0 HG13 VAL A 213 43.626 16.362 49.641 1.00 9.51 H new ATOM 0 HG21 VAL A 213 44.175 14.757 47.212 1.00 9.74 H new ATOM 0 HG22 VAL A 213 43.366 14.174 48.442 1.00 9.74 H new ATOM 0 HG23 VAL A 213 42.733 14.140 46.991 1.00 9.74 H new ATOM 2821 N SER A 214 40.202 17.626 49.779 1.00 10.05 N ATOM 2822 CA SER A 214 39.471 18.906 50.009 1.00 9.62 C ATOM 2823 C SER A 214 40.251 19.914 50.908 1.00 10.42 C ATOM 2824 O SER A 214 40.572 21.009 50.455 1.00 10.96 O ATOM 2825 CB SER A 214 38.104 18.458 50.576 1.00 7.35 C ATOM 2826 OG SER A 214 37.320 19.607 50.742 1.00 8.93 O ATOM 0 H SER A 214 40.374 17.174 50.490 1.00 10.05 H new ATOM 0 HA SER A 214 39.362 19.423 49.196 1.00 9.62 H new ATOM 0 HB2 SER A 214 37.672 17.834 49.972 1.00 7.35 H new ATOM 0 HB3 SER A 214 38.220 17.999 51.422 1.00 7.35 H new ATOM 0 HG SER A 214 37.077 19.892 49.990 1.00 8.93 H new ATOM 2832 N TRP A 215 40.545 19.576 52.133 1.00 11.22 N ATOM 2833 CA TRP A 215 41.293 20.540 52.999 1.00 11.99 C ATOM 2834 C TRP A 215 42.012 19.837 54.108 1.00 15.07 C ATOM 2835 O TRP A 215 41.876 18.650 54.256 1.00 15.85 O ATOM 2836 CB TRP A 215 40.320 21.587 53.611 1.00 12.94 C ATOM 2837 CG TRP A 215 39.053 21.113 54.383 1.00 10.70 C ATOM 2838 CD1 TRP A 215 37.900 20.652 53.836 1.00 13.42 C ATOM 2839 CD2 TRP A 215 38.913 21.122 55.725 1.00 12.18 C ATOM 2840 NE1 TRP A 215 37.127 20.414 54.870 1.00 9.15 N ATOM 2841 CE2 TRP A 215 37.637 20.663 56.064 1.00 12.23 C ATOM 2842 CE3 TRP A 215 39.807 21.510 56.718 1.00 14.58 C ATOM 2843 CZ2 TRP A 215 37.250 20.581 57.400 1.00 12.84 C ATOM 2844 CZ3 TRP A 215 39.410 21.432 58.068 1.00 15.90 C ATOM 2845 CH2 TRP A 215 38.140 20.968 58.398 1.00 14.22 C ATOM 0 H TRP A 215 40.343 18.826 52.502 1.00 11.22 H new ATOM 0 HA TRP A 215 41.946 20.986 52.437 1.00 11.99 H new ATOM 0 HB2 TRP A 215 40.836 22.142 54.217 1.00 12.94 H new ATOM 0 HB3 TRP A 215 40.020 22.160 52.888 1.00 12.94 H new ATOM 0 HD1 TRP A 215 37.703 20.532 52.935 1.00 13.42 H new ATOM 0 HE1 TRP A 215 36.328 20.111 54.775 1.00 9.15 H new ATOM 0 HE3 TRP A 215 40.656 21.817 56.494 1.00 14.58 H new ATOM 0 HZ2 TRP A 215 36.403 20.270 57.624 1.00 12.84 H new ATOM 0 HZ3 TRP A 215 39.998 21.691 58.740 1.00 15.90 H new ATOM 0 HH2 TRP A 215 37.884 20.916 59.291 1.00 14.22 H new ATOM 2856 N GLY A 216 42.777 20.532 54.876 1.00 17.41 N ATOM 2857 CA GLY A 216 43.499 19.869 55.987 1.00 22.77 C ATOM 2858 C GLY A 216 44.057 21.014 56.820 1.00 29.68 C ATOM 2859 O GLY A 216 43.815 22.151 56.445 1.00 35.71 O ATOM 0 H GLY A 216 42.913 21.378 54.801 1.00 17.41 H new ATOM 0 HA2 GLY A 216 42.904 19.310 56.510 1.00 22.77 H new ATOM 0 HA3 GLY A 216 44.208 19.296 55.655 1.00 22.77 H new ATOM 2863 N SER A 217 44.766 20.784 57.886 1.00 35.42 N ATOM 2864 CA SER A 217 45.315 21.945 58.694 1.00 41.13 C ATOM 2865 C SER A 217 46.763 21.780 58.305 1.00 44.43 C ATOM 2866 O SER A 217 47.451 20.883 58.780 1.00 41.56 O ATOM 2867 CB SER A 217 45.205 21.777 60.224 1.00 40.05 C ATOM 2868 OG SER A 217 45.735 22.986 60.756 1.00 42.53 O ATOM 0 H SER A 217 44.961 20.003 58.188 1.00 35.42 H new ATOM 0 HA SER A 217 44.864 22.786 58.522 1.00 41.13 H new ATOM 0 HB2 SER A 217 44.284 21.644 60.499 1.00 40.05 H new ATOM 0 HB3 SER A 217 45.707 21.006 60.531 1.00 40.05 H new ATOM 0 HG SER A 217 45.703 22.961 61.595 1.00 42.53 H new ATOM 2874 N GLY A 219 47.176 22.665 57.430 1.00 49.50 N ATOM 2875 CA GLY A 219 48.585 22.586 56.961 1.00 50.09 C ATOM 2876 C GLY A 219 48.686 21.172 56.365 1.00 50.07 C ATOM 2877 O GLY A 219 47.685 20.638 55.901 1.00 47.59 O ATOM 0 H GLY A 219 46.701 23.299 57.095 1.00 49.50 H new ATOM 0 HA2 GLY A 219 48.780 23.268 56.299 1.00 50.09 H new ATOM 0 HA3 GLY A 219 49.212 22.712 57.690 1.00 50.09 H new ATOM 2881 N CYS A 220 49.869 20.631 56.398 1.00 49.03 N ATOM 2882 CA CYS A 220 50.054 19.272 55.852 1.00 48.91 C ATOM 2883 C CYS A 220 50.762 18.480 56.941 1.00 47.87 C ATOM 2884 O CYS A 220 51.443 19.068 57.765 1.00 46.10 O ATOM 2885 CB CYS A 220 50.913 19.368 54.579 1.00 48.89 C ATOM 2886 SG CYS A 220 50.437 20.668 53.409 1.00 46.89 S ATOM 0 H CYS A 220 50.576 21.002 56.718 1.00 49.03 H new ATOM 0 HA CYS A 220 49.218 18.842 55.612 1.00 48.91 H new ATOM 0 HB2 CYS A 220 51.836 19.513 54.841 1.00 48.89 H new ATOM 0 HB3 CYS A 220 50.879 18.514 54.120 1.00 48.89 H new ATOM 2891 N ALA A 221A 50.577 17.187 56.855 1.00 47.13 N ATOM 2892 CA ALA A 221A 51.136 16.117 57.773 1.00 45.83 C ATOM 2893 C ALA A 221A 51.440 16.468 59.259 1.00 46.29 C ATOM 2894 O ALA A 221A 52.349 15.887 59.831 1.00 42.15 O ATOM 2895 CB ALA A 221A 52.441 15.560 57.118 1.00 44.10 C ATOM 0 H ALA A 221A 50.094 16.849 56.229 1.00 47.13 H new ATOM 0 HA ALA A 221A 50.406 15.483 57.850 1.00 45.83 H new ATOM 0 HB1 ALA A 221A 52.820 14.872 57.687 1.00 44.10 H new ATOM 0 HB2 ALA A 221A 52.232 15.182 56.249 1.00 44.10 H new ATOM 0 HB3 ALA A 221A 53.082 16.280 57.011 1.00 44.10 H new ATOM 2901 N GLN A 221 50.694 17.367 59.853 1.00 46.75 N ATOM 2902 CA GLN A 221 50.961 17.727 61.287 1.00 45.77 C ATOM 2903 C GLN A 221 50.339 16.615 62.135 1.00 46.39 C ATOM 2904 O GLN A 221 49.529 15.813 61.685 1.00 46.73 O ATOM 2905 CB GLN A 221 50.278 19.087 61.736 1.00 42.77 C ATOM 2906 CG GLN A 221 50.872 20.312 61.062 1.00 42.44 C ATOM 2907 CD GLN A 221 52.282 20.538 61.569 0.04 40.45 C ATOM 2908 OE1 GLN A 221 52.479 20.901 62.715 0.04 40.00 O ATOM 2909 NE2 GLN A 221 53.280 20.333 60.766 0.04 39.04 N ATOM 0 H GLN A 221 50.040 17.786 59.484 1.00 46.75 H new ATOM 0 HA GLN A 221 51.919 17.830 61.398 1.00 45.77 H new ATOM 0 HB2 GLN A 221 49.329 19.045 61.538 1.00 42.77 H new ATOM 0 HB3 GLN A 221 50.363 19.182 62.698 1.00 42.77 H new ATOM 0 HG2 GLN A 221 50.880 20.191 60.100 1.00 42.44 H new ATOM 0 HG3 GLN A 221 50.324 21.091 61.245 1.00 42.44 H new ATOM 0 HE21 GLN A 221 53.136 20.077 59.958 0.04 39.04 H new ATOM 0 HE22 GLN A 221 54.086 20.453 61.042 0.04 39.04 H new ATOM 2918 N LYS A 222 50.760 16.640 63.364 1.00 45.29 N ATOM 2919 CA LYS A 222 50.273 15.650 64.324 1.00 44.05 C ATOM 2920 C LYS A 222 48.861 16.168 64.645 1.00 46.89 C ATOM 2921 O LYS A 222 48.593 17.357 64.714 1.00 46.67 O ATOM 2922 CB LYS A 222 51.263 15.688 65.503 0.45 41.13 C ATOM 2923 CG LYS A 222 50.888 14.748 66.658 0.45 40.30 C ATOM 2924 CD LYS A 222 51.953 14.978 67.765 0.45 39.29 C ATOM 2925 CE LYS A 222 51.644 14.162 69.037 0.45 40.03 C ATOM 2926 NZ LYS A 222 52.691 14.444 70.068 0.45 40.78 N ATOM 0 H LYS A 222 51.323 17.209 63.679 1.00 45.29 H new ATOM 0 HA LYS A 222 50.222 14.724 64.040 1.00 44.05 H new ATOM 0 HB2 LYS A 222 52.147 15.453 65.180 0.45 41.13 H new ATOM 0 HB3 LYS A 222 51.316 16.596 65.840 0.45 41.13 H new ATOM 0 HG2 LYS A 222 49.997 14.943 66.988 0.45 40.30 H new ATOM 0 HG3 LYS A 222 50.886 13.823 66.366 0.45 40.30 H new ATOM 0 HD2 LYS A 222 52.828 14.732 67.428 0.45 39.29 H new ATOM 0 HD3 LYS A 222 51.990 15.921 67.987 0.45 39.29 H new ATOM 0 HE2 LYS A 222 50.767 14.395 69.379 0.45 40.03 H new ATOM 0 HE3 LYS A 222 51.625 13.215 68.830 0.45 40.03 H new ATOM 0 HZ1 LYS A 222 52.517 13.975 70.804 0.45 40.78 H new ATOM 0 HZ2 LYS A 222 53.490 14.212 69.751 0.45 40.78 H new ATOM 0 HZ3 LYS A 222 52.690 15.312 70.263 0.45 40.78 H new ATOM 2940 N ASN A 223 48.024 15.202 64.825 1.00 49.52 N ATOM 2941 CA ASN A 223 46.581 15.326 65.147 1.00 51.29 C ATOM 2942 C ASN A 223 45.797 16.151 64.154 1.00 46.70 C ATOM 2943 O ASN A 223 44.701 16.576 64.479 1.00 49.44 O ATOM 2944 CB ASN A 223 46.420 15.918 66.583 1.00 55.40 C ATOM 2945 CG ASN A 223 46.916 14.840 67.588 1.00 60.68 C ATOM 2946 OD1 ASN A 223 46.511 13.689 67.549 1.00 63.99 O ATOM 2947 ND2 ASN A 223 47.791 15.136 68.510 1.00 63.92 N ATOM 0 H ASN A 223 48.271 14.380 64.765 1.00 49.52 H new ATOM 0 HA ASN A 223 46.209 14.432 65.099 1.00 51.29 H new ATOM 0 HB2 ASN A 223 46.935 16.734 66.676 1.00 55.40 H new ATOM 0 HB3 ASN A 223 45.493 16.146 66.757 1.00 55.40 H new ATOM 0 HD21 ASN A 223 48.059 14.530 69.059 1.00 63.92 H new ATOM 0 HD22 ASN A 223 48.100 15.937 68.569 1.00 63.92 H new ATOM 2954 N LYS A 224 46.362 16.369 62.989 1.00 42.28 N ATOM 2955 CA LYS A 224 45.698 17.166 61.893 1.00 33.96 C ATOM 2956 C LYS A 224 45.725 16.324 60.607 1.00 27.86 C ATOM 2957 O LYS A 224 46.574 16.535 59.760 1.00 25.60 O ATOM 2958 CB LYS A 224 46.434 18.488 61.663 1.00 33.63 C ATOM 2959 CG LYS A 224 46.201 19.421 62.909 1.00 36.69 C ATOM 2960 CD LYS A 224 44.664 19.816 63.063 1.00 38.60 C ATOM 2961 CE ALYS A 224 44.478 20.719 64.300 0.16 40.20 C ATOM 2962 CE BLYS A 224 44.413 20.646 64.340 0.70 38.43 C ATOM 2963 NZ ALYS A 224 43.086 21.247 64.332 0.16 40.45 N ATOM 2964 NZ BLYS A 224 44.173 19.739 65.508 0.70 36.72 N ATOM 0 H LYS A 224 47.142 16.073 62.779 1.00 42.28 H new ATOM 0 HA LYS A 224 44.785 17.372 62.147 1.00 33.96 H new ATOM 0 HB2 LYS A 224 47.382 18.327 61.536 1.00 33.63 H new ATOM 0 HB3 LYS A 224 46.109 18.917 60.856 1.00 33.63 H new ATOM 0 HG2 LYS A 224 46.503 18.970 63.713 1.00 36.69 H new ATOM 0 HG3 LYS A 224 46.735 20.225 62.817 1.00 36.69 H new ATOM 0 HD2ALYS A 224 44.359 20.278 62.266 0.16 38.60 H new ATOM 0 HD2BLYS A 224 44.381 20.323 62.286 0.70 38.60 H new ATOM 0 HD3ALYS A 224 44.123 19.016 63.152 0.16 38.60 H new ATOM 0 HD3BLYS A 224 44.124 19.011 63.089 0.70 38.60 H new ATOM 0 HE2ALYS A 224 44.661 20.216 65.109 0.16 38.43 H new ATOM 0 HE2BLYS A 224 45.176 21.218 64.517 0.70 38.43 H new ATOM 0 HE3ALYS A 224 45.111 21.453 64.273 0.16 38.43 H new ATOM 0 HE3BLYS A 224 43.647 21.227 64.211 0.70 38.43 H new ATOM 0 HZ1ALYS A 224 42.969 21.732 65.069 0.16 36.72 H new ATOM 0 HZ1BLYS A 224 44.427 20.146 66.258 0.70 36.72 H new ATOM 0 HZ2ALYS A 224 42.945 21.757 63.616 0.16 36.72 H new ATOM 0 HZ2BLYS A 224 43.307 19.541 65.557 0.70 36.72 H new ATOM 0 HZ3ALYS A 224 42.511 20.568 64.330 0.16 36.72 H new ATOM 0 HZ3BLYS A 224 44.643 18.990 65.404 0.70 36.72 H new ATOM 2983 N PRO A 225 44.812 15.376 60.480 1.00 20.64 N ATOM 2984 CA PRO A 225 44.658 14.574 59.247 1.00 19.79 C ATOM 2985 C PRO A 225 44.063 15.399 58.070 1.00 17.93 C ATOM 2986 O PRO A 225 43.648 16.525 58.225 1.00 18.13 O ATOM 2987 CB PRO A 225 43.788 13.390 59.726 1.00 19.14 C ATOM 2988 CG PRO A 225 42.912 14.015 60.819 1.00 18.36 C ATOM 2989 CD PRO A 225 43.840 14.963 61.545 1.00 18.42 C ATOM 0 HA PRO A 225 45.495 14.269 58.862 1.00 19.79 H new ATOM 0 HB2 PRO A 225 43.253 13.024 59.004 1.00 19.14 H new ATOM 0 HB3 PRO A 225 44.330 12.665 60.073 1.00 19.14 H new ATOM 0 HG2 PRO A 225 42.153 14.484 60.439 1.00 18.36 H new ATOM 0 HG3 PRO A 225 42.557 13.339 61.418 1.00 18.36 H new ATOM 0 HD2 PRO A 225 43.361 15.725 61.908 1.00 18.42 H new ATOM 0 HD3 PRO A 225 44.286 14.528 62.288 1.00 18.42 H new ATOM 2997 N GLY A 226 44.033 14.822 56.909 1.00 15.23 N ATOM 2998 CA GLY A 226 43.478 15.551 55.738 1.00 13.95 C ATOM 2999 C GLY A 226 41.978 15.284 55.804 1.00 9.80 C ATOM 3000 O GLY A 226 41.598 14.308 56.434 1.00 10.19 O ATOM 0 H GLY A 226 44.315 14.026 56.747 1.00 15.23 H new ATOM 0 HA2 GLY A 226 43.671 16.500 55.788 1.00 13.95 H new ATOM 0 HA3 GLY A 226 43.859 15.227 54.907 1.00 13.95 H new ATOM 3004 N VAL A 227 41.197 16.128 55.182 1.00 7.69 N ATOM 3005 CA VAL A 227 39.726 16.027 55.144 1.00 6.17 C ATOM 3006 C VAL A 227 39.408 15.876 53.662 1.00 8.06 C ATOM 3007 O VAL A 227 39.962 16.568 52.812 1.00 9.24 O ATOM 3008 CB VAL A 227 39.187 17.312 55.780 1.00 4.59 C ATOM 3009 CG1 VAL A 227 37.683 17.160 55.867 1.00 6.45 C ATOM 3010 CG2 VAL A 227 39.738 17.453 57.235 1.00 7.35 C ATOM 0 H VAL A 227 41.500 16.806 54.749 1.00 7.69 H new ATOM 0 HA VAL A 227 39.327 15.288 55.630 1.00 6.17 H new ATOM 0 HB VAL A 227 39.450 18.086 55.257 1.00 4.59 H new ATOM 0 HG11 VAL A 227 37.300 17.957 56.266 1.00 6.45 H new ATOM 0 HG12 VAL A 227 37.318 17.037 54.977 1.00 6.45 H new ATOM 0 HG13 VAL A 227 37.467 16.389 56.414 1.00 6.45 H new ATOM 0 HG21 VAL A 227 39.394 18.268 57.634 1.00 7.35 H new ATOM 0 HG22 VAL A 227 39.455 16.690 57.764 1.00 7.35 H new ATOM 0 HG23 VAL A 227 40.707 17.489 57.212 1.00 7.35 H new ATOM 3020 N TYR A 228 38.528 14.945 53.412 1.00 8.63 N ATOM 3021 CA TYR A 228 38.061 14.577 52.056 1.00 7.15 C ATOM 3022 C TYR A 228 36.572 14.661 51.826 1.00 6.17 C ATOM 3023 O TYR A 228 35.804 14.404 52.727 1.00 9.39 O ATOM 3024 CB TYR A 228 38.578 13.114 51.813 1.00 8.50 C ATOM 3025 CG TYR A 228 40.099 13.012 52.043 1.00 9.77 C ATOM 3026 CD1 TYR A 228 40.958 13.265 51.018 1.00 9.89 C ATOM 3027 CD2 TYR A 228 40.639 12.748 53.296 1.00 13.23 C ATOM 3028 CE1 TYR A 228 42.300 13.259 51.228 1.00 11.18 C ATOM 3029 CE2 TYR A 228 42.012 12.744 53.511 1.00 11.21 C ATOM 3030 CZ TYR A 228 42.839 13.005 52.472 1.00 8.57 C ATOM 3031 OH TYR A 228 44.204 13.064 52.598 1.00 14.35 O ATOM 0 H TYR A 228 38.159 14.479 54.034 1.00 8.63 H new ATOM 0 HA TYR A 228 38.415 15.225 51.427 1.00 7.15 H new ATOM 0 HB2 TYR A 228 38.117 12.503 52.409 1.00 8.50 H new ATOM 0 HB3 TYR A 228 38.367 12.840 50.907 1.00 8.50 H new ATOM 0 HD1 TYR A 228 40.624 13.443 50.169 1.00 9.89 H new ATOM 0 HD2 TYR A 228 40.068 12.570 54.008 1.00 13.23 H new ATOM 0 HE1 TYR A 228 42.871 13.431 50.514 1.00 11.18 H new ATOM 0 HE2 TYR A 228 42.357 12.565 54.356 1.00 11.21 H new ATOM 0 HH TYR A 228 44.562 12.848 51.870 1.00 14.35 H new ATOM 3041 N THR A 229 36.187 14.993 50.623 1.00 6.50 N ATOM 3042 CA THR A 229 34.749 15.079 50.288 1.00 5.18 C ATOM 3043 C THR A 229 34.283 13.580 50.262 1.00 7.56 C ATOM 3044 O THR A 229 34.937 12.752 49.668 1.00 9.29 O ATOM 3045 CB THR A 229 34.592 15.713 48.916 1.00 4.88 C ATOM 3046 OG1 THR A 229 35.177 17.013 49.029 1.00 8.65 O ATOM 3047 CG2 THR A 229 33.130 15.923 48.561 1.00 8.29 C ATOM 0 H THR A 229 36.721 15.176 49.974 1.00 6.50 H new ATOM 0 HA THR A 229 34.234 15.615 50.911 1.00 5.18 H new ATOM 0 HB THR A 229 34.997 15.145 48.242 1.00 4.88 H new ATOM 0 HG1 THR A 229 34.958 17.478 48.364 1.00 8.65 H new ATOM 0 HG21 THR A 229 33.065 16.328 47.682 1.00 8.29 H new ATOM 0 HG22 THR A 229 32.672 15.068 48.557 1.00 8.29 H new ATOM 0 HG23 THR A 229 32.718 16.507 49.217 1.00 8.29 H new ATOM 3055 N LYS A 230 33.189 13.253 50.885 1.00 8.84 N ATOM 3056 CA LYS A 230 32.636 11.855 50.957 1.00 8.87 C ATOM 3057 C LYS A 230 31.748 11.593 49.715 1.00 8.17 C ATOM 3058 O LYS A 230 30.551 11.831 49.704 1.00 9.29 O ATOM 3059 CB LYS A 230 31.880 11.816 52.312 1.00 11.50 C ATOM 3060 CG LYS A 230 31.656 10.362 52.749 1.00 9.69 C ATOM 3061 CD LYS A 230 31.000 10.446 54.135 1.00 14.84 C ATOM 3062 CE LYS A 230 30.726 9.047 54.612 1.00 22.27 C ATOM 3063 NZ LYS A 230 30.063 9.101 55.948 1.00 25.45 N ATOM 0 H LYS A 230 32.705 13.829 51.302 1.00 8.84 H new ATOM 0 HA LYS A 230 33.301 11.150 50.935 1.00 8.87 H new ATOM 0 HB2 LYS A 230 32.389 12.290 52.988 1.00 11.50 H new ATOM 0 HB3 LYS A 230 31.027 12.271 52.228 1.00 11.50 H new ATOM 0 HG2 LYS A 230 31.085 9.892 52.121 1.00 9.69 H new ATOM 0 HG3 LYS A 230 32.495 9.876 52.788 1.00 9.69 H new ATOM 0 HD2 LYS A 230 31.583 10.907 54.758 1.00 14.84 H new ATOM 0 HD3 LYS A 230 30.176 10.955 54.089 1.00 14.84 H new ATOM 0 HE2 LYS A 230 30.159 8.583 53.977 1.00 22.27 H new ATOM 0 HE3 LYS A 230 31.555 8.546 54.671 1.00 22.27 H new ATOM 0 HZ1 LYS A 230 29.900 8.274 56.232 1.00 25.45 H new ATOM 0 HZ2 LYS A 230 30.597 9.514 56.528 1.00 25.45 H new ATOM 0 HZ3 LYS A 230 29.296 9.548 55.881 1.00 25.45 H new ATOM 3077 N VAL A 231 32.401 11.108 48.699 1.00 8.01 N ATOM 3078 CA VAL A 231 31.772 10.789 47.384 1.00 8.73 C ATOM 3079 C VAL A 231 30.557 9.883 47.452 1.00 7.97 C ATOM 3080 O VAL A 231 29.641 10.092 46.677 1.00 9.88 O ATOM 3081 CB VAL A 231 32.890 10.159 46.415 1.00 6.19 C ATOM 3082 CG1 VAL A 231 32.310 9.847 45.000 1.00 8.17 C ATOM 3083 CG2 VAL A 231 34.026 11.166 46.143 1.00 8.93 C ATOM 0 H VAL A 231 33.244 10.940 48.724 1.00 8.01 H new ATOM 0 HA VAL A 231 31.431 11.627 47.034 1.00 8.73 H new ATOM 0 HB VAL A 231 33.202 9.361 46.869 1.00 6.19 H new ATOM 0 HG11 VAL A 231 33.007 9.469 44.441 1.00 8.17 H new ATOM 0 HG12 VAL A 231 31.581 9.212 45.082 1.00 8.17 H new ATOM 0 HG13 VAL A 231 31.981 10.666 44.597 1.00 8.17 H new ATOM 0 HG21 VAL A 231 34.685 10.761 45.557 1.00 8.93 H new ATOM 0 HG22 VAL A 231 33.661 11.959 45.719 1.00 8.93 H new ATOM 0 HG23 VAL A 231 34.447 11.413 46.981 1.00 8.93 H new ATOM 3093 N CYS A 232 30.535 8.917 48.329 1.00 8.91 N ATOM 3094 CA CYS A 232 29.350 8.019 48.394 1.00 10.01 C ATOM 3095 C CYS A 232 28.052 8.806 48.631 1.00 11.28 C ATOM 3096 O CYS A 232 26.995 8.311 48.322 1.00 11.10 O ATOM 3097 CB CYS A 232 29.608 6.978 49.494 1.00 7.43 C ATOM 3098 SG CYS A 232 29.798 7.530 51.179 1.00 12.37 S ATOM 0 H CYS A 232 31.162 8.745 48.892 1.00 8.91 H new ATOM 0 HA CYS A 232 29.227 7.568 47.544 1.00 10.01 H new ATOM 0 HB2 CYS A 232 28.875 6.344 49.475 1.00 7.43 H new ATOM 0 HB3 CYS A 232 30.411 6.490 49.253 1.00 7.43 H new ATOM 3103 N ASN A 233 28.136 9.993 49.151 1.00 9.56 N ATOM 3104 CA ASN A 233 26.901 10.804 49.401 1.00 11.26 C ATOM 3105 C ASN A 233 26.435 11.533 48.153 1.00 11.71 C ATOM 3106 O ASN A 233 25.343 12.074 48.178 1.00 11.56 O ATOM 3107 CB ASN A 233 27.135 11.901 50.429 1.00 11.59 C ATOM 3108 CG ASN A 233 27.247 11.355 51.844 1.00 12.51 C ATOM 3109 OD1 ASN A 233 27.092 10.183 52.108 1.00 14.77 O ATOM 3110 ND2 ASN A 233 27.511 12.174 52.815 1.00 17.87 N ATOM 0 H ASN A 233 28.873 10.375 49.376 1.00 9.56 H new ATOM 0 HA ASN A 233 26.245 10.159 49.707 1.00 11.26 H new ATOM 0 HB2 ASN A 233 27.947 12.382 50.206 1.00 11.59 H new ATOM 0 HB3 ASN A 233 26.406 12.540 50.388 1.00 11.59 H new ATOM 0 HD21 ASN A 233 27.572 11.880 53.621 1.00 17.87 H new ATOM 0 HD22 ASN A 233 27.625 13.011 52.653 1.00 17.87 H new ATOM 3117 N TYR A 234 27.221 11.543 47.110 1.00 9.49 N ATOM 3118 CA TYR A 234 26.855 12.261 45.845 1.00 9.54 C ATOM 3119 C TYR A 234 26.702 11.388 44.608 1.00 10.75 C ATOM 3120 O TYR A 234 26.653 11.899 43.499 1.00 10.95 O ATOM 3121 CB TYR A 234 27.954 13.313 45.531 1.00 9.98 C ATOM 3122 CG TYR A 234 28.228 14.275 46.698 1.00 10.34 C ATOM 3123 CD1 TYR A 234 27.477 15.421 46.793 1.00 12.18 C ATOM 3124 CD2 TYR A 234 29.202 14.027 47.665 1.00 7.79 C ATOM 3125 CE1 TYR A 234 27.687 16.294 47.828 1.00 12.63 C ATOM 3126 CE2 TYR A 234 29.399 14.903 48.692 1.00 9.83 C ATOM 3127 CZ TYR A 234 28.644 16.047 48.782 1.00 8.28 C ATOM 3128 OH TYR A 234 28.836 16.928 49.822 1.00 7.96 O ATOM 0 H TYR A 234 27.984 11.146 47.083 1.00 9.49 H new ATOM 0 HA TYR A 234 25.982 12.646 46.021 1.00 9.54 H new ATOM 0 HB2 TYR A 234 28.776 12.853 45.300 1.00 9.98 H new ATOM 0 HB3 TYR A 234 27.688 13.827 44.753 1.00 9.98 H new ATOM 0 HD1 TYR A 234 26.826 15.604 46.155 1.00 12.18 H new ATOM 0 HD2 TYR A 234 29.722 13.258 47.609 1.00 7.79 H new ATOM 0 HE1 TYR A 234 27.173 17.067 47.886 1.00 12.63 H new ATOM 0 HE2 TYR A 234 30.048 14.725 49.334 1.00 9.83 H new ATOM 0 HH TYR A 234 28.170 17.436 49.886 1.00 7.96 H new ATOM 3138 N VAL A 235 26.619 10.115 44.766 1.00 10.60 N ATOM 3139 CA VAL A 235 26.496 9.270 43.550 1.00 10.54 C ATOM 3140 C VAL A 235 25.228 9.578 42.732 1.00 10.88 C ATOM 3141 O VAL A 235 25.316 9.691 41.522 1.00 7.65 O ATOM 3142 CB VAL A 235 26.589 7.759 44.025 1.00 12.35 C ATOM 3143 CG1 VAL A 235 26.456 6.813 42.831 1.00 13.15 C ATOM 3144 CG2 VAL A 235 28.029 7.475 44.560 1.00 14.07 C ATOM 0 H VAL A 235 26.628 9.699 45.518 1.00 10.60 H new ATOM 0 HA VAL A 235 27.217 9.464 42.930 1.00 10.54 H new ATOM 0 HB VAL A 235 25.893 7.623 44.687 1.00 12.35 H new ATOM 0 HG11 VAL A 235 26.515 5.895 43.137 1.00 13.15 H new ATOM 0 HG12 VAL A 235 25.599 6.955 42.399 1.00 13.15 H new ATOM 0 HG13 VAL A 235 27.170 6.988 42.198 1.00 13.15 H new ATOM 0 HG21 VAL A 235 28.090 6.552 44.852 1.00 14.07 H new ATOM 0 HG22 VAL A 235 28.674 7.634 43.853 1.00 14.07 H new ATOM 0 HG23 VAL A 235 28.218 8.063 45.308 1.00 14.07 H new ATOM 3154 N SER A 236 24.100 9.704 43.356 1.00 9.58 N ATOM 3155 CA SER A 236 22.862 10.006 42.575 1.00 10.14 C ATOM 3156 C SER A 236 23.007 11.364 41.870 1.00 10.13 C ATOM 3157 O SER A 236 22.574 11.479 40.748 1.00 12.66 O ATOM 3158 CB ASER A 236 21.642 10.054 43.522 0.33 8.06 C ATOM 3159 CB BSER A 236 21.660 9.985 43.561 0.22 8.78 C ATOM 3160 OG ASER A 236 21.954 9.096 44.534 0.33 9.93 O ATOM 3161 OG BSER A 236 22.123 10.577 44.779 0.22 11.20 O ATOM 0 H SER A 236 23.993 9.628 44.206 1.00 9.58 H new ATOM 0 HA SER A 236 22.732 9.309 41.913 1.00 10.14 H new ATOM 0 HB2ASER A 236 21.518 10.940 43.897 0.33 8.78 H new ATOM 0 HB2BSER A 236 20.909 10.481 43.200 0.22 8.78 H new ATOM 0 HB3ASER A 236 20.822 9.826 43.057 0.33 8.78 H new ATOM 0 HB3BSER A 236 21.354 9.077 43.713 0.22 8.78 H new ATOM 0 HG ASER A 236 22.100 9.493 45.260 0.33 11.20 H new ATOM 0 HG BSER A 236 22.452 11.332 44.616 0.22 11.20 H new ATOM 3170 N TRP A 237 23.592 12.338 42.534 1.00 10.62 N ATOM 3171 CA TRP A 237 23.779 13.700 41.906 1.00 9.07 C ATOM 3172 C TRP A 237 24.756 13.571 40.732 1.00 8.53 C ATOM 3173 O TRP A 237 24.555 14.128 39.673 1.00 9.90 O ATOM 3174 CB TRP A 237 24.362 14.747 42.945 1.00 8.20 C ATOM 3175 CG TRP A 237 24.609 16.129 42.275 1.00 9.41 C ATOM 3176 CD1 TRP A 237 23.674 17.054 41.860 1.00 6.24 C ATOM 3177 CD2 TRP A 237 25.832 16.609 41.961 1.00 10.93 C ATOM 3178 NE1 TRP A 237 24.402 18.015 41.325 1.00 7.16 N ATOM 3179 CE2 TRP A 237 25.719 17.842 41.338 1.00 11.11 C ATOM 3180 CE3 TRP A 237 27.108 16.064 42.177 1.00 11.79 C ATOM 3181 CZ2 TRP A 237 26.883 18.513 40.925 1.00 13.97 C ATOM 3182 CZ3 TRP A 237 28.260 16.753 41.761 1.00 13.25 C ATOM 3183 CH2 TRP A 237 28.146 17.981 41.143 1.00 12.44 C ATOM 0 H TRP A 237 23.894 12.266 43.336 1.00 10.62 H new ATOM 0 HA TRP A 237 22.913 14.019 41.607 1.00 9.07 H new ATOM 0 HB2 TRP A 237 23.744 14.850 43.685 1.00 8.20 H new ATOM 0 HB3 TRP A 237 25.194 14.411 43.314 1.00 8.20 H new ATOM 0 HD1 TRP A 237 22.748 17.010 41.939 1.00 6.24 H new ATOM 0 HE1 TRP A 237 24.042 18.718 40.985 1.00 7.16 H new ATOM 0 HE3 TRP A 237 27.191 15.240 42.599 1.00 11.79 H new ATOM 0 HZ2 TRP A 237 26.805 19.334 40.495 1.00 13.97 H new ATOM 0 HZ3 TRP A 237 29.100 16.381 41.903 1.00 13.25 H new ATOM 0 HH2 TRP A 237 28.906 18.446 40.876 1.00 12.44 H new ATOM 3194 N ILE A 238 25.814 12.844 40.907 1.00 7.46 N ATOM 3195 CA ILE A 238 26.779 12.696 39.783 1.00 10.43 C ATOM 3196 C ILE A 238 26.097 12.023 38.584 1.00 10.06 C ATOM 3197 O ILE A 238 26.098 12.494 37.459 1.00 8.79 O ATOM 3198 CB ILE A 238 28.004 11.825 40.277 1.00 10.73 C ATOM 3199 CG1 ILE A 238 28.851 12.647 41.286 1.00 12.89 C ATOM 3200 CG2 ILE A 238 28.893 11.408 39.079 1.00 12.18 C ATOM 3201 CD1 ILE A 238 29.927 11.775 41.909 1.00 12.32 C ATOM 0 H ILE A 238 26.017 12.427 41.631 1.00 7.46 H new ATOM 0 HA ILE A 238 27.092 13.570 39.502 1.00 10.43 H new ATOM 0 HB ILE A 238 27.663 11.025 40.707 1.00 10.73 H new ATOM 0 HG12 ILE A 238 29.260 13.402 40.834 1.00 12.89 H new ATOM 0 HG13 ILE A 238 28.277 13.008 41.980 1.00 12.89 H new ATOM 0 HG21 ILE A 238 29.638 10.876 39.399 1.00 12.18 H new ATOM 0 HG22 ILE A 238 28.368 10.886 38.453 1.00 12.18 H new ATOM 0 HG23 ILE A 238 29.230 12.201 38.634 1.00 12.18 H new ATOM 0 HD11 ILE A 238 30.447 12.301 42.536 1.00 12.32 H new ATOM 0 HD12 ILE A 238 29.512 11.033 42.376 1.00 12.32 H new ATOM 0 HD13 ILE A 238 30.510 11.433 41.213 1.00 12.32 H new ATOM 3213 N LYS A 239 25.504 10.904 38.846 1.00 8.96 N ATOM 3214 CA LYS A 239 24.841 10.172 37.744 1.00 11.38 C ATOM 3215 C LYS A 239 23.762 10.939 37.025 1.00 9.29 C ATOM 3216 O LYS A 239 23.665 10.857 35.808 1.00 12.58 O ATOM 3217 CB LYS A 239 24.285 8.880 38.321 1.00 15.00 C ATOM 3218 CG LYS A 239 25.469 7.943 38.586 1.00 18.23 C ATOM 3219 CD LYS A 239 24.909 6.555 38.929 1.00 24.60 C ATOM 3220 CE LYS A 239 26.055 5.503 38.980 1.00 31.37 C ATOM 3221 NZ LYS A 239 25.485 4.130 39.221 1.00 37.13 N ATOM 0 H LYS A 239 25.457 10.535 39.621 1.00 8.96 H new ATOM 0 HA LYS A 239 25.510 10.009 37.061 1.00 11.38 H new ATOM 0 HB2 LYS A 239 23.799 9.055 39.142 1.00 15.00 H new ATOM 0 HB3 LYS A 239 23.659 8.472 37.702 1.00 15.00 H new ATOM 0 HG2 LYS A 239 26.043 7.894 37.806 1.00 18.23 H new ATOM 0 HG3 LYS A 239 26.011 8.280 39.316 1.00 18.23 H new ATOM 0 HD2 LYS A 239 24.453 6.586 39.785 1.00 24.60 H new ATOM 0 HD3 LYS A 239 24.251 6.293 38.266 1.00 24.60 H new ATOM 0 HE2 LYS A 239 26.551 5.514 38.146 1.00 31.37 H new ATOM 0 HE3 LYS A 239 26.681 5.730 39.685 1.00 31.37 H new ATOM 0 HZ1 LYS A 239 26.146 3.535 39.249 1.00 37.13 H new ATOM 0 HZ2 LYS A 239 25.046 4.122 39.995 1.00 37.13 H new ATOM 0 HZ3 LYS A 239 24.925 3.921 38.561 1.00 37.13 H new ATOM 3235 N GLN A 240 23.002 11.662 37.801 1.00 9.55 N ATOM 3236 CA GLN A 240 21.885 12.455 37.226 1.00 11.85 C ATOM 3237 C GLN A 240 22.413 13.627 36.456 1.00 15.30 C ATOM 3238 O GLN A 240 21.914 13.903 35.379 1.00 13.82 O ATOM 3239 CB GLN A 240 20.963 12.881 38.407 1.00 14.19 C ATOM 3240 CG GLN A 240 19.705 13.621 37.926 0.01 14.14 C ATOM 3241 CD GLN A 240 18.625 13.394 38.981 0.01 15.02 C ATOM 3242 OE1 GLN A 240 18.835 13.580 40.163 0.01 14.14 O ATOM 3243 NE2 GLN A 240 17.458 12.989 38.597 0.01 15.19 N ATOM 0 H GLN A 240 23.092 11.725 38.654 1.00 9.55 H new ATOM 0 HA GLN A 240 21.371 11.931 36.592 1.00 11.85 H new ATOM 0 HB2 GLN A 240 20.701 12.094 38.910 1.00 14.19 H new ATOM 0 HB3 GLN A 240 21.460 13.452 39.013 1.00 14.19 H new ATOM 0 HG2 GLN A 240 19.884 14.568 37.816 0.01 14.14 H new ATOM 0 HG3 GLN A 240 19.418 13.285 37.063 0.01 14.14 H new ATOM 0 HE21 GLN A 240 17.303 12.855 37.762 0.01 15.19 H new ATOM 0 HE22 GLN A 240 16.838 12.853 39.177 0.01 15.19 H new ATOM 3252 N THR A 241 23.399 14.273 36.998 1.00 10.93 N ATOM 3253 CA THR A 241 23.959 15.445 36.297 1.00 12.56 C ATOM 3254 C THR A 241 24.683 15.052 34.995 1.00 12.00 C ATOM 3255 O THR A 241 24.440 15.671 33.974 1.00 9.79 O ATOM 3256 CB THR A 241 24.921 16.183 37.302 1.00 11.19 C ATOM 3257 OG1 THR A 241 24.051 16.579 38.361 1.00 12.71 O ATOM 3258 CG2 THR A 241 25.478 17.473 36.670 1.00 8.53 C ATOM 0 H THR A 241 23.768 14.077 37.750 1.00 10.93 H new ATOM 0 HA THR A 241 23.242 16.038 36.023 1.00 12.56 H new ATOM 0 HB THR A 241 25.667 15.622 37.568 1.00 11.19 H new ATOM 0 HG1 THR A 241 24.018 15.970 38.939 1.00 12.71 H new ATOM 0 HG21 THR A 241 26.068 17.914 37.301 1.00 8.53 H new ATOM 0 HG22 THR A 241 25.973 17.252 35.866 1.00 8.53 H new ATOM 0 HG23 THR A 241 24.744 18.066 36.444 1.00 8.53 H new ATOM 3266 N ILE A 242 25.529 14.056 35.027 1.00 11.30 N ATOM 3267 CA ILE A 242 26.233 13.681 33.781 1.00 16.56 C ATOM 3268 C ILE A 242 25.261 13.200 32.714 1.00 15.20 C ATOM 3269 O ILE A 242 25.484 13.409 31.534 1.00 14.00 O ATOM 3270 CB ILE A 242 27.300 12.573 34.080 1.00 16.41 C ATOM 3271 CG1 ILE A 242 26.701 11.245 34.552 1.00 18.10 C ATOM 3272 CG2 ILE A 242 28.296 13.137 35.115 1.00 16.99 C ATOM 3273 CD1 ILE A 242 27.829 10.194 34.647 1.00 21.77 C ATOM 0 H ILE A 242 25.720 13.586 35.721 1.00 11.30 H new ATOM 0 HA ILE A 242 26.679 14.472 33.440 1.00 16.56 H new ATOM 0 HB ILE A 242 27.750 12.356 33.249 1.00 16.41 H new ATOM 0 HG12 ILE A 242 26.274 11.358 35.416 1.00 18.10 H new ATOM 0 HG13 ILE A 242 26.016 10.947 33.933 1.00 18.10 H new ATOM 0 HG21 ILE A 242 28.968 12.467 35.316 1.00 16.99 H new ATOM 0 HG22 ILE A 242 28.726 13.927 34.753 1.00 16.99 H new ATOM 0 HG23 ILE A 242 27.821 13.372 35.927 1.00 16.99 H new ATOM 0 HD11 ILE A 242 27.459 9.348 34.946 1.00 21.77 H new ATOM 0 HD12 ILE A 242 28.238 10.078 33.775 1.00 21.77 H new ATOM 0 HD13 ILE A 242 28.499 10.495 35.280 1.00 21.77 H new ATOM 3285 N ALA A 243 24.205 12.573 33.152 1.00 13.19 N ATOM 3286 CA ALA A 243 23.226 12.075 32.153 1.00 12.79 C ATOM 3287 C ALA A 243 22.463 13.210 31.530 1.00 14.60 C ATOM 3288 O ALA A 243 22.010 13.071 30.419 1.00 14.56 O ATOM 3289 CB ALA A 243 22.245 11.118 32.834 1.00 12.17 C ATOM 0 H ALA A 243 24.018 12.417 33.977 1.00 13.19 H new ATOM 0 HA ALA A 243 23.713 11.612 31.453 1.00 12.79 H new ATOM 0 HB1 ALA A 243 21.605 10.792 32.182 1.00 12.17 H new ATOM 0 HB2 ALA A 243 22.732 10.369 33.210 1.00 12.17 H new ATOM 0 HB3 ALA A 243 21.775 11.586 33.542 1.00 12.17 H new ATOM 3295 N SER A 244 22.334 14.295 32.226 1.00 12.69 N ATOM 3296 CA SER A 244 21.577 15.434 31.648 1.00 15.15 C ATOM 3297 C SER A 244 22.443 16.521 30.984 1.00 14.37 C ATOM 3298 O SER A 244 21.899 17.499 30.524 1.00 17.73 O ATOM 3299 CB SER A 244 20.782 16.074 32.781 1.00 16.90 C ATOM 3300 OG SER A 244 20.186 14.995 33.487 1.00 21.95 O ATOM 0 H SER A 244 22.655 14.422 33.014 1.00 12.69 H new ATOM 0 HA SER A 244 21.021 15.072 30.940 1.00 15.15 H new ATOM 0 HB2 SER A 244 21.359 16.594 33.362 1.00 16.90 H new ATOM 0 HB3 SER A 244 20.108 16.679 32.435 1.00 16.90 H new ATOM 0 HG SER A 244 20.707 14.734 34.092 1.00 21.95 H new ATOM 3306 N ASN A 245 23.729 16.339 30.932 1.00 10.75 N ATOM 3307 CA ASN A 245 24.648 17.331 30.347 1.00 11.17 C ATOM 3308 C ASN A 245 25.617 16.740 29.337 1.00 10.88 C ATOM 3309 O ASN A 245 26.394 17.549 28.857 1.00 18.20 O ATOM 3310 CB ASN A 245 25.422 17.987 31.519 1.00 10.20 C ATOM 3311 CG ASN A 245 24.506 18.887 32.330 1.00 11.85 C ATOM 3312 OD1 ASN A 245 24.312 20.055 32.048 1.00 18.24 O ATOM 3313 ND2 ASN A 245 23.891 18.410 33.365 1.00 9.30 N ATOM 3314 OXT ASN A 245 25.564 15.554 29.088 1.00 13.51 O ATOM 0 H ASN A 245 24.121 15.635 31.233 1.00 10.75 H new ATOM 0 HA ASN A 245 24.126 17.981 29.851 1.00 11.17 H new ATOM 0 HB2 ASN A 245 25.796 17.299 32.091 1.00 10.20 H new ATOM 0 HB3 ASN A 245 26.166 18.503 31.172 1.00 10.20 H new ATOM 0 HD21 ASN A 245 23.368 18.915 33.825 1.00 9.30 H new ATOM 0 HD22 ASN A 245 24.005 17.589 33.592 1.00 9.30 H new TER 3321 ASN A 245 HETATM 3322 CA CA A 247 54.009 14.612 30.973 1.00 12.71 CA HETATM 3323 CL CL A 250 47.239 17.001 42.290 1.00 25.73 CL HETATM 3324 ZN ZN A 409 42.880 23.554 48.281 0.44 62.82 ZN HETATM 3325 ZN ZN A 410 47.962 19.311 42.528 1.01 33.54 ZN HETATM 3326 O HOH A 248 38.964 13.389 42.129 1.00 12.80 O HETATM 3329 O HOH A 249 34.820 18.891 51.916 1.00 15.42 O HETATM 3332 O HOH A 251 54.988 8.543 39.551 1.00 31.65 O HETATM 3335 O HOH A 252 48.255 18.418 58.473 1.00 30.21 O HETATM 3338 O HOH A 253 55.809 12.361 49.407 1.00 50.98 O HETATM 3341 O HOH A 254 52.601 15.344 45.610 1.00 41.37 O HETATM 3344 O HOH A 255 49.360 19.999 34.252 1.00 21.99 O HETATM 3347 O HOH A 256 52.219 5.135 51.849 1.00 37.44 O HETATM 3350 O HOH A 257 36.636 10.232 59.330 1.00 11.15 O HETATM 3353 O HOH A 258 48.454 7.678 33.764 1.00 50.48 O HETATM 3356 O HOH A 259 41.929 13.564 66.661 1.00 34.82 O HETATM 3359 O HOH A 260 48.383 15.020 58.860 1.00 51.76 O HETATM 3362 O HOH A 262 52.033 24.150 32.469 1.00 32.91 O HETATM 3365 O HOH A 263 45.912 15.213 43.669 1.00 40.76 O HETATM 3368 O HOH A 264 32.146 18.117 51.520 1.00 11.95 O HETATM 3371 O HOH A 265 45.762 12.163 55.018 1.00 33.01 O HETATM 3374 O HOH A 266 47.673 12.550 57.785 1.00 47.25 O HETATM 3377 O HOH A 267 52.997 10.546 30.243 1.00 39.04 O HETATM 3380 O HOH A 268 51.584 18.943 32.343 1.00 22.90 O HETATM 3383 O HOH A 269 47.151 12.458 34.333 1.00 29.19 O HETATM 3386 O HOH A 270 47.746 9.870 35.514 1.00 50.82 O HETATM 3389 O HOH A 271 53.121 16.638 30.257 1.00 22.94 O HETATM 3392 O HOH A 272 30.484 25.764 32.176 1.00 29.37 O HETATM 3395 O HOH A 273 27.051 13.006 29.531 1.00 21.70 O HETATM 3398 O HOH A 274 52.734 23.164 36.260 1.00 23.09 O HETATM 3401 O HOH A 275 45.118 9.458 33.421 1.00 24.39 O HETATM 3404 O HOH A 277 57.287 8.283 38.001 1.00 45.12 O HETATM 3407 O HOH A 278 31.014 29.511 45.562 1.00 21.88 O HETATM 3410 O HOH A 279 29.892 28.831 47.998 1.00 28.51 O HETATM 3413 O HOH A 280 44.559 7.278 43.951 1.00 11.26 O HETATM 3416 O HOH A 281 32.710 8.074 50.014 1.00 11.01 O HETATM 3419 O HOH A 282 33.265 23.004 57.847 1.00 25.96 O HETATM 3422 O HOH A 283 33.304 18.498 63.634 1.00 20.28 O HETATM 3425 O HOH A 284 41.372 4.323 61.705 1.00 41.40 O HETATM 3428 O HOH A 285 42.086 2.586 65.852 1.00 55.32 O HETATM 3431 O HOH A 286 32.917 6.039 28.923 1.00 26.91 O HETATM 3434 O HOH A 287 53.845 22.091 33.655 1.00 44.04 O HETATM 3437 O HOH A 288 59.536 6.737 45.834 1.00 44.41 O HETATM 3440 O HOH A 289 46.805 25.755 29.622 1.00 29.91 O HETATM 3443 O HOH A 290 45.908 5.945 61.430 1.00 49.55 O HETATM 3446 O HOH A 291 41.941 0.132 45.076 1.00 27.97 O HETATM 3449 O HOH A 292 33.177 6.820 52.486 1.00 26.33 O HETATM 3452 O HOH A 293 41.327 -1.988 42.559 1.00 32.09 O HETATM 3455 O HOH A 294 27.680 10.203 30.137 1.00 15.49 O HETATM 3458 O HOH A 295 27.819 13.542 26.465 1.00 41.22 O HETATM 3461 O HOH A 297 34.797 7.028 59.780 1.00 38.68 O HETATM 3464 O HOH A 298 31.295 0.205 46.422 1.00 31.54 O HETATM 3467 O HOH A 299 54.650 18.854 30.080 1.00 32.23 O HETATM 3470 O HOH A 300 25.674 8.881 31.541 1.00 25.65 O HETATM 3473 O HOH A 301 34.981 1.201 48.833 1.00 21.63 O HETATM 3476 O HOH A 302 54.774 6.139 52.047 1.00 56.79 O HETATM 3479 O HOH A 304 32.629 10.434 57.320 1.00 48.75 O HETATM 3482 O HOH A 305 30.795 23.140 59.104 1.00 38.49 O HETATM 3485 O HOH A 306 40.671 5.715 64.138 1.00 40.48 O HETATM 3488 O HOH A 307 29.741 7.005 34.431 1.00 35.46 O HETATM 3491 O HOH A 308 51.659 15.443 23.273 1.00 42.29 O HETATM 3494 O HOH A 309 54.219 12.396 31.650 1.00 43.85 O HETATM 3497 O HOH A 310 24.846 8.608 34.212 1.00 19.90 O HETATM 3500 O HOH A 311 60.414 15.717 47.663 1.00 56.86 O HETATM 3503 O HOH A 312 44.439 2.400 42.676 1.00 42.06 O HETATM 3506 O HOH A 313 24.036 15.948 46.542 1.00 23.98 O HETATM 3509 O HOH A 314 36.208 27.968 46.384 1.00 33.83 O HETATM 3512 O HOH A 315 37.556 25.151 29.211 1.00 45.38 O HETATM 3515 O HOH A 316 57.845 13.947 52.251 1.00 49.55 O HETATM 3518 O HOH A 317 40.029 12.393 20.260 1.00 52.49 O HETATM 3521 O HOH A 318 27.332 24.510 55.002 1.00 39.93 O HETATM 3524 O HOH A 319 54.112 24.173 53.892 1.00 51.66 O HETATM 3527 O HOH A 320 33.011 6.467 62.675 1.00 44.79 O HETATM 3530 O HOH A 321 32.508 28.409 43.596 1.00 21.34 O HETATM 3533 O HOH A 322 32.542 15.400 25.090 1.00 36.67 O HETATM 3536 O HOH A 323 46.980 8.157 26.156 1.00 38.53 O HETATM 3539 O HOH A 324 26.366 -2.521 37.526 1.00 69.24 O HETATM 3542 O HOH A 325 42.714 16.320 52.261 1.00 21.96 O HETATM 3545 O HOH A 326 46.149 18.654 53.909 1.00 41.06 O HETATM 3548 O HOH A 327 44.282 19.264 51.113 1.00 36.91 O HETATM 3551 O HOH A 328 42.470 0.752 41.747 1.00 54.53 O HETATM 3554 O HOH A 329 51.857 25.256 55.663 1.00 44.14 O HETATM 3557 O HOH A 330 56.538 8.266 32.115 1.00 38.54 O HETATM 3560 O HOH A 332 41.185 29.818 49.206 1.00 36.71 O HETATM 3563 O HOH A 333 36.545 24.403 57.296 1.17 48.12 O HETATM 3566 O HOH A 334 37.321 0.996 39.363 1.00 48.28 O HETATM 3569 O HOH A 335 36.727 29.996 58.124 1.00 45.81 O HETATM 3572 O HOH A 336 39.762 27.542 48.473 1.00 46.31 O HETATM 3575 O HOH A 337 41.969 23.424 50.443 1.00 40.10 O HETATM 3578 O HOH A 338 26.072 17.076 58.883 1.00 46.81 O HETATM 3581 O HOH A 339 24.683 14.687 61.119 1.00 45.19 O HETATM 3584 O HOH A 340 22.104 17.726 59.233 1.00 53.30 O HETATM 3587 O HOH A 341 27.112 25.027 34.550 1.00 47.31 O HETATM 3590 O HOH A 342 26.277 27.883 31.236 1.00 52.17 O HETATM 3593 O HOH A 344 36.025 -1.316 40.739 1.00 48.98 O HETATM 3596 O HOH A 345 40.443 32.979 25.045 1.00 51.06 O HETATM 3599 O HOH A 346 38.885 31.564 36.912 1.00 40.82 O HETATM 3602 O HOH A 348 31.542 25.436 60.684 1.00 25.88 O HETATM 3605 O HOH A 349 29.953 28.047 59.454 1.00 52.22 O HETATM 3608 O HOH A 351 37.014 30.094 55.377 1.00 22.18 O HETATM 3611 O HOH A 355 54.731 -1.546 30.943 1.00 56.36 O HETATM 3614 O HOH A 356 46.884 -0.360 25.949 1.00 47.31 O HETATM 3617 O HOH A 357 40.470 1.780 37.447 1.00 52.73 O HETATM 3620 O HOH A 358 38.878 2.453 31.690 1.00 30.48 O HETATM 3623 O HOH A 359 59.086 6.501 53.009 1.00 52.57 O HETATM 3626 O CHOH A 360 25.498 -0.046 37.405 0.50 59.20 O HETATM 3629 O HOH A 362 30.855 4.058 38.159 1.00 33.44 O HETATM 3632 O HOH A 363 49.100 25.577 57.372 1.00 42.79 O HETATM 3635 O HOH A 364 43.250 6.153 65.109 1.00 52.64 O HETATM 3638 O HOH A 373 37.674 -1.848 58.147 1.00 30.13 O HETATM 3641 O HOH A 374 41.666 -2.268 54.029 1.00 36.57 O HETATM 3644 O HOH A 376 23.454 12.726 45.598 1.00 27.07 O HETATM 3647 O HOH A 378 45.691 18.296 57.090 1.00 44.12 O HETATM 3650 O HOH A 379 54.814 4.505 54.724 1.00 56.99 O HETATM 3653 O HOH A 380 44.532 -1.651 70.653 1.00 50.01 O HETATM 3656 O HOH A 381 41.855 -1.899 71.441 1.00 44.36 O HETATM 3659 O HOH A 382 31.348 30.117 60.798 1.00 39.66 O HETATM 3662 O HOH A 383 58.019 29.653 59.128 1.00 58.64 O HETATM 3665 O HOH A 385 25.907 7.903 54.389 1.00 65.16 O HETATM 3668 O HOH A 387 58.283 10.944 51.200 1.00 52.00 O HETATM 3671 O HOH A 390 31.626 13.226 59.085 1.00 34.20 O HETATM 3674 O HOH A 392 56.995 13.218 56.992 1.00 53.91 O HETATM 3677 O HOH A 393 48.296 23.182 25.457 1.00 41.96 O HETATM 3680 O HOH A 395 62.640 19.962 29.163 1.00 25.74 O HETATM 3683 O HOH A 396 33.034 5.548 36.950 1.00 30.31 O HETATM 3686 O HOH A 397 65.720 16.470 33.107 1.00 44.24 O HETATM 3689 O HOH A 398 61.627 8.055 33.509 1.00 65.66 O HETATM 3692 O HOH A 400 24.612 20.121 53.195 1.00 37.26 O HETATM 3695 O HOH A 401 23.243 31.040 59.503 1.00 48.51 O HETATM 3698 O HOH A 402 17.233 17.252 45.636 1.00 59.41 O HETATM 3701 O HOH A 403 58.965 13.892 49.097 1.00 51.23 O HETATM 3704 O HOH A 404 17.983 32.990 60.023 1.00 48.65 O HETATM 3707 O HOH A 406 17.539 25.325 59.595 1.00 26.62 O HETATM 3710 O HOH A 407 18.708 34.011 57.364 1.00 54.82 O HETATM 3713 O HOH A 413 44.950 21.787 52.481 1.00 44.03 O HETATM 3716 O HOH A 414 44.758 24.695 56.477 1.00 28.71 O HETATM 3719 O HOH A 415 49.199 31.805 50.094 1.00 36.99 O HETATM 3722 O HOH A 416 38.746 27.182 57.991 1.00 47.50 O HETATM 3725 O HOH A 417 33.764 29.154 58.455 1.00 52.72 O HETATM 3728 O HOH A 418 22.648 18.057 23.878 1.00 56.94 O HETATM 3731 O HOH A 419 20.615 18.435 26.008 1.00 53.90 O HETATM 3734 O HOH A 423 26.274 0.498 40.157 1.00 62.20 O HETATM 3737 O HOH A 430 47.317 18.870 69.039 1.00 61.52 O HETATM 3740 O HOH A 435 32.505 36.945 45.591 1.00 57.33 O HETATM 3743 O HOH A 439 22.030 33.187 54.760 1.00 55.18 O HETATM 3746 O HOH A 440 24.282 34.717 54.130 1.00 50.66 O HETATM 3749 O HOH A 442 22.074 23.959 51.362 1.00 65.01 O HETATM 3752 O HOH A 444 21.507 24.561 55.189 1.00 55.64 O HETATM 3755 O HOH A 445 36.745 31.867 42.128 1.00 50.87 O HETATM 3758 O HOH A 448 50.401 22.896 43.070 1.00 52.41 O HETATM 3761 O HOH A 449 33.746 6.906 65.705 1.00 48.52 O HETATM 3764 O HOH A 450 44.201 4.668 67.465 1.00 53.40 O HETATM 3767 O HOH A 452 46.310 25.521 53.973 1.00 51.54 O HETATM 3770 O HOH A 453 60.730 13.264 43.559 1.00 55.23 O HETATM 3773 O HOH A 455 59.566 11.444 48.064 1.00 52.74 O HETATM 3776 O HOH A 456 63.185 11.167 46.720 1.00 48.34 O HETATM 3779 O HOH A 457 62.172 13.568 49.992 1.00 53.48 O HETATM 3782 O HOH A 466 28.535 29.582 56.474 1.00 41.33 O HETATM 3785 O HOH A 471 38.382 33.319 26.866 1.00 55.95 O HETATM 3788 O HOH A 489 25.182 23.348 33.774 1.00 40.96 O HETATM 3791 O HOH A 490 55.978 -5.068 68.704 1.00 54.72 O HETATM 3794 O HOH A 500 65.799 3.575 27.223 1.00 52.74 O HETATM 3797 O HOH A 501 23.827 9.410 46.298 1.00 38.07 O HETATM 3800 O HOH A 502 22.738 6.091 42.676 1.00 46.19 O HETATM 3803 O HOH A 508 43.052 0.293 66.951 1.00 47.40 O HETATM 3806 O HOH A 512 27.187 23.053 58.274 1.00 52.28 O HETATM 3809 O HOH A 519 34.583 -4.176 41.552 1.00 48.38 O HETATM 3812 O HOH A 523 45.957 1.937 40.537 1.00 42.67 O HETATM 3815 O HOH A 527 69.875 6.865 36.558 1.00 47.89 O HETATM 3818 O HOH A 532 46.611 30.524 43.841 1.00 53.17 O HETATM 3821 O HOH A 533 40.196 13.647 22.786 1.00 51.39 O HETATM 3824 O HOH A 536 32.114 31.569 46.891 1.00 47.02 O HETATM 3827 O HOH A 550 24.603 4.588 45.331 1.00 44.81 O HETATM 3830 O HOH A 553 23.804 34.361 58.105 1.00 54.51 O HETATM 3833 O HOH A 579 37.248 10.945 20.729 1.00 55.36 O HETATM 3836 O HOH A 594 42.169 0.053 48.941 1.00 50.97 O HETATM 3839 O HOH A 601 18.042 19.155 25.441 1.00 55.95 O HETATM 3842 O HOH A 611 66.420 14.767 28.465 1.00 51.46 O HETATM 3845 O HOH A 612 32.424 39.757 45.802 1.00 52.58 O HETATM 3848 O HOH A 617 25.338 27.110 47.139 1.00 45.50 O HETATM 3851 O HOH A 623 44.453 0.487 37.754 1.00 51.38 O HETATM 3854 O HOH A 624 36.548 26.184 31.541 1.00 59.21 O HETATM 3857 O HOH A 627 45.035 25.489 43.771 1.00 60.56 O HETATM 3860 O HOH A 629 63.160 12.776 52.606 1.00 57.51 O HETATM 3863 O HOH A 636 33.680 26.099 32.432 1.00 59.06 O HETATM 3866 O HOH A 638 26.085 19.937 58.705 1.00 54.80 O HETATM 3869 O HOH A 646 51.767 -1.824 46.303 1.00 60.92 O HETATM 3872 O HOH A 662 21.664 16.750 45.344 1.00 67.31 O HETATM 3875 O HOH A 664 38.788 23.959 67.758 1.00 55.66 O HETATM 3878 O HOH A 667 22.896 19.086 27.569 1.00 58.05 O HETATM 3881 O HOH A 675 34.060 2.419 25.437 1.00 51.93 O HETATM 3884 O HOH A 677 38.541 9.541 69.262 1.00 49.28 O HETATM 3887 O HOH A 686 40.360 30.395 44.935 1.00 57.83 O HETATM 3890 O HOH A 688 31.260 17.866 25.467 1.00 48.15 O HETATM 3893 O HOH A 697 51.664 4.210 54.434 1.00 54.04 O HETATM 3896 O HOH A 734 57.832 -1.629 43.975 1.00 73.30 O HETATM 3899 O HOH A 735 57.213 -2.780 48.479 1.00 60.44 O HETATM 3902 O HOH A 736 60.062 8.352 51.165 1.00 63.52 O HETATM 3905 O HOH A 737 54.105 0.867 44.450 1.00 61.85 O HETATM 3908 O HOH A 738 59.823 4.133 47.218 1.00 58.33 O HETATM 3911 O HOH A 740 50.359 20.013 42.998 1.00 62.50 O HETATM 3914 O CHOH A 760 24.965 -0.064 36.983 0.50 56.68 O HETATM 3917 O HOH A 781 25.790 2.989 42.362 1.00 43.44 O HETATM 3920 O CHOH A 786 41.289 23.705 18.565 0.50 59.39 O HETATM 3923 O HOH A 789 49.061 28.020 24.638 1.00 44.89 O HETATM 3926 O HOH A 791 49.009 2.646 41.823 1.00 46.97 O HETATM 3929 O HOH A 793 20.450 20.153 51.210 1.00 53.68 O HETATM 3932 O HOH A 808 48.079 19.253 21.788 1.00 54.39 O HETATM 3935 O HOH A 817 24.096 4.275 34.000 1.00 40.68 O HETATM 3938 O HOH A 819 29.770 0.114 38.506 1.00 50.79 O HETATM 3941 O HOH A 824 16.175 15.593 34.844 1.00 49.95 O HETATM 3944 O HOH A 830 30.716 16.633 19.864 1.00 39.60 O HETATM 3947 O HOH A 832 65.721 17.472 24.956 1.00 41.17 O HETATM 3950 O HOH A 835 59.560 20.365 69.109 1.00 58.40 O HETATM 3953 O HOH A 839 43.222 -2.740 50.151 1.00 44.35 O HETATM 3956 O HOH A 844 48.327 1.976 26.574 1.00 46.80 O HETATM 3959 O HOH A 851 33.154 34.151 45.650 1.00 50.18 O HETATM 3962 O HOH A 852 45.508 0.991 48.991 1.00 51.86 O HETATM 3965 O HOH A 853 19.692 17.390 23.499 1.00 48.16 O HETATM 3968 O HOH A 858 33.807 7.617 57.252 1.00 55.62 O HETATM 3971 O HOH A 861 19.658 4.970 35.512 1.00 51.16 O HETATM 3974 O HOH A 866 24.248 11.125 60.391 1.00 48.98 O CONECT 92 2067 CONECT 338 3325 CONECT 371 616 CONECT 603 3324 CONECT 616 371 CONECT 804 3322 CONECT 827 3322 CONECT 874 3322 CONECT 947 3322 CONECT 1683 3098 CONECT 1762 2698 CONECT 2067 92 CONECT 2225 2432 CONECT 2432 2225 CONECT 2578 2886 CONECT 2603 3325 CONECT 2698 1762 CONECT 2886 2578 CONECT 3098 1683 CONECT 3322 804 827 874 947 CONECT 3322 3389 3494 CONECT 3323 3325 CONECT 3324 603 3575 CONECT 3325 338 2603 3323 3911 CONECT 3389 3322 CONECT 3494 3322 CONECT 3575 3324 CONECT 3911 3325 END