USER MOD reduce.3.24.130724 H: found=0, std=0, add=1636, rem=0, adj=64 USER MOD reduce.3.24.130724 removed 2063 hydrogens (426 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2M 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 1C2M 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2M 1 VERSN REVDAT 2 26-SEP-01 1C2M 3 ATOM REVDAT 1 26-JUL-00 1C2M 0 JRNL AUTH B.A.KATZ,J.M.CLARK,J.S.FINER-MOORE,T.E.JENKINS, JRNL AUTH 2 C.R.JOHNSON,M.J.ROSS,C.LUONG,W.R.MOORE,R.M.STROUD JRNL TITL DESIGN OF POTENT SELECTIVE ZINC-MEDIATED SERINE JRNL TITL 2 PROTEASE INHIBITORS. JRNL REF NATURE V. 391 608 1998 JRNL REFN ISSN 0028-0836 JRNL PMID 9468142 JRNL DOI 10.1038/35422 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.700 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 74.0 REMARK 3 NUMBER OF REFLECTIONS : 28118 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 : 0.234 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2864 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.46 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 37.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1571 REMARK 3 BIN R VALUE (WORKING SET) : 0.4130 REMARK 3 BIN FREE R VALUE : 0.4220 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 178 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 : 3297 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 8 REMARK 3 SOLVENT ATOMS : 639 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) : 3.70 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.20 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.52 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_TRZN498.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_TRZN498.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 1C2M 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 RCSB001259. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-APR-98 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 4.98 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 : 32374 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.330 REMARK 200 RESOLUTION RANGE LOW (A) : 35.840 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.500 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 74.0 REMARK 200 DATA REDUNDANCY : 2.300 REMARK 200 R MERGE (I) : 0.08500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.46 REMARK 200 COMPLETENESS FOR SHELL (%) : 37.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.34500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.600 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): 2.03 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) THE CRYSTAL WAS SOAKED FOR 25 DAYS IN 2.11 M ZN+2, 250 REMARK 280 MM CL-, PH 4.86 IN THE ABSENCE OF AN INHIBITOR. THIS SOLUTION REMARK 280 WAS REPLACED ONCE EVERY DAY OR TWO TO REMOVE BOUND BENZAMIDINE REMARK 280 AND TO INCORPORATE ZN+2 AT THE ACTIVE SITE. IT WAS THEN SOAKED REMARK 280 IN CHLORIDE-FREE SOLUTION OF 1.02 MGSO4 . 7H2O, 1.62 M ZNSO4 . REMARK 280 7 H2O, 0.50 M ZINC ACETATE DIHYDRATE, PH 4.98 FOR 10 DAYS REMARK 280 DURING WHICH THE SOAKING SOLUTION WAS REPLACED ONCE A DAY. 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 36.41000 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 72.82000 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 72.82000 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 36.41000 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 436 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 386 LIES ON A SPECIAL POSITION. REMARK 400 REMARK 400 COMPOUND REMARK 400 HIS91 IS MONOPROTONATED ON THE EPSILON NITROGEN. REMARK 400 HIS40 IS DIPROTONATED. REMARK 400 HIS57 HAS A MONOPROTONATED COMPONENT (PROTON ON ND1), REMARK 400 COORDINATING ZN+2 THROUGH NE2, AND A DIPROTONATED COMPONENT. REMARK 400 THE PARTIAL OCCUPANCY OF ZN+2 REFLECTS THE PARTIAL REMARK 400 OCCUPANCY OF THE MONOPROTONATED HIS57 COMPONENT THAT REMARK 400 COORDINATES THE ZN+2. 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 HG SER A 32 H2 HOH A 255 1.47 REMARK 500 HD21 ASN A 48 H GLN A 50 1.50 REMARK 500 H1 HOH A 418 H1 HOH A 419 1.53 REMARK 500 OG1 THR A 125 H2 HOH A 298 1.54 REMARK 500 O SER A 214 H1 HOH A 337 1.57 REMARK 500 OG SER A 49 H2 HOH A 286 1.58 REMARK 500 O LYS A 224 H2 HOH A 260 1.58 REMARK 500 OG SER A 32 H2 HOH A 255 1.59 REMARK 500 O GLY A 216 H1 HOH A 414 1.60 REMARK 500 O SER A 217 H1 HOH A 252 1.60 REMARK 500 O GLY A 18 H2 HOH A 359 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 GLY A 203 H2 HOH A 699 4546 1.55 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 40 NE2 HIS A 40 CD2 -0.070 REMARK 500 HIS A 91 NE2 HIS A 91 CD2 -0.081 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 9.0 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CZ2 ANGL. DEV. = 9.2 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CD2 ANGL. DEV. = -6.8 DEGREES REMARK 500 ARG A 117 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 7.5 DEGREES REMARK 500 ASP A 189 CB - CG - OD1 ANGL. DEV. = -6.6 DEGREES REMARK 500 VAL A 199 N - CA - C ANGL. DEV. = -16.2 DEGREES REMARK 500 TRP A 215 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.3 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 8.8 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 71 -75.83 -131.00 REMARK 500 ASP A 189 169.71 178.42 REMARK 500 ALA A 221A 28.44 46.14 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 308 DISTANCE = 5.03 ANGSTROMS REMARK 525 HOH A 340 DISTANCE = 5.76 ANGSTROMS REMARK 525 HOH A 342 DISTANCE = 5.77 ANGSTROMS REMARK 525 HOH A 344 DISTANCE = 5.64 ANGSTROMS REMARK 525 HOH A 345 DISTANCE = 8.81 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 12.28 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.67 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.48 ANGSTROMS REMARK 525 HOH A 386 DISTANCE = 5.95 ANGSTROMS REMARK 525 HOH A 397 DISTANCE = 6.67 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.30 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 13.00 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.21 ANGSTROMS REMARK 525 HOH A 407 DISTANCE = 12.04 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 10.88 ANGSTROMS REMARK 525 HOH A 527 DISTANCE = 12.61 ANGSTROMS REMARK 525 HOH A 553 DISTANCE = 9.32 ANGSTROMS REMARK 525 HOH A 611 DISTANCE = 9.30 ANGSTROMS REMARK 525 HOH A 612 DISTANCE = 7.28 ANGSTROMS REMARK 525 HOH A 631 DISTANCE = 7.55 ANGSTROMS REMARK 525 HOH A 699 DISTANCE = 10.66 ANGSTROMS REMARK 525 HOH A 735 DISTANCE = 5.69 ANGSTROMS REMARK 525 HOH A 747 DISTANCE = 5.31 ANGSTROMS REMARK 525 HOH A 757 DISTANCE = 6.54 ANGSTROMS REMARK 525 HOH A 764 DISTANCE = 6.85 ANGSTROMS REMARK 525 HOH A 765 DISTANCE = 8.02 ANGSTROMS REMARK 525 HOH A 827 DISTANCE = 10.90 ANGSTROMS REMARK 525 HOH A 847 DISTANCE = 10.32 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 VAL A 75 O REMARK 620 2 GLU A 80 OE2 93.4 REMARK 620 3 HOH A 309 O 102.4 76.8 REMARK 620 4 GLU A 70 OE1 159.0 105.2 91.5 REMARK 620 5 ASN A 72 O 87.6 168.6 91.8 76.1 REMARK 620 6 HOH A 271 O 87.7 94.1 166.7 81.4 97.3 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 HIS A 57 NE2 REMARK 620 2 HOH A 337 O 82.8 REMARK 620 3 HOH A 467 O 125.9 149.8 REMARK 620 4 SER A 195 OG 86.8 122.4 73.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 410 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 326 O REMARK 620 2 HOH A 378 O 77.6 REMARK 620 3 ASP A 189 OD2 124.8 88.3 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 410 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 646 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RELATED ID: 1C2F RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RELATED ID: 1C2E 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 1C2M 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 ZN A 409 1 HET MG A 410 1 HET SO4 A 646 5 HETNAM CA CALCIUM ION HETNAM ZN ZINC ION HETNAM MG MAGNESIUM ION HETNAM SO4 SULFATE ION FORMUL 2 CA CA 2+ FORMUL 3 ZN ZN 2+ FORMUL 4 MG MG 2+ FORMUL 5 SO4 O4 S 2- FORMUL 6 HOH *213(H2 O) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 TYR A 234 SER A 244 1 11 SHEET 1 A 7 TYR A 20 THR A 21 0 SHEET 2 A 7 LYS A 156 PRO A 161 -1 N CYS A 157 O TYR A 20 SHEET 3 A 7 GLN A 135 GLY A 140 -1 N CYS A 136 O ALA A 160 SHEET 4 A 7 PRO A 198 CYS A 201 -1 O PRO A 198 N SER A 139 SHEET 5 A 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 B 7 GLN A 30 ASN A 34 -1 N VAL A 31 O GLY A 44 SHEET 4 B 7 GLN A 64 LEU A 67 -1 O GLN A 64 N ASN A 34 SHEET 5 B 7 GLN A 81 VAL A 90 -1 O GLN A 81 N LEU A 67 SHEET 6 B 7 MET A 104 LEU A 108 -1 O LEU A 105 N ILE A 89 SHEET 7 B 7 TRP A 51 SER A 54 -1 O VAL A 52 N ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.02 SSBOND *** CYS A 42 CYS A 58 1555 1555 1.99 SSBOND *** CYS A 128 CYS A 232 1555 1555 1.99 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.03 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.02 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.02 LINK CA CA A 247 O VAL A 75 1555 1555 2.20 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.35 LINK CA CA A 247 O HOH A 309 1555 1555 2.31 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.41 LINK CA CA A 247 O ASN A 72 1555 1555 2.39 LINK CA CA A 247 O HOH A 271 1555 1555 2.31 LINK ZN A ZN A 409 NE2AHIS A 57 1555 1555 2.29 LINK ZN A ZN A 409 O HOH A 337 1555 1555 2.50 LINK ZN A ZN A 409 O HOH A 467 1555 1555 2.48 LINK ZN A ZN A 409 OG SER A 195 1555 1555 2.28 LINK MG MG A 410 O HOH A 326 1555 1555 2.29 LINK MG MG A 410 O HOH A 378 1555 1555 1.96 LINK MG MG A 410 OD2 ASP A 189 1555 1555 3.14 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 4 HIS A 57 SER A 195 HOH A 337 HOH A 467 SITE *** AC3 6 ASP A 189 SER A 190 GLY A 216 GLY A 226 SITE *** AC3 6 HOH A 326 HOH A 378 SITE *** AC4 3 ASN A 79 ARG A 117 LYS A 159 CRYST1 54.850 54.850 109.230 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 0.018232 0.010526 0.000000 0.00000 SCALE2 0.000000 0.021052 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009155 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 57 HIS HE2A: A 57 HIS NE2A: A 409 ZNZN A:(H bumps) USER MOD Set 1.1: A 190 SER OG : rot -115:sc= 0.802 USER MOD Set 1.2: A 228 TYR OH : rot -30:sc= 1.79 USER MOD Set 2.1: A 164 SER OG : rot 117:sc= 0.837 USER MOD Set 2.2: A 166 SER OG : rot 180:sc= 0.327 USER MOD Set 2.3: A 167 SER OG : rot -97:sc= 0.456 USER MOD Set 3.1: A 144 THR OG1 : rot 180:sc= -0.344 USER MOD Set 3.2: A 145 LYS NZ :NH3+ -161:sc= -0.0244 (180deg=-0.199) USER MOD Set 4.1: A 30 GLN : amide:sc= -2.07! K(o=-3.4!,f=2.9) USER MOD Set 4.2: A 139 SER OG : rot -100:sc= -1.32! USER MOD Set 5.1: A 100 ASN : amide:sc= 0.738 K(o=2.8,f=-1.2) USER MOD Set 5.2: A 101 ASN : amide:sc= 1.16 K(o=2.8,f=1.6) USER MOD Set 5.3: A 177 THR OG1 : rot 174:sc= 0.729 USER MOD Set 5.4: A 179 ASN : amide:sc= 0.47 K(o=2.8,f=1.1) USER MOD Set 5.5: A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.6: A 233 ASN : amide:sc= 0.431 K(o=2.8,f=1.1) USER MOD Set 5.7: A 234 TYR OH : rot 8:sc= -0.765 USER MOD Set 6.1: A 87 LYS NZ :NH3+ -150:sc= 0.402 (180deg=0) USER MOD Set 6.2: A 245 ASN : amide:sc= 0.884 K(o=1.3,f=-2.9) USER MOD Set 7.1: A 37 SER OG : rot -92:sc= 0.344 USER MOD Set 7.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 7.3: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 32 SER OG : rot 61:sc= 2.47 USER MOD Set 8.2: A 40 HIS : no HD1:sc= 1.49 K(o=4,f=-6.4!) USER MOD Set 9.1: A 21 THR OG1 : rot 132:sc= 0.393 USER MOD Set 9.2: A 156 LYS NZ :NH3+ -178:sc= 0.425 (180deg=0) USER MOD Set10.1: A 20 TYR OH : rot 30:sc= -0.0456 USER MOD Set10.2: A 159 LYS NZ :NH3+ 167:sc= -0.0469 (180deg=-0.21) USER MOD Single : A 25 ASN : amide:sc= 0.92 K(o=0.92,f=-3.3!) USER MOD Single : A 26 THR OG1 : rot -87:sc= 0.236 USER MOD Single : A 29 TYR OH : rot -13:sc= 1.57 USER MOD Single : A 34 ASN : amide:sc= 0.653 K(o=0.65,f=-1.8!) USER MOD Single : A 45 SER OG : rot 95:sc= -1.19! USER MOD Single : A 48 ASN : amide:sc= -5.97! K(o=-6!,f=-0.17) USER MOD Single : A 49 SER OG : rot -99:sc= 1.25 USER MOD Single : A 50 GLN A: amide:sc= 1.24 X(o=1.2,f=1.7) USER MOD Single : A 50 GLN B: amide:sc= 0.611 K(o=0.61,f=-1.4!) USER MOD Single : A 54 SER OG : rot 102:sc= 1.02 USER MOD Single : A 57 HIS B: no HE2:sc= -0.0531 K(o=-0.053,f=-5.1!) 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= -0.0743 K(o=-0.074,f=-6.9!) USER MOD Single : A 72 ASN : amide:sc= -0.0325 K(o=-0.032,f=-10!) USER MOD Single : A 74 ASN : amide:sc= 0.778 K(o=0.78,f=-1.2!) USER MOD Single : A 79 ASN : amide:sc= -0.625 X(o=-0.62,f=-0.33) USER MOD Single : A 81 GLN : amide:sc= 0.927 K(o=0.93,f=-4.4!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 1.06 K(o=1.1,f=-5.6!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -30:sc= 1.28 USER MOD Single : A 95 ASN : amide:sc= -0.2 K(o=-0.2,f=-9.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00168 USER MOD Single : A 97 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.0037) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 104 MET CE A:methyl -126:sc= -0.506 (180deg=-1.6) USER MOD Single : A 104 MET CE B:methyl -160:sc= -1.56 (180deg=-2.07) USER MOD Single : A 107 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.1) 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= -0.0785 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.109 K(o=0.11,f=-8.5!) USER MOD Single : A 116 SER OG : rot 109:sc= 0.0534 USER MOD Single : A 120 SER OG : rot 180:sc= 0.011 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 58:sc= 1.02 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 134 THR OG1 : rot 91:sc= 1.04 USER MOD Single : A 135 GLN : amide:sc= -0.957 X(o=-0.96,f=-1) USER MOD Single : A 143 ASN : amide:sc= 0.892 K(o=0.89,f=-6.4!) USER MOD Single : A 146 SER OG : rot 83:sc= 0.064 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 103:sc= 1.27 USER MOD Single : A 172 TYR OH : rot 16:sc= 1.2 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 178 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 184 TYR OH : rot 8:sc= 0.827 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 GLN : amide:sc= 1.27 K(o=1.3,f=1.8) USER MOD Single : A 214 SER OG : rot 57:sc= 2.32 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.05) USER MOD Single : A 224 LYS NZ :NH3+ 159:sc= 0.242 (180deg=0.128) USER MOD Single : A 229 THR OG1 : rot -168:sc= 0.73 USER MOD Single : A 230 LYS NZ :NH3+ 173:sc= 0.3 (180deg=0.279) USER MOD Single : A 236 SER OG : rot 105:sc= 0.906 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 88:sc= 0.388 USER MOD Single : A 244 SER OG : rot 86:sc= 0.481 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.881 15.828 48.334 1.00 19.83 N ATOM 2 CA ILE A 16 51.721 14.614 49.201 1.00 23.47 C ATOM 3 C ILE A 16 53.017 14.606 50.030 1.00 23.60 C ATOM 4 O ILE A 16 54.076 14.761 49.447 1.00 22.40 O ATOM 5 CB ILE A 16 51.648 13.253 48.346 1.00 24.74 C ATOM 6 CG1 ILE A 16 50.421 13.171 47.341 1.00 24.75 C ATOM 7 CG2 ILE A 16 51.614 11.976 49.268 1.00 24.99 C ATOM 8 CD1 ILE A 16 49.063 12.965 48.084 1.00 24.72 C ATOM 0 HA ILE A 16 50.901 14.652 49.718 1.00 23.47 H new ATOM 0 HB ILE A 16 52.463 13.271 47.820 1.00 24.74 H new ATOM 0 HG12 ILE A 16 50.380 13.985 46.816 1.00 24.75 H new ATOM 0 HG13 ILE A 16 50.562 12.440 46.720 1.00 24.75 H new ATOM 0 HG21 ILE A 16 51.570 11.179 48.716 1.00 24.99 H new ATOM 0 HG22 ILE A 16 52.416 11.948 49.812 1.00 24.99 H new ATOM 0 HG23 ILE A 16 50.834 12.013 49.844 1.00 24.99 H new ATOM 0 HD11 ILE A 16 48.343 12.921 47.436 1.00 24.72 H new ATOM 0 HD12 ILE A 16 49.093 12.138 48.590 1.00 24.72 H new ATOM 0 HD13 ILE A 16 48.908 13.708 48.688 1.00 24.72 H new ATOM 22 N VAL A 17 52.878 14.419 51.315 1.00 24.62 N ATOM 23 CA VAL A 17 54.055 14.392 52.229 1.00 26.12 C ATOM 24 C VAL A 17 54.176 12.962 52.777 1.00 26.44 C ATOM 25 O VAL A 17 53.162 12.396 53.150 1.00 26.17 O ATOM 26 CB VAL A 17 53.806 15.374 53.403 1.00 27.36 C ATOM 27 CG1 VAL A 17 55.040 15.478 54.305 1.00 27.46 C ATOM 28 CG2 VAL A 17 53.375 16.780 52.915 1.00 29.76 C ATOM 0 H VAL A 17 52.121 14.303 51.705 1.00 24.62 H new ATOM 0 HA VAL A 17 54.865 14.652 51.764 1.00 26.12 H new ATOM 0 HB VAL A 17 53.071 15.008 53.920 1.00 27.36 H new ATOM 0 HG11 VAL A 17 54.860 16.097 55.030 1.00 27.46 H new ATOM 0 HG12 VAL A 17 55.249 14.604 54.670 1.00 27.46 H new ATOM 0 HG13 VAL A 17 55.794 15.799 53.786 1.00 27.46 H new ATOM 0 HG21 VAL A 17 53.231 17.358 53.680 1.00 29.76 H new ATOM 0 HG22 VAL A 17 54.071 17.155 52.353 1.00 29.76 H new ATOM 0 HG23 VAL A 17 52.553 16.708 52.405 1.00 29.76 H new ATOM 38 N GLY A 18 55.382 12.459 52.788 1.00 26.24 N ATOM 39 CA GLY A 18 55.681 11.085 53.301 1.00 26.58 C ATOM 40 C GLY A 18 55.141 10.017 52.410 1.00 27.40 C ATOM 41 O GLY A 18 54.876 8.942 52.911 1.00 29.42 O ATOM 0 H GLY A 18 56.074 12.883 52.503 1.00 26.24 H new ATOM 0 HA2 GLY A 18 56.641 10.976 53.387 1.00 26.58 H new ATOM 0 HA3 GLY A 18 55.303 10.984 54.189 1.00 26.58 H new ATOM 45 N GLY A 19 55.003 10.303 51.142 1.00 28.55 N ATOM 46 CA GLY A 19 54.457 9.298 50.163 1.00 26.98 C ATOM 47 C GLY A 19 55.569 8.804 49.291 1.00 27.31 C ATOM 48 O GLY A 19 56.723 9.090 49.566 1.00 29.32 O ATOM 0 H GLY A 19 55.209 11.062 50.795 1.00 28.55 H new ATOM 0 HA2 GLY A 19 54.050 8.556 50.638 1.00 26.98 H new ATOM 0 HA3 GLY A 19 53.762 9.703 49.621 1.00 26.98 H new ATOM 52 N TYR A 20 55.231 8.076 48.270 1.00 27.63 N ATOM 53 CA TYR A 20 56.285 7.552 47.361 1.00 26.75 C ATOM 54 C TYR A 20 55.969 7.915 45.923 1.00 25.92 C ATOM 55 O TYR A 20 54.895 8.422 45.685 1.00 26.36 O ATOM 56 CB TYR A 20 56.345 6.043 47.558 1.00 26.81 C ATOM 57 CG TYR A 20 55.015 5.351 47.293 1.00 25.72 C ATOM 58 CD1 TYR A 20 54.772 4.797 46.054 1.00 26.00 C ATOM 59 CD2 TYR A 20 54.047 5.258 48.286 1.00 26.10 C ATOM 60 CE1 TYR A 20 53.581 4.153 45.799 1.00 27.63 C ATOM 61 CE2 TYR A 20 52.851 4.613 48.032 1.00 26.29 C ATOM 62 CZ TYR A 20 52.603 4.054 46.784 1.00 28.55 C ATOM 63 OH TYR A 20 51.399 3.426 46.519 1.00 30.11 O ATOM 0 H TYR A 20 54.425 7.861 48.063 1.00 27.63 H new ATOM 0 HA TYR A 20 57.148 7.944 47.565 1.00 26.75 H new ATOM 0 HB2 TYR A 20 57.019 5.672 46.968 1.00 26.81 H new ATOM 0 HB3 TYR A 20 56.627 5.852 48.466 1.00 26.81 H new ATOM 0 HD1 TYR A 20 55.416 4.858 45.386 1.00 26.00 H new ATOM 0 HD2 TYR A 20 54.204 5.631 49.123 1.00 26.10 H new ATOM 0 HE1 TYR A 20 53.429 3.781 44.960 1.00 27.63 H new ATOM 0 HE2 TYR A 20 52.208 4.553 48.701 1.00 26.29 H new ATOM 0 HH TYR A 20 51.516 2.827 45.942 1.00 30.11 H new ATOM 73 N THR A 21 56.867 7.658 45.011 1.00 25.34 N ATOM 74 CA THR A 21 56.619 7.984 43.585 1.00 26.36 C ATOM 75 C THR A 21 55.766 6.790 43.131 1.00 28.00 C ATOM 76 O THR A 21 56.199 5.654 43.246 1.00 27.56 O ATOM 77 CB THR A 21 57.964 8.034 42.895 1.00 27.90 C ATOM 78 OG1 THR A 21 58.677 9.071 43.580 1.00 26.92 O ATOM 79 CG2 THR A 21 57.846 8.392 41.405 1.00 27.87 C ATOM 0 H THR A 21 57.631 7.297 45.171 1.00 25.34 H new ATOM 0 HA THR A 21 56.180 8.829 43.401 1.00 26.36 H new ATOM 0 HB THR A 21 58.402 7.169 42.928 1.00 27.90 H new ATOM 0 HG1 THR A 21 59.445 8.797 43.782 1.00 26.92 H new ATOM 0 HG21 THR A 21 58.730 8.412 41.006 1.00 27.87 H new ATOM 0 HG22 THR A 21 57.303 7.726 40.954 1.00 27.87 H new ATOM 0 HG23 THR A 21 57.430 9.264 41.313 1.00 27.87 H new ATOM 87 N CYS A 22 54.598 7.082 42.628 1.00 28.27 N ATOM 88 CA CYS A 22 53.666 6.011 42.174 1.00 27.74 C ATOM 89 C CYS A 22 54.222 5.106 41.137 1.00 33.63 C ATOM 90 O CYS A 22 54.260 3.889 41.263 1.00 38.57 O ATOM 91 CB CYS A 22 52.428 6.630 41.612 1.00 25.43 C ATOM 92 SG CYS A 22 51.582 7.801 42.679 1.00 23.22 S ATOM 0 H CYS A 22 54.300 7.883 42.529 1.00 28.27 H new ATOM 0 HA CYS A 22 53.491 5.475 42.963 1.00 27.74 H new ATOM 0 HB2 CYS A 22 52.660 7.081 40.785 1.00 25.43 H new ATOM 0 HB3 CYS A 22 51.807 5.920 41.384 1.00 25.43 H new ATOM 97 N GLY A 23 54.632 5.759 40.110 1.00 33.49 N ATOM 98 CA GLY A 23 55.217 5.057 38.957 1.00 36.07 C ATOM 99 C GLY A 23 54.402 5.682 37.856 1.00 38.42 C ATOM 100 O GLY A 23 53.272 6.116 38.050 1.00 37.54 O ATOM 0 H GLY A 23 54.594 6.614 40.031 1.00 33.49 H new ATOM 0 HA2 GLY A 23 56.167 5.225 38.860 1.00 36.07 H new ATOM 0 HA3 GLY A 23 55.102 4.095 39.007 1.00 36.07 H new ATOM 104 N ALA A 24 55.029 5.696 36.717 1.00 40.51 N ATOM 105 CA ALA A 24 54.361 6.287 35.538 1.00 40.57 C ATOM 106 C ALA A 24 53.101 5.517 35.253 1.00 41.51 C ATOM 107 O ALA A 24 53.113 4.303 35.178 1.00 41.02 O ATOM 108 CB ALA A 24 55.256 6.207 34.294 1.00 41.07 C ATOM 0 H ALA A 24 55.819 5.385 36.581 1.00 40.51 H new ATOM 0 HA ALA A 24 54.171 7.218 35.734 1.00 40.57 H new ATOM 0 HB1 ALA A 24 54.794 6.601 33.537 1.00 41.07 H new ATOM 0 HB2 ALA A 24 56.081 6.691 34.457 1.00 41.07 H new ATOM 0 HB3 ALA A 24 55.459 5.278 34.101 1.00 41.07 H new ATOM 114 N ASN A 25 52.079 6.295 35.114 1.00 41.80 N ATOM 115 CA ASN A 25 50.726 5.794 34.815 1.00 41.72 C ATOM 116 C ASN A 25 50.269 4.570 35.674 1.00 41.04 C ATOM 117 O ASN A 25 49.744 3.603 35.157 1.00 40.92 O ATOM 118 CB ASN A 25 50.726 5.466 33.275 1.00 43.66 C ATOM 119 CG ASN A 25 51.279 6.621 32.349 1.00 42.61 C ATOM 120 OD1 ASN A 25 52.208 6.458 31.580 1.00 41.65 O ATOM 121 ND2 ASN A 25 50.760 7.815 32.359 1.00 42.87 N ATOM 0 H ASN A 25 52.124 7.151 35.187 1.00 41.80 H new ATOM 0 HA ASN A 25 50.074 6.472 35.050 1.00 41.72 H new ATOM 0 HB2 ASN A 25 51.258 4.668 33.127 1.00 43.66 H new ATOM 0 HB3 ASN A 25 49.819 5.257 33.002 1.00 43.66 H new ATOM 0 HD21 ASN A 25 51.077 8.426 31.843 1.00 42.87 H new ATOM 0 HD22 ASN A 25 50.100 7.993 32.881 1.00 42.87 H new ATOM 128 N THR A 26 50.452 4.609 36.972 1.00 39.35 N ATOM 129 CA THR A 26 50.004 3.440 37.836 1.00 36.17 C ATOM 130 C THR A 26 48.635 3.785 38.523 1.00 32.12 C ATOM 131 O THR A 26 47.992 2.948 39.139 1.00 31.24 O ATOM 132 CB THR A 26 51.120 3.159 38.916 1.00 38.86 C ATOM 133 OG1 THR A 26 51.408 4.438 39.484 1.00 38.82 O ATOM 134 CG2 THR A 26 52.462 2.679 38.242 1.00 40.24 C ATOM 0 H THR A 26 50.817 5.261 37.398 1.00 39.35 H new ATOM 0 HA THR A 26 49.877 2.646 37.293 1.00 36.17 H new ATOM 0 HB THR A 26 50.817 2.484 39.543 1.00 38.86 H new ATOM 0 HG1 THR A 26 51.998 4.822 39.026 1.00 38.82 H new ATOM 0 HG21 THR A 26 53.128 2.514 38.928 1.00 40.24 H new ATOM 0 HG22 THR A 26 52.301 1.861 37.746 1.00 40.24 H new ATOM 0 HG23 THR A 26 52.784 3.366 37.637 1.00 40.24 H new ATOM 142 N VAL A 27 48.245 5.028 38.385 1.00 26.43 N ATOM 143 CA VAL A 27 46.983 5.624 38.932 1.00 21.73 C ATOM 144 C VAL A 27 46.354 6.162 37.609 1.00 19.25 C ATOM 145 O VAL A 27 46.333 7.348 37.355 1.00 14.92 O ATOM 146 CB VAL A 27 47.347 6.769 39.902 1.00 19.32 C ATOM 147 CG1 VAL A 27 46.115 7.241 40.623 1.00 21.07 C ATOM 148 CG2 VAL A 27 48.359 6.266 40.931 1.00 20.71 C ATOM 0 H VAL A 27 48.715 5.602 37.950 1.00 26.43 H new ATOM 0 HA VAL A 27 46.403 5.031 39.435 1.00 21.73 H new ATOM 0 HB VAL A 27 47.728 7.502 39.394 1.00 19.32 H new ATOM 0 HG11 VAL A 27 46.351 7.960 41.230 1.00 21.07 H new ATOM 0 HG12 VAL A 27 45.466 7.563 39.978 1.00 21.07 H new ATOM 0 HG13 VAL A 27 45.733 6.505 41.126 1.00 21.07 H new ATOM 0 HG21 VAL A 27 48.587 6.986 41.540 1.00 20.71 H new ATOM 0 HG22 VAL A 27 47.973 5.530 41.431 1.00 20.71 H new ATOM 0 HG23 VAL A 27 49.160 5.962 40.476 1.00 20.71 H new ATOM 158 N PRO A 28 45.870 5.295 36.763 1.00 18.58 N ATOM 159 CA PRO A 28 45.448 5.703 35.391 1.00 16.94 C ATOM 160 C PRO A 28 44.234 6.644 35.351 1.00 15.87 C ATOM 161 O PRO A 28 43.993 7.263 34.337 1.00 16.83 O ATOM 162 CB PRO A 28 45.188 4.350 34.656 1.00 17.82 C ATOM 163 CG PRO A 28 44.742 3.376 35.854 1.00 18.03 C ATOM 164 CD PRO A 28 45.669 3.823 37.015 1.00 18.07 C ATOM 0 HA PRO A 28 46.133 6.239 34.961 1.00 16.94 H new ATOM 0 HB2 PRO A 28 44.495 4.433 33.983 1.00 17.82 H new ATOM 0 HB3 PRO A 28 45.984 4.026 34.206 1.00 17.82 H new ATOM 0 HG2 PRO A 28 43.805 3.485 36.078 1.00 18.03 H new ATOM 0 HG3 PRO A 28 44.872 2.442 35.627 1.00 18.03 H new ATOM 0 HD2 PRO A 28 45.260 3.662 37.880 1.00 18.07 H new ATOM 0 HD3 PRO A 28 46.511 3.341 37.005 1.00 18.07 H new ATOM 172 N TYR A 29 43.517 6.729 36.436 1.00 13.95 N ATOM 173 CA TYR A 29 42.305 7.607 36.493 1.00 13.19 C ATOM 174 C TYR A 29 42.634 9.001 37.001 1.00 14.92 C ATOM 175 O TYR A 29 41.753 9.838 37.045 1.00 14.21 O ATOM 176 CB TYR A 29 41.254 6.912 37.410 1.00 11.82 C ATOM 177 CG TYR A 29 41.904 6.477 38.751 1.00 12.43 C ATOM 178 CD1 TYR A 29 42.107 7.370 39.780 1.00 10.45 C ATOM 179 CD2 TYR A 29 42.347 5.177 38.943 1.00 12.15 C ATOM 180 CE1 TYR A 29 42.742 6.958 40.951 1.00 12.46 C ATOM 181 CE2 TYR A 29 42.978 4.770 40.107 1.00 12.29 C ATOM 182 CZ TYR A 29 43.188 5.662 41.138 1.00 10.70 C ATOM 183 OH TYR A 29 43.819 5.298 42.320 1.00 14.00 O ATOM 0 H TYR A 29 43.686 6.302 37.163 1.00 13.95 H new ATOM 0 HA TYR A 29 41.950 7.723 35.598 1.00 13.19 H new ATOM 0 HB2 TYR A 29 40.517 7.518 37.583 1.00 11.82 H new ATOM 0 HB3 TYR A 29 40.884 6.138 36.958 1.00 11.82 H new ATOM 0 HD1 TYR A 29 41.820 8.250 39.693 1.00 10.45 H new ATOM 0 HD2 TYR A 29 42.215 4.555 38.264 1.00 12.15 H new ATOM 0 HE1 TYR A 29 42.871 7.578 41.632 1.00 12.46 H new ATOM 0 HE2 TYR A 29 43.262 3.889 40.194 1.00 12.29 H new ATOM 0 HH TYR A 29 44.027 5.988 42.751 1.00 14.00 H new ATOM 193 N GLN A 30 43.878 9.205 37.352 1.00 16.12 N ATOM 194 CA GLN A 30 44.360 10.530 37.887 1.00 16.18 C ATOM 195 C GLN A 30 44.453 11.539 36.723 1.00 16.37 C ATOM 196 O GLN A 30 44.935 11.225 35.642 1.00 15.45 O ATOM 197 CB GLN A 30 45.784 10.325 38.566 1.00 18.22 C ATOM 198 CG GLN A 30 46.516 11.643 38.999 1.00 17.68 C ATOM 199 CD GLN A 30 45.999 12.103 40.334 1.00 17.00 C ATOM 200 OE1 GLN A 30 45.563 13.219 40.540 1.00 19.14 O ATOM 201 NE2 GLN A 30 46.046 11.235 41.277 1.00 15.46 N ATOM 0 H GLN A 30 44.491 8.604 37.300 1.00 16.12 H new ATOM 0 HA GLN A 30 43.742 10.874 38.551 1.00 16.18 H new ATOM 0 HB2 GLN A 30 45.675 9.761 39.348 1.00 18.22 H new ATOM 0 HB3 GLN A 30 46.355 9.844 37.947 1.00 18.22 H new ATOM 0 HG2 GLN A 30 47.472 11.489 39.050 1.00 17.68 H new ATOM 0 HG3 GLN A 30 46.375 12.334 38.333 1.00 17.68 H new ATOM 0 HE21 GLN A 30 46.356 10.448 41.122 1.00 15.46 H new ATOM 0 HE22 GLN A 30 45.767 11.440 42.064 1.00 15.46 H new ATOM 210 N VAL A 31 43.970 12.750 37.006 1.00 13.24 N ATOM 211 CA VAL A 31 44.013 13.848 36.004 1.00 15.89 C ATOM 212 C VAL A 31 44.694 15.091 36.697 1.00 15.90 C ATOM 213 O VAL A 31 44.750 15.201 37.915 1.00 14.53 O ATOM 214 CB AVAL A 31 42.544 14.104 35.714 0.39 17.06 C ATOM 215 CB BVAL A 31 42.583 14.328 35.435 0.69 17.74 C ATOM 216 CG1AVAL A 31 42.264 15.217 34.774 0.39 16.06 C ATOM 217 CG1BVAL A 31 41.697 13.115 35.083 0.69 20.48 C ATOM 218 CG2AVAL A 31 41.764 12.797 35.343 0.39 18.76 C ATOM 219 CG2BVAL A 31 41.814 15.326 36.271 0.69 16.87 C ATOM 0 H VAL A 31 43.615 12.965 37.759 1.00 13.24 H new ATOM 0 HA VAL A 31 44.509 13.656 35.193 1.00 15.89 H new ATOM 0 HB AVAL A 31 42.194 14.419 36.562 0.39 17.74 H new ATOM 0 HB BVAL A 31 42.814 14.828 34.636 0.69 17.74 H new ATOM 0 HG11AVAL A 31 41.306 15.304 34.651 0.39 20.48 H new ATOM 0 HG11BVAL A 31 40.843 13.425 34.743 0.69 20.48 H new ATOM 0 HG12AVAL A 31 42.620 16.044 35.136 0.39 20.48 H new ATOM 0 HG12BVAL A 31 42.138 12.578 34.406 0.69 20.48 H new ATOM 0 HG13AVAL A 31 42.683 15.032 33.919 0.39 20.48 H new ATOM 0 HG13BVAL A 31 41.552 12.578 35.878 0.69 20.48 H new ATOM 0 HG21AVAL A 31 40.835 13.013 35.168 0.39 16.87 H new ATOM 0 HG21BVAL A 31 40.976 15.539 35.832 0.69 16.87 H new ATOM 0 HG22AVAL A 31 42.158 12.399 34.551 0.39 16.87 H new ATOM 0 HG22BVAL A 31 41.633 14.945 37.145 0.69 16.87 H new ATOM 0 HG23AVAL A 31 41.816 12.169 36.080 0.39 16.87 H new ATOM 0 HG23BVAL A 31 42.339 16.135 36.374 0.69 16.87 H new ATOM 236 N SER A 32 45.145 15.991 35.916 1.00 13.68 N ATOM 237 CA SER A 32 45.834 17.226 36.346 1.00 12.90 C ATOM 238 C SER A 32 44.967 18.287 35.644 1.00 13.38 C ATOM 239 O SER A 32 44.753 18.169 34.444 1.00 13.46 O ATOM 240 CB SER A 32 47.284 17.331 35.785 1.00 14.06 C ATOM 241 OG SER A 32 47.775 18.665 35.976 1.00 11.61 O ATOM 0 H SER A 32 45.073 15.932 35.061 1.00 13.68 H new ATOM 0 HA SER A 32 45.920 17.295 37.310 1.00 12.90 H new ATOM 0 HB2 SER A 32 47.862 16.696 36.235 1.00 14.06 H new ATOM 0 HB3 SER A 32 47.294 17.104 34.842 1.00 14.06 H new ATOM 0 HG SER A 32 47.793 18.842 36.797 1.00 11.61 H new ATOM 247 N LEU A 33 44.521 19.254 36.384 1.00 10.80 N ATOM 248 CA LEU A 33 43.697 20.347 35.844 1.00 12.06 C ATOM 249 C LEU A 33 44.788 21.426 35.659 1.00 12.51 C ATOM 250 O LEU A 33 45.572 21.738 36.551 1.00 11.64 O ATOM 251 CB LEU A 33 42.648 20.814 36.861 1.00 15.21 C ATOM 252 CG LEU A 33 41.697 19.655 37.355 1.00 15.06 C ATOM 253 CD1 LEU A 33 40.596 20.260 38.312 1.00 16.65 C ATOM 254 CD2 LEU A 33 41.051 18.870 36.154 1.00 15.39 C ATOM 0 H LEU A 33 44.677 19.317 37.227 1.00 10.80 H new ATOM 0 HA LEU A 33 43.189 20.120 35.049 1.00 12.06 H new ATOM 0 HB2 LEU A 33 43.100 21.202 37.627 1.00 15.21 H new ATOM 0 HB3 LEU A 33 42.111 21.517 36.463 1.00 15.21 H new ATOM 0 HG LEU A 33 42.226 19.008 37.847 1.00 15.06 H new ATOM 0 HD11 LEU A 33 40.009 19.551 38.619 1.00 16.65 H new ATOM 0 HD12 LEU A 33 41.025 20.677 39.076 1.00 16.65 H new ATOM 0 HD13 LEU A 33 40.078 20.923 37.830 1.00 16.65 H new ATOM 0 HD21 LEU A 33 40.476 18.169 36.498 1.00 15.39 H new ATOM 0 HD22 LEU A 33 40.527 19.481 35.612 1.00 15.39 H new ATOM 0 HD23 LEU A 33 41.751 18.476 35.611 1.00 15.39 H new ATOM 266 N ASN A 34 44.799 21.967 34.478 1.00 13.58 N ATOM 267 CA ASN A 34 45.799 23.006 34.118 1.00 12.18 C ATOM 268 C ASN A 34 45.179 24.291 33.556 1.00 13.01 C ATOM 269 O ASN A 34 44.276 24.201 32.747 1.00 13.75 O ATOM 270 CB ASN A 34 46.767 22.272 33.094 1.00 11.71 C ATOM 271 CG ASN A 34 47.918 23.123 32.556 1.00 12.80 C ATOM 272 OD1 ASN A 34 47.741 24.094 31.843 1.00 13.21 O ATOM 273 ND2 ASN A 34 49.127 22.795 32.874 1.00 12.87 N ATOM 0 H ASN A 34 44.248 21.766 33.849 1.00 13.58 H new ATOM 0 HA ASN A 34 46.274 23.334 34.898 1.00 12.18 H new ATOM 0 HB2 ASN A 34 47.139 21.489 33.529 1.00 11.71 H new ATOM 0 HB3 ASN A 34 46.240 21.956 32.343 1.00 11.71 H new ATOM 0 HD21 ASN A 34 49.789 23.260 32.583 1.00 12.87 H new ATOM 0 HD22 ASN A 34 49.269 22.112 33.377 1.00 12.87 H new ATOM 280 N SER A 37 45.638 25.429 34.001 1.00 13.77 N ATOM 281 CA SER A 37 45.115 26.730 33.496 1.00 15.08 C ATOM 282 C SER A 37 46.415 27.516 33.245 1.00 16.33 C ATOM 283 O SER A 37 46.579 28.661 33.628 1.00 16.25 O ATOM 284 CB SER A 37 44.262 27.437 34.543 1.00 18.19 C ATOM 285 OG SER A 37 45.064 27.367 35.723 1.00 24.10 O ATOM 0 H SER A 37 46.254 25.500 34.597 1.00 13.77 H new ATOM 0 HA SER A 37 44.542 26.639 32.719 1.00 15.08 H new ATOM 0 HB2 SER A 37 44.075 28.355 34.292 1.00 18.19 H new ATOM 0 HB3 SER A 37 43.407 26.996 34.665 1.00 18.19 H new ATOM 0 HG SER A 37 44.860 26.679 36.160 1.00 24.10 H new ATOM 291 N GLY A 38 47.335 26.848 32.593 1.00 17.97 N ATOM 292 CA GLY A 38 48.670 27.465 32.271 1.00 16.80 C ATOM 293 C GLY A 38 49.779 26.862 33.151 1.00 15.32 C ATOM 294 O GLY A 38 50.949 27.085 32.900 1.00 14.62 O ATOM 0 H GLY A 38 47.239 26.040 32.316 1.00 17.97 H new ATOM 0 HA2 GLY A 38 48.880 27.321 31.335 1.00 16.80 H new ATOM 0 HA3 GLY A 38 48.629 28.424 32.408 1.00 16.80 H new ATOM 298 N TYR A 39 49.307 26.149 34.146 1.00 15.36 N ATOM 299 CA TYR A 39 50.113 25.445 35.159 1.00 15.32 C ATOM 300 C TYR A 39 49.103 24.506 35.875 1.00 15.00 C ATOM 301 O TYR A 39 47.896 24.701 35.860 1.00 11.79 O ATOM 302 CB TYR A 39 50.729 26.480 36.174 1.00 14.60 C ATOM 303 CG TYR A 39 49.615 27.406 36.676 1.00 14.50 C ATOM 304 CD1 TYR A 39 49.381 28.576 35.972 1.00 15.80 C ATOM 305 CD2 TYR A 39 48.810 27.075 37.771 1.00 17.40 C ATOM 306 CE1 TYR A 39 48.361 29.400 36.338 1.00 17.56 C ATOM 307 CE2 TYR A 39 47.783 27.915 38.134 1.00 16.59 C ATOM 308 CZ TYR A 39 47.562 29.069 37.414 1.00 18.69 C ATOM 309 OH TYR A 39 46.516 29.880 37.754 1.00 22.38 O ATOM 0 H TYR A 39 48.462 26.047 34.270 1.00 15.36 H new ATOM 0 HA TYR A 39 50.856 24.956 34.774 1.00 15.32 H new ATOM 0 HB2 TYR A 39 51.140 26.015 36.919 1.00 14.60 H new ATOM 0 HB3 TYR A 39 51.427 26.998 35.743 1.00 14.60 H new ATOM 0 HD1 TYR A 39 49.921 28.799 35.249 1.00 15.80 H new ATOM 0 HD2 TYR A 39 48.968 26.293 38.250 1.00 17.40 H new ATOM 0 HE1 TYR A 39 48.203 30.184 35.864 1.00 17.56 H new ATOM 0 HE2 TYR A 39 47.241 27.706 38.860 1.00 16.59 H new ATOM 0 HH TYR A 39 46.118 29.560 38.421 1.00 22.38 H new ATOM 319 N HIS A 40 49.660 23.505 36.493 1.00 14.33 N ATOM 320 CA HIS A 40 48.861 22.497 37.238 1.00 13.97 C ATOM 321 C HIS A 40 48.348 23.188 38.490 1.00 13.73 C ATOM 322 O HIS A 40 49.137 23.821 39.181 1.00 13.57 O ATOM 323 CB HIS A 40 49.756 21.295 37.670 1.00 15.40 C ATOM 324 CG HIS A 40 49.073 20.407 38.793 1.00 14.55 C ATOM 325 ND1 HIS A 40 48.262 19.394 38.548 1.00 12.84 N ATOM 326 CD2 HIS A 40 49.219 20.543 40.176 1.00 15.35 C ATOM 327 CE1 HIS A 40 47.924 18.922 39.733 1.00 14.18 C ATOM 328 NE2 HIS A 40 48.487 19.594 40.688 1.00 15.04 N ATOM 0 H HIS A 40 50.508 23.366 36.510 1.00 14.33 H new ATOM 0 HA HIS A 40 48.142 22.160 36.681 1.00 13.97 H new ATOM 0 HB2 HIS A 40 49.947 20.743 36.896 1.00 15.40 H new ATOM 0 HB3 HIS A 40 50.606 21.629 37.997 1.00 15.40 H new ATOM 0 HD2 HIS A 40 49.728 21.174 40.632 1.00 15.35 H new ATOM 0 HE1 HIS A 40 47.354 18.199 39.866 1.00 14.18 H new ATOM 0 HE2 HIS A 40 48.392 19.438 41.528 1.00 15.04 H new ATOM 337 N PHE A 41 47.085 23.088 38.769 1.00 13.07 N ATOM 338 CA PHE A 41 46.606 23.756 40.007 1.00 12.71 C ATOM 339 C PHE A 41 45.764 22.787 40.817 1.00 12.90 C ATOM 340 O PHE A 41 45.531 23.050 41.976 1.00 15.37 O ATOM 341 CB PHE A 41 45.804 25.015 39.631 1.00 14.86 C ATOM 342 CG PHE A 41 44.491 24.705 38.939 1.00 16.72 C ATOM 343 CD1 PHE A 41 43.358 24.489 39.684 1.00 17.25 C ATOM 344 CD2 PHE A 41 44.424 24.650 37.563 1.00 18.93 C ATOM 345 CE1 PHE A 41 42.166 24.222 39.066 1.00 19.84 C ATOM 346 CE2 PHE A 41 43.224 24.380 36.936 1.00 18.62 C ATOM 347 CZ PHE A 41 42.090 24.166 37.689 1.00 19.15 C ATOM 0 H PHE A 41 46.494 22.670 38.305 1.00 13.07 H new ATOM 0 HA PHE A 41 47.361 24.027 40.552 1.00 12.71 H new ATOM 0 HB2 PHE A 41 45.626 25.529 40.434 1.00 14.86 H new ATOM 0 HB3 PHE A 41 46.344 25.574 39.051 1.00 14.86 H new ATOM 0 HD1 PHE A 41 43.401 24.524 40.612 1.00 17.25 H new ATOM 0 HD2 PHE A 41 45.190 24.795 37.056 1.00 18.93 H new ATOM 0 HE1 PHE A 41 41.403 24.077 39.577 1.00 19.84 H new ATOM 0 HE2 PHE A 41 43.181 24.343 36.008 1.00 18.62 H new ATOM 0 HZ PHE A 41 41.279 23.985 37.272 1.00 19.15 H new ATOM 357 N CYS A 42 45.312 21.714 40.241 1.00 13.16 N ATOM 358 CA CYS A 42 44.484 20.752 41.015 1.00 12.27 C ATOM 359 C CYS A 42 44.482 19.396 40.290 1.00 12.33 C ATOM 360 O CYS A 42 44.851 19.331 39.123 1.00 10.57 O ATOM 361 CB CYS A 42 42.994 21.261 41.152 1.00 11.77 C ATOM 362 SG CYS A 42 42.591 22.322 42.580 1.00 12.55 S ATOM 0 H CYS A 42 45.453 21.500 39.420 1.00 13.16 H new ATOM 0 HA CYS A 42 44.864 20.666 41.903 1.00 12.27 H new ATOM 0 HB2 CYS A 42 42.769 21.749 40.344 1.00 11.77 H new ATOM 0 HB3 CYS A 42 42.414 20.484 41.184 1.00 11.77 H new ATOM 367 N GLY A 43 44.053 18.402 41.022 1.00 10.71 N ATOM 368 CA GLY A 43 43.970 17.031 40.497 1.00 9.82 C ATOM 369 C GLY A 43 42.499 16.777 40.305 1.00 8.70 C ATOM 370 O GLY A 43 41.670 17.606 40.630 1.00 11.37 O ATOM 0 H GLY A 43 43.798 18.484 41.839 1.00 10.71 H new ATOM 0 HA2 GLY A 43 44.454 16.945 39.660 1.00 9.82 H new ATOM 0 HA3 GLY A 43 44.359 16.393 41.116 1.00 9.82 H new ATOM 374 N GLY A 44 42.189 15.636 39.772 1.00 12.77 N ATOM 375 CA GLY A 44 40.786 15.226 39.520 1.00 10.22 C ATOM 376 C GLY A 44 40.823 13.700 39.216 1.00 10.86 C ATOM 377 O GLY A 44 41.898 13.124 39.173 1.00 10.77 O ATOM 0 H GLY A 44 42.772 15.051 39.533 1.00 12.77 H new ATOM 0 HA2 GLY A 44 40.228 15.411 40.291 1.00 10.22 H new ATOM 0 HA3 GLY A 44 40.411 15.718 38.773 1.00 10.22 H new ATOM 381 N SER A 45 39.667 13.115 39.028 1.00 11.01 N ATOM 382 CA SER A 45 39.529 11.670 38.723 1.00 12.04 C ATOM 383 C SER A 45 38.653 11.476 37.472 1.00 12.23 C ATOM 384 O SER A 45 37.614 12.096 37.352 1.00 11.75 O ATOM 385 CB SER A 45 38.841 10.943 39.880 1.00 10.71 C ATOM 386 OG SER A 45 39.776 11.033 40.942 1.00 16.98 O ATOM 0 H SER A 45 38.916 13.532 39.070 1.00 11.01 H new ATOM 0 HA SER A 45 40.419 11.311 38.579 1.00 12.04 H new ATOM 0 HB2 SER A 45 37.998 11.362 40.112 1.00 10.71 H new ATOM 0 HB3 SER A 45 38.646 10.020 39.655 1.00 10.71 H new ATOM 0 HG SER A 45 39.594 11.699 41.421 1.00 16.98 H new ATOM 392 N LEU A 46 39.056 10.621 36.579 1.00 11.27 N ATOM 393 CA LEU A 46 38.240 10.398 35.365 1.00 13.92 C ATOM 394 C LEU A 46 37.177 9.343 35.774 1.00 13.73 C ATOM 395 O LEU A 46 37.536 8.270 36.246 1.00 14.36 O ATOM 396 CB LEU A 46 39.159 9.852 34.259 1.00 15.95 C ATOM 397 CG LEU A 46 38.388 9.656 32.954 1.00 18.10 C ATOM 398 CD1 LEU A 46 38.027 11.022 32.393 1.00 17.62 C ATOM 399 CD2 LEU A 46 39.280 8.833 31.961 1.00 21.49 C ATOM 0 H LEU A 46 39.778 10.157 36.630 1.00 11.27 H new ATOM 0 HA LEU A 46 37.816 11.205 35.032 1.00 13.92 H new ATOM 0 HB2 LEU A 46 39.896 10.466 34.114 1.00 15.95 H new ATOM 0 HB3 LEU A 46 39.544 9.008 34.541 1.00 15.95 H new ATOM 0 HG LEU A 46 37.566 9.162 33.100 1.00 18.10 H new ATOM 0 HD11 LEU A 46 37.537 10.912 31.563 1.00 17.62 H new ATOM 0 HD12 LEU A 46 37.476 11.500 33.033 1.00 17.62 H new ATOM 0 HD13 LEU A 46 38.838 11.527 32.224 1.00 17.62 H new ATOM 0 HD21 LEU A 46 38.801 8.702 31.128 1.00 21.49 H new ATOM 0 HD22 LEU A 46 40.103 9.317 31.788 1.00 21.49 H new ATOM 0 HD23 LEU A 46 39.489 7.970 32.352 1.00 21.49 H new ATOM 411 N ILE A 47 35.915 9.647 35.585 1.00 16.30 N ATOM 412 CA ILE A 47 34.843 8.661 35.957 1.00 17.09 C ATOM 413 C ILE A 47 34.323 7.960 34.692 1.00 17.23 C ATOM 414 O ILE A 47 33.684 6.943 34.844 1.00 15.45 O ATOM 415 CB ILE A 47 33.722 9.415 36.756 1.00 18.71 C ATOM 416 CG1 ILE A 47 33.188 10.691 36.089 1.00 19.01 C ATOM 417 CG2 ILE A 47 34.397 9.792 38.131 1.00 22.80 C ATOM 418 CD1 ILE A 47 31.992 11.232 36.916 1.00 20.75 C ATOM 0 H ILE A 47 35.632 10.389 35.254 1.00 16.30 H new ATOM 0 HA ILE A 47 35.191 7.963 36.533 1.00 17.09 H new ATOM 0 HB ILE A 47 32.945 8.838 36.826 1.00 18.71 H new ATOM 0 HG12 ILE A 47 33.889 11.360 36.037 1.00 19.01 H new ATOM 0 HG13 ILE A 47 32.908 10.502 35.180 1.00 19.01 H new ATOM 0 HG21 ILE A 47 33.758 10.266 38.686 1.00 22.80 H new ATOM 0 HG22 ILE A 47 34.681 8.983 38.585 1.00 22.80 H new ATOM 0 HG23 ILE A 47 35.167 10.359 37.969 1.00 22.80 H new ATOM 0 HD11 ILE A 47 31.649 12.039 36.500 1.00 20.75 H new ATOM 0 HD12 ILE A 47 31.291 10.562 36.948 1.00 20.75 H new ATOM 0 HD13 ILE A 47 32.287 11.434 37.818 1.00 20.75 H new ATOM 430 N ASN A 48 34.576 8.489 33.516 1.00 15.59 N ATOM 431 CA ASN A 48 34.140 7.841 32.228 1.00 17.06 C ATOM 432 C ASN A 48 34.805 8.677 31.139 1.00 14.91 C ATOM 433 O ASN A 48 35.333 9.726 31.455 1.00 14.75 O ATOM 434 CB ASN A 48 32.545 7.766 32.038 1.00 16.48 C ATOM 435 CG ASN A 48 31.763 9.031 31.899 1.00 18.18 C ATOM 436 OD1 ASN A 48 30.646 9.118 32.364 1.00 22.38 O ATOM 437 ND2 ASN A 48 32.271 10.038 31.279 1.00 15.42 N ATOM 0 H ASN A 48 35.001 9.229 33.409 1.00 15.59 H new ATOM 0 HA ASN A 48 34.407 6.909 32.205 1.00 17.06 H new ATOM 0 HB2 ASN A 48 32.371 7.228 31.250 1.00 16.48 H new ATOM 0 HB3 ASN A 48 32.184 7.282 32.797 1.00 16.48 H new ATOM 0 HD21 ASN A 48 31.819 10.765 31.197 1.00 15.42 H new ATOM 0 HD22 ASN A 48 33.062 9.984 30.947 1.00 15.42 H new ATOM 444 N SER A 49 34.763 8.248 29.907 1.00 16.00 N ATOM 445 CA SER A 49 35.415 8.999 28.791 1.00 16.00 C ATOM 446 C SER A 49 35.155 10.476 28.661 1.00 15.81 C ATOM 447 O SER A 49 35.999 11.168 28.130 1.00 16.87 O ATOM 448 CB SER A 49 35.055 8.282 27.433 1.00 15.51 C ATOM 449 OG SER A 49 33.656 8.058 27.559 1.00 25.15 O ATOM 0 H SER A 49 34.367 7.524 29.664 1.00 16.00 H new ATOM 0 HA SER A 49 36.358 8.972 29.017 1.00 16.00 H new ATOM 0 HB2 SER A 49 35.263 8.838 26.666 1.00 15.51 H new ATOM 0 HB3 SER A 49 35.544 7.452 27.323 1.00 15.51 H new ATOM 0 HG SER A 49 33.520 7.265 27.799 1.00 25.15 H new ATOM 455 N GLN A 50 34.014 10.933 29.097 1.00 12.40 N ATOM 456 CA GLN A 50 33.693 12.398 28.984 1.00 13.44 C ATOM 457 C GLN A 50 33.632 13.219 30.320 1.00 10.82 C ATOM 458 O GLN A 50 33.511 14.417 30.223 1.00 10.16 O ATOM 459 CB AGLN A 50 32.334 12.595 28.346 0.39 15.38 C ATOM 460 CB BGLN A 50 32.326 12.534 28.278 0.49 15.74 C ATOM 461 CG AGLN A 50 32.181 12.035 26.936 0.39 16.90 C ATOM 462 CG BGLN A 50 32.265 11.872 26.868 0.49 17.59 C ATOM 463 CD AGLN A 50 30.756 12.454 26.557 0.39 19.41 C ATOM 464 CD BGLN A 50 30.786 11.795 26.408 0.49 19.66 C ATOM 465 OE1AGLN A 50 29.794 12.015 27.164 0.39 20.47 O ATOM 466 OE1BGLN A 50 29.874 11.722 27.219 0.49 21.96 O ATOM 467 NE2AGLN A 50 30.560 13.296 25.598 0.39 20.75 N ATOM 468 NE2BGLN A 50 30.478 11.795 25.146 0.49 19.05 N ATOM 0 H GLN A 50 33.400 10.452 29.460 1.00 12.40 H new ATOM 0 HA GLN A 50 34.440 12.730 28.462 1.00 13.44 H new ATOM 0 HB2AGLN A 50 31.665 12.183 28.915 0.39 15.74 H new ATOM 0 HB2BGLN A 50 31.642 12.137 28.840 0.49 15.74 H new ATOM 0 HB3AGLN A 50 32.140 13.545 28.322 0.39 15.74 H new ATOM 0 HB3BGLN A 50 32.111 13.476 28.191 0.49 15.74 H new ATOM 0 HG2AGLN A 50 32.839 12.406 26.328 0.39 17.59 H new ATOM 0 HG2BGLN A 50 32.787 12.388 26.233 0.49 17.59 H new ATOM 0 HG3AGLN A 50 32.290 11.071 26.918 0.39 17.59 H new ATOM 0 HG3BGLN A 50 32.653 10.983 26.898 0.49 17.59 H new ATOM 0 HE21AGLN A 50 31.229 13.614 25.161 0.39 19.05 H new ATOM 0 HE21BGLN A 50 31.098 11.845 24.552 0.49 19.05 H new ATOM 0 HE22AGLN A 50 29.760 13.539 25.396 0.39 19.05 H new ATOM 0 HE22BGLN A 50 29.654 11.745 24.904 0.49 19.05 H new ATOM 483 N TRP A 51 33.723 12.605 31.461 1.00 11.25 N ATOM 484 CA TRP A 51 33.620 13.358 32.741 1.00 10.63 C ATOM 485 C TRP A 51 34.696 13.112 33.794 1.00 10.47 C ATOM 486 O TRP A 51 35.191 12.009 33.970 1.00 11.62 O ATOM 487 CB TRP A 51 32.235 13.027 33.373 1.00 9.48 C ATOM 488 CG TRP A 51 30.979 13.470 32.547 1.00 11.30 C ATOM 489 CD1 TRP A 51 30.299 12.781 31.568 1.00 10.87 C ATOM 490 CD2 TRP A 51 30.334 14.675 32.692 1.00 14.18 C ATOM 491 NE1 TRP A 51 29.332 13.592 31.202 1.00 10.29 N ATOM 492 CE2 TRP A 51 29.244 14.760 31.803 1.00 11.83 C ATOM 493 CE3 TRP A 51 30.591 15.748 33.561 1.00 12.00 C ATOM 494 CZ2 TRP A 51 28.441 15.901 31.797 1.00 12.31 C ATOM 495 CZ3 TRP A 51 29.787 16.880 33.550 1.00 12.12 C ATOM 496 CH2 TRP A 51 28.709 16.957 32.668 1.00 11.32 C ATOM 0 H TRP A 51 33.844 11.758 31.549 1.00 11.25 H new ATOM 0 HA TRP A 51 33.741 14.288 32.492 1.00 10.63 H new ATOM 0 HB2 TRP A 51 32.185 12.069 33.515 1.00 9.48 H new ATOM 0 HB3 TRP A 51 32.190 13.446 34.247 1.00 9.48 H new ATOM 0 HD1 TRP A 51 30.483 11.931 31.239 1.00 10.87 H new ATOM 0 HE1 TRP A 51 28.773 13.367 30.588 1.00 10.29 H new ATOM 0 HE3 TRP A 51 31.308 15.700 34.151 1.00 12.00 H new ATOM 0 HZ2 TRP A 51 27.723 15.958 31.209 1.00 12.31 H new ATOM 0 HZ3 TRP A 51 29.967 17.585 34.129 1.00 12.12 H new ATOM 0 HH2 TRP A 51 28.168 17.714 32.661 1.00 11.32 H new ATOM 507 N VAL A 52 34.989 14.183 34.476 1.00 12.31 N ATOM 508 CA VAL A 52 35.996 14.213 35.569 1.00 13.03 C ATOM 509 C VAL A 52 35.299 14.790 36.833 1.00 11.19 C ATOM 510 O VAL A 52 34.423 15.632 36.737 1.00 11.53 O ATOM 511 CB VAL A 52 37.203 15.145 35.142 1.00 13.24 C ATOM 512 CG1 VAL A 52 38.170 15.404 36.312 1.00 14.75 C ATOM 513 CG2 VAL A 52 37.989 14.494 33.998 1.00 13.18 C ATOM 0 H VAL A 52 34.615 14.944 34.334 1.00 12.31 H new ATOM 0 HA VAL A 52 36.340 13.324 35.750 1.00 13.03 H new ATOM 0 HB VAL A 52 36.824 15.992 34.858 1.00 13.24 H new ATOM 0 HG11 VAL A 52 38.894 15.977 36.013 1.00 14.75 H new ATOM 0 HG12 VAL A 52 37.693 15.838 37.036 1.00 14.75 H new ATOM 0 HG13 VAL A 52 38.533 14.561 36.624 1.00 14.75 H new ATOM 0 HG21 VAL A 52 38.726 15.071 33.742 1.00 13.18 H new ATOM 0 HG22 VAL A 52 38.336 13.637 34.290 1.00 13.18 H new ATOM 0 HG23 VAL A 52 37.403 14.362 33.236 1.00 13.18 H new ATOM 523 N VAL A 53 35.698 14.315 37.999 1.00 11.24 N ATOM 524 CA VAL A 53 35.141 14.824 39.272 1.00 12.04 C ATOM 525 C VAL A 53 36.384 15.407 39.977 1.00 10.96 C ATOM 526 O VAL A 53 37.453 14.832 39.947 1.00 9.35 O ATOM 527 CB AVAL A 53 34.524 13.648 40.104 0.66 12.35 C ATOM 528 CB BVAL A 53 34.595 13.679 40.211 0.24 16.03 C ATOM 529 CG1AVAL A 53 35.515 12.534 40.422 0.66 14.47 C ATOM 530 CG1BVAL A 53 33.367 12.988 39.627 0.24 16.08 C ATOM 531 CG2AVAL A 53 33.990 14.193 41.428 0.66 11.77 C ATOM 532 CG2BVAL A 53 35.641 12.578 40.484 0.24 17.58 C ATOM 0 H VAL A 53 36.290 13.698 38.090 1.00 11.24 H new ATOM 0 HA VAL A 53 34.428 15.472 39.157 1.00 12.04 H new ATOM 0 HB AVAL A 53 33.822 13.267 39.554 0.66 16.03 H new ATOM 0 HB BVAL A 53 34.369 14.134 41.037 0.24 16.03 H new ATOM 0 HG11AVAL A 53 35.070 11.842 40.936 0.66 16.08 H new ATOM 0 HG11BVAL A 53 33.066 12.294 40.235 0.24 16.08 H new ATOM 0 HG12AVAL A 53 35.853 12.155 39.595 0.66 16.08 H new ATOM 0 HG12BVAL A 53 32.658 13.638 39.503 0.24 16.08 H new ATOM 0 HG13AVAL A 53 36.253 12.895 40.937 0.66 16.08 H new ATOM 0 HG13BVAL A 53 33.595 12.592 38.772 0.24 16.08 H new ATOM 0 HG21AVAL A 53 33.607 13.468 41.946 0.66 17.58 H new ATOM 0 HG21BVAL A 53 35.256 11.902 41.063 0.24 17.58 H new ATOM 0 HG22AVAL A 53 34.716 14.598 41.928 0.66 17.58 H new ATOM 0 HG22BVAL A 53 35.908 12.170 39.645 0.24 17.58 H new ATOM 0 HG23AVAL A 53 33.307 14.859 41.252 0.66 17.58 H new ATOM 0 HG23BVAL A 53 36.417 12.969 40.915 0.24 17.58 H new ATOM 549 N SER A 54 36.203 16.545 40.548 1.00 11.49 N ATOM 550 CA SER A 54 37.310 17.189 41.296 1.00 10.56 C ATOM 551 C SER A 54 36.590 17.917 42.461 1.00 11.41 C ATOM 552 O SER A 54 35.430 17.668 42.755 1.00 12.25 O ATOM 553 CB SER A 54 38.086 18.167 40.327 1.00 10.02 C ATOM 554 OG SER A 54 39.151 18.733 41.094 1.00 11.00 O ATOM 0 H SER A 54 35.465 16.987 40.535 1.00 11.49 H new ATOM 0 HA SER A 54 37.982 16.578 41.638 1.00 10.56 H new ATOM 0 HB2 SER A 54 38.431 17.689 39.557 1.00 10.02 H new ATOM 0 HB3 SER A 54 37.496 18.860 39.990 1.00 10.02 H new ATOM 0 HG SER A 54 39.871 18.345 40.903 1.00 11.00 H new ATOM 560 N ALA A 55 37.297 18.808 43.092 1.00 11.39 N ATOM 561 CA ALA A 55 36.748 19.586 44.226 1.00 10.99 C ATOM 562 C ALA A 55 36.189 20.924 43.712 1.00 9.32 C ATOM 563 O ALA A 55 36.710 21.535 42.807 1.00 9.54 O ATOM 564 CB ALA A 55 37.873 19.890 45.250 1.00 10.37 C ATOM 0 H ALA A 55 38.112 18.998 42.895 1.00 11.39 H new ATOM 0 HA ALA A 55 36.045 19.068 44.648 1.00 10.99 H new ATOM 0 HB1 ALA A 55 37.508 20.400 45.990 1.00 10.37 H new ATOM 0 HB2 ALA A 55 38.242 19.057 45.582 1.00 10.37 H new ATOM 0 HB3 ALA A 55 38.573 20.404 44.818 1.00 10.37 H new ATOM 570 N ALA A 56 35.132 21.377 44.314 1.00 9.69 N ATOM 571 CA ALA A 56 34.539 22.662 43.899 1.00 9.24 C ATOM 572 C ALA A 56 35.492 23.818 44.166 1.00 10.51 C ATOM 573 O ALA A 56 35.483 24.802 43.439 1.00 11.90 O ATOM 574 CB ALA A 56 33.281 22.944 44.662 1.00 11.27 C ATOM 0 H ALA A 56 34.728 20.980 44.961 1.00 9.69 H new ATOM 0 HA ALA A 56 34.354 22.587 42.950 1.00 9.24 H new ATOM 0 HB1 ALA A 56 32.910 23.792 44.373 1.00 11.27 H new ATOM 0 HB2 ALA A 56 32.637 22.237 44.498 1.00 11.27 H new ATOM 0 HB3 ALA A 56 33.480 22.985 45.610 1.00 11.27 H new ATOM 580 N HIS A 57 36.317 23.711 45.194 1.00 10.51 N ATOM 581 CA HIS A 57 37.218 24.886 45.442 1.00 13.25 C ATOM 582 C HIS A 57 38.365 25.014 44.403 1.00 14.26 C ATOM 583 O HIS A 57 39.189 25.882 44.469 1.00 15.38 O ATOM 584 CB AHIS A 57 37.775 24.785 46.933 0.39 12.52 C ATOM 585 CB BHIS A 57 37.864 24.851 46.911 0.61 13.60 C ATOM 586 CG AHIS A 57 38.935 23.799 47.198 0.39 13.81 C ATOM 587 CG BHIS A 57 38.996 23.765 47.195 0.61 15.93 C ATOM 588 ND1AHIS A 57 38.918 22.505 47.296 0.39 14.00 N ATOM 589 ND1BHIS A 57 38.820 22.606 47.701 0.61 16.36 N ATOM 590 CD2AHIS A 57 40.256 24.112 47.381 0.39 13.72 C ATOM 591 CD2BHIS A 57 40.372 23.972 46.879 0.61 15.55 C ATOM 592 CE1AHIS A 57 40.107 22.058 47.517 0.39 13.16 C ATOM 593 CE1BHIS A 57 39.926 21.972 47.783 0.61 16.21 C ATOM 594 NE2AHIS A 57 40.981 23.029 47.579 0.39 13.54 N ATOM 595 NE2BHIS A 57 40.832 22.791 47.294 0.61 16.58 N ATOM 0 H HIS A 57 36.389 23.042 45.730 1.00 10.51 H new ATOM 0 HA HIS A 57 36.699 25.698 45.335 1.00 13.25 H new ATOM 0 HB2AHIS A 57 38.067 25.670 47.204 0.39 13.60 H new ATOM 0 HB2BHIS A 57 38.238 25.727 47.094 0.61 13.60 H new ATOM 0 HB3AHIS A 57 37.036 24.540 47.512 0.39 13.60 H new ATOM 0 HB3BHIS A 57 37.147 24.710 47.549 0.61 13.60 H new ATOM 0 HD1AHIS A 57 38.214 22.016 47.224 0.39 16.36 H new ATOM 0 HD1BHIS A 57 38.059 22.294 47.953 0.61 16.36 H new ATOM 0 HD2AHIS A 57 40.597 24.977 47.367 0.39 15.55 H new ATOM 0 HD2BHIS A 57 40.810 24.701 46.502 0.61 15.55 H new ATOM 0 HE1AHIS A 57 40.317 21.158 47.619 0.39 16.21 H new ATOM 0 HE1BHIS A 57 40.062 21.115 48.117 0.61 16.21 H new ATOM 608 N CYS A 58 38.354 24.098 43.434 1.00 13.64 N ATOM 609 CA CYS A 58 39.347 24.061 42.314 1.00 13.92 C ATOM 610 C CYS A 58 38.666 24.723 41.109 1.00 14.14 C ATOM 611 O CYS A 58 39.259 24.823 40.059 1.00 14.47 O ATOM 612 CB CYS A 58 39.712 22.598 41.921 1.00 13.13 C ATOM 613 SG CYS A 58 40.754 21.759 43.115 1.00 13.08 S ATOM 0 H CYS A 58 37.770 23.468 43.394 1.00 13.64 H new ATOM 0 HA CYS A 58 40.162 24.512 42.584 1.00 13.92 H new ATOM 0 HB2 CYS A 58 38.894 22.090 41.807 1.00 13.13 H new ATOM 0 HB3 CYS A 58 40.163 22.607 41.062 1.00 13.13 H new ATOM 618 N TYR A 59 37.447 25.155 41.258 1.00 13.03 N ATOM 619 CA TYR A 59 36.772 25.793 40.097 1.00 14.84 C ATOM 620 C TYR A 59 37.560 27.034 39.610 1.00 14.06 C ATOM 621 O TYR A 59 37.959 27.883 40.390 1.00 12.21 O ATOM 622 CB TYR A 59 35.328 26.211 40.496 1.00 15.05 C ATOM 623 CG TYR A 59 34.727 27.120 39.393 1.00 17.56 C ATOM 624 CD1 TYR A 59 34.789 28.476 39.589 1.00 18.96 C ATOM 625 CD2 TYR A 59 34.164 26.660 38.222 1.00 17.54 C ATOM 626 CE1 TYR A 59 34.315 29.337 38.659 1.00 18.41 C ATOM 627 CE2 TYR A 59 33.688 27.533 37.289 1.00 19.07 C ATOM 628 CZ TYR A 59 33.765 28.877 37.507 1.00 18.68 C ATOM 629 OH TYR A 59 33.297 29.774 36.571 1.00 24.01 O ATOM 0 H TYR A 59 36.984 25.105 41.981 1.00 13.03 H new ATOM 0 HA TYR A 59 36.737 25.150 39.372 1.00 14.84 H new ATOM 0 HB2 TYR A 59 34.775 25.423 40.616 1.00 15.05 H new ATOM 0 HB3 TYR A 59 35.340 26.681 41.344 1.00 15.05 H new ATOM 0 HD1 TYR A 59 35.162 28.809 40.373 1.00 18.96 H new ATOM 0 HD2 TYR A 59 34.108 25.745 38.067 1.00 17.54 H new ATOM 0 HE1 TYR A 59 34.367 30.253 38.811 1.00 18.41 H new ATOM 0 HE2 TYR A 59 33.310 27.211 36.502 1.00 19.07 H new ATOM 0 HH TYR A 59 32.986 29.355 35.912 1.00 24.01 H new ATOM 639 N LYS A 60 37.732 27.056 38.324 1.00 16.37 N ATOM 640 CA LYS A 60 38.441 28.127 37.585 1.00 19.84 C ATOM 641 C LYS A 60 37.735 28.123 36.269 1.00 22.19 C ATOM 642 O LYS A 60 37.041 27.201 35.893 1.00 20.21 O ATOM 643 CB LYS A 60 39.911 27.851 37.204 1.00 21.28 C ATOM 644 CG LYS A 60 40.854 28.315 38.251 1.00 25.99 C ATOM 645 CD LYS A 60 42.267 27.999 37.766 1.00 26.41 C ATOM 646 CE LYS A 60 43.268 28.465 38.792 1.00 27.42 C ATOM 647 NZ LYS A 60 44.575 27.808 38.543 0.01 27.54 N ATOM 0 H LYS A 60 37.437 26.433 37.810 1.00 16.37 H new ATOM 0 HA LYS A 60 38.440 28.923 38.139 1.00 19.84 H new ATOM 0 HB2 LYS A 60 40.033 26.900 37.059 1.00 21.28 H new ATOM 0 HB3 LYS A 60 40.116 28.295 36.366 1.00 21.28 H new ATOM 0 HG2 LYS A 60 40.751 29.267 38.406 1.00 25.99 H new ATOM 0 HG3 LYS A 60 40.675 27.870 39.094 1.00 25.99 H new ATOM 0 HD2 LYS A 60 42.362 27.045 37.617 1.00 26.41 H new ATOM 0 HD3 LYS A 60 42.433 28.437 36.916 1.00 26.41 H new ATOM 0 HE2 LYS A 60 43.366 29.429 38.748 1.00 27.42 H new ATOM 0 HE3 LYS A 60 42.953 28.253 39.685 1.00 27.42 H new ATOM 0 HZ1 LYS A 60 45.166 28.083 39.149 0.01 27.54 H new ATOM 0 HZ2 LYS A 60 44.480 26.925 38.602 0.01 27.54 H new ATOM 0 HZ3 LYS A 60 44.864 28.021 37.729 0.01 27.54 H new ATOM 661 N SER A 61 37.976 29.175 35.582 1.00 26.27 N ATOM 662 CA SER A 61 37.366 29.327 34.261 1.00 30.52 C ATOM 663 C SER A 61 38.617 29.056 33.401 1.00 28.53 C ATOM 664 O SER A 61 39.685 29.496 33.780 1.00 34.32 O ATOM 665 CB SER A 61 36.844 30.776 34.202 1.00 33.63 C ATOM 666 OG SER A 61 35.888 30.759 33.145 1.00 37.55 O ATOM 0 H SER A 61 38.481 29.824 35.833 1.00 26.27 H new ATOM 0 HA SER A 61 36.615 28.770 34.002 1.00 30.52 H new ATOM 0 HB2 SER A 61 36.439 31.041 35.042 1.00 33.63 H new ATOM 0 HB3 SER A 61 37.561 31.404 34.022 1.00 33.63 H new ATOM 0 HG SER A 61 35.556 31.525 33.055 1.00 37.55 H new ATOM 672 N GLY A 62 38.498 28.348 32.321 1.00 26.87 N ATOM 673 CA GLY A 62 39.701 28.091 31.458 1.00 26.80 C ATOM 674 C GLY A 62 40.502 26.869 31.861 1.00 25.18 C ATOM 675 O GLY A 62 41.703 26.963 32.014 1.00 30.91 O ATOM 0 H GLY A 62 37.764 27.997 32.041 1.00 26.87 H new ATOM 0 HA2 GLY A 62 39.411 27.987 30.538 1.00 26.80 H new ATOM 0 HA3 GLY A 62 40.280 28.869 31.487 1.00 26.80 H new ATOM 679 N ILE A 63 39.839 25.767 32.006 1.00 20.31 N ATOM 680 CA ILE A 63 40.528 24.525 32.403 1.00 16.56 C ATOM 681 C ILE A 63 40.822 23.566 31.259 1.00 15.10 C ATOM 682 O ILE A 63 39.993 23.341 30.397 1.00 16.05 O ATOM 683 CB ILE A 63 39.613 23.831 33.466 1.00 17.58 C ATOM 684 CG1 ILE A 63 39.482 24.765 34.737 1.00 20.00 C ATOM 685 CG2 ILE A 63 40.134 22.401 33.875 1.00 17.78 C ATOM 686 CD1 ILE A 63 38.481 24.158 35.763 1.00 20.96 C ATOM 0 H ILE A 63 38.991 25.689 31.886 1.00 20.31 H new ATOM 0 HA ILE A 63 41.402 24.761 32.751 1.00 16.56 H new ATOM 0 HB ILE A 63 38.740 23.699 33.064 1.00 17.58 H new ATOM 0 HG12 ILE A 63 40.351 24.877 35.153 1.00 20.00 H new ATOM 0 HG13 ILE A 63 39.181 25.647 34.467 1.00 20.00 H new ATOM 0 HG21 ILE A 63 39.535 22.014 34.533 1.00 17.78 H new ATOM 0 HG22 ILE A 63 40.164 21.831 33.091 1.00 17.78 H new ATOM 0 HG23 ILE A 63 41.024 22.477 34.253 1.00 17.78 H new ATOM 0 HD11 ILE A 63 38.413 24.743 36.534 1.00 20.96 H new ATOM 0 HD12 ILE A 63 37.608 24.067 35.349 1.00 20.96 H new ATOM 0 HD13 ILE A 63 38.797 23.286 36.046 1.00 20.96 H new ATOM 698 N GLN A 64 42.007 23.026 31.292 1.00 14.05 N ATOM 699 CA GLN A 64 42.441 22.047 30.282 1.00 14.10 C ATOM 700 C GLN A 64 42.729 20.852 31.245 1.00 15.44 C ATOM 701 O GLN A 64 43.352 20.994 32.293 1.00 16.20 O ATOM 702 CB GLN A 64 43.756 22.406 29.554 1.00 15.38 C ATOM 703 CG GLN A 64 44.038 21.277 28.545 1.00 18.51 C ATOM 704 CD GLN A 64 45.385 21.518 27.875 1.00 20.57 C ATOM 705 OE1 GLN A 64 46.410 21.538 28.518 1.00 21.24 O ATOM 706 NE2 GLN A 64 45.440 21.709 26.599 1.00 20.50 N ATOM 0 H GLN A 64 42.598 23.202 31.892 1.00 14.05 H new ATOM 0 HA GLN A 64 41.800 21.933 29.563 1.00 14.10 H new ATOM 0 HB2 GLN A 64 43.674 23.259 29.100 1.00 15.38 H new ATOM 0 HB3 GLN A 64 44.486 22.490 30.187 1.00 15.38 H new ATOM 0 HG2 GLN A 64 44.040 20.419 28.997 1.00 18.51 H new ATOM 0 HG3 GLN A 64 43.335 21.244 27.877 1.00 18.51 H new ATOM 0 HE21 GLN A 64 44.719 21.697 26.131 1.00 20.50 H new ATOM 0 HE22 GLN A 64 46.198 21.848 26.217 1.00 20.50 H new ATOM 715 N VAL A 65 42.269 19.713 30.831 1.00 13.82 N ATOM 716 CA VAL A 65 42.424 18.469 31.605 1.00 15.01 C ATOM 717 C VAL A 65 43.577 17.736 30.929 1.00 14.88 C ATOM 718 O VAL A 65 43.617 17.675 29.719 1.00 15.82 O ATOM 719 CB VAL A 65 41.059 17.687 31.513 1.00 13.17 C ATOM 720 CG1 VAL A 65 41.159 16.341 32.186 1.00 16.00 C ATOM 721 CG2 VAL A 65 39.923 18.519 32.235 1.00 14.40 C ATOM 0 H VAL A 65 41.849 19.612 30.087 1.00 13.82 H new ATOM 0 HA VAL A 65 42.621 18.591 32.547 1.00 15.01 H new ATOM 0 HB VAL A 65 40.849 17.560 30.574 1.00 13.17 H new ATOM 0 HG11 VAL A 65 40.308 15.880 32.116 1.00 16.00 H new ATOM 0 HG12 VAL A 65 41.849 15.813 31.754 1.00 16.00 H new ATOM 0 HG13 VAL A 65 41.384 16.463 33.122 1.00 16.00 H new ATOM 0 HG21 VAL A 65 39.083 18.037 32.178 1.00 14.40 H new ATOM 0 HG22 VAL A 65 40.159 18.648 33.167 1.00 14.40 H new ATOM 0 HG23 VAL A 65 39.830 19.383 31.803 1.00 14.40 H new ATOM 731 N ARG A 66 44.467 17.221 31.722 1.00 13.92 N ATOM 732 CA ARG A 66 45.617 16.479 31.174 1.00 15.25 C ATOM 733 C ARG A 66 45.506 15.076 31.815 1.00 16.13 C ATOM 734 O ARG A 66 45.529 14.962 33.040 1.00 15.31 O ATOM 735 CB ARG A 66 46.934 17.202 31.575 1.00 14.26 C ATOM 736 CG ARG A 66 46.953 18.585 30.938 1.00 14.79 C ATOM 737 CD ARG A 66 48.307 19.266 31.110 1.00 15.30 C ATOM 738 NE ARG A 66 48.324 20.477 30.246 1.00 16.30 N ATOM 739 CZ ARG A 66 49.394 20.872 29.616 1.00 17.29 C ATOM 740 NH1 ARG A 66 50.560 20.482 30.027 1.00 18.22 N ATOM 741 NH2 ARG A 66 49.279 21.663 28.581 1.00 18.55 N ATOM 0 H ARG A 66 44.446 17.276 32.580 1.00 13.92 H new ATOM 0 HA ARG A 66 45.622 16.422 30.206 1.00 15.25 H new ATOM 0 HB2 ARG A 66 46.995 17.277 32.540 1.00 14.26 H new ATOM 0 HB3 ARG A 66 47.702 16.687 31.281 1.00 14.26 H new ATOM 0 HG2 ARG A 66 46.746 18.509 29.993 1.00 14.79 H new ATOM 0 HG3 ARG A 66 46.261 19.135 31.337 1.00 14.79 H new ATOM 0 HD2 ARG A 66 48.449 19.509 32.038 1.00 15.30 H new ATOM 0 HD3 ARG A 66 49.025 18.662 30.862 1.00 15.30 H new ATOM 0 HE ARG A 66 47.600 20.934 30.159 1.00 16.30 H new ATOM 0 HH11 ARG A 66 50.624 19.966 30.712 1.00 18.22 H new ATOM 0 HH12 ARG A 66 51.270 20.740 29.615 1.00 18.22 H new ATOM 0 HH21 ARG A 66 48.501 21.919 28.320 1.00 18.55 H new ATOM 0 HH22 ARG A 66 49.982 21.927 28.161 1.00 18.55 H new ATOM 755 N LEU A 67 45.375 14.094 30.936 1.00 14.12 N ATOM 756 CA LEU A 67 45.262 12.663 31.284 1.00 14.03 C ATOM 757 C LEU A 67 46.579 11.960 30.872 1.00 14.96 C ATOM 758 O LEU A 67 47.276 12.462 30.021 1.00 17.75 O ATOM 759 CB ALEU A 67 44.127 12.004 30.484 0.62 15.30 C ATOM 760 CB BLEU A 67 44.095 11.990 30.524 0.44 13.99 C ATOM 761 CG ALEU A 67 42.860 12.851 30.455 0.62 15.62 C ATOM 762 CG BLEU A 67 42.757 12.705 30.803 0.44 14.58 C ATOM 763 CD1ALEU A 67 41.857 12.231 29.454 0.62 18.77 C ATOM 764 CD1BLEU A 67 42.444 13.722 29.669 0.44 14.25 C ATOM 765 CD2ALEU A 67 42.238 12.871 31.867 0.62 17.80 C ATOM 766 CD2BLEU A 67 41.619 11.662 30.922 0.44 16.49 C ATOM 0 H LEU A 67 45.347 14.236 30.088 1.00 14.12 H new ATOM 0 HA LEU A 67 45.087 12.583 32.235 1.00 14.03 H new ATOM 0 HB2ALEU A 67 44.427 11.845 29.575 0.62 13.99 H new ATOM 0 HB2BLEU A 67 44.278 12.001 29.571 0.44 13.99 H new ATOM 0 HB3ALEU A 67 43.924 11.138 30.871 0.62 13.99 H new ATOM 0 HB3BLEU A 67 44.028 11.059 30.789 0.44 13.99 H new ATOM 0 HG ALEU A 67 43.072 13.757 30.180 0.62 14.58 H new ATOM 0 HG BLEU A 67 42.826 13.190 31.640 0.44 14.58 H new ATOM 0 HD11ALEU A 67 41.049 12.767 29.432 0.62 14.25 H new ATOM 0 HD11BLEU A 67 41.601 14.165 29.855 0.44 14.25 H new ATOM 0 HD12ALEU A 67 42.254 12.209 28.569 0.62 14.25 H new ATOM 0 HD12BLEU A 67 43.153 14.383 29.622 0.44 14.25 H new ATOM 0 HD13ALEU A 67 41.638 11.328 29.732 0.62 14.25 H new ATOM 0 HD13BLEU A 67 42.382 13.254 28.822 0.44 14.25 H new ATOM 0 HD21ALEU A 67 41.430 13.408 31.858 0.62 16.49 H new ATOM 0 HD21BLEU A 67 40.780 12.117 31.097 0.44 16.49 H new ATOM 0 HD22ALEU A 67 42.020 11.965 32.138 0.62 16.49 H new ATOM 0 HD22BLEU A 67 41.549 11.163 30.093 0.44 16.49 H new ATOM 0 HD23ALEU A 67 42.872 13.252 32.495 0.62 16.49 H new ATOM 0 HD23BLEU A 67 41.814 11.052 31.650 0.44 16.49 H new ATOM 787 N GLY A 69 46.872 10.819 31.479 1.00 16.50 N ATOM 788 CA GLY A 69 48.099 10.010 31.176 1.00 16.47 C ATOM 789 C GLY A 69 49.355 10.670 31.621 1.00 17.67 C ATOM 790 O GLY A 69 50.424 10.434 31.076 1.00 19.38 O ATOM 0 H GLY A 69 46.373 10.471 32.087 1.00 16.50 H new ATOM 0 HA2 GLY A 69 48.024 9.144 31.607 1.00 16.47 H new ATOM 0 HA3 GLY A 69 48.146 9.848 30.221 1.00 16.47 H new ATOM 794 N GLU A 70 49.220 11.474 32.629 1.00 19.00 N ATOM 795 CA GLU A 70 50.399 12.193 33.142 1.00 20.66 C ATOM 796 C GLU A 70 51.125 11.477 34.232 1.00 22.98 C ATOM 797 O GLU A 70 50.518 10.794 35.023 1.00 21.09 O ATOM 798 CB GLU A 70 50.037 13.590 33.788 1.00 22.36 C ATOM 799 CG GLU A 70 49.637 14.671 32.736 1.00 25.63 C ATOM 800 CD GLU A 70 50.892 15.306 32.074 1.00 27.70 C ATOM 801 OE1 GLU A 70 51.940 14.724 32.251 1.00 24.22 O ATOM 802 OE2 GLU A 70 50.739 16.328 31.428 1.00 28.69 O ATOM 0 H GLU A 70 48.482 11.632 33.040 1.00 19.00 H new ATOM 0 HA GLU A 70 50.946 12.278 32.345 1.00 20.66 H new ATOM 0 HB2 GLU A 70 49.305 13.470 34.414 1.00 22.36 H new ATOM 0 HB3 GLU A 70 50.797 13.910 34.298 1.00 22.36 H new ATOM 0 HG2 GLU A 70 49.077 14.269 32.053 1.00 25.63 H new ATOM 0 HG3 GLU A 70 49.110 15.363 33.165 1.00 25.63 H new ATOM 809 N ASP A 71 52.411 11.708 34.173 1.00 25.52 N ATOM 810 CA ASP A 71 53.362 11.153 35.165 1.00 26.47 C ATOM 811 C ASP A 71 54.162 12.450 35.526 1.00 26.02 C ATOM 812 O ASP A 71 53.955 13.046 36.572 1.00 25.06 O ATOM 813 CB ASP A 71 54.295 10.058 34.572 1.00 26.35 C ATOM 814 CG ASP A 71 55.232 9.675 35.764 1.00 31.77 C ATOM 815 OD1 ASP A 71 54.758 9.504 36.879 1.00 34.38 O ATOM 816 OD2 ASP A 71 56.409 9.568 35.505 1.00 35.89 O ATOM 0 H ASP A 71 52.781 12.189 33.564 1.00 25.52 H new ATOM 0 HA ASP A 71 52.936 10.700 35.910 1.00 26.47 H new ATOM 0 HB2 ASP A 71 53.789 9.292 34.257 1.00 26.35 H new ATOM 0 HB3 ASP A 71 54.801 10.394 33.816 1.00 26.35 H new ATOM 821 N ASN A 72 55.046 12.877 34.652 1.00 23.38 N ATOM 822 CA ASN A 72 55.825 14.125 34.946 1.00 22.15 C ATOM 823 C ASN A 72 54.978 15.256 34.299 1.00 21.51 C ATOM 824 O ASN A 72 54.733 15.231 33.084 1.00 20.02 O ATOM 825 CB ASN A 72 57.202 14.051 34.294 1.00 22.76 C ATOM 826 CG ASN A 72 57.990 15.274 34.756 1.00 23.85 C ATOM 827 OD1 ASN A 72 57.463 16.362 34.764 1.00 21.91 O ATOM 828 ND2 ASN A 72 59.224 15.174 35.141 1.00 23.69 N ATOM 0 H ASN A 72 55.226 12.496 33.902 1.00 23.38 H new ATOM 0 HA ASN A 72 55.972 14.264 35.895 1.00 22.15 H new ATOM 0 HB2 ASN A 72 57.658 13.234 34.550 1.00 22.76 H new ATOM 0 HB3 ASN A 72 57.122 14.041 33.327 1.00 22.76 H new ATOM 0 HD21 ASN A 72 59.653 15.874 35.396 1.00 23.69 H new ATOM 0 HD22 ASN A 72 59.614 14.407 35.141 1.00 23.69 H new ATOM 835 N ILE A 73 54.532 16.206 35.060 1.00 19.76 N ATOM 836 CA ILE A 73 53.698 17.312 34.468 1.00 19.84 C ATOM 837 C ILE A 73 54.487 18.363 33.720 1.00 17.00 C ATOM 838 O ILE A 73 53.897 19.231 33.105 1.00 16.47 O ATOM 839 CB ILE A 73 52.896 17.994 35.579 1.00 20.61 C ATOM 840 CG1 ILE A 73 53.833 18.407 36.758 1.00 22.99 C ATOM 841 CG2 ILE A 73 51.807 17.004 36.030 1.00 20.32 C ATOM 842 CD1 ILE A 73 53.025 19.161 37.856 1.00 23.98 C ATOM 0 H ILE A 73 54.674 16.266 35.906 1.00 19.76 H new ATOM 0 HA ILE A 73 53.121 16.887 33.815 1.00 19.84 H new ATOM 0 HB ILE A 73 52.483 18.811 35.260 1.00 20.61 H new ATOM 0 HG12 ILE A 73 54.250 17.618 37.139 1.00 22.99 H new ATOM 0 HG13 ILE A 73 54.548 18.974 36.428 1.00 22.99 H new ATOM 0 HG21 ILE A 73 51.277 17.405 36.737 1.00 20.32 H new ATOM 0 HG22 ILE A 73 51.233 16.790 35.278 1.00 20.32 H new ATOM 0 HG23 ILE A 73 52.224 16.193 36.360 1.00 20.32 H new ATOM 0 HD11 ILE A 73 53.619 19.411 38.581 1.00 23.98 H new ATOM 0 HD12 ILE A 73 52.627 19.959 37.475 1.00 23.98 H new ATOM 0 HD13 ILE A 73 52.325 18.583 38.197 1.00 23.98 H new ATOM 854 N ASN A 74 55.778 18.243 33.789 1.00 16.80 N ATOM 855 CA ASN A 74 56.656 19.207 33.093 1.00 17.24 C ATOM 856 C ASN A 74 57.324 18.604 31.876 1.00 16.93 C ATOM 857 O ASN A 74 58.099 19.293 31.235 1.00 18.41 O ATOM 858 CB ASN A 74 57.764 19.718 34.025 1.00 17.15 C ATOM 859 CG ASN A 74 57.287 20.911 34.843 1.00 20.41 C ATOM 860 OD1 ASN A 74 56.456 21.707 34.415 1.00 18.46 O ATOM 861 ND2 ASN A 74 57.796 21.095 36.030 1.00 20.65 N ATOM 0 H ASN A 74 56.189 17.625 34.223 1.00 16.80 H new ATOM 0 HA ASN A 74 56.079 19.935 32.815 1.00 17.24 H new ATOM 0 HB2 ASN A 74 58.044 19.005 34.620 1.00 17.15 H new ATOM 0 HB3 ASN A 74 58.540 19.971 33.501 1.00 17.15 H new ATOM 0 HD21 ASN A 74 57.549 21.769 36.504 1.00 20.65 H new ATOM 0 HD22 ASN A 74 58.379 20.543 36.338 1.00 20.65 H new ATOM 868 N VAL A 75 57.029 17.360 31.590 1.00 15.80 N ATOM 869 CA VAL A 75 57.644 16.681 30.394 1.00 16.02 C ATOM 870 C VAL A 75 56.628 15.935 29.577 1.00 14.75 C ATOM 871 O VAL A 75 55.931 15.112 30.146 1.00 16.00 O ATOM 872 CB VAL A 75 58.749 15.658 30.835 1.00 16.83 C ATOM 873 CG1 VAL A 75 59.349 15.026 29.551 1.00 18.11 C ATOM 874 CG2 VAL A 75 59.910 16.394 31.624 1.00 16.09 C ATOM 0 H VAL A 75 56.489 16.871 32.046 1.00 15.80 H new ATOM 0 HA VAL A 75 58.030 17.389 29.855 1.00 16.02 H new ATOM 0 HB VAL A 75 58.356 14.986 31.414 1.00 16.83 H new ATOM 0 HG11 VAL A 75 60.037 14.388 29.795 1.00 18.11 H new ATOM 0 HG12 VAL A 75 58.649 14.573 29.056 1.00 18.11 H new ATOM 0 HG13 VAL A 75 59.737 15.722 28.998 1.00 18.11 H new ATOM 0 HG21 VAL A 75 60.583 15.747 31.888 1.00 16.09 H new ATOM 0 HG22 VAL A 75 60.315 17.066 31.053 1.00 16.09 H new ATOM 0 HG23 VAL A 75 59.544 16.821 32.415 1.00 16.09 H new ATOM 884 N VAL A 76 56.506 16.149 28.312 1.00 17.78 N ATOM 885 CA VAL A 76 55.508 15.409 27.497 1.00 20.42 C ATOM 886 C VAL A 76 56.269 14.122 27.186 1.00 23.39 C ATOM 887 O VAL A 76 57.215 14.141 26.434 1.00 24.30 O ATOM 888 CB VAL A 76 55.191 16.163 26.204 1.00 22.97 C ATOM 889 CG1 VAL A 76 54.152 15.349 25.353 1.00 21.87 C ATOM 890 CG2 VAL A 76 54.605 17.564 26.560 1.00 23.47 C ATOM 0 H VAL A 76 56.979 16.716 27.871 1.00 17.78 H new ATOM 0 HA VAL A 76 54.655 15.278 27.940 1.00 20.42 H new ATOM 0 HB VAL A 76 56.003 16.273 25.684 1.00 22.97 H new ATOM 0 HG11 VAL A 76 53.955 15.831 24.535 1.00 21.87 H new ATOM 0 HG12 VAL A 76 54.523 14.480 25.134 1.00 21.87 H new ATOM 0 HG13 VAL A 76 53.336 15.232 25.864 1.00 21.87 H new ATOM 0 HG21 VAL A 76 54.402 18.047 25.744 1.00 23.47 H new ATOM 0 HG22 VAL A 76 53.794 17.453 27.080 1.00 23.47 H new ATOM 0 HG23 VAL A 76 55.255 18.064 27.078 1.00 23.47 H new ATOM 900 N GLU A 77 55.841 13.035 27.763 1.00 27.21 N ATOM 901 CA GLU A 77 56.519 11.740 27.543 1.00 31.15 C ATOM 902 C GLU A 77 55.791 10.868 26.540 1.00 34.14 C ATOM 903 O GLU A 77 56.138 9.712 26.428 1.00 39.29 O ATOM 904 CB GLU A 77 56.659 11.023 28.950 1.00 31.20 C ATOM 905 CG GLU A 77 57.647 11.872 29.859 1.00 33.62 C ATOM 906 CD GLU A 77 57.643 11.406 31.332 1.00 35.95 C ATOM 907 OE1 GLU A 77 56.837 11.865 32.128 1.00 33.64 O ATOM 908 OE2 GLU A 77 58.495 10.571 31.574 1.00 43.73 O ATOM 0 H GLU A 77 55.162 13.001 28.290 1.00 27.21 H new ATOM 0 HA GLU A 77 57.395 11.896 27.157 1.00 31.15 H new ATOM 0 HB2 GLU A 77 55.791 10.947 29.377 1.00 31.20 H new ATOM 0 HB3 GLU A 77 56.998 10.122 28.836 1.00 31.20 H new ATOM 0 HG2 GLU A 77 58.547 11.804 29.504 1.00 33.62 H new ATOM 0 HG3 GLU A 77 57.396 12.808 29.818 1.00 33.62 H new ATOM 915 N GLY A 78 54.820 11.383 25.836 1.00 34.60 N ATOM 916 CA GLY A 78 54.139 10.482 24.843 1.00 35.40 C ATOM 917 C GLY A 78 52.789 9.918 25.233 1.00 35.38 C ATOM 918 O GLY A 78 52.000 9.694 24.338 1.00 35.77 O ATOM 0 H GLY A 78 54.530 12.191 25.884 1.00 34.60 H new ATOM 0 HA2 GLY A 78 54.031 10.975 24.015 1.00 35.40 H new ATOM 0 HA3 GLY A 78 54.733 9.738 24.655 1.00 35.40 H new ATOM 922 N ASN A 79 52.502 9.693 26.495 1.00 32.31 N ATOM 923 CA ASN A 79 51.158 9.125 26.802 1.00 32.42 C ATOM 924 C ASN A 79 50.153 10.144 27.284 1.00 29.69 C ATOM 925 O ASN A 79 49.242 9.783 28.006 1.00 32.68 O ATOM 926 CB ASN A 79 51.246 8.093 27.890 1.00 36.65 C ATOM 927 CG ASN A 79 52.370 7.135 27.621 1.00 39.20 C ATOM 928 OD1 ASN A 79 53.383 7.232 28.284 1.00 40.92 O ATOM 929 ND2 ASN A 79 52.242 6.223 26.698 1.00 40.60 N ATOM 0 H ASN A 79 53.017 9.842 27.167 1.00 32.31 H new ATOM 0 HA ASN A 79 50.861 8.753 25.957 1.00 32.42 H new ATOM 0 HB2 ASN A 79 51.384 8.529 28.746 1.00 36.65 H new ATOM 0 HB3 ASN A 79 50.408 7.608 27.951 1.00 36.65 H new ATOM 0 HD21 ASN A 79 52.884 5.671 26.547 1.00 40.60 H new ATOM 0 HD22 ASN A 79 51.515 6.173 26.241 1.00 40.60 H new ATOM 936 N GLU A 80 50.262 11.366 26.893 1.00 25.29 N ATOM 937 CA GLU A 80 49.256 12.324 27.420 1.00 22.02 C ATOM 938 C GLU A 80 48.188 12.677 26.458 1.00 21.06 C ATOM 939 O GLU A 80 48.372 12.541 25.276 1.00 20.15 O ATOM 940 CB GLU A 80 49.873 13.658 27.809 1.00 22.02 C ATOM 941 CG GLU A 80 50.974 13.479 28.850 1.00 22.13 C ATOM 942 CD GLU A 80 52.375 13.233 28.225 1.00 22.28 C ATOM 943 OE1 GLU A 80 52.519 12.785 27.112 1.00 21.57 O ATOM 944 OE2 GLU A 80 53.295 13.514 28.931 1.00 19.86 O ATOM 0 H GLU A 80 50.857 11.682 26.359 1.00 25.29 H new ATOM 0 HA GLU A 80 48.889 11.846 28.180 1.00 22.02 H new ATOM 0 HB2 GLU A 80 50.238 14.090 27.021 1.00 22.02 H new ATOM 0 HB3 GLU A 80 49.185 14.244 28.161 1.00 22.02 H new ATOM 0 HG2 GLU A 80 51.011 14.269 29.412 1.00 22.13 H new ATOM 0 HG3 GLU A 80 50.748 12.732 29.426 1.00 22.13 H new ATOM 951 N GLN A 81 47.114 13.114 27.038 1.00 19.12 N ATOM 952 CA GLN A 81 45.923 13.561 26.309 1.00 18.28 C ATOM 953 C GLN A 81 45.615 14.876 27.034 1.00 17.39 C ATOM 954 O GLN A 81 45.394 14.827 28.231 1.00 15.68 O ATOM 955 CB GLN A 81 44.708 12.618 26.468 1.00 18.31 C ATOM 956 CG GLN A 81 44.990 11.324 25.727 1.00 18.76 C ATOM 957 CD GLN A 81 43.789 10.399 25.828 1.00 19.18 C ATOM 958 OE1 GLN A 81 42.703 10.771 25.443 1.00 21.05 O ATOM 959 NE2 GLN A 81 43.914 9.211 26.328 1.00 20.22 N ATOM 0 H GLN A 81 47.033 13.169 27.892 1.00 19.12 H new ATOM 0 HA GLN A 81 46.078 13.612 25.353 1.00 18.28 H new ATOM 0 HB2 GLN A 81 44.544 12.438 27.407 1.00 18.31 H new ATOM 0 HB3 GLN A 81 43.908 13.039 26.116 1.00 18.31 H new ATOM 0 HG2 GLN A 81 45.187 11.511 24.796 1.00 18.76 H new ATOM 0 HG3 GLN A 81 45.774 10.892 26.101 1.00 18.76 H new ATOM 0 HE21 GLN A 81 44.682 8.939 26.604 1.00 20.22 H new ATOM 0 HE22 GLN A 81 43.229 8.694 26.384 1.00 20.22 H new ATOM 968 N PHE A 82 45.623 15.988 26.338 1.00 15.97 N ATOM 969 CA PHE A 82 45.325 17.331 26.914 1.00 16.40 C ATOM 970 C PHE A 82 43.961 17.677 26.273 1.00 17.11 C ATOM 971 O PHE A 82 43.876 17.879 25.075 1.00 19.57 O ATOM 972 CB PHE A 82 46.423 18.312 26.487 1.00 15.37 C ATOM 973 CG PHE A 82 47.803 17.982 27.087 1.00 16.72 C ATOM 974 CD1 PHE A 82 48.915 18.608 26.570 1.00 18.72 C ATOM 975 CD2 PHE A 82 47.999 17.089 28.132 1.00 18.74 C ATOM 976 CE1 PHE A 82 50.171 18.353 27.072 1.00 18.86 C ATOM 977 CE2 PHE A 82 49.261 16.830 28.641 1.00 18.70 C ATOM 978 CZ PHE A 82 50.351 17.469 28.102 1.00 17.61 C ATOM 0 H PHE A 82 45.803 16.010 25.497 1.00 15.97 H new ATOM 0 HA PHE A 82 45.295 17.364 27.883 1.00 16.40 H new ATOM 0 HB2 PHE A 82 46.490 18.312 25.519 1.00 15.37 H new ATOM 0 HB3 PHE A 82 46.168 19.209 26.753 1.00 15.37 H new ATOM 0 HD1 PHE A 82 48.816 19.213 25.870 1.00 18.72 H new ATOM 0 HD2 PHE A 82 47.264 16.654 28.500 1.00 18.74 H new ATOM 0 HE1 PHE A 82 50.908 18.787 26.706 1.00 18.86 H new ATOM 0 HE2 PHE A 82 49.369 16.228 29.342 1.00 18.70 H new ATOM 0 HZ PHE A 82 51.204 17.303 28.434 1.00 17.61 H new ATOM 988 N ILE A 83 42.914 17.732 27.039 1.00 15.28 N ATOM 989 CA ILE A 83 41.561 18.051 26.483 1.00 16.52 C ATOM 990 C ILE A 83 40.947 19.197 27.254 1.00 16.82 C ATOM 991 O ILE A 83 40.979 19.228 28.468 1.00 15.34 O ATOM 992 CB ILE A 83 40.673 16.793 26.599 1.00 16.72 C ATOM 993 CG1 ILE A 83 41.353 15.588 25.878 1.00 16.56 C ATOM 994 CG2 ILE A 83 39.324 17.113 25.919 1.00 17.52 C ATOM 995 CD1 ILE A 83 40.631 14.309 26.263 1.00 17.33 C ATOM 0 H ILE A 83 42.929 17.593 27.888 1.00 15.28 H new ATOM 0 HA ILE A 83 41.636 18.313 25.552 1.00 16.52 H new ATOM 0 HB ILE A 83 40.542 16.555 27.530 1.00 16.72 H new ATOM 0 HG12 ILE A 83 41.323 15.713 24.917 1.00 16.56 H new ATOM 0 HG13 ILE A 83 42.289 15.533 26.128 1.00 16.56 H new ATOM 0 HG21 ILE A 83 38.741 16.339 25.975 1.00 17.52 H new ATOM 0 HG22 ILE A 83 38.906 17.865 26.367 1.00 17.52 H new ATOM 0 HG23 ILE A 83 39.476 17.336 24.987 1.00 17.52 H new ATOM 0 HD11 ILE A 83 41.049 13.555 25.818 1.00 17.33 H new ATOM 0 HD12 ILE A 83 40.681 14.185 27.224 1.00 17.33 H new ATOM 0 HD13 ILE A 83 39.701 14.368 25.993 1.00 17.33 H new ATOM 1007 N SER A 84 40.378 20.121 26.549 1.00 15.88 N ATOM 1008 CA SER A 84 39.772 21.257 27.276 1.00 18.37 C ATOM 1009 C SER A 84 38.393 20.832 27.764 1.00 16.68 C ATOM 1010 O SER A 84 37.768 19.941 27.210 1.00 14.96 O ATOM 1011 CB SER A 84 39.626 22.477 26.341 1.00 21.45 C ATOM 1012 OG SER A 84 40.955 22.815 25.922 1.00 25.74 O ATOM 0 H SER A 84 40.317 20.139 25.691 1.00 15.88 H new ATOM 0 HA SER A 84 40.339 21.504 28.023 1.00 18.37 H new ATOM 0 HB2 SER A 84 39.065 22.265 25.579 1.00 21.45 H new ATOM 0 HB3 SER A 84 39.208 23.220 26.803 1.00 21.45 H new ATOM 0 HG SER A 84 40.926 23.478 25.406 1.00 25.74 H new ATOM 1018 N ALA A 85 37.999 21.530 28.792 1.00 15.48 N ATOM 1019 CA ALA A 85 36.689 21.285 29.418 1.00 16.68 C ATOM 1020 C ALA A 85 35.647 22.113 28.641 1.00 18.33 C ATOM 1021 O ALA A 85 35.946 23.235 28.244 1.00 15.96 O ATOM 1022 CB ALA A 85 36.721 21.743 30.870 1.00 16.35 C ATOM 0 H ALA A 85 38.461 22.156 29.158 1.00 15.48 H new ATOM 0 HA ALA A 85 36.468 20.341 29.395 1.00 16.68 H new ATOM 0 HB1 ALA A 85 35.857 21.581 31.280 1.00 16.35 H new ATOM 0 HB2 ALA A 85 37.404 21.249 31.350 1.00 16.35 H new ATOM 0 HB3 ALA A 85 36.922 22.691 30.906 1.00 16.35 H new ATOM 1028 N SER A 86 34.479 21.530 28.474 1.00 18.88 N ATOM 1029 CA SER A 86 33.344 22.189 27.745 1.00 17.83 C ATOM 1030 C SER A 86 32.476 22.865 28.799 1.00 18.11 C ATOM 1031 O SER A 86 31.889 23.901 28.511 1.00 17.14 O ATOM 1032 CB SER A 86 32.462 21.153 26.942 1.00 17.67 C ATOM 1033 OG SER A 86 32.135 20.004 27.730 1.00 20.25 O ATOM 0 H SER A 86 34.295 20.743 28.769 1.00 18.88 H new ATOM 0 HA SER A 86 33.703 22.817 27.099 1.00 17.83 H new ATOM 0 HB2 SER A 86 31.645 21.585 26.647 1.00 17.67 H new ATOM 0 HB3 SER A 86 32.939 20.873 26.145 1.00 17.67 H new ATOM 0 HG SER A 86 31.666 19.476 27.275 1.00 20.25 H new ATOM 1039 N LYS A 87 32.396 22.238 29.957 1.00 13.32 N ATOM 1040 CA LYS A 87 31.593 22.830 31.052 1.00 15.81 C ATOM 1041 C LYS A 87 31.988 22.298 32.454 1.00 15.22 C ATOM 1042 O LYS A 87 32.560 21.224 32.578 1.00 16.41 O ATOM 1043 CB LYS A 87 30.097 22.568 30.788 1.00 20.02 C ATOM 1044 CG LYS A 87 29.609 21.149 30.906 1.00 23.39 C ATOM 1045 CD LYS A 87 28.108 21.155 30.500 1.00 27.72 C ATOM 1046 CE LYS A 87 27.205 22.155 31.310 1.00 29.91 C ATOM 1047 NZ LYS A 87 25.802 22.163 30.762 1.00 31.79 N ATOM 0 H LYS A 87 32.780 21.491 30.142 1.00 13.32 H new ATOM 0 HA LYS A 87 31.774 23.783 31.059 1.00 15.81 H new ATOM 0 HB2 LYS A 87 29.584 23.113 31.405 1.00 20.02 H new ATOM 0 HB3 LYS A 87 29.891 22.882 29.894 1.00 20.02 H new ATOM 0 HG2 LYS A 87 30.119 20.560 30.328 1.00 23.39 H new ATOM 0 HG3 LYS A 87 29.719 20.822 31.812 1.00 23.39 H new ATOM 0 HD2 LYS A 87 28.043 21.373 29.557 1.00 27.72 H new ATOM 0 HD3 LYS A 87 27.754 20.259 30.610 1.00 27.72 H new ATOM 0 HE2 LYS A 87 27.191 21.901 32.246 1.00 29.91 H new ATOM 0 HE3 LYS A 87 27.581 23.048 31.264 1.00 29.91 H new ATOM 0 HZ1 LYS A 87 25.438 22.965 30.889 1.00 31.79 H new ATOM 0 HZ2 LYS A 87 25.822 21.981 29.891 1.00 31.79 H new ATOM 0 HZ3 LYS A 87 25.315 21.547 31.182 1.00 31.79 H new ATOM 1061 N SER A 88 31.647 23.095 33.428 1.00 14.30 N ATOM 1062 CA SER A 88 31.925 22.760 34.847 1.00 15.64 C ATOM 1063 C SER A 88 30.631 22.944 35.638 1.00 14.94 C ATOM 1064 O SER A 88 29.911 23.902 35.378 1.00 13.98 O ATOM 1065 CB SER A 88 32.966 23.689 35.468 1.00 18.06 C ATOM 1066 OG SER A 88 34.149 23.297 34.807 1.00 23.09 O ATOM 0 H SER A 88 31.248 23.848 33.313 1.00 14.30 H new ATOM 0 HA SER A 88 32.261 21.851 34.877 1.00 15.64 H new ATOM 0 HB2 SER A 88 32.757 24.623 35.312 1.00 18.06 H new ATOM 0 HB3 SER A 88 33.031 23.569 36.428 1.00 18.06 H new ATOM 0 HG SER A 88 34.792 23.761 35.085 1.00 23.09 H new ATOM 1072 N ILE A 89 30.396 22.038 36.556 1.00 13.07 N ATOM 1073 CA ILE A 89 29.180 22.095 37.407 1.00 12.42 C ATOM 1074 C ILE A 89 29.634 21.945 38.866 1.00 12.22 C ATOM 1075 O ILE A 89 30.077 20.886 39.267 1.00 9.69 O ATOM 1076 CB ILE A 89 28.218 20.950 37.032 1.00 12.68 C ATOM 1077 CG1 ILE A 89 27.928 20.972 35.488 1.00 14.06 C ATOM 1078 CG2 ILE A 89 26.903 21.191 37.807 1.00 13.35 C ATOM 1079 CD1 ILE A 89 27.213 19.666 35.043 1.00 14.75 C ATOM 0 H ILE A 89 30.915 21.372 36.720 1.00 13.07 H new ATOM 0 HA ILE A 89 28.711 22.935 37.279 1.00 12.42 H new ATOM 0 HB ILE A 89 28.606 20.090 37.256 1.00 12.68 H new ATOM 0 HG12 ILE A 89 27.376 21.739 35.269 1.00 14.06 H new ATOM 0 HG13 ILE A 89 28.760 21.073 35.000 1.00 14.06 H new ATOM 0 HG21 ILE A 89 26.269 20.488 37.596 1.00 13.35 H new ATOM 0 HG22 ILE A 89 27.084 21.188 38.760 1.00 13.35 H new ATOM 0 HG23 ILE A 89 26.529 22.049 37.552 1.00 13.35 H new ATOM 0 HD11 ILE A 89 27.043 19.699 34.089 1.00 14.75 H new ATOM 0 HD12 ILE A 89 27.777 18.903 35.244 1.00 14.75 H new ATOM 0 HD13 ILE A 89 26.372 19.580 35.518 1.00 14.75 H new ATOM 1091 N VAL A 90 29.525 22.988 39.624 1.00 12.02 N ATOM 1092 CA VAL A 90 29.937 22.913 41.048 1.00 9.81 C ATOM 1093 C VAL A 90 28.664 22.439 41.756 1.00 12.28 C ATOM 1094 O VAL A 90 27.565 22.768 41.347 1.00 12.66 O ATOM 1095 CB VAL A 90 30.349 24.305 41.471 1.00 11.85 C ATOM 1096 CG1 VAL A 90 30.438 24.400 43.001 1.00 14.02 C ATOM 1097 CG2 VAL A 90 31.687 24.738 40.783 1.00 11.40 C ATOM 0 H VAL A 90 29.224 23.752 39.369 1.00 12.02 H new ATOM 0 HA VAL A 90 30.682 22.323 41.242 1.00 9.81 H new ATOM 0 HB VAL A 90 29.666 24.927 41.175 1.00 11.85 H new ATOM 0 HG11 VAL A 90 30.703 25.298 43.255 1.00 14.02 H new ATOM 0 HG12 VAL A 90 29.572 24.197 43.389 1.00 14.02 H new ATOM 0 HG13 VAL A 90 31.095 23.765 43.327 1.00 14.02 H new ATOM 0 HG21 VAL A 90 31.925 25.633 41.073 1.00 11.40 H new ATOM 0 HG22 VAL A 90 32.393 24.120 41.030 1.00 11.40 H new ATOM 0 HG23 VAL A 90 31.573 24.730 39.820 1.00 11.40 H new ATOM 1107 N HIS A 91 28.820 21.690 42.801 1.00 10.77 N ATOM 1108 CA HIS A 91 27.633 21.190 43.530 1.00 11.79 C ATOM 1109 C HIS A 91 26.675 22.345 43.940 1.00 12.24 C ATOM 1110 O HIS A 91 27.142 23.368 44.411 1.00 13.28 O ATOM 1111 CB HIS A 91 28.122 20.437 44.779 1.00 13.40 C ATOM 1112 CG HIS A 91 26.985 19.694 45.448 1.00 13.75 C ATOM 1113 ND1 HIS A 91 26.211 20.264 46.355 1.00 16.48 N ATOM 1114 CD2 HIS A 91 26.592 18.394 45.205 1.00 14.36 C ATOM 1115 CE1 HIS A 91 25.352 19.326 46.660 1.00 15.37 C ATOM 1116 NE2 HIS A 91 25.576 18.244 45.989 1.00 15.04 N ATOM 0 H HIS A 91 29.579 21.447 43.123 1.00 10.77 H new ATOM 0 HA HIS A 91 27.129 20.600 42.948 1.00 11.79 H new ATOM 0 HB2 HIS A 91 28.819 19.810 44.530 1.00 13.40 H new ATOM 0 HB3 HIS A 91 28.515 21.065 45.405 1.00 13.40 H new ATOM 0 HD2 HIS A 91 26.967 17.776 44.620 1.00 14.36 H new ATOM 0 HE1 HIS A 91 24.667 19.425 47.281 1.00 15.37 H new ATOM 0 HE2 HIS A 91 25.112 17.523 46.055 1.00 15.04 H new ATOM 1124 N PRO A 92 25.376 22.180 43.770 1.00 13.49 N ATOM 1125 CA PRO A 92 24.362 23.193 44.158 1.00 14.77 C ATOM 1126 C PRO A 92 24.501 23.756 45.586 1.00 13.70 C ATOM 1127 O PRO A 92 24.236 24.915 45.826 1.00 14.98 O ATOM 1128 CB PRO A 92 23.006 22.492 43.914 1.00 15.02 C ATOM 1129 CG PRO A 92 23.346 21.006 43.921 1.00 16.01 C ATOM 1130 CD PRO A 92 24.690 20.994 43.203 1.00 13.75 C ATOM 0 HA PRO A 92 24.471 23.998 43.628 1.00 14.77 H new ATOM 0 HB2 PRO A 92 22.364 22.712 44.607 1.00 15.02 H new ATOM 0 HB3 PRO A 92 22.615 22.762 43.069 1.00 15.02 H new ATOM 0 HG2 PRO A 92 23.411 20.651 44.821 1.00 16.01 H new ATOM 0 HG3 PRO A 92 22.679 20.477 43.455 1.00 16.01 H new ATOM 0 HD2 PRO A 92 25.183 20.177 43.375 1.00 13.75 H new ATOM 0 HD3 PRO A 92 24.585 21.064 42.241 1.00 13.75 H new ATOM 1138 N SER A 93 24.926 22.941 46.497 1.00 13.18 N ATOM 1139 CA SER A 93 25.075 23.417 47.903 1.00 14.04 C ATOM 1140 C SER A 93 26.512 23.614 48.378 1.00 14.26 C ATOM 1141 O SER A 93 26.787 23.542 49.562 1.00 12.88 O ATOM 1142 CB SER A 93 24.363 22.392 48.815 1.00 17.25 C ATOM 1143 OG SER A 93 23.051 22.231 48.265 1.00 21.93 O ATOM 0 H SER A 93 25.139 22.119 46.362 1.00 13.18 H new ATOM 0 HA SER A 93 24.680 24.302 47.946 1.00 14.04 H new ATOM 0 HB2 SER A 93 24.841 21.548 48.830 1.00 17.25 H new ATOM 0 HB3 SER A 93 24.321 22.710 49.730 1.00 17.25 H new ATOM 0 HG SER A 93 22.619 21.678 48.727 1.00 21.93 H new ATOM 1149 N TYR A 94 27.402 23.857 47.463 1.00 13.97 N ATOM 1150 CA TYR A 94 28.825 24.068 47.885 1.00 13.53 C ATOM 1151 C TYR A 94 28.869 25.376 48.726 1.00 14.53 C ATOM 1152 O TYR A 94 28.275 26.388 48.353 1.00 14.26 O ATOM 1153 CB TYR A 94 29.736 24.207 46.628 1.00 10.88 C ATOM 1154 CG TYR A 94 31.158 24.685 46.984 1.00 10.53 C ATOM 1155 CD1 TYR A 94 31.664 25.832 46.411 1.00 10.16 C ATOM 1156 CD2 TYR A 94 31.961 23.991 47.879 1.00 10.18 C ATOM 1157 CE1 TYR A 94 32.926 26.257 46.733 1.00 12.47 C ATOM 1158 CE2 TYR A 94 33.230 24.414 48.203 1.00 11.22 C ATOM 1159 CZ TYR A 94 33.719 25.558 47.624 1.00 11.91 C ATOM 1160 OH TYR A 94 34.989 26.003 47.906 1.00 15.13 O ATOM 0 H TYR A 94 27.249 23.910 46.618 1.00 13.97 H new ATOM 0 HA TYR A 94 29.146 23.316 48.407 1.00 13.53 H new ATOM 0 HB2 TYR A 94 29.789 23.352 46.174 1.00 10.88 H new ATOM 0 HB3 TYR A 94 29.333 24.833 46.007 1.00 10.88 H new ATOM 0 HD1 TYR A 94 31.149 26.317 45.807 1.00 10.16 H new ATOM 0 HD2 TYR A 94 31.631 23.216 48.272 1.00 10.18 H new ATOM 0 HE1 TYR A 94 33.257 27.034 46.343 1.00 12.47 H new ATOM 0 HE2 TYR A 94 33.749 23.931 48.806 1.00 11.22 H new ATOM 0 HH TYR A 94 35.301 26.402 47.236 1.00 15.13 H new ATOM 1170 N ASN A 95 29.585 25.285 49.824 1.00 12.83 N ATOM 1171 CA ASN A 95 29.751 26.438 50.764 1.00 13.39 C ATOM 1172 C ASN A 95 31.239 26.696 50.778 1.00 12.86 C ATOM 1173 O ASN A 95 31.936 25.920 51.400 1.00 13.99 O ATOM 1174 CB ASN A 95 29.306 26.056 52.169 1.00 15.24 C ATOM 1175 CG ASN A 95 29.341 27.309 52.990 1.00 17.26 C ATOM 1176 OD1 ASN A 95 30.305 28.026 53.003 1.00 19.32 O ATOM 1177 ND2 ASN A 95 28.326 27.652 53.710 1.00 21.36 N ATOM 0 H ASN A 95 29.996 24.570 50.068 1.00 12.83 H new ATOM 0 HA ASN A 95 29.226 27.206 50.489 1.00 13.39 H new ATOM 0 HB2 ASN A 95 28.413 25.678 52.156 1.00 15.24 H new ATOM 0 HB3 ASN A 95 29.894 25.382 52.545 1.00 15.24 H new ATOM 0 HD21 ASN A 95 28.355 28.373 54.178 1.00 21.36 H new ATOM 0 HD22 ASN A 95 27.621 27.160 53.722 1.00 21.36 H new ATOM 1184 N SER A 96 31.727 27.731 50.150 1.00 14.14 N ATOM 1185 CA SER A 96 33.194 27.941 50.170 1.00 16.96 C ATOM 1186 C SER A 96 33.752 28.345 51.542 1.00 18.69 C ATOM 1187 O SER A 96 34.949 28.348 51.738 1.00 22.66 O ATOM 1188 CB SER A 96 33.515 28.984 49.138 1.00 17.85 C ATOM 1189 OG SER A 96 32.746 30.112 49.520 1.00 19.75 O ATOM 0 H SER A 96 31.269 28.316 49.716 1.00 14.14 H new ATOM 0 HA SER A 96 33.622 27.094 49.970 1.00 16.96 H new ATOM 0 HB2 SER A 96 34.463 29.190 49.127 1.00 17.85 H new ATOM 0 HB3 SER A 96 33.280 28.682 48.246 1.00 17.85 H new ATOM 0 HG SER A 96 32.881 30.740 48.979 1.00 19.75 H new ATOM 1195 N ASN A 97 32.905 28.663 52.466 1.00 17.28 N ATOM 1196 CA ASN A 97 33.428 29.060 53.803 1.00 21.92 C ATOM 1197 C ASN A 97 33.669 27.823 54.653 1.00 19.47 C ATOM 1198 O ASN A 97 34.663 27.836 55.354 1.00 20.50 O ATOM 1199 CB ASN A 97 32.431 29.987 54.574 1.00 23.40 C ATOM 1200 CG ASN A 97 32.337 31.355 53.909 1.00 24.81 C ATOM 1201 OD1 ASN A 97 31.255 31.892 53.799 1.00 29.28 O ATOM 1202 ND2 ASN A 97 33.387 31.972 53.452 1.00 25.53 N ATOM 0 H ASN A 97 32.049 28.667 52.381 1.00 17.28 H new ATOM 0 HA ASN A 97 34.254 29.545 53.649 1.00 21.92 H new ATOM 0 HB2 ASN A 97 31.553 29.574 54.600 1.00 23.40 H new ATOM 0 HB3 ASN A 97 32.723 30.089 55.493 1.00 23.40 H new ATOM 0 HD21 ASN A 97 33.305 32.744 53.082 1.00 25.53 H new ATOM 0 HD22 ASN A 97 34.163 31.608 53.520 1.00 25.53 H new ATOM 1209 N THR A 98 32.815 26.836 54.574 1.00 15.30 N ATOM 1210 CA THR A 98 33.003 25.598 55.401 1.00 14.18 C ATOM 1211 C THR A 98 33.525 24.424 54.617 1.00 15.01 C ATOM 1212 O THR A 98 33.910 23.405 55.181 1.00 17.21 O ATOM 1213 CB THR A 98 31.696 25.238 55.990 1.00 12.37 C ATOM 1214 OG1 THR A 98 30.839 24.981 54.870 1.00 14.90 O ATOM 1215 CG2 THR A 98 31.111 26.482 56.687 1.00 14.37 C ATOM 0 H THR A 98 32.121 26.831 54.066 1.00 15.30 H new ATOM 0 HA THR A 98 33.669 25.797 56.078 1.00 14.18 H new ATOM 0 HB THR A 98 31.775 24.496 56.610 1.00 12.37 H new ATOM 0 HG1 THR A 98 30.074 24.768 55.145 1.00 14.90 H new ATOM 0 HG21 THR A 98 30.252 26.260 57.079 1.00 14.37 H new ATOM 0 HG22 THR A 98 31.717 26.777 57.384 1.00 14.37 H new ATOM 0 HG23 THR A 98 30.995 27.193 56.037 1.00 14.37 H new ATOM 1223 N LEU A 99 33.504 24.613 53.322 1.00 14.14 N ATOM 1224 CA LEU A 99 33.961 23.591 52.327 1.00 16.58 C ATOM 1225 C LEU A 99 33.036 22.350 52.307 1.00 15.21 C ATOM 1226 O LEU A 99 33.405 21.254 51.882 1.00 13.05 O ATOM 1227 CB LEU A 99 35.420 23.094 52.598 1.00 16.73 C ATOM 1228 CG LEU A 99 36.513 24.148 52.273 1.00 19.82 C ATOM 1229 CD1 LEU A 99 37.795 23.368 51.845 1.00 22.54 C ATOM 1230 CD2 LEU A 99 36.148 25.043 51.069 1.00 22.11 C ATOM 0 H LEU A 99 33.224 25.341 52.961 1.00 14.14 H new ATOM 0 HA LEU A 99 33.930 24.045 51.470 1.00 16.58 H new ATOM 0 HB2 LEU A 99 35.497 22.838 53.530 1.00 16.73 H new ATOM 0 HB3 LEU A 99 35.584 22.297 52.070 1.00 16.73 H new ATOM 0 HG LEU A 99 36.624 24.705 53.059 1.00 19.82 H new ATOM 0 HD11 LEU A 99 38.502 23.998 51.634 1.00 22.54 H new ATOM 0 HD12 LEU A 99 38.082 22.793 52.572 1.00 22.54 H new ATOM 0 HD13 LEU A 99 37.600 22.828 51.063 1.00 22.54 H new ATOM 0 HD21 LEU A 99 36.862 25.680 50.911 1.00 22.11 H new ATOM 0 HD22 LEU A 99 36.027 24.491 50.280 1.00 22.11 H new ATOM 0 HD23 LEU A 99 35.325 25.521 51.258 1.00 22.11 H new ATOM 1242 N ASN A 100 31.841 22.590 52.761 1.00 13.38 N ATOM 1243 CA ASN A 100 30.834 21.487 52.791 1.00 13.01 C ATOM 1244 C ASN A 100 30.380 21.352 51.292 1.00 11.70 C ATOM 1245 O ASN A 100 30.203 22.332 50.586 1.00 12.11 O ATOM 1246 CB ASN A 100 29.643 21.892 53.712 1.00 13.70 C ATOM 1247 CG ASN A 100 28.634 20.754 53.982 1.00 15.98 C ATOM 1248 OD1 ASN A 100 28.942 19.568 53.938 1.00 16.51 O ATOM 1249 ND2 ASN A 100 27.408 21.066 54.283 1.00 14.52 N ATOM 0 H ASN A 100 31.567 23.350 53.056 1.00 13.38 H new ATOM 0 HA ASN A 100 31.181 20.652 53.142 1.00 13.01 H new ATOM 0 HB2 ASN A 100 29.995 22.206 54.560 1.00 13.70 H new ATOM 0 HB3 ASN A 100 29.173 22.637 53.307 1.00 13.70 H new ATOM 0 HD21 ASN A 100 26.834 20.446 54.446 1.00 14.52 H new ATOM 0 HD22 ASN A 100 27.171 21.892 54.319 1.00 14.52 H new ATOM 1256 N ASN A 101 30.219 20.133 50.884 1.00 11.41 N ATOM 1257 CA ASN A 101 29.806 19.743 49.517 1.00 10.21 C ATOM 1258 C ASN A 101 30.865 20.214 48.547 1.00 9.59 C ATOM 1259 O ASN A 101 30.621 20.822 47.519 1.00 9.28 O ATOM 1260 CB ASN A 101 28.448 20.366 49.163 1.00 10.64 C ATOM 1261 CG ASN A 101 27.409 19.891 50.134 1.00 11.14 C ATOM 1262 OD1 ASN A 101 27.115 18.727 50.294 1.00 11.82 O ATOM 1263 ND2 ASN A 101 26.808 20.784 50.829 1.00 14.70 N ATOM 0 H ASN A 101 30.347 19.456 51.399 1.00 11.41 H new ATOM 0 HA ASN A 101 29.712 18.779 49.467 1.00 10.21 H new ATOM 0 HB2 ASN A 101 28.509 21.334 49.188 1.00 10.64 H new ATOM 0 HB3 ASN A 101 28.195 20.121 48.259 1.00 10.64 H new ATOM 0 HD21 ASN A 101 26.206 20.553 51.398 1.00 14.70 H new ATOM 0 HD22 ASN A 101 27.006 21.614 50.726 1.00 14.70 H new ATOM 1270 N ASP A 102 32.071 19.897 48.890 1.00 9.90 N ATOM 1271 CA ASP A 102 33.204 20.317 47.997 1.00 10.04 C ATOM 1272 C ASP A 102 33.457 19.281 46.856 1.00 10.53 C ATOM 1273 O ASP A 102 34.386 18.491 46.906 1.00 8.39 O ATOM 1274 CB ASP A 102 34.499 20.505 48.865 1.00 10.27 C ATOM 1275 CG ASP A 102 35.689 21.105 48.076 1.00 10.95 C ATOM 1276 OD1 ASP A 102 35.489 21.661 47.014 1.00 10.95 O ATOM 1277 OD2 ASP A 102 36.764 20.957 48.630 1.00 12.81 O ATOM 0 H ASP A 102 32.292 19.459 49.596 1.00 9.90 H new ATOM 0 HA ASP A 102 32.967 21.156 47.572 1.00 10.04 H new ATOM 0 HB2 ASP A 102 34.295 21.082 49.617 1.00 10.27 H new ATOM 0 HB3 ASP A 102 34.763 19.646 49.230 1.00 10.27 H new ATOM 1282 N ILE A 103 32.588 19.339 45.878 1.00 8.87 N ATOM 1283 CA ILE A 103 32.677 18.446 44.703 1.00 10.32 C ATOM 1284 C ILE A 103 32.200 19.233 43.449 1.00 10.68 C ATOM 1285 O ILE A 103 31.344 20.089 43.549 1.00 8.94 O ATOM 1286 CB ILE A 103 31.818 17.156 44.996 1.00 10.64 C ATOM 1287 CG1 ILE A 103 32.008 16.165 43.792 1.00 12.31 C ATOM 1288 CG2 ILE A 103 30.301 17.432 45.261 1.00 11.84 C ATOM 1289 CD1 ILE A 103 31.434 14.746 44.120 1.00 13.18 C ATOM 0 H ILE A 103 31.926 19.887 45.857 1.00 8.87 H new ATOM 0 HA ILE A 103 33.586 18.155 44.529 1.00 10.32 H new ATOM 0 HB ILE A 103 32.140 16.771 45.826 1.00 10.64 H new ATOM 0 HG12 ILE A 103 31.565 16.521 43.006 1.00 12.31 H new ATOM 0 HG13 ILE A 103 32.951 16.092 43.577 1.00 12.31 H new ATOM 0 HG21 ILE A 103 29.844 16.593 45.432 1.00 11.84 H new ATOM 0 HG22 ILE A 103 30.208 18.013 46.032 1.00 11.84 H new ATOM 0 HG23 ILE A 103 29.909 17.860 44.484 1.00 11.84 H new ATOM 0 HD11 ILE A 103 31.566 14.159 43.359 1.00 13.18 H new ATOM 0 HD12 ILE A 103 31.894 14.381 44.893 1.00 13.18 H new ATOM 0 HD13 ILE A 103 30.486 14.817 44.312 1.00 13.18 H new ATOM 1301 N MET A 104 32.799 18.903 42.328 1.00 10.21 N ATOM 1302 CA MET A 104 32.479 19.546 41.020 1.00 11.84 C ATOM 1303 C MET A 104 32.728 18.504 39.892 1.00 11.42 C ATOM 1304 O MET A 104 33.599 17.656 40.030 1.00 12.12 O ATOM 1305 CB AMET A 104 33.398 20.775 40.872 0.61 13.19 C ATOM 1306 CB BMET A 104 33.376 20.789 40.917 0.49 13.46 C ATOM 1307 CG AMET A 104 33.514 21.337 39.473 0.61 14.49 C ATOM 1308 CG BMET A 104 34.309 20.813 39.759 0.49 15.12 C ATOM 1309 SD AMET A 104 34.660 22.738 39.406 0.61 13.40 S ATOM 1310 SD BMET A 104 35.420 22.231 39.835 0.49 14.60 S ATOM 1311 CE AMET A 104 36.237 21.897 39.697 0.61 17.11 C ATOM 1312 CE BMET A 104 34.657 23.225 38.546 0.49 16.90 C ATOM 0 H MET A 104 33.409 18.299 42.278 1.00 10.21 H new ATOM 0 HA MET A 104 31.555 19.835 40.967 1.00 11.84 H new ATOM 0 HB2AMET A 104 33.072 21.475 41.459 0.61 13.46 H new ATOM 0 HB2BMET A 104 32.809 21.575 40.871 0.49 13.46 H new ATOM 0 HB3AMET A 104 34.285 20.535 41.182 0.61 13.46 H new ATOM 0 HB3BMET A 104 33.896 20.861 41.733 0.49 13.46 H new ATOM 0 HG2AMET A 104 33.817 20.641 38.869 0.61 15.12 H new ATOM 0 HG2BMET A 104 34.828 19.994 39.743 0.49 15.12 H new ATOM 0 HG3AMET A 104 32.639 21.619 39.164 0.61 15.12 H new ATOM 0 HG3BMET A 104 33.801 20.842 38.933 0.49 15.12 H new ATOM 0 HE1AMET A 104 36.696 22.318 40.441 0.61 16.90 H new ATOM 0 HE1BMET A 104 35.293 23.884 38.226 0.49 16.90 H new ATOM 0 HE2AMET A 104 36.073 20.964 39.905 0.61 16.90 H new ATOM 0 HE2BMET A 104 34.389 22.652 37.811 0.49 16.90 H new ATOM 0 HE3AMET A 104 36.788 21.958 38.901 0.61 16.90 H new ATOM 0 HE3BMET A 104 33.877 23.676 38.904 0.49 16.90 H new ATOM 1329 N LEU A 105 31.978 18.657 38.845 1.00 10.52 N ATOM 1330 CA LEU A 105 32.057 17.757 37.658 1.00 10.26 C ATOM 1331 C LEU A 105 32.532 18.644 36.515 1.00 8.93 C ATOM 1332 O LEU A 105 32.100 19.779 36.409 1.00 10.37 O ATOM 1333 CB LEU A 105 30.670 17.192 37.337 1.00 12.18 C ATOM 1334 CG LEU A 105 30.152 16.151 38.417 1.00 14.14 C ATOM 1335 CD1 LEU A 105 28.616 15.898 38.196 1.00 15.55 C ATOM 1336 CD2 LEU A 105 30.894 14.838 38.171 1.00 16.91 C ATOM 0 H LEU A 105 31.392 19.282 38.770 1.00 10.52 H new ATOM 0 HA LEU A 105 32.652 17.006 37.809 1.00 10.26 H new ATOM 0 HB2 LEU A 105 30.037 17.924 37.272 1.00 12.18 H new ATOM 0 HB3 LEU A 105 30.696 16.761 36.468 1.00 12.18 H new ATOM 0 HG LEU A 105 30.303 16.484 39.315 1.00 14.14 H new ATOM 0 HD11 LEU A 105 28.295 15.262 38.854 1.00 15.55 H new ATOM 0 HD12 LEU A 105 28.133 16.734 38.292 1.00 15.55 H new ATOM 0 HD13 LEU A 105 28.471 15.542 37.305 1.00 15.55 H new ATOM 0 HD21 LEU A 105 30.601 14.175 38.816 1.00 16.91 H new ATOM 0 HD22 LEU A 105 30.704 14.522 37.274 1.00 16.91 H new ATOM 0 HD23 LEU A 105 31.848 14.983 38.267 1.00 16.91 H new ATOM 1348 N ILE A 106 33.375 18.085 35.717 1.00 9.24 N ATOM 1349 CA ILE A 106 33.969 18.790 34.544 1.00 9.99 C ATOM 1350 C ILE A 106 33.737 17.896 33.323 1.00 12.20 C ATOM 1351 O ILE A 106 34.138 16.735 33.331 1.00 12.87 O ATOM 1352 CB ILE A 106 35.475 18.964 34.771 1.00 13.42 C ATOM 1353 CG1 ILE A 106 35.695 19.799 36.039 1.00 15.26 C ATOM 1354 CG2 ILE A 106 36.197 19.601 33.536 1.00 12.94 C ATOM 1355 CD1 ILE A 106 37.183 19.742 36.380 1.00 15.24 C ATOM 0 H ILE A 106 33.647 17.274 35.810 1.00 9.24 H new ATOM 0 HA ILE A 106 33.568 19.664 34.417 1.00 9.99 H new ATOM 0 HB ILE A 106 35.871 18.086 34.886 1.00 13.42 H new ATOM 0 HG12 ILE A 106 35.414 20.716 35.896 1.00 15.26 H new ATOM 0 HG13 ILE A 106 35.164 19.451 36.772 1.00 15.26 H new ATOM 0 HG21 ILE A 106 37.144 19.691 33.726 1.00 12.94 H new ATOM 0 HG22 ILE A 106 36.076 19.031 32.761 1.00 12.94 H new ATOM 0 HG23 ILE A 106 35.819 20.476 33.356 1.00 12.94 H new ATOM 0 HD11 ILE A 106 37.352 20.263 37.180 1.00 15.24 H new ATOM 0 HD12 ILE A 106 37.445 18.821 36.533 1.00 15.24 H new ATOM 0 HD13 ILE A 106 37.698 20.106 35.643 1.00 15.24 H new ATOM 1367 N LYS A 107 33.125 18.449 32.320 1.00 11.70 N ATOM 1368 CA LYS A 107 32.865 17.629 31.102 1.00 12.44 C ATOM 1369 C LYS A 107 33.979 17.982 30.113 1.00 11.72 C ATOM 1370 O LYS A 107 34.349 19.146 30.011 1.00 13.42 O ATOM 1371 CB LYS A 107 31.480 17.991 30.467 1.00 13.14 C ATOM 1372 CG LYS A 107 31.085 16.922 29.448 1.00 13.52 C ATOM 1373 CD LYS A 107 29.825 17.367 28.708 1.00 15.28 C ATOM 1374 CE LYS A 107 29.343 16.189 27.859 1.00 15.79 C ATOM 1375 NZ LYS A 107 28.154 16.623 27.086 1.00 17.58 N ATOM 0 H LYS A 107 32.849 19.263 32.290 1.00 11.70 H new ATOM 0 HA LYS A 107 32.849 16.684 31.321 1.00 12.44 H new ATOM 0 HB2 LYS A 107 30.804 18.056 31.159 1.00 13.14 H new ATOM 0 HB3 LYS A 107 31.529 18.859 30.036 1.00 13.14 H new ATOM 0 HG2 LYS A 107 31.808 16.779 28.818 1.00 13.52 H new ATOM 0 HG3 LYS A 107 30.927 16.076 29.896 1.00 13.52 H new ATOM 0 HD2 LYS A 107 29.138 17.636 29.338 1.00 15.28 H new ATOM 0 HD3 LYS A 107 30.013 18.136 28.147 1.00 15.28 H new ATOM 0 HE2 LYS A 107 30.046 15.895 27.259 1.00 15.79 H new ATOM 0 HE3 LYS A 107 29.120 15.434 28.426 1.00 15.79 H new ATOM 0 HZ1 LYS A 107 27.853 15.943 26.597 1.00 17.58 H new ATOM 0 HZ2 LYS A 107 27.516 16.890 27.647 1.00 17.58 H new ATOM 0 HZ3 LYS A 107 28.378 17.297 26.549 1.00 17.58 H new ATOM 1389 N LEU A 108 34.441 16.974 29.425 1.00 12.21 N ATOM 1390 CA LEU A 108 35.521 17.145 28.409 1.00 13.59 C ATOM 1391 C LEU A 108 34.903 17.541 27.050 1.00 11.57 C ATOM 1392 O LEU A 108 33.851 17.079 26.670 1.00 11.70 O ATOM 1393 CB LEU A 108 36.254 15.829 28.224 1.00 13.42 C ATOM 1394 CG LEU A 108 36.850 15.235 29.576 1.00 16.73 C ATOM 1395 CD1 LEU A 108 37.630 13.966 29.237 1.00 15.22 C ATOM 1396 CD2 LEU A 108 37.859 16.205 30.289 1.00 18.41 C ATOM 0 H LEU A 108 34.160 16.166 29.511 1.00 12.21 H new ATOM 0 HA LEU A 108 36.131 17.835 28.714 1.00 13.59 H new ATOM 0 HB2 LEU A 108 35.646 15.181 27.835 1.00 13.42 H new ATOM 0 HB3 LEU A 108 36.977 15.956 27.589 1.00 13.42 H new ATOM 0 HG LEU A 108 36.099 15.081 30.171 1.00 16.73 H new ATOM 0 HD11 LEU A 108 38.002 13.588 30.049 1.00 15.22 H new ATOM 0 HD12 LEU A 108 37.035 13.321 28.824 1.00 15.22 H new ATOM 0 HD13 LEU A 108 38.349 14.182 28.623 1.00 15.22 H new ATOM 0 HD21 LEU A 108 38.187 15.791 31.102 1.00 18.41 H new ATOM 0 HD22 LEU A 108 38.605 16.388 29.697 1.00 18.41 H new ATOM 0 HD23 LEU A 108 37.409 17.036 30.509 1.00 18.41 H new ATOM 1408 N LYS A 109 35.583 18.390 26.345 1.00 15.55 N ATOM 1409 CA LYS A 109 35.078 18.834 25.017 1.00 16.39 C ATOM 1410 C LYS A 109 35.084 17.631 24.096 1.00 14.65 C ATOM 1411 O LYS A 109 34.237 17.533 23.239 1.00 18.68 O ATOM 1412 CB LYS A 109 35.988 19.958 24.401 1.00 19.21 C ATOM 1413 CG LYS A 109 35.575 21.353 24.945 0.05 20.03 C ATOM 1414 CD LYS A 109 36.290 22.496 24.164 0.05 21.64 C ATOM 1415 CE LYS A 109 35.981 22.412 22.644 0.05 22.34 C ATOM 1416 NZ LYS A 109 36.517 23.611 21.938 0.05 23.35 N ATOM 0 H LYS A 109 36.333 18.736 26.585 1.00 15.55 H new ATOM 0 HA LYS A 109 34.185 19.199 25.121 1.00 16.39 H new ATOM 0 HB2 LYS A 109 36.917 19.783 24.617 1.00 19.21 H new ATOM 0 HB3 LYS A 109 35.914 19.947 23.434 1.00 19.21 H new ATOM 0 HG2 LYS A 109 34.614 21.460 24.872 0.05 20.03 H new ATOM 0 HG3 LYS A 109 35.796 21.414 25.887 0.05 20.03 H new ATOM 0 HD2 LYS A 109 36.003 23.356 24.508 0.05 21.64 H new ATOM 0 HD3 LYS A 109 37.248 22.439 24.306 0.05 21.64 H new ATOM 0 HE2 LYS A 109 36.375 21.607 22.272 0.05 22.34 H new ATOM 0 HE3 LYS A 109 35.023 22.349 22.506 0.05 22.34 H new ATOM 0 HZ1 LYS A 109 36.334 23.551 21.069 0.05 23.35 H new ATOM 0 HZ2 LYS A 109 36.139 24.345 22.270 0.05 23.35 H new ATOM 0 HZ3 LYS A 109 37.399 23.654 22.052 0.05 23.35 H new ATOM 1430 N SER A 110 36.017 16.757 24.256 1.00 14.72 N ATOM 1431 CA SER A 110 36.098 15.534 23.410 1.00 17.00 C ATOM 1432 C SER A 110 36.299 14.383 24.369 1.00 18.98 C ATOM 1433 O SER A 110 36.812 14.569 25.452 1.00 21.15 O ATOM 1434 CB ASER A 110 37.299 15.611 22.465 0.25 16.83 C ATOM 1435 CB BSER A 110 37.281 15.513 22.505 0.76 17.89 C ATOM 1436 OG ASER A 110 36.997 16.723 21.620 0.25 17.78 O ATOM 1437 OG BSER A 110 36.837 14.551 21.560 0.76 23.87 O ATOM 0 H SER A 110 36.638 16.821 24.847 1.00 14.72 H new ATOM 0 HA SER A 110 35.299 15.432 22.869 1.00 17.00 H new ATOM 0 HB2ASER A 110 38.127 15.748 22.952 0.25 17.89 H new ATOM 0 HB2BSER A 110 37.457 16.378 22.102 0.76 17.89 H new ATOM 0 HB3ASER A 110 37.403 14.793 21.954 0.25 17.89 H new ATOM 0 HB3BSER A 110 38.093 15.241 22.960 0.76 17.89 H new ATOM 0 HG ASER A 110 37.619 16.832 21.067 0.25 23.87 H new ATOM 0 HG BSER A 110 37.428 14.441 20.973 0.76 23.87 H new ATOM 1446 N ALA A 111 35.916 13.235 23.905 1.00 17.90 N ATOM 1447 CA ALA A 111 36.040 12.043 24.752 1.00 18.42 C ATOM 1448 C ALA A 111 37.484 11.602 24.780 1.00 18.80 C ATOM 1449 O ALA A 111 38.182 11.622 23.786 1.00 19.24 O ATOM 1450 CB ALA A 111 35.122 10.943 24.173 1.00 19.28 C ATOM 0 H ALA A 111 35.585 13.102 23.122 1.00 17.90 H new ATOM 0 HA ALA A 111 35.769 12.230 25.664 1.00 18.42 H new ATOM 0 HB1 ALA A 111 35.189 10.144 24.719 1.00 19.28 H new ATOM 0 HB2 ALA A 111 34.204 11.256 24.170 1.00 19.28 H new ATOM 0 HB3 ALA A 111 35.396 10.737 23.266 1.00 19.28 H new ATOM 1456 N ALA A 112 37.893 11.199 25.938 1.00 18.05 N ATOM 1457 CA ALA A 112 39.294 10.733 26.077 1.00 17.71 C ATOM 1458 C ALA A 112 39.366 9.299 25.517 1.00 20.27 C ATOM 1459 O ALA A 112 38.347 8.648 25.437 1.00 20.71 O ATOM 1460 CB ALA A 112 39.675 10.674 27.536 1.00 16.67 C ATOM 0 H ALA A 112 37.418 11.175 26.654 1.00 18.05 H new ATOM 0 HA ALA A 112 39.889 11.337 25.607 1.00 17.71 H new ATOM 0 HB1 ALA A 112 40.592 10.369 27.619 1.00 16.67 H new ATOM 0 HB2 ALA A 112 39.592 11.557 27.928 1.00 16.67 H new ATOM 0 HB3 ALA A 112 39.086 10.058 28.000 1.00 16.67 H new ATOM 1466 N SER A 113 40.537 8.841 25.163 1.00 21.23 N ATOM 1467 CA SER A 113 40.706 7.459 24.617 1.00 23.83 C ATOM 1468 C SER A 113 41.209 6.691 25.807 1.00 21.74 C ATOM 1469 O SER A 113 42.301 6.945 26.275 1.00 23.00 O ATOM 1470 CB SER A 113 41.739 7.467 23.496 1.00 25.00 C ATOM 1471 OG SER A 113 41.154 8.414 22.595 1.00 31.14 O ATOM 0 H SER A 113 41.267 9.293 25.220 1.00 21.23 H new ATOM 0 HA SER A 113 39.897 7.082 24.238 1.00 23.83 H new ATOM 0 HB2 SER A 113 42.615 7.747 23.805 1.00 25.00 H new ATOM 0 HB3 SER A 113 41.848 6.593 23.090 1.00 25.00 H new ATOM 0 HG SER A 113 41.649 8.504 21.922 1.00 31.14 H new ATOM 1477 N LEU A 114 40.411 5.781 26.261 1.00 21.31 N ATOM 1478 CA LEU A 114 40.830 5.000 27.436 1.00 23.04 C ATOM 1479 C LEU A 114 41.747 3.922 26.948 1.00 26.15 C ATOM 1480 O LEU A 114 41.529 3.324 25.913 1.00 28.42 O ATOM 1481 CB LEU A 114 39.618 4.383 28.094 1.00 22.86 C ATOM 1482 CG LEU A 114 38.562 5.436 28.371 1.00 23.79 C ATOM 1483 CD1 LEU A 114 37.439 4.759 29.162 1.00 24.73 C ATOM 1484 CD2 LEU A 114 39.154 6.611 29.153 1.00 23.91 C ATOM 0 H LEU A 114 39.640 5.584 25.934 1.00 21.31 H new ATOM 0 HA LEU A 114 41.278 5.564 28.086 1.00 23.04 H new ATOM 0 HB2 LEU A 114 39.250 3.692 27.521 1.00 22.86 H new ATOM 0 HB3 LEU A 114 39.878 3.954 28.924 1.00 22.86 H new ATOM 0 HG LEU A 114 38.218 5.799 27.540 1.00 23.79 H new ATOM 0 HD11 LEU A 114 36.744 5.407 29.357 1.00 24.73 H new ATOM 0 HD12 LEU A 114 37.066 4.033 28.638 1.00 24.73 H new ATOM 0 HD13 LEU A 114 37.795 4.408 29.993 1.00 24.73 H new ATOM 0 HD21 LEU A 114 38.463 7.271 29.319 1.00 23.91 H new ATOM 0 HD22 LEU A 114 39.506 6.292 29.999 1.00 23.91 H new ATOM 0 HD23 LEU A 114 39.869 7.015 28.638 1.00 23.91 H new ATOM 1496 N ASN A 115 42.768 3.696 27.700 1.00 25.48 N ATOM 1497 CA ASN A 115 43.758 2.665 27.346 1.00 26.28 C ATOM 1498 C ASN A 115 44.357 2.248 28.678 1.00 29.82 C ATOM 1499 O ASN A 115 43.807 2.521 29.727 1.00 30.70 O ATOM 1500 CB ASN A 115 44.798 3.293 26.355 1.00 25.89 C ATOM 1501 CG ASN A 115 45.509 4.530 26.927 1.00 26.09 C ATOM 1502 OD1 ASN A 115 46.162 4.500 27.957 1.00 27.52 O ATOM 1503 ND2 ASN A 115 45.404 5.645 26.283 1.00 25.91 N ATOM 0 H ASN A 115 42.933 4.117 28.432 1.00 25.48 H new ATOM 0 HA ASN A 115 43.396 1.889 26.890 1.00 26.28 H new ATOM 0 HB2 ASN A 115 45.461 2.624 26.124 1.00 25.89 H new ATOM 0 HB3 ASN A 115 44.345 3.539 25.533 1.00 25.89 H new ATOM 0 HD21 ASN A 115 45.791 6.352 26.582 1.00 25.91 H new ATOM 0 HD22 ASN A 115 44.947 5.680 25.556 1.00 25.91 H new ATOM 1510 N SER A 116 45.464 1.599 28.658 1.00 33.47 N ATOM 1511 CA SER A 116 46.102 1.157 29.919 1.00 35.50 C ATOM 1512 C SER A 116 46.491 2.305 30.871 1.00 35.50 C ATOM 1513 O SER A 116 46.370 2.210 32.082 1.00 34.17 O ATOM 1514 CB SER A 116 47.346 0.332 29.495 1.00 38.49 C ATOM 1515 OG SER A 116 46.925 -0.371 28.311 1.00 42.62 O ATOM 0 H SER A 116 45.891 1.387 27.942 1.00 33.47 H new ATOM 0 HA SER A 116 45.467 0.636 30.435 1.00 35.50 H new ATOM 0 HB2 SER A 116 48.106 0.907 29.313 1.00 38.49 H new ATOM 0 HB3 SER A 116 47.617 -0.284 30.194 1.00 38.49 H new ATOM 0 HG SER A 116 47.310 -0.045 27.639 1.00 42.62 H new ATOM 1521 N ARG A 117 46.940 3.352 30.237 1.00 32.75 N ATOM 1522 CA ARG A 117 47.404 4.582 30.947 1.00 31.32 C ATOM 1523 C ARG A 117 46.324 5.574 31.301 1.00 28.63 C ATOM 1524 O ARG A 117 46.594 6.458 32.098 1.00 25.63 O ATOM 1525 CB ARG A 117 48.477 5.248 30.028 1.00 32.32 C ATOM 1526 CG ARG A 117 49.561 4.139 29.786 1.00 34.42 C ATOM 1527 CD ARG A 117 50.819 4.535 28.994 0.07 34.38 C ATOM 1528 NE ARG A 117 51.718 3.353 29.133 0.07 33.40 N ATOM 1529 CZ ARG A 117 52.958 3.420 29.544 0.07 31.99 C ATOM 1530 NH1 ARG A 117 53.462 4.518 30.049 0.07 32.54 N ATOM 1531 NH2 ARG A 117 53.652 2.329 29.434 0.07 31.41 N ATOM 0 H ARG A 117 46.997 3.400 29.380 1.00 32.75 H new ATOM 0 HA ARG A 117 47.757 4.311 31.809 1.00 31.32 H new ATOM 0 HB2 ARG A 117 48.086 5.544 29.191 1.00 32.32 H new ATOM 0 HB3 ARG A 117 48.865 6.030 30.452 1.00 32.32 H new ATOM 0 HG2 ARG A 117 49.845 3.805 30.651 1.00 34.42 H new ATOM 0 HG3 ARG A 117 49.136 3.401 29.322 1.00 34.42 H new ATOM 0 HD2 ARG A 117 50.611 4.716 28.064 0.07 34.38 H new ATOM 0 HD3 ARG A 117 51.228 5.337 29.355 0.07 34.38 H new ATOM 0 HE ARG A 117 51.401 2.579 28.930 0.07 33.40 H new ATOM 0 HH11 ARG A 117 52.974 5.223 30.118 0.07 32.54 H new ATOM 0 HH12 ARG A 117 54.281 4.534 30.312 0.07 32.54 H new ATOM 0 HH21 ARG A 117 53.291 1.621 29.107 0.07 31.41 H new ATOM 0 HH22 ARG A 117 54.473 2.314 29.688 0.07 31.41 H new ATOM 1545 N VAL A 118 45.182 5.400 30.695 1.00 24.57 N ATOM 1546 CA VAL A 118 44.032 6.304 30.939 1.00 21.85 C ATOM 1547 C VAL A 118 42.841 5.409 31.132 1.00 20.04 C ATOM 1548 O VAL A 118 42.341 4.823 30.184 1.00 17.41 O ATOM 1549 CB VAL A 118 43.849 7.239 29.712 1.00 22.55 C ATOM 1550 CG1 VAL A 118 42.730 8.284 29.973 1.00 22.70 C ATOM 1551 CG2 VAL A 118 45.188 7.969 29.409 1.00 23.46 C ATOM 0 H VAL A 118 45.027 4.769 30.132 1.00 24.57 H new ATOM 0 HA VAL A 118 44.159 6.871 31.715 1.00 21.85 H new ATOM 0 HB VAL A 118 43.591 6.699 28.949 1.00 22.55 H new ATOM 0 HG11 VAL A 118 42.633 8.856 29.195 1.00 22.70 H new ATOM 0 HG12 VAL A 118 41.892 7.826 30.143 1.00 22.70 H new ATOM 0 HG13 VAL A 118 42.965 8.824 30.744 1.00 22.70 H new ATOM 0 HG21 VAL A 118 45.073 8.552 28.643 1.00 23.46 H new ATOM 0 HG22 VAL A 118 45.451 8.496 30.180 1.00 23.46 H new ATOM 0 HG23 VAL A 118 45.877 7.314 29.215 1.00 23.46 H new ATOM 1561 N ALA A 119 42.427 5.326 32.354 1.00 17.97 N ATOM 1562 CA ALA A 119 41.266 4.472 32.659 1.00 18.09 C ATOM 1563 C ALA A 119 40.322 5.246 33.576 1.00 18.21 C ATOM 1564 O ALA A 119 40.794 6.197 34.171 1.00 19.22 O ATOM 1565 CB ALA A 119 41.806 3.205 33.329 1.00 19.68 C ATOM 0 H ALA A 119 42.776 5.734 33.026 1.00 17.97 H new ATOM 0 HA ALA A 119 40.767 4.224 31.865 1.00 18.09 H new ATOM 0 HB1 ALA A 119 41.068 2.614 33.546 1.00 19.68 H new ATOM 0 HB2 ALA A 119 42.414 2.753 32.724 1.00 19.68 H new ATOM 0 HB3 ALA A 119 42.278 3.445 34.142 1.00 19.68 H new ATOM 1571 N SER A 120 39.075 4.857 33.691 1.00 16.55 N ATOM 1572 CA SER A 120 38.186 5.626 34.602 1.00 17.10 C ATOM 1573 C SER A 120 38.149 4.848 35.929 1.00 17.26 C ATOM 1574 O SER A 120 38.610 3.714 35.984 1.00 17.06 O ATOM 1575 CB SER A 120 36.779 5.729 33.990 1.00 16.81 C ATOM 1576 OG SER A 120 36.425 4.413 33.602 1.00 19.57 O ATOM 0 H SER A 120 38.716 4.190 33.284 1.00 16.55 H new ATOM 0 HA SER A 120 38.509 6.530 34.742 1.00 17.10 H new ATOM 0 HB2 SER A 120 36.146 6.084 34.633 1.00 16.81 H new ATOM 0 HB3 SER A 120 36.775 6.329 33.228 1.00 16.81 H new ATOM 0 HG SER A 120 35.657 4.418 33.261 1.00 19.57 H new ATOM 1582 N ILE A 121 37.617 5.473 36.946 1.00 15.34 N ATOM 1583 CA ILE A 121 37.538 4.784 38.269 1.00 15.93 C ATOM 1584 C ILE A 121 36.032 4.626 38.546 1.00 14.30 C ATOM 1585 O ILE A 121 35.240 5.453 38.131 1.00 14.94 O ATOM 1586 CB ILE A 121 38.268 5.676 39.393 1.00 14.99 C ATOM 1587 CG1 ILE A 121 38.272 5.005 40.804 1.00 16.02 C ATOM 1588 CG2 ILE A 121 37.630 7.066 39.517 1.00 14.48 C ATOM 1589 CD1 ILE A 121 39.115 3.701 40.771 1.00 16.36 C ATOM 0 H ILE A 121 37.297 6.271 36.924 1.00 15.34 H new ATOM 0 HA ILE A 121 37.984 3.922 38.276 1.00 15.93 H new ATOM 0 HB ILE A 121 39.186 5.758 39.090 1.00 14.99 H new ATOM 0 HG12 ILE A 121 38.637 5.618 41.461 1.00 16.02 H new ATOM 0 HG13 ILE A 121 37.363 4.804 41.077 1.00 16.02 H new ATOM 0 HG21 ILE A 121 38.093 7.575 40.201 1.00 14.48 H new ATOM 0 HG22 ILE A 121 37.697 7.530 38.668 1.00 14.48 H new ATOM 0 HG23 ILE A 121 36.696 6.973 39.761 1.00 14.48 H new ATOM 0 HD11 ILE A 121 39.112 3.291 41.650 1.00 16.36 H new ATOM 0 HD12 ILE A 121 38.733 3.085 40.126 1.00 16.36 H new ATOM 0 HD13 ILE A 121 40.027 3.911 40.516 1.00 16.36 H new ATOM 1601 N SER A 122 35.684 3.590 39.252 1.00 14.61 N ATOM 1602 CA SER A 122 34.252 3.301 39.597 1.00 16.19 C ATOM 1603 C SER A 122 33.772 4.103 40.810 1.00 14.92 C ATOM 1604 O SER A 122 34.546 4.351 41.724 1.00 14.26 O ATOM 1605 CB SER A 122 34.080 1.786 39.935 1.00 16.53 C ATOM 1606 OG SER A 122 34.792 1.105 38.906 0.31 14.44 O ATOM 0 H SER A 122 36.243 3.014 39.561 1.00 14.61 H new ATOM 0 HA SER A 122 33.725 3.553 38.823 1.00 16.19 H new ATOM 0 HB2 SER A 122 34.440 1.577 40.811 1.00 16.53 H new ATOM 0 HB3 SER A 122 33.144 1.531 39.945 1.00 16.53 H new ATOM 0 HG SER A 122 34.740 0.276 39.031 0.31 14.44 H new ATOM 1612 N LEU A 123 32.518 4.444 40.754 1.00 13.70 N ATOM 1613 CA LEU A 123 31.911 5.209 41.845 1.00 14.89 C ATOM 1614 C LEU A 123 31.487 4.095 42.810 1.00 15.32 C ATOM 1615 O LEU A 123 31.262 2.977 42.396 1.00 15.25 O ATOM 1616 CB LEU A 123 30.661 5.961 41.373 1.00 14.92 C ATOM 1617 CG LEU A 123 30.974 7.078 40.383 1.00 15.77 C ATOM 1618 CD1 LEU A 123 29.660 7.764 40.036 1.00 18.25 C ATOM 1619 CD2 LEU A 123 31.853 8.116 41.047 1.00 16.32 C ATOM 0 H LEU A 123 31.988 4.252 40.105 1.00 13.70 H new ATOM 0 HA LEU A 123 32.507 5.877 42.218 1.00 14.89 H new ATOM 0 HB2 LEU A 123 30.048 5.332 40.960 1.00 14.92 H new ATOM 0 HB3 LEU A 123 30.206 6.336 42.143 1.00 14.92 H new ATOM 0 HG LEU A 123 31.417 6.711 39.602 1.00 15.77 H new ATOM 0 HD11 LEU A 123 29.826 8.482 39.406 1.00 18.25 H new ATOM 0 HD12 LEU A 123 29.053 7.120 39.639 1.00 18.25 H new ATOM 0 HD13 LEU A 123 29.262 8.128 40.842 1.00 18.25 H new ATOM 0 HD21 LEU A 123 32.050 8.825 40.415 1.00 16.32 H new ATOM 0 HD22 LEU A 123 31.392 8.487 41.815 1.00 16.32 H new ATOM 0 HD23 LEU A 123 32.681 7.702 41.337 1.00 16.32 H new ATOM 1631 N PRO A 124 31.397 4.418 44.072 1.00 16.21 N ATOM 1632 CA PRO A 124 30.985 3.446 45.107 1.00 17.19 C ATOM 1633 C PRO A 124 29.495 3.109 45.108 1.00 16.78 C ATOM 1634 O PRO A 124 28.680 3.903 44.697 1.00 17.22 O ATOM 1635 CB PRO A 124 31.405 4.086 46.414 1.00 18.30 C ATOM 1636 CG PRO A 124 31.224 5.601 46.123 1.00 16.50 C ATOM 1637 CD PRO A 124 31.701 5.757 44.664 1.00 17.28 C ATOM 0 HA PRO A 124 31.404 2.587 44.944 1.00 17.19 H new ATOM 0 HB2 PRO A 124 30.851 3.792 47.154 1.00 18.30 H new ATOM 0 HB3 PRO A 124 32.322 3.870 46.643 1.00 18.30 H new ATOM 0 HG2 PRO A 124 30.299 5.875 46.226 1.00 16.50 H new ATOM 0 HG3 PRO A 124 31.750 6.145 46.729 1.00 16.50 H new ATOM 0 HD2 PRO A 124 31.229 6.469 44.205 1.00 17.28 H new ATOM 0 HD3 PRO A 124 32.647 5.966 44.615 1.00 17.28 H new ATOM 1645 N THR A 125 29.239 1.937 45.593 1.00 19.09 N ATOM 1646 CA THR A 125 27.865 1.367 45.736 1.00 22.06 C ATOM 1647 C THR A 125 27.500 1.654 47.220 1.00 21.96 C ATOM 1648 O THR A 125 26.335 1.799 47.515 1.00 26.78 O ATOM 1649 CB THR A 125 27.866 -0.159 45.478 1.00 22.56 C ATOM 1650 OG1 THR A 125 29.113 -0.668 45.969 1.00 27.74 O ATOM 1651 CG2 THR A 125 27.846 -0.406 43.992 1.00 21.83 C ATOM 0 H THR A 125 29.856 1.405 45.868 1.00 19.09 H new ATOM 0 HA THR A 125 27.238 1.751 45.103 1.00 22.06 H new ATOM 0 HB THR A 125 27.101 -0.576 45.904 1.00 22.56 H new ATOM 0 HG1 THR A 125 29.190 -0.482 46.784 1.00 27.74 H new ATOM 0 HG21 THR A 125 27.847 -1.361 43.822 1.00 21.83 H new ATOM 0 HG22 THR A 125 27.048 -0.010 43.609 1.00 21.83 H new ATOM 0 HG23 THR A 125 28.631 -0.006 43.587 1.00 21.83 H new ATOM 1659 N SER A 127 28.451 1.704 48.119 1.00 21.09 N ATOM 1660 CA SER A 127 28.173 1.995 49.556 1.00 18.36 C ATOM 1661 C SER A 127 29.380 2.798 50.055 1.00 18.02 C ATOM 1662 O SER A 127 30.365 2.947 49.351 1.00 17.89 O ATOM 1663 CB SER A 127 28.059 0.692 50.348 1.00 19.02 C ATOM 1664 OG SER A 127 29.149 -0.113 49.885 1.00 20.43 O ATOM 0 H SER A 127 29.282 1.574 47.941 1.00 21.09 H new ATOM 0 HA SER A 127 27.340 2.480 49.667 1.00 18.36 H new ATOM 0 HB2 SER A 127 28.121 0.853 51.302 1.00 19.02 H new ATOM 0 HB3 SER A 127 27.207 0.256 50.189 1.00 19.02 H new ATOM 0 HG SER A 127 29.143 -0.851 50.287 1.00 20.43 H new ATOM 1670 N CYS A 128 29.294 3.277 51.255 1.00 16.84 N ATOM 1671 CA CYS A 128 30.414 4.070 51.836 1.00 17.72 C ATOM 1672 C CYS A 128 31.443 3.125 52.456 1.00 19.54 C ATOM 1673 O CYS A 128 31.080 2.021 52.815 1.00 21.40 O ATOM 1674 CB CYS A 128 29.848 4.972 52.894 1.00 17.04 C ATOM 1675 SG CYS A 128 28.652 6.184 52.304 1.00 17.62 S ATOM 0 H CYS A 128 28.616 3.174 51.773 1.00 16.84 H new ATOM 0 HA CYS A 128 30.850 4.596 51.147 1.00 17.72 H new ATOM 0 HB2 CYS A 128 29.425 4.425 53.574 1.00 17.04 H new ATOM 0 HB3 CYS A 128 30.579 5.442 53.324 1.00 17.04 H new ATOM 1680 N ALA A 129 32.661 3.577 52.582 1.00 16.95 N ATOM 1681 CA ALA A 129 33.706 2.704 53.164 1.00 17.90 C ATOM 1682 C ALA A 129 33.763 2.915 54.660 1.00 18.92 C ATOM 1683 O ALA A 129 33.428 3.989 55.112 1.00 21.71 O ATOM 1684 CB ALA A 129 35.069 3.041 52.573 1.00 16.20 C ATOM 0 H ALA A 129 32.923 4.363 52.350 1.00 16.95 H new ATOM 0 HA ALA A 129 33.486 1.781 52.962 1.00 17.90 H new ATOM 0 HB1 ALA A 129 35.743 2.462 52.963 1.00 16.20 H new ATOM 0 HB2 ALA A 129 35.047 2.909 51.612 1.00 16.20 H new ATOM 0 HB3 ALA A 129 35.286 3.966 52.767 1.00 16.20 H new ATOM 1690 N SER A 130 34.205 1.891 55.335 1.00 21.05 N ATOM 1691 CA SER A 130 34.340 1.863 56.816 1.00 21.69 C ATOM 1692 C SER A 130 35.668 2.357 57.314 1.00 20.34 C ATOM 1693 O SER A 130 36.662 2.265 56.627 1.00 18.14 O ATOM 1694 CB SER A 130 34.211 0.407 57.396 1.00 24.80 C ATOM 1695 OG SER A 130 33.740 -0.470 56.372 1.00 29.95 O ATOM 0 H SER A 130 34.449 1.157 54.958 1.00 21.05 H new ATOM 0 HA SER A 130 33.623 2.445 57.113 1.00 21.69 H new ATOM 0 HB2 SER A 130 35.070 0.102 57.727 1.00 24.80 H new ATOM 0 HB3 SER A 130 33.599 0.401 58.148 1.00 24.80 H new ATOM 0 HG SER A 130 33.672 -1.249 56.679 1.00 29.95 H new ATOM 1701 N ALA A 132 35.653 2.851 58.525 1.00 20.99 N ATOM 1702 CA ALA A 132 36.897 3.364 59.147 1.00 19.30 C ATOM 1703 C ALA A 132 37.802 2.139 59.161 1.00 17.88 C ATOM 1704 O ALA A 132 37.343 1.025 59.342 1.00 14.91 O ATOM 1705 CB ALA A 132 36.645 3.832 60.595 1.00 20.18 C ATOM 0 H ALA A 132 34.951 2.908 59.019 1.00 20.99 H new ATOM 0 HA ALA A 132 37.264 4.126 58.672 1.00 19.30 H new ATOM 0 HB1 ALA A 132 37.473 4.162 60.977 1.00 20.18 H new ATOM 0 HB2 ALA A 132 35.984 4.542 60.595 1.00 20.18 H new ATOM 0 HB3 ALA A 132 36.319 3.087 61.124 1.00 20.18 H new ATOM 1711 N GLY A 133 39.055 2.361 58.973 1.00 17.27 N ATOM 1712 CA GLY A 133 39.981 1.215 58.974 1.00 17.55 C ATOM 1713 C GLY A 133 40.347 0.854 57.554 1.00 16.92 C ATOM 1714 O GLY A 133 41.424 0.334 57.349 1.00 21.31 O ATOM 0 H GLY A 133 39.412 3.132 58.844 1.00 17.27 H new ATOM 0 HA2 GLY A 133 40.781 1.435 59.477 1.00 17.55 H new ATOM 0 HA3 GLY A 133 39.569 0.455 59.414 1.00 17.55 H new ATOM 1718 N THR A 134 39.485 1.115 56.611 1.00 16.31 N ATOM 1719 CA THR A 134 39.824 0.761 55.202 1.00 17.15 C ATOM 1720 C THR A 134 41.065 1.560 54.714 1.00 16.67 C ATOM 1721 O THR A 134 41.180 2.733 55.000 1.00 14.01 O ATOM 1722 CB THR A 134 38.572 1.072 54.344 1.00 17.45 C ATOM 1723 OG1 THR A 134 37.510 0.317 54.946 1.00 19.67 O ATOM 1724 CG2 THR A 134 38.666 0.485 52.927 1.00 17.54 C ATOM 0 H THR A 134 38.717 1.483 56.728 1.00 16.31 H new ATOM 0 HA THR A 134 40.058 -0.177 55.126 1.00 17.15 H new ATOM 0 HB THR A 134 38.460 2.034 54.300 1.00 17.45 H new ATOM 0 HG1 THR A 134 37.121 0.790 55.521 1.00 19.67 H new ATOM 0 HG21 THR A 134 37.862 0.706 52.431 1.00 17.54 H new ATOM 0 HG22 THR A 134 39.438 0.857 52.473 1.00 17.54 H new ATOM 0 HG23 THR A 134 38.757 -0.479 52.981 1.00 17.54 H new ATOM 1732 N GLN A 135 41.926 0.880 53.995 1.00 18.37 N ATOM 1733 CA GLN A 135 43.169 1.495 53.452 1.00 19.37 C ATOM 1734 C GLN A 135 42.791 2.012 52.064 1.00 17.27 C ATOM 1735 O GLN A 135 42.130 1.309 51.304 1.00 16.95 O ATOM 1736 CB GLN A 135 44.336 0.460 53.259 1.00 20.39 C ATOM 1737 CG GLN A 135 44.976 0.000 54.579 0.69 24.71 C ATOM 1738 CD GLN A 135 45.855 1.127 55.151 0.69 27.76 C ATOM 1739 OE1 GLN A 135 46.510 1.854 54.432 0.69 29.41 O ATOM 1740 NE2 GLN A 135 45.921 1.320 56.430 0.69 28.25 N ATOM 0 H GLN A 135 41.829 0.049 53.795 1.00 18.37 H new ATOM 0 HA GLN A 135 43.483 2.174 54.069 1.00 19.37 H new ATOM 0 HB2 GLN A 135 43.995 -0.315 52.786 1.00 20.39 H new ATOM 0 HB3 GLN A 135 45.020 0.857 52.698 1.00 20.39 H new ATOM 0 HG2 GLN A 135 44.286 -0.239 55.217 0.69 24.71 H new ATOM 0 HG3 GLN A 135 45.511 -0.795 54.429 0.69 24.71 H new ATOM 0 HE21 GLN A 135 45.468 0.821 56.964 0.69 28.25 H new ATOM 0 HE22 GLN A 135 46.418 1.947 56.745 0.69 28.25 H new ATOM 1749 N CYS A 136 43.248 3.211 51.815 1.00 15.38 N ATOM 1750 CA CYS A 136 43.000 3.918 50.534 1.00 14.09 C ATOM 1751 C CYS A 136 44.324 4.380 49.940 1.00 15.82 C ATOM 1752 O CYS A 136 45.364 4.377 50.579 1.00 16.39 O ATOM 1753 CB CYS A 136 42.098 5.143 50.816 1.00 15.01 C ATOM 1754 SG CYS A 136 40.530 4.791 51.639 1.00 18.85 S ATOM 0 H CYS A 136 43.719 3.663 52.375 1.00 15.38 H new ATOM 0 HA CYS A 136 42.564 3.323 49.904 1.00 14.09 H new ATOM 0 HB2 CYS A 136 42.596 5.772 51.361 1.00 15.01 H new ATOM 0 HB3 CYS A 136 41.910 5.586 49.974 1.00 15.01 H new ATOM 1759 N LEU A 137 44.220 4.780 48.715 1.00 14.18 N ATOM 1760 CA LEU A 137 45.376 5.278 47.954 1.00 15.64 C ATOM 1761 C LEU A 137 44.986 6.714 47.561 1.00 15.76 C ATOM 1762 O LEU A 137 43.941 6.911 46.934 1.00 13.48 O ATOM 1763 CB LEU A 137 45.591 4.467 46.678 1.00 15.71 C ATOM 1764 CG LEU A 137 46.819 5.013 45.865 1.00 17.66 C ATOM 1765 CD1 LEU A 137 48.142 4.776 46.666 1.00 19.73 C ATOM 1766 CD2 LEU A 137 46.875 4.280 44.521 1.00 20.06 C ATOM 0 H LEU A 137 43.481 4.781 48.274 1.00 14.18 H new ATOM 0 HA LEU A 137 46.192 5.220 48.475 1.00 15.64 H new ATOM 0 HB2 LEU A 137 45.737 3.535 46.904 1.00 15.71 H new ATOM 0 HB3 LEU A 137 44.793 4.504 46.129 1.00 15.71 H new ATOM 0 HG LEU A 137 46.721 5.967 45.717 1.00 17.66 H new ATOM 0 HD11 LEU A 137 48.894 5.116 46.157 1.00 19.73 H new ATOM 0 HD12 LEU A 137 48.093 5.239 47.517 1.00 19.73 H new ATOM 0 HD13 LEU A 137 48.261 3.826 46.822 1.00 19.73 H new ATOM 0 HD21 LEU A 137 47.629 4.606 44.006 1.00 20.06 H new ATOM 0 HD22 LEU A 137 46.977 3.328 44.675 1.00 20.06 H new ATOM 0 HD23 LEU A 137 46.054 4.441 44.030 1.00 20.06 H new ATOM 1778 N ILE A 138 45.854 7.614 47.944 1.00 14.81 N ATOM 1779 CA ILE A 138 45.701 9.081 47.683 1.00 14.97 C ATOM 1780 C ILE A 138 46.858 9.446 46.760 1.00 14.20 C ATOM 1781 O ILE A 138 47.959 8.987 47.017 1.00 15.21 O ATOM 1782 CB ILE A 138 45.803 9.814 49.045 1.00 15.99 C ATOM 1783 CG1 ILE A 138 44.741 9.173 49.977 1.00 17.04 C ATOM 1784 CG2 ILE A 138 45.562 11.313 48.858 1.00 15.42 C ATOM 1785 CD1 ILE A 138 44.843 9.699 51.425 1.00 21.55 C ATOM 0 H ILE A 138 46.573 7.416 48.373 1.00 14.81 H new ATOM 0 HA ILE A 138 44.855 9.325 47.275 1.00 14.97 H new ATOM 0 HB ILE A 138 46.687 9.723 49.435 1.00 15.99 H new ATOM 0 HG12 ILE A 138 43.854 9.357 49.629 1.00 17.04 H new ATOM 0 HG13 ILE A 138 44.851 8.209 49.976 1.00 17.04 H new ATOM 0 HG21 ILE A 138 45.628 11.761 49.716 1.00 15.42 H new ATOM 0 HG22 ILE A 138 46.228 11.675 48.252 1.00 15.42 H new ATOM 0 HG23 ILE A 138 44.677 11.455 48.487 1.00 15.42 H new ATOM 0 HD11 ILE A 138 44.164 9.274 51.972 1.00 21.55 H new ATOM 0 HD12 ILE A 138 45.721 9.494 51.783 1.00 21.55 H new ATOM 0 HD13 ILE A 138 44.708 10.660 51.431 1.00 21.55 H new ATOM 1797 N SER A 139 46.621 10.231 45.735 1.00 16.24 N ATOM 1798 CA SER A 139 47.740 10.598 44.825 1.00 14.13 C ATOM 1799 C SER A 139 47.652 12.048 44.354 1.00 15.92 C ATOM 1800 O SER A 139 46.590 12.660 44.390 1.00 13.82 O ATOM 1801 CB SER A 139 47.709 9.601 43.645 1.00 14.38 C ATOM 1802 OG SER A 139 46.361 9.581 43.152 1.00 14.37 O ATOM 0 H SER A 139 45.854 10.564 45.533 1.00 16.24 H new ATOM 0 HA SER A 139 48.586 10.539 45.295 1.00 14.13 H new ATOM 0 HB2 SER A 139 48.326 9.874 42.948 1.00 14.38 H new ATOM 0 HB3 SER A 139 47.982 8.717 43.935 1.00 14.38 H new ATOM 0 HG SER A 139 45.963 8.904 43.451 1.00 14.37 H new ATOM 1808 N GLY A 140 48.773 12.565 43.916 1.00 14.81 N ATOM 1809 CA GLY A 140 48.792 13.966 43.432 1.00 16.03 C ATOM 1810 C GLY A 140 50.193 14.505 43.252 1.00 16.70 C ATOM 1811 O GLY A 140 51.160 13.850 43.606 1.00 18.29 O ATOM 0 H GLY A 140 49.527 12.152 43.882 1.00 14.81 H new ATOM 0 HA2 GLY A 140 48.319 14.018 42.587 1.00 16.03 H new ATOM 0 HA3 GLY A 140 48.312 14.528 44.061 1.00 16.03 H new ATOM 1815 N TRP A 141 50.252 15.695 42.708 1.00 17.59 N ATOM 1816 CA TRP A 141 51.522 16.435 42.422 1.00 16.72 C ATOM 1817 C TRP A 141 51.650 17.606 43.398 1.00 17.37 C ATOM 1818 O TRP A 141 52.271 18.610 43.109 1.00 19.13 O ATOM 1819 CB TRP A 141 51.443 16.982 41.003 1.00 15.87 C ATOM 1820 CG TRP A 141 51.549 15.927 39.884 1.00 15.88 C ATOM 1821 CD1 TRP A 141 52.739 15.441 39.421 1.00 15.52 C ATOM 1822 CD2 TRP A 141 50.528 15.348 39.183 1.00 15.41 C ATOM 1823 NE1 TRP A 141 52.380 14.597 38.464 1.00 17.74 N ATOM 1824 CE2 TRP A 141 51.079 14.457 38.235 1.00 18.39 C ATOM 1825 CE3 TRP A 141 49.155 15.495 39.264 1.00 12.79 C ATOM 1826 CZ2 TRP A 141 50.251 13.729 37.380 1.00 18.42 C ATOM 1827 CZ3 TRP A 141 48.317 14.765 38.413 1.00 15.57 C ATOM 1828 CH2 TRP A 141 48.861 13.882 37.466 1.00 17.45 C ATOM 0 H TRP A 141 49.548 16.132 42.477 1.00 17.59 H new ATOM 0 HA TRP A 141 52.286 15.845 42.518 1.00 16.72 H new ATOM 0 HB2 TRP A 141 50.603 17.457 40.901 1.00 15.87 H new ATOM 0 HB3 TRP A 141 52.153 17.632 40.883 1.00 15.87 H new ATOM 0 HD1 TRP A 141 53.598 15.652 39.709 1.00 15.52 H new ATOM 0 HE1 TRP A 141 52.965 14.159 38.011 1.00 17.74 H new ATOM 0 HE3 TRP A 141 48.787 16.081 39.886 1.00 12.79 H new ATOM 0 HZ2 TRP A 141 50.620 13.146 36.757 1.00 18.42 H new ATOM 0 HZ3 TRP A 141 47.395 14.865 38.475 1.00 15.57 H new ATOM 0 HH2 TRP A 141 48.302 13.402 36.899 1.00 17.45 H new ATOM 1839 N GLY A 142 51.102 17.482 44.554 1.00 18.85 N ATOM 1840 CA GLY A 142 51.198 18.636 45.512 1.00 22.18 C ATOM 1841 C GLY A 142 52.481 18.699 46.351 1.00 22.05 C ATOM 1842 O GLY A 142 53.313 17.807 46.269 1.00 21.76 O ATOM 0 H GLY A 142 50.678 16.790 44.837 1.00 18.85 H new ATOM 0 HA2 GLY A 142 51.120 19.461 45.008 1.00 22.18 H new ATOM 0 HA3 GLY A 142 50.439 18.599 46.114 1.00 22.18 H new ATOM 1846 N ASN A 143 52.560 19.756 47.117 1.00 21.44 N ATOM 1847 CA ASN A 143 53.728 19.993 47.996 1.00 24.00 C ATOM 1848 C ASN A 143 54.109 18.708 48.735 1.00 25.81 C ATOM 1849 O ASN A 143 53.200 17.957 49.101 1.00 23.99 O ATOM 1850 CB ASN A 143 53.339 21.112 48.964 1.00 24.75 C ATOM 1851 CG ASN A 143 54.579 21.630 49.735 1.00 25.60 C ATOM 1852 OD1 ASN A 143 55.715 21.240 49.498 1.00 26.45 O ATOM 1853 ND2 ASN A 143 54.404 22.523 50.674 1.00 26.42 N ATOM 0 H ASN A 143 51.955 20.365 47.158 1.00 21.44 H new ATOM 0 HA ASN A 143 54.508 20.256 47.483 1.00 24.00 H new ATOM 0 HB2 ASN A 143 52.930 21.842 48.473 1.00 24.75 H new ATOM 0 HB3 ASN A 143 52.676 20.786 49.592 1.00 24.75 H new ATOM 0 HD21 ASN A 143 55.080 22.825 51.112 1.00 26.42 H new ATOM 0 HD22 ASN A 143 53.613 22.808 50.854 1.00 26.42 H new ATOM 1860 N THR A 144 55.391 18.482 48.932 1.00 25.97 N ATOM 1861 CA THR A 144 55.856 17.255 49.647 1.00 28.01 C ATOM 1862 C THR A 144 56.566 17.570 50.960 1.00 29.95 C ATOM 1863 O THR A 144 57.173 16.688 51.550 1.00 30.55 O ATOM 1864 CB THR A 144 56.825 16.442 48.736 1.00 27.16 C ATOM 1865 OG1 THR A 144 57.899 17.327 48.401 1.00 28.42 O ATOM 1866 CG2 THR A 144 56.153 16.057 47.394 1.00 25.25 C ATOM 0 H THR A 144 56.021 19.007 48.672 1.00 25.97 H new ATOM 0 HA THR A 144 55.062 16.737 49.854 1.00 28.01 H new ATOM 0 HB THR A 144 57.100 15.637 49.202 1.00 27.16 H new ATOM 0 HG1 THR A 144 58.449 16.926 47.909 1.00 28.42 H new ATOM 0 HG21 THR A 144 56.779 15.553 46.851 1.00 25.25 H new ATOM 0 HG22 THR A 144 55.368 15.514 47.569 1.00 25.25 H new ATOM 0 HG23 THR A 144 55.890 16.862 46.921 1.00 25.25 H new ATOM 1874 N LYS A 145 56.485 18.791 51.396 1.00 32.02 N ATOM 1875 CA LYS A 145 57.164 19.160 52.680 1.00 34.52 C ATOM 1876 C LYS A 145 56.102 19.704 53.600 1.00 36.92 C ATOM 1877 O LYS A 145 55.210 20.385 53.128 1.00 40.19 O ATOM 1878 CB LYS A 145 58.216 20.250 52.412 1.00 34.63 C ATOM 1879 CG LYS A 145 59.317 19.708 51.428 1.00 34.84 C ATOM 1880 CD LYS A 145 60.316 18.797 52.198 0.07 33.72 C ATOM 1881 CE LYS A 145 61.209 18.014 51.206 0.07 32.45 C ATOM 1882 NZ LYS A 145 60.394 16.981 50.504 0.07 31.61 N ATOM 0 H LYS A 145 56.064 19.430 51.003 1.00 32.02 H new ATOM 0 HA LYS A 145 57.607 18.391 53.072 1.00 34.52 H new ATOM 0 HB2 LYS A 145 57.790 21.034 52.032 1.00 34.63 H new ATOM 0 HB3 LYS A 145 58.626 20.526 53.247 1.00 34.63 H new ATOM 0 HG2 LYS A 145 58.901 19.208 50.708 1.00 34.84 H new ATOM 0 HG3 LYS A 145 59.791 20.450 51.021 1.00 34.84 H new ATOM 0 HD2 LYS A 145 60.870 19.337 52.783 0.07 33.72 H new ATOM 0 HD3 LYS A 145 59.828 18.177 52.762 0.07 33.72 H new ATOM 0 HE2 LYS A 145 61.601 18.623 50.561 0.07 32.45 H new ATOM 0 HE3 LYS A 145 61.942 17.592 51.681 0.07 32.45 H new ATOM 0 HZ1 LYS A 145 60.933 16.365 50.154 0.07 31.61 H new ATOM 0 HZ2 LYS A 145 59.840 16.595 51.084 0.07 31.61 H new ATOM 0 HZ3 LYS A 145 59.922 17.366 49.855 0.07 31.61 H new ATOM 1896 N SER A 146 56.202 19.416 54.865 0.46 36.43 N ATOM 1897 CA SER A 146 55.173 19.946 55.804 0.46 36.97 C ATOM 1898 C SER A 146 55.660 21.369 56.081 0.58 35.57 C ATOM 1899 O SER A 146 54.943 22.342 55.940 0.58 38.31 O ATOM 1900 CB SER A 146 55.162 19.104 57.097 0.46 37.01 C ATOM 1901 OG SER A 146 56.209 18.148 56.918 0.46 38.50 O ATOM 0 H SER A 146 56.821 18.937 55.220 0.46 36.43 H new ATOM 0 HA SER A 146 54.269 19.920 55.453 0.46 36.97 H new ATOM 0 HB2 SER A 146 55.320 19.657 57.878 0.46 37.01 H new ATOM 0 HB3 SER A 146 54.305 18.668 57.226 0.46 37.01 H new ATOM 0 HG SER A 146 56.945 18.497 57.123 0.46 38.50 H new ATOM 1907 N SER A 147 56.898 21.430 56.457 0.23 36.24 N ATOM 1908 CA SER A 147 57.524 22.735 56.764 1.00 36.62 C ATOM 1909 C SER A 147 58.501 23.047 55.633 1.00 36.08 C ATOM 1910 O SER A 147 59.688 22.815 55.735 0.23 34.12 O ATOM 1911 CB SER A 147 58.247 22.622 58.104 0.23 36.28 C ATOM 1912 OG SER A 147 57.272 22.005 58.946 0.23 36.27 O ATOM 0 H SER A 147 57.414 20.749 56.549 0.23 36.24 H new ATOM 0 HA SER A 147 56.869 23.448 56.831 1.00 36.62 H new ATOM 0 HB2 SER A 147 59.052 22.085 58.033 0.23 36.28 H new ATOM 0 HB3 SER A 147 58.515 23.491 58.442 0.23 36.28 H new ATOM 0 HG SER A 147 57.591 21.902 59.716 0.23 36.27 H new ATOM 1918 N GLY A 148 57.972 23.556 54.565 0.56 34.83 N ATOM 1919 CA GLY A 148 58.814 23.907 53.397 0.56 34.41 C ATOM 1920 C GLY A 148 57.940 23.787 52.166 0.56 33.32 C ATOM 1921 O GLY A 148 56.789 23.404 52.269 0.56 34.20 O ATOM 0 H GLY A 148 57.133 23.717 54.467 0.56 34.83 H new ATOM 0 HA2 GLY A 148 59.162 24.808 53.484 0.56 34.41 H new ATOM 0 HA3 GLY A 148 59.578 23.313 53.334 0.56 34.41 H new ATOM 1925 N THR A 149 58.486 24.129 51.041 0.46 31.63 N ATOM 1926 CA THR A 149 57.733 24.050 49.773 0.46 31.30 C ATOM 1927 C THR A 149 58.585 23.271 48.776 0.46 29.50 C ATOM 1928 O THR A 149 59.652 23.743 48.431 0.46 27.08 O ATOM 1929 CB THR A 149 57.488 25.485 49.278 0.46 31.77 C ATOM 1930 OG1 THR A 149 56.820 26.171 50.342 0.46 33.64 O ATOM 1931 CG2 THR A 149 56.466 25.528 48.144 0.46 32.76 C ATOM 0 H THR A 149 59.294 24.414 50.962 0.46 31.63 H new ATOM 0 HA THR A 149 56.879 23.603 49.883 0.46 31.30 H new ATOM 0 HB THR A 149 58.339 25.856 48.997 0.46 31.77 H new ATOM 0 HG1 THR A 149 56.668 26.964 50.112 0.46 33.64 H new ATOM 0 HG21 THR A 149 56.338 26.446 47.859 0.46 32.76 H new ATOM 0 HG22 THR A 149 56.789 25.000 47.397 0.46 32.76 H new ATOM 0 HG23 THR A 149 55.622 25.165 48.455 0.46 32.76 H new ATOM 1939 N SER A 150 58.141 22.127 48.355 1.00 29.80 N ATOM 1940 CA SER A 150 58.914 21.332 47.375 1.00 30.89 C ATOM 1941 C SER A 150 57.813 20.785 46.480 1.00 30.01 C ATOM 1942 O SER A 150 57.002 20.022 46.973 1.00 30.06 O ATOM 1943 CB SER A 150 59.645 20.182 48.064 1.00 33.50 C ATOM 1944 OG SER A 150 60.618 19.734 47.120 1.00 33.97 O ATOM 0 H SER A 150 57.400 21.770 48.607 1.00 29.80 H new ATOM 0 HA SER A 150 59.595 21.843 46.909 1.00 30.89 H new ATOM 0 HB2 SER A 150 60.066 20.478 48.887 1.00 33.50 H new ATOM 0 HB3 SER A 150 59.032 19.469 48.300 1.00 33.50 H new ATOM 0 HG SER A 150 61.055 19.097 47.449 1.00 33.97 H new ATOM 1950 N TYR A 151 57.792 21.169 45.234 1.00 27.56 N ATOM 1951 CA TYR A 151 56.718 20.634 44.350 1.00 25.59 C ATOM 1952 C TYR A 151 57.327 19.629 43.413 1.00 23.28 C ATOM 1953 O TYR A 151 58.234 19.960 42.684 1.00 23.74 O ATOM 1954 CB TYR A 151 56.084 21.757 43.531 1.00 27.62 C ATOM 1955 CG TYR A 151 55.023 22.428 44.417 1.00 28.79 C ATOM 1956 CD1 TYR A 151 53.718 21.982 44.367 1.00 31.35 C ATOM 1957 CD2 TYR A 151 55.333 23.462 45.277 1.00 31.78 C ATOM 1958 CE1 TYR A 151 52.736 22.553 45.158 1.00 34.11 C ATOM 1959 CE2 TYR A 151 54.344 24.032 46.068 1.00 34.58 C ATOM 1960 CZ TYR A 151 53.047 23.582 46.017 1.00 35.20 C ATOM 1961 OH TYR A 151 52.099 24.161 46.831 1.00 39.81 O ATOM 0 H TYR A 151 58.349 21.712 44.866 1.00 27.56 H new ATOM 0 HA TYR A 151 56.031 20.223 44.897 1.00 25.59 H new ATOM 0 HB2 TYR A 151 56.756 22.400 43.256 1.00 27.62 H new ATOM 0 HB3 TYR A 151 55.681 21.404 42.722 1.00 27.62 H new ATOM 0 HD1 TYR A 151 53.495 21.286 43.792 1.00 31.35 H new ATOM 0 HD2 TYR A 151 56.206 23.778 45.327 1.00 31.78 H new ATOM 0 HE1 TYR A 151 51.862 22.240 45.109 1.00 34.11 H new ATOM 0 HE2 TYR A 151 54.563 24.730 46.642 1.00 34.58 H new ATOM 0 HH TYR A 151 52.456 24.768 47.289 1.00 39.81 H new ATOM 1971 N PRO A 152 56.830 18.431 43.424 1.00 22.46 N ATOM 1972 CA PRO A 152 57.386 17.308 42.642 1.00 24.36 C ATOM 1973 C PRO A 152 56.880 17.380 41.208 1.00 25.58 C ATOM 1974 O PRO A 152 55.839 17.966 40.956 1.00 25.42 O ATOM 1975 CB PRO A 152 56.871 16.074 43.347 1.00 23.70 C ATOM 1976 CG PRO A 152 55.430 16.532 43.761 1.00 22.98 C ATOM 1977 CD PRO A 152 55.640 17.999 44.214 1.00 22.63 C ATOM 0 HA PRO A 152 58.355 17.316 42.592 1.00 24.36 H new ATOM 0 HB2 PRO A 152 56.855 15.300 42.763 1.00 23.70 H new ATOM 0 HB3 PRO A 152 57.414 15.839 44.115 1.00 23.70 H new ATOM 0 HG2 PRO A 152 54.808 16.472 43.019 1.00 22.98 H new ATOM 0 HG3 PRO A 152 55.072 15.984 44.477 1.00 22.98 H new ATOM 0 HD2 PRO A 152 54.864 18.548 44.022 1.00 22.63 H new ATOM 0 HD3 PRO A 152 55.802 18.060 45.168 1.00 22.63 H new ATOM 1985 N ASP A 153 57.590 16.773 40.313 1.00 27.12 N ATOM 1986 CA ASP A 153 57.070 16.851 38.924 1.00 29.39 C ATOM 1987 C ASP A 153 56.404 15.526 38.564 1.00 26.95 C ATOM 1988 O ASP A 153 55.629 15.499 37.623 1.00 25.36 O ATOM 1989 CB ASP A 153 58.256 17.216 37.967 1.00 33.39 C ATOM 1990 CG ASP A 153 58.767 18.659 38.332 1.00 36.81 C ATOM 1991 OD1 ASP A 153 57.936 19.559 38.371 1.00 39.35 O ATOM 1992 OD2 ASP A 153 59.961 18.805 38.557 1.00 41.07 O ATOM 0 H ASP A 153 58.320 16.336 40.438 1.00 27.12 H new ATOM 0 HA ASP A 153 56.396 17.543 38.835 1.00 29.39 H new ATOM 0 HB2 ASP A 153 58.974 16.571 38.059 1.00 33.39 H new ATOM 0 HB3 ASP A 153 57.965 17.186 37.042 1.00 33.39 H new ATOM 1997 N VAL A 154 56.699 14.486 39.310 1.00 24.37 N ATOM 1998 CA VAL A 154 56.081 13.145 39.024 1.00 21.98 C ATOM 1999 C VAL A 154 55.031 12.900 40.129 1.00 22.40 C ATOM 2000 O VAL A 154 55.107 13.468 41.212 1.00 23.07 O ATOM 2001 CB VAL A 154 57.149 12.036 39.044 1.00 21.16 C ATOM 2002 CG1 VAL A 154 58.053 12.214 37.779 1.00 21.89 C ATOM 2003 CG2 VAL A 154 57.971 12.114 40.341 1.00 20.94 C ATOM 0 H VAL A 154 57.239 14.502 39.979 1.00 24.37 H new ATOM 0 HA VAL A 154 55.674 13.133 38.143 1.00 21.98 H new ATOM 0 HB VAL A 154 56.734 11.159 39.022 1.00 21.16 H new ATOM 0 HG11 VAL A 154 58.736 11.525 37.769 1.00 21.89 H new ATOM 0 HG12 VAL A 154 57.509 12.141 36.979 1.00 21.89 H new ATOM 0 HG13 VAL A 154 58.476 13.087 37.803 1.00 21.89 H new ATOM 0 HG21 VAL A 154 58.640 11.412 40.343 1.00 20.94 H new ATOM 0 HG22 VAL A 154 58.409 12.978 40.395 1.00 20.94 H new ATOM 0 HG23 VAL A 154 57.383 12.002 41.104 1.00 20.94 H new ATOM 2013 N LEU A 155 54.109 12.042 39.803 1.00 19.00 N ATOM 2014 CA LEU A 155 52.996 11.689 40.708 1.00 17.94 C ATOM 2015 C LEU A 155 53.453 10.973 41.978 1.00 16.88 C ATOM 2016 O LEU A 155 54.265 10.056 41.883 1.00 19.06 O ATOM 2017 CB LEU A 155 52.020 10.840 39.819 1.00 16.68 C ATOM 2018 CG LEU A 155 50.637 10.618 40.478 1.00 19.29 C ATOM 2019 CD1 LEU A 155 49.922 11.969 40.710 1.00 19.62 C ATOM 2020 CD2 LEU A 155 49.746 9.690 39.605 1.00 20.89 C ATOM 0 H LEU A 155 54.089 11.631 39.048 1.00 19.00 H new ATOM 0 HA LEU A 155 52.556 12.477 41.064 1.00 17.94 H new ATOM 0 HB2 LEU A 155 51.898 11.285 38.966 1.00 16.68 H new ATOM 0 HB3 LEU A 155 52.426 9.979 39.634 1.00 16.68 H new ATOM 0 HG LEU A 155 50.783 10.188 41.335 1.00 19.29 H new ATOM 0 HD11 LEU A 155 49.058 11.812 41.123 1.00 19.62 H new ATOM 0 HD12 LEU A 155 50.462 12.525 41.293 1.00 19.62 H new ATOM 0 HD13 LEU A 155 49.796 12.419 39.860 1.00 19.62 H new ATOM 0 HD21 LEU A 155 48.887 9.566 40.037 1.00 20.89 H new ATOM 0 HD22 LEU A 155 49.614 10.095 38.733 1.00 20.89 H new ATOM 0 HD23 LEU A 155 50.181 8.830 39.499 1.00 20.89 H new ATOM 2032 N LYS A 156 52.911 11.416 43.085 1.00 14.89 N ATOM 2033 CA LYS A 156 53.245 10.821 44.397 1.00 16.56 C ATOM 2034 C LYS A 156 51.954 10.131 44.869 1.00 18.46 C ATOM 2035 O LYS A 156 50.856 10.577 44.557 1.00 17.04 O ATOM 2036 CB LYS A 156 53.628 11.899 45.443 1.00 18.97 C ATOM 2037 CG LYS A 156 54.917 12.665 45.032 1.00 21.09 C ATOM 2038 CD LYS A 156 56.163 11.670 45.095 1.00 22.39 C ATOM 2039 CE LYS A 156 57.516 12.447 44.759 1.00 22.72 C ATOM 2040 NZ LYS A 156 58.687 11.607 45.167 0.57 21.73 N ATOM 0 H LYS A 156 52.344 12.061 43.119 1.00 14.89 H new ATOM 0 HA LYS A 156 54.002 10.221 44.310 1.00 16.56 H new ATOM 0 HB2 LYS A 156 52.896 12.527 45.544 1.00 18.97 H new ATOM 0 HB3 LYS A 156 53.762 11.479 46.307 1.00 18.97 H new ATOM 0 HG2 LYS A 156 54.821 13.024 44.136 1.00 21.09 H new ATOM 0 HG3 LYS A 156 55.061 13.419 45.625 1.00 21.09 H new ATOM 0 HD2 LYS A 156 56.222 11.273 45.978 1.00 22.39 H new ATOM 0 HD3 LYS A 156 56.036 10.943 44.465 1.00 22.39 H new ATOM 0 HE2 LYS A 156 57.561 12.643 43.810 1.00 22.72 H new ATOM 0 HE3 LYS A 156 57.537 13.297 45.226 1.00 22.72 H new ATOM 0 HZ1 LYS A 156 59.441 12.051 45.007 0.57 21.73 H new ATOM 0 HZ2 LYS A 156 58.631 11.421 46.036 0.57 21.73 H new ATOM 0 HZ3 LYS A 156 58.685 10.849 44.701 0.57 21.73 H new ATOM 2054 N CYS A 157 52.182 9.086 45.616 1.00 18.33 N ATOM 2055 CA CYS A 157 51.137 8.228 46.196 1.00 19.63 C ATOM 2056 C CYS A 157 51.333 8.098 47.677 1.00 20.21 C ATOM 2057 O CYS A 157 52.446 8.234 48.169 1.00 21.25 O ATOM 2058 CB CYS A 157 51.227 6.850 45.568 1.00 19.39 C ATOM 2059 SG CYS A 157 50.504 6.645 43.936 1.00 21.68 S ATOM 0 H CYS A 157 52.977 8.830 45.819 1.00 18.33 H new ATOM 0 HA CYS A 157 50.269 8.625 46.023 1.00 19.63 H new ATOM 0 HB2 CYS A 157 52.164 6.604 45.515 1.00 19.39 H new ATOM 0 HB3 CYS A 157 50.801 6.218 46.168 1.00 19.39 H new ATOM 2064 N LEU A 158 50.224 7.833 48.321 1.00 20.45 N ATOM 2065 CA LEU A 158 50.171 7.651 49.788 1.00 18.81 C ATOM 2066 C LEU A 158 49.070 6.635 50.163 1.00 20.96 C ATOM 2067 O LEU A 158 47.942 6.808 49.742 1.00 19.93 O ATOM 2068 CB LEU A 158 49.888 9.013 50.410 1.00 18.29 C ATOM 2069 CG LEU A 158 49.650 8.917 51.944 1.00 20.04 C ATOM 2070 CD1 LEU A 158 50.938 8.500 52.691 1.00 22.44 C ATOM 2071 CD2 LEU A 158 49.230 10.286 52.492 1.00 21.76 C ATOM 0 H LEU A 158 49.461 7.749 47.933 1.00 20.45 H new ATOM 0 HA LEU A 158 51.012 7.301 50.120 1.00 18.81 H new ATOM 0 HB2 LEU A 158 50.634 9.608 50.236 1.00 18.29 H new ATOM 0 HB3 LEU A 158 49.108 9.405 49.987 1.00 18.29 H new ATOM 0 HG LEU A 158 48.958 8.252 52.086 1.00 20.04 H new ATOM 0 HD11 LEU A 158 50.758 8.449 53.643 1.00 22.44 H new ATOM 0 HD12 LEU A 158 51.232 7.633 52.371 1.00 22.44 H new ATOM 0 HD13 LEU A 158 51.633 9.156 52.529 1.00 22.44 H new ATOM 0 HD21 LEU A 158 49.083 10.221 53.449 1.00 21.76 H new ATOM 0 HD22 LEU A 158 49.930 10.934 52.317 1.00 21.76 H new ATOM 0 HD23 LEU A 158 48.411 10.571 52.058 1.00 21.76 H new ATOM 2083 N LYS A 159 49.398 5.619 50.929 1.00 21.01 N ATOM 2084 CA LYS A 159 48.375 4.612 51.347 1.00 22.65 C ATOM 2085 C LYS A 159 48.030 5.159 52.746 1.00 20.58 C ATOM 2086 O LYS A 159 48.926 5.399 53.539 1.00 21.46 O ATOM 2087 CB LYS A 159 48.957 3.196 51.500 1.00 24.83 C ATOM 2088 CG LYS A 159 49.142 2.540 50.098 1.00 25.52 C ATOM 2089 CD LYS A 159 49.701 1.102 50.274 0.25 26.64 C ATOM 2090 CE LYS A 159 49.668 0.354 48.921 0.25 28.00 C ATOM 2091 NZ LYS A 159 50.482 1.085 47.920 0.25 28.83 N ATOM 0 H LYS A 159 50.191 5.473 51.228 1.00 21.01 H new ATOM 0 HA LYS A 159 47.646 4.518 50.714 1.00 22.65 H new ATOM 0 HB2 LYS A 159 49.809 3.237 51.961 1.00 24.83 H new ATOM 0 HB3 LYS A 159 48.366 2.652 52.044 1.00 24.83 H new ATOM 0 HG2 LYS A 159 48.294 2.513 49.627 1.00 25.52 H new ATOM 0 HG3 LYS A 159 49.749 3.071 49.559 1.00 25.52 H new ATOM 0 HD2 LYS A 159 50.610 1.139 50.610 0.25 26.64 H new ATOM 0 HD3 LYS A 159 49.175 0.620 50.932 0.25 26.64 H new ATOM 0 HE2 LYS A 159 50.010 -0.547 49.032 0.25 28.00 H new ATOM 0 HE3 LYS A 159 48.753 0.274 48.609 0.25 28.00 H new ATOM 0 HZ1 LYS A 159 50.616 0.566 47.210 0.25 28.83 H new ATOM 0 HZ2 LYS A 159 50.053 1.824 47.670 0.25 28.83 H new ATOM 0 HZ3 LYS A 159 51.266 1.305 48.278 0.25 28.83 H new ATOM 2105 N ALA A 160 46.778 5.354 53.003 1.00 16.53 N ATOM 2106 CA ALA A 160 46.338 5.885 54.309 1.00 18.81 C ATOM 2107 C ALA A 160 44.972 5.308 54.632 1.00 16.94 C ATOM 2108 O ALA A 160 44.166 5.135 53.741 1.00 14.21 O ATOM 2109 CB ALA A 160 46.209 7.394 54.250 1.00 18.88 C ATOM 0 H ALA A 160 46.140 5.193 52.449 1.00 16.53 H new ATOM 0 HA ALA A 160 46.991 5.642 54.984 1.00 18.81 H new ATOM 0 HB1 ALA A 160 45.920 7.728 55.113 1.00 18.88 H new ATOM 0 HB2 ALA A 160 47.068 7.784 54.024 1.00 18.88 H new ATOM 0 HB3 ALA A 160 45.557 7.637 53.575 1.00 18.88 H new ATOM 2115 N PRO A 161 44.717 5.032 55.886 1.00 16.89 N ATOM 2116 CA PRO A 161 43.414 4.526 56.291 1.00 18.32 C ATOM 2117 C PRO A 161 42.430 5.625 56.641 1.00 14.38 C ATOM 2118 O PRO A 161 42.809 6.737 56.945 1.00 13.50 O ATOM 2119 CB PRO A 161 43.732 3.626 57.473 1.00 18.35 C ATOM 2120 CG PRO A 161 44.795 4.489 58.191 1.00 18.56 C ATOM 2121 CD PRO A 161 45.642 5.123 57.036 1.00 17.39 C ATOM 0 HA PRO A 161 42.966 4.054 55.572 1.00 18.32 H new ATOM 0 HB2 PRO A 161 42.955 3.456 58.029 1.00 18.35 H new ATOM 0 HB3 PRO A 161 44.079 2.763 57.199 1.00 18.35 H new ATOM 0 HG2 PRO A 161 44.381 5.173 58.740 1.00 18.56 H new ATOM 0 HG3 PRO A 161 45.348 3.950 58.778 1.00 18.56 H new ATOM 0 HD2 PRO A 161 45.890 6.040 57.230 1.00 17.39 H new ATOM 0 HD3 PRO A 161 46.465 4.634 56.879 1.00 17.39 H new ATOM 2129 N ILE A 162 41.191 5.209 56.580 1.00 16.09 N ATOM 2130 CA ILE A 162 40.071 6.107 56.899 1.00 14.44 C ATOM 2131 C ILE A 162 40.059 6.071 58.433 1.00 13.09 C ATOM 2132 O ILE A 162 40.175 5.019 59.047 1.00 15.90 O ATOM 2133 CB ILE A 162 38.761 5.533 56.299 1.00 14.30 C ATOM 2134 CG1 ILE A 162 38.839 5.572 54.735 1.00 14.78 C ATOM 2135 CG2 ILE A 162 37.547 6.356 56.803 1.00 14.70 C ATOM 2136 CD1 ILE A 162 37.475 5.166 54.118 1.00 16.01 C ATOM 0 H ILE A 162 40.959 4.411 56.357 1.00 16.09 H new ATOM 0 HA ILE A 162 40.152 7.006 56.544 1.00 14.44 H new ATOM 0 HB ILE A 162 38.650 4.612 56.584 1.00 14.30 H new ATOM 0 HG12 ILE A 162 39.083 6.463 54.439 1.00 14.78 H new ATOM 0 HG13 ILE A 162 39.534 4.970 54.424 1.00 14.78 H new ATOM 0 HG21 ILE A 162 36.731 5.993 56.425 1.00 14.70 H new ATOM 0 HG22 ILE A 162 37.503 6.309 57.771 1.00 14.70 H new ATOM 0 HG23 ILE A 162 37.647 7.281 56.529 1.00 14.70 H new ATOM 0 HD11 ILE A 162 37.536 5.194 53.150 1.00 16.01 H new ATOM 0 HD12 ILE A 162 37.246 4.267 54.401 1.00 16.01 H new ATOM 0 HD13 ILE A 162 36.788 5.783 54.416 1.00 16.01 H new ATOM 2148 N LEU A 163 39.905 7.230 58.984 1.00 14.23 N ATOM 2149 CA LEU A 163 39.875 7.371 60.440 1.00 15.70 C ATOM 2150 C LEU A 163 38.430 7.370 60.910 1.00 15.91 C ATOM 2151 O LEU A 163 37.506 7.637 60.169 1.00 15.92 O ATOM 2152 CB LEU A 163 40.556 8.684 60.812 1.00 18.32 C ATOM 2153 CG LEU A 163 42.048 8.708 60.400 1.00 20.84 C ATOM 2154 CD1 LEU A 163 42.659 10.041 60.823 1.00 22.58 C ATOM 2155 CD2 LEU A 163 42.851 7.621 61.128 1.00 23.09 C ATOM 0 H LEU A 163 39.814 7.966 58.549 1.00 14.23 H new ATOM 0 HA LEU A 163 40.341 6.635 60.866 1.00 15.70 H new ATOM 0 HB2 LEU A 163 40.092 9.420 60.383 1.00 18.32 H new ATOM 0 HB3 LEU A 163 40.484 8.823 61.769 1.00 18.32 H new ATOM 0 HG LEU A 163 42.086 8.567 59.441 1.00 20.84 H new ATOM 0 HD11 LEU A 163 43.595 10.064 60.568 1.00 22.58 H new ATOM 0 HD12 LEU A 163 42.187 10.767 60.385 1.00 22.58 H new ATOM 0 HD13 LEU A 163 42.584 10.141 61.785 1.00 22.58 H new ATOM 0 HD21 LEU A 163 43.779 7.662 60.849 1.00 23.09 H new ATOM 0 HD22 LEU A 163 42.795 7.764 62.086 1.00 23.09 H new ATOM 0 HD23 LEU A 163 42.487 6.749 60.910 1.00 23.09 H new ATOM 2167 N SER A 164 38.258 7.077 62.157 1.00 18.95 N ATOM 2168 CA SER A 164 36.907 7.037 62.722 1.00 20.64 C ATOM 2169 C SER A 164 36.461 8.469 62.774 1.00 18.80 C ATOM 2170 O SER A 164 37.254 9.381 62.902 1.00 15.81 O ATOM 2171 CB SER A 164 36.947 6.416 64.166 1.00 22.74 C ATOM 2172 OG SER A 164 37.853 7.219 64.944 1.00 25.00 O ATOM 0 H SER A 164 38.891 6.895 62.710 1.00 18.95 H new ATOM 0 HA SER A 164 36.302 6.492 62.195 1.00 20.64 H new ATOM 0 HB2 SER A 164 36.062 6.414 64.563 1.00 22.74 H new ATOM 0 HB3 SER A 164 37.246 5.494 64.135 1.00 22.74 H new ATOM 0 HG SER A 164 37.433 7.586 65.572 1.00 25.00 H new ATOM 2178 N ASP A 165 35.187 8.644 62.675 1.00 18.59 N ATOM 2179 CA ASP A 165 34.665 10.020 62.728 1.00 20.83 C ATOM 2180 C ASP A 165 34.960 10.675 64.054 1.00 19.92 C ATOM 2181 O ASP A 165 35.127 11.877 64.066 1.00 19.45 O ATOM 2182 CB AASP A 165 33.146 9.961 62.445 0.43 22.34 C ATOM 2183 CB BASP A 165 33.148 10.013 62.461 0.36 21.02 C ATOM 2184 CG AASP A 165 33.004 9.683 60.925 0.43 25.07 C ATOM 2185 CG BASP A 165 32.790 9.619 61.001 0.36 22.29 C ATOM 2186 OD1AASP A 165 33.248 10.633 60.196 0.43 24.98 O ATOM 2187 OD1BASP A 165 33.638 9.639 60.118 0.36 20.32 O ATOM 2188 OD2AASP A 165 32.680 8.560 60.570 0.43 24.96 O ATOM 2189 OD2BASP A 165 31.627 9.309 60.846 0.36 19.58 O ATOM 0 H ASP A 165 34.601 8.022 62.579 1.00 18.59 H new ATOM 0 HA ASP A 165 35.104 10.567 62.058 1.00 20.83 H new ATOM 0 HB2AASP A 165 32.723 9.261 62.967 0.43 21.02 H new ATOM 0 HB2BASP A 165 32.720 9.393 63.072 0.36 21.02 H new ATOM 0 HB3AASP A 165 32.715 10.796 62.687 0.43 21.02 H new ATOM 0 HB3BASP A 165 32.787 10.893 62.651 0.36 21.02 H new ATOM 2196 N SER A 166 35.026 9.909 65.109 1.00 18.56 N ATOM 2197 CA SER A 166 35.313 10.507 66.439 1.00 19.14 C ATOM 2198 C SER A 166 36.681 11.200 66.432 1.00 19.50 C ATOM 2199 O SER A 166 36.812 12.278 66.967 1.00 19.94 O ATOM 2200 CB SER A 166 35.237 9.350 67.538 1.00 19.95 C ATOM 2201 OG SER A 166 36.008 8.250 67.022 0.34 20.41 O ATOM 0 H SER A 166 34.914 9.056 65.106 1.00 18.56 H new ATOM 0 HA SER A 166 34.656 11.188 66.652 1.00 19.14 H new ATOM 0 HB2 SER A 166 35.595 9.655 68.387 1.00 19.95 H new ATOM 0 HB3 SER A 166 34.318 9.084 67.697 1.00 19.95 H new ATOM 0 HG SER A 166 35.996 7.616 67.573 0.34 20.41 H new ATOM 2207 N SER A 167 37.674 10.590 65.830 1.00 20.93 N ATOM 2208 CA SER A 167 39.015 11.230 65.812 1.00 20.90 C ATOM 2209 C SER A 167 39.063 12.363 64.799 1.00 17.27 C ATOM 2210 O SER A 167 39.882 13.253 64.924 1.00 18.25 O ATOM 2211 CB SER A 167 40.066 10.138 65.492 1.00 25.06 C ATOM 2212 OG SER A 167 39.536 9.482 64.345 1.00 33.77 O ATOM 0 H SER A 167 37.620 9.830 65.432 1.00 20.93 H new ATOM 0 HA SER A 167 39.208 11.623 66.678 1.00 20.90 H new ATOM 0 HB2 SER A 167 40.937 10.525 65.310 1.00 25.06 H new ATOM 0 HB3 SER A 167 40.178 9.523 66.234 1.00 25.06 H new ATOM 0 HG SER A 167 39.127 8.788 64.583 1.00 33.77 H new ATOM 2218 N CYS A 168 38.205 12.302 63.817 1.00 16.30 N ATOM 2219 CA CYS A 168 38.168 13.371 62.781 1.00 15.61 C ATOM 2220 C CYS A 168 37.520 14.593 63.439 1.00 12.94 C ATOM 2221 O CYS A 168 37.998 15.707 63.394 1.00 13.90 O ATOM 2222 CB CYS A 168 37.353 12.812 61.600 1.00 16.25 C ATOM 2223 SG CYS A 168 37.216 13.873 60.150 1.00 16.78 S ATOM 0 H CYS A 168 37.631 11.670 63.708 1.00 16.30 H new ATOM 0 HA CYS A 168 39.038 13.637 62.445 1.00 15.61 H new ATOM 0 HB2 CYS A 168 37.752 11.972 61.326 1.00 16.25 H new ATOM 0 HB3 CYS A 168 36.458 12.611 61.916 1.00 16.25 H new ATOM 2228 N LYS A 169 36.415 14.369 64.078 1.00 14.17 N ATOM 2229 CA LYS A 169 35.698 15.478 64.759 1.00 15.94 C ATOM 2230 C LYS A 169 36.482 16.061 65.951 1.00 16.39 C ATOM 2231 O LYS A 169 36.355 17.252 66.187 1.00 15.74 O ATOM 2232 CB LYS A 169 34.331 14.935 65.199 1.00 15.39 C ATOM 2233 CG LYS A 169 33.437 14.754 63.916 1.00 14.94 C ATOM 2234 CD LYS A 169 32.163 13.973 64.231 1.00 14.47 C ATOM 2235 CE LYS A 169 31.209 13.942 63.045 1.00 14.37 C ATOM 2236 NZ LYS A 169 30.059 13.087 63.406 1.00 17.00 N ATOM 0 H LYS A 169 36.040 13.598 64.147 1.00 14.17 H new ATOM 0 HA LYS A 169 35.594 16.219 64.141 1.00 15.94 H new ATOM 0 HB2 LYS A 169 34.436 14.088 65.660 1.00 15.39 H new ATOM 0 HB3 LYS A 169 33.909 15.547 65.822 1.00 15.39 H new ATOM 0 HG2 LYS A 169 33.204 15.624 63.556 1.00 14.94 H new ATOM 0 HG3 LYS A 169 33.942 14.289 63.230 1.00 14.94 H new ATOM 0 HD2 LYS A 169 32.394 13.065 64.483 1.00 14.47 H new ATOM 0 HD3 LYS A 169 31.718 14.375 64.993 1.00 14.47 H new ATOM 0 HE2 LYS A 169 30.910 14.839 62.827 1.00 14.37 H new ATOM 0 HE3 LYS A 169 31.657 13.593 62.258 1.00 14.37 H new ATOM 0 HZ1 LYS A 169 29.487 13.055 62.725 1.00 17.00 H new ATOM 0 HZ2 LYS A 169 30.346 12.265 63.591 1.00 17.00 H new ATOM 0 HZ3 LYS A 169 29.650 13.425 64.120 1.00 17.00 H new ATOM 2250 N SER A 170 37.244 15.276 66.678 1.00 17.54 N ATOM 2251 CA SER A 170 38.004 15.871 67.829 1.00 17.92 C ATOM 2252 C SER A 170 39.118 16.821 67.336 1.00 17.90 C ATOM 2253 O SER A 170 39.456 17.807 67.975 1.00 19.05 O ATOM 2254 CB SER A 170 38.588 14.735 68.627 1.00 17.57 C ATOM 2255 OG SER A 170 37.420 13.968 68.890 1.00 20.57 O ATOM 0 H SER A 170 37.352 14.432 66.555 1.00 17.54 H new ATOM 0 HA SER A 170 37.407 16.401 68.379 1.00 17.92 H new ATOM 0 HB2 SER A 170 39.251 14.235 68.125 1.00 17.57 H new ATOM 0 HB3 SER A 170 39.019 15.040 69.441 1.00 17.57 H new ATOM 0 HG SER A 170 37.400 13.303 68.377 1.00 20.57 H new ATOM 2261 N ALA A 171 39.639 16.469 66.177 1.00 19.96 N ATOM 2262 CA ALA A 171 40.731 17.262 65.536 1.00 17.82 C ATOM 2263 C ALA A 171 40.142 18.540 64.966 1.00 18.44 C ATOM 2264 O ALA A 171 40.829 19.543 64.976 1.00 21.50 O ATOM 2265 CB ALA A 171 41.371 16.474 64.402 1.00 17.35 C ATOM 0 H ALA A 171 39.390 15.779 65.728 1.00 19.96 H new ATOM 0 HA ALA A 171 41.406 17.462 66.204 1.00 17.82 H new ATOM 0 HB1 ALA A 171 42.077 17.003 63.998 1.00 17.35 H new ATOM 0 HB2 ALA A 171 41.745 15.650 64.751 1.00 17.35 H new ATOM 0 HB3 ALA A 171 40.700 16.266 63.733 1.00 17.35 H new ATOM 2271 N TYR A 172 38.923 18.495 64.482 1.00 15.02 N ATOM 2272 CA TYR A 172 38.310 19.721 63.915 1.00 16.17 C ATOM 2273 C TYR A 172 36.910 19.988 64.526 1.00 18.16 C ATOM 2274 O TYR A 172 35.907 19.869 63.849 1.00 16.65 O ATOM 2275 CB TYR A 172 38.184 19.573 62.387 1.00 16.05 C ATOM 2276 CG TYR A 172 39.544 19.341 61.669 1.00 15.27 C ATOM 2277 CD1 TYR A 172 39.925 18.091 61.219 1.00 15.22 C ATOM 2278 CD2 TYR A 172 40.392 20.395 61.457 1.00 15.38 C ATOM 2279 CE1 TYR A 172 41.119 17.897 60.573 1.00 15.93 C ATOM 2280 CE2 TYR A 172 41.594 20.211 60.809 1.00 16.77 C ATOM 2281 CZ TYR A 172 41.965 18.952 60.362 1.00 16.07 C ATOM 2282 OH TYR A 172 43.162 18.749 59.725 1.00 16.16 O ATOM 0 H TYR A 172 38.427 17.793 64.462 1.00 15.02 H new ATOM 0 HA TYR A 172 38.883 20.473 64.131 1.00 16.17 H new ATOM 0 HB2 TYR A 172 37.592 18.831 62.189 1.00 16.05 H new ATOM 0 HB3 TYR A 172 37.768 20.371 62.026 1.00 16.05 H new ATOM 0 HD1 TYR A 172 39.359 17.366 61.357 1.00 15.22 H new ATOM 0 HD2 TYR A 172 40.154 21.244 61.753 1.00 15.38 H new ATOM 0 HE1 TYR A 172 41.354 17.047 60.278 1.00 15.93 H new ATOM 0 HE2 TYR A 172 42.160 20.936 60.671 1.00 16.77 H new ATOM 0 HH TYR A 172 43.149 18.005 59.335 1.00 16.16 H new ATOM 2292 N PRO A 173 36.826 20.348 65.787 1.00 17.54 N ATOM 2293 CA PRO A 173 35.518 20.566 66.467 1.00 17.80 C ATOM 2294 C PRO A 173 34.569 21.533 65.723 1.00 14.29 C ATOM 2295 O PRO A 173 34.950 22.635 65.384 1.00 16.48 O ATOM 2296 CB PRO A 173 35.921 21.061 67.885 1.00 18.17 C ATOM 2297 CG PRO A 173 37.314 20.435 68.103 1.00 19.99 C ATOM 2298 CD PRO A 173 37.982 20.584 66.707 1.00 19.31 C ATOM 0 HA PRO A 173 34.986 19.755 66.493 1.00 17.80 H new ATOM 0 HB2 PRO A 173 35.954 22.029 67.929 1.00 18.17 H new ATOM 0 HB3 PRO A 173 35.288 20.768 68.559 1.00 18.17 H new ATOM 0 HG2 PRO A 173 37.814 20.900 68.792 1.00 19.99 H new ATOM 0 HG3 PRO A 173 37.252 19.506 68.375 1.00 19.99 H new ATOM 0 HD2 PRO A 173 38.372 21.463 66.583 1.00 19.31 H new ATOM 0 HD3 PRO A 173 38.692 19.937 66.573 1.00 19.31 H new ATOM 2306 N GLY A 174 33.369 21.098 65.489 1.00 16.25 N ATOM 2307 CA GLY A 174 32.333 21.928 64.786 1.00 16.44 C ATOM 2308 C GLY A 174 32.604 22.162 63.316 1.00 14.07 C ATOM 2309 O GLY A 174 31.898 22.964 62.737 1.00 16.26 O ATOM 0 H GLY A 174 33.094 20.316 65.719 1.00 16.25 H new ATOM 0 HA2 GLY A 174 31.471 21.494 64.879 1.00 16.44 H new ATOM 0 HA3 GLY A 174 32.267 22.787 65.231 1.00 16.44 H new ATOM 2313 N GLN A 175 33.565 21.492 62.749 1.00 13.56 N ATOM 2314 CA GLN A 175 33.855 21.710 61.307 1.00 14.82 C ATOM 2315 C GLN A 175 33.547 20.527 60.386 1.00 16.47 C ATOM 2316 O GLN A 175 33.465 20.738 59.191 1.00 17.81 O ATOM 2317 CB GLN A 175 35.337 22.055 61.117 1.00 16.77 C ATOM 2318 CG GLN A 175 35.715 23.383 61.778 1.00 19.00 C ATOM 2319 CD GLN A 175 37.185 23.645 61.467 1.00 22.16 C ATOM 2320 OE1 GLN A 175 38.048 23.044 62.059 1.00 25.56 O ATOM 2321 NE2 GLN A 175 37.568 24.485 60.569 1.00 25.04 N ATOM 0 H GLN A 175 34.066 20.915 63.144 1.00 13.56 H new ATOM 0 HA GLN A 175 33.261 22.433 61.053 1.00 14.82 H new ATOM 0 HB2 GLN A 175 35.882 21.344 61.489 1.00 16.77 H new ATOM 0 HB3 GLN A 175 35.537 22.100 60.169 1.00 16.77 H new ATOM 0 HG2 GLN A 175 35.161 24.103 61.439 1.00 19.00 H new ATOM 0 HG3 GLN A 175 35.571 23.341 62.736 1.00 19.00 H new ATOM 0 HE21 GLN A 175 36.985 24.934 60.124 1.00 25.04 H new ATOM 0 HE22 GLN A 175 38.407 24.597 60.415 1.00 25.04 H new ATOM 2330 N ILE A 176 33.373 19.343 60.897 1.00 14.85 N ATOM 2331 CA ILE A 176 33.098 18.177 60.011 1.00 12.85 C ATOM 2332 C ILE A 176 31.619 17.915 59.850 1.00 13.64 C ATOM 2333 O ILE A 176 30.860 17.943 60.802 1.00 14.21 O ATOM 2334 CB ILE A 176 33.830 16.968 60.633 1.00 12.28 C ATOM 2335 CG1 ILE A 176 35.344 17.294 60.874 1.00 12.41 C ATOM 2336 CG2 ILE A 176 33.742 15.654 59.841 1.00 13.28 C ATOM 2337 CD1 ILE A 176 36.130 17.659 59.598 1.00 11.37 C ATOM 0 H ILE A 176 33.404 19.163 61.737 1.00 14.85 H new ATOM 0 HA ILE A 176 33.421 18.352 59.113 1.00 12.85 H new ATOM 0 HB ILE A 176 33.356 16.820 61.466 1.00 12.28 H new ATOM 0 HG12 ILE A 176 35.409 18.030 61.502 1.00 12.41 H new ATOM 0 HG13 ILE A 176 35.766 16.527 61.292 1.00 12.41 H new ATOM 0 HG21 ILE A 176 34.230 14.960 60.311 1.00 13.28 H new ATOM 0 HG22 ILE A 176 32.813 15.391 59.752 1.00 13.28 H new ATOM 0 HG23 ILE A 176 34.128 15.780 58.960 1.00 13.28 H new ATOM 0 HD11 ILE A 176 37.053 17.846 59.829 1.00 11.37 H new ATOM 0 HD12 ILE A 176 36.097 16.917 58.974 1.00 11.37 H new ATOM 0 HD13 ILE A 176 35.734 18.444 59.187 1.00 11.37 H new ATOM 2349 N THR A 177 31.233 17.676 58.637 1.00 14.01 N ATOM 2350 CA THR A 177 29.817 17.392 58.351 1.00 13.81 C ATOM 2351 C THR A 177 29.760 15.935 57.895 1.00 12.81 C ATOM 2352 O THR A 177 30.774 15.247 57.773 1.00 12.23 O ATOM 2353 CB THR A 177 29.302 18.318 57.226 1.00 12.34 C ATOM 2354 OG1 THR A 177 30.061 18.041 56.043 1.00 10.60 O ATOM 2355 CG2 THR A 177 29.590 19.778 57.547 1.00 12.82 C ATOM 0 H THR A 177 31.752 17.668 57.951 1.00 14.01 H new ATOM 0 HA THR A 177 29.262 17.544 59.132 1.00 13.81 H new ATOM 0 HB THR A 177 28.349 18.167 57.124 1.00 12.34 H new ATOM 0 HG1 THR A 177 29.740 18.471 55.397 1.00 10.60 H new ATOM 0 HG21 THR A 177 29.259 20.339 56.828 1.00 12.82 H new ATOM 0 HG22 THR A 177 29.148 20.020 58.376 1.00 12.82 H new ATOM 0 HG23 THR A 177 30.547 19.906 57.642 1.00 12.82 H new ATOM 2363 N SER A 178 28.542 15.530 57.648 1.00 13.41 N ATOM 2364 CA SER A 178 28.279 14.157 57.181 1.00 16.40 C ATOM 2365 C SER A 178 28.839 13.967 55.780 1.00 12.14 C ATOM 2366 O SER A 178 28.878 12.852 55.303 1.00 15.30 O ATOM 2367 CB SER A 178 26.780 13.896 57.138 1.00 21.40 C ATOM 2368 OG SER A 178 26.225 14.993 56.405 1.00 25.85 O ATOM 0 H SER A 178 27.841 16.020 57.738 1.00 13.41 H new ATOM 0 HA SER A 178 28.705 13.540 57.796 1.00 16.40 H new ATOM 0 HB2 SER A 178 26.584 13.051 56.704 1.00 21.40 H new ATOM 0 HB3 SER A 178 26.407 13.849 58.032 1.00 21.40 H new ATOM 0 HG SER A 178 25.392 14.900 56.348 1.00 25.85 H new ATOM 2374 N ASN A 179 29.264 15.031 55.151 1.00 10.48 N ATOM 2375 CA ASN A 179 29.824 14.904 53.762 1.00 12.94 C ATOM 2376 C ASN A 179 31.331 14.937 53.746 1.00 12.71 C ATOM 2377 O ASN A 179 31.929 15.186 52.709 1.00 14.44 O ATOM 2378 CB ASN A 179 29.360 16.044 52.871 1.00 12.77 C ATOM 2379 CG ASN A 179 27.862 16.021 52.807 1.00 13.55 C ATOM 2380 OD1 ASN A 179 27.235 14.984 52.658 1.00 14.45 O ATOM 2381 ND2 ASN A 179 27.244 17.160 52.921 1.00 17.73 N ATOM 0 H ASN A 179 29.253 15.829 55.471 1.00 10.48 H new ATOM 0 HA ASN A 179 29.503 14.049 53.435 1.00 12.94 H new ATOM 0 HB2 ASN A 179 29.669 16.894 53.223 1.00 12.77 H new ATOM 0 HB3 ASN A 179 29.737 15.951 51.982 1.00 12.77 H new ATOM 0 HD21 ASN A 179 26.385 17.188 52.892 1.00 17.73 H new ATOM 0 HD22 ASN A 179 27.694 17.885 53.026 1.00 17.73 H new ATOM 2388 N MET A 180 31.930 14.683 54.879 1.00 12.59 N ATOM 2389 CA MET A 180 33.398 14.691 54.963 1.00 11.58 C ATOM 2390 C MET A 180 33.863 13.541 55.807 1.00 11.30 C ATOM 2391 O MET A 180 33.083 13.069 56.605 1.00 12.85 O ATOM 2392 CB MET A 180 33.882 15.905 55.662 1.00 11.75 C ATOM 2393 CG MET A 180 33.381 17.259 55.140 1.00 11.88 C ATOM 2394 SD MET A 180 33.852 18.627 56.254 1.00 14.32 S ATOM 2395 CE MET A 180 33.135 20.057 55.444 1.00 14.78 C ATOM 0 H MET A 180 31.525 14.503 55.616 1.00 12.59 H new ATOM 0 HA MET A 180 33.735 14.647 54.054 1.00 11.58 H new ATOM 0 HB2 MET A 180 33.635 15.833 56.597 1.00 11.75 H new ATOM 0 HB3 MET A 180 34.851 15.908 55.624 1.00 11.75 H new ATOM 0 HG2 MET A 180 33.746 17.421 54.256 1.00 11.88 H new ATOM 0 HG3 MET A 180 32.416 17.234 55.048 1.00 11.88 H new ATOM 0 HE1 MET A 180 33.329 20.854 55.962 1.00 14.78 H new ATOM 0 HE2 MET A 180 33.513 20.149 54.556 1.00 14.78 H new ATOM 0 HE3 MET A 180 32.174 19.943 55.376 1.00 14.78 H new ATOM 2405 N PHE A 181 35.080 13.120 55.627 1.00 11.22 N ATOM 2406 CA PHE A 181 35.673 12.009 56.447 1.00 10.62 C ATOM 2407 C PHE A 181 37.158 12.375 56.481 1.00 10.37 C ATOM 2408 O PHE A 181 37.636 13.167 55.679 1.00 12.79 O ATOM 2409 CB PHE A 181 35.474 10.528 55.823 1.00 10.61 C ATOM 2410 CG PHE A 181 36.199 10.185 54.502 1.00 10.73 C ATOM 2411 CD1 PHE A 181 37.514 9.768 54.484 1.00 12.29 C ATOM 2412 CD2 PHE A 181 35.536 10.310 53.288 1.00 12.65 C ATOM 2413 CE1 PHE A 181 38.142 9.485 53.291 1.00 13.81 C ATOM 2414 CE2 PHE A 181 36.159 10.029 52.096 1.00 11.71 C ATOM 2415 CZ PHE A 181 37.460 9.616 52.098 1.00 11.56 C ATOM 0 H PHE A 181 35.614 13.445 55.037 1.00 11.22 H new ATOM 0 HA PHE A 181 35.241 11.948 57.313 1.00 10.62 H new ATOM 0 HB2 PHE A 181 35.758 9.885 56.492 1.00 10.61 H new ATOM 0 HB3 PHE A 181 34.524 10.391 55.683 1.00 10.61 H new ATOM 0 HD1 PHE A 181 37.980 9.677 55.284 1.00 12.29 H new ATOM 0 HD2 PHE A 181 34.649 10.591 53.282 1.00 12.65 H new ATOM 0 HE1 PHE A 181 39.029 9.205 53.289 1.00 13.81 H new ATOM 0 HE2 PHE A 181 35.698 10.120 51.294 1.00 11.71 H new ATOM 0 HZ PHE A 181 37.887 9.423 51.295 1.00 11.56 H new ATOM 2425 N CYS A 182 37.856 11.794 57.405 1.00 12.99 N ATOM 2426 CA CYS A 182 39.303 12.035 57.570 1.00 12.50 C ATOM 2427 C CYS A 182 40.039 10.762 57.261 1.00 12.01 C ATOM 2428 O CYS A 182 39.519 9.684 57.476 1.00 13.37 O ATOM 2429 CB CYS A 182 39.658 12.446 59.044 1.00 14.12 C ATOM 2430 SG CYS A 182 39.165 14.071 59.650 1.00 14.72 S ATOM 0 H CYS A 182 37.526 11.239 57.973 1.00 12.99 H new ATOM 0 HA CYS A 182 39.557 12.756 56.973 1.00 12.50 H new ATOM 0 HB2 CYS A 182 39.266 11.784 59.634 1.00 14.12 H new ATOM 0 HB3 CYS A 182 40.621 12.378 59.142 1.00 14.12 H new ATOM 2435 N ALA A 183 41.232 10.912 56.774 1.00 12.79 N ATOM 2436 CA ALA A 183 42.077 9.747 56.439 1.00 13.64 C ATOM 2437 C ALA A 183 43.496 10.213 56.711 1.00 15.82 C ATOM 2438 O ALA A 183 43.771 11.393 56.550 1.00 17.71 O ATOM 2439 CB ALA A 183 41.987 9.391 54.991 1.00 15.23 C ATOM 0 H ALA A 183 41.597 11.675 56.619 1.00 12.79 H new ATOM 0 HA ALA A 183 41.803 8.970 56.950 1.00 13.64 H new ATOM 0 HB1 ALA A 183 42.553 8.624 54.810 1.00 15.23 H new ATOM 0 HB2 ALA A 183 41.068 9.174 54.767 1.00 15.23 H new ATOM 0 HB3 ALA A 183 42.281 10.143 54.454 1.00 15.23 H new ATOM 2445 N GLY A 184A 44.364 9.319 57.078 1.00 17.02 N ATOM 2446 CA GLY A 184A 45.757 9.741 57.351 1.00 19.06 C ATOM 2447 C GLY A 184A 46.267 9.097 58.634 1.00 23.14 C ATOM 2448 O GLY A 184A 45.820 8.033 59.040 1.00 22.46 O ATOM 0 H GLY A 184A 44.202 8.481 57.180 1.00 17.02 H new ATOM 0 HA2 GLY A 184A 46.328 9.491 56.608 1.00 19.06 H new ATOM 0 HA3 GLY A 184A 45.799 10.707 57.429 1.00 19.06 H new ATOM 2452 N TYR A 184 47.205 9.777 59.235 1.00 26.87 N ATOM 2453 CA TYR A 184 47.859 9.321 60.495 1.00 29.76 C ATOM 2454 C TYR A 184 47.853 10.462 61.502 1.00 32.12 C ATOM 2455 O TYR A 184 48.386 11.522 61.226 1.00 31.67 O ATOM 2456 CB TYR A 184 49.316 8.906 60.157 1.00 29.25 C ATOM 2457 CG TYR A 184 49.288 7.812 59.091 1.00 29.80 C ATOM 2458 CD1 TYR A 184 49.113 8.118 57.751 1.00 29.03 C ATOM 2459 CD2 TYR A 184 49.418 6.506 59.469 1.00 29.81 C ATOM 2460 CE1 TYR A 184 49.067 7.122 56.804 1.00 27.86 C ATOM 2461 CE2 TYR A 184 49.373 5.510 58.527 1.00 28.82 C ATOM 2462 CZ TYR A 184 49.197 5.806 57.187 1.00 28.31 C ATOM 2463 OH TYR A 184 49.139 4.796 56.251 1.00 26.74 O ATOM 0 H TYR A 184 47.503 10.529 58.942 1.00 26.87 H new ATOM 0 HA TYR A 184 47.384 8.567 60.879 1.00 29.76 H new ATOM 0 HB2 TYR A 184 49.817 9.673 59.837 1.00 29.25 H new ATOM 0 HB3 TYR A 184 49.766 8.585 60.954 1.00 29.25 H new ATOM 0 HD1 TYR A 184 49.026 9.006 57.489 1.00 29.03 H new ATOM 0 HD2 TYR A 184 49.537 6.292 60.366 1.00 29.81 H new ATOM 0 HE1 TYR A 184 48.948 7.337 55.907 1.00 27.86 H new ATOM 0 HE2 TYR A 184 49.462 4.623 58.793 1.00 28.82 H new ATOM 0 HH TYR A 184 49.131 5.129 55.480 1.00 26.74 H new ATOM 2473 N LEU A 185 47.269 10.233 62.642 1.00 35.00 N ATOM 2474 CA LEU A 185 47.233 11.314 63.693 1.00 35.74 C ATOM 2475 C LEU A 185 48.654 11.612 64.182 1.00 35.54 C ATOM 2476 O LEU A 185 48.919 12.680 64.693 1.00 33.28 O ATOM 2477 CB LEU A 185 46.373 10.858 64.861 1.00 36.10 C ATOM 2478 CG LEU A 185 44.900 10.650 64.378 1.00 37.54 C ATOM 2479 CD1 LEU A 185 44.062 10.292 65.614 1.00 38.45 C ATOM 2480 CD2 LEU A 185 44.319 11.940 63.728 1.00 36.03 C ATOM 0 H LEU A 185 46.887 9.494 62.860 1.00 35.00 H new ATOM 0 HA LEU A 185 46.854 12.121 63.310 1.00 35.74 H new ATOM 0 HB2 LEU A 185 46.722 10.031 65.228 1.00 36.10 H new ATOM 0 HB3 LEU A 185 46.400 11.518 65.571 1.00 36.10 H new ATOM 0 HG LEU A 185 44.878 9.949 63.708 1.00 37.54 H new ATOM 0 HD11 LEU A 185 43.139 10.155 65.351 1.00 38.45 H new ATOM 0 HD12 LEU A 185 44.407 9.479 66.015 1.00 38.45 H new ATOM 0 HD13 LEU A 185 44.110 11.015 66.258 1.00 38.45 H new ATOM 0 HD21 LEU A 185 43.407 11.775 63.441 1.00 36.03 H new ATOM 0 HD22 LEU A 185 44.328 12.662 64.376 1.00 36.03 H new ATOM 0 HD23 LEU A 185 44.859 12.188 62.961 1.00 36.03 H new ATOM 2492 N GLU A 186 49.547 10.668 64.041 1.00 37.18 N ATOM 2493 CA GLU A 186 50.941 10.956 64.495 1.00 39.42 C ATOM 2494 C GLU A 186 51.492 12.057 63.540 1.00 41.74 C ATOM 2495 O GLU A 186 52.397 12.785 63.905 1.00 43.85 O ATOM 2496 CB GLU A 186 51.871 9.690 64.406 1.00 39.75 C ATOM 2497 CG GLU A 186 51.628 8.773 63.155 1.00 40.94 C ATOM 2498 CD GLU A 186 50.563 7.685 63.518 0.21 41.78 C ATOM 2499 OE1 GLU A 186 50.978 6.729 64.155 0.21 43.18 O ATOM 2500 OE2 GLU A 186 49.405 7.842 63.165 0.21 40.75 O ATOM 0 H GLU A 186 49.409 9.887 63.708 1.00 37.18 H new ATOM 0 HA GLU A 186 50.930 11.234 65.424 1.00 39.42 H new ATOM 0 HB2 GLU A 186 52.795 9.984 64.399 1.00 39.75 H new ATOM 0 HB3 GLU A 186 51.748 9.159 65.208 1.00 39.75 H new ATOM 0 HG2 GLU A 186 51.321 9.305 62.404 1.00 40.94 H new ATOM 0 HG3 GLU A 186 52.458 8.351 62.883 1.00 40.94 H new ATOM 2507 N GLY A 187 50.931 12.135 62.355 1.00 40.09 N ATOM 2508 CA GLY A 187 51.379 13.151 61.354 1.00 39.74 C ATOM 2509 C GLY A 187 52.437 12.452 60.488 1.00 39.61 C ATOM 2510 O GLY A 187 52.606 11.245 60.568 1.00 39.16 O ATOM 0 H GLY A 187 50.292 11.625 62.088 1.00 40.09 H new ATOM 0 HA2 GLY A 187 50.634 13.458 60.813 1.00 39.74 H new ATOM 0 HA3 GLY A 187 51.750 13.932 61.794 1.00 39.74 H new ATOM 2514 N GLY A 188A 53.126 13.186 59.659 1.00 38.54 N ATOM 2515 CA GLY A 188A 54.180 12.529 58.811 1.00 38.24 C ATOM 2516 C GLY A 188A 53.774 12.180 57.400 1.00 35.39 C ATOM 2517 O GLY A 188A 54.557 12.275 56.470 1.00 34.24 O ATOM 0 H GLY A 188A 53.032 14.034 59.548 1.00 38.54 H new ATOM 0 HA2 GLY A 188A 54.950 13.118 58.770 1.00 38.24 H new ATOM 0 HA3 GLY A 188A 54.467 11.716 59.256 1.00 38.24 H new ATOM 2521 N LYS A 188 52.550 11.774 57.287 1.00 32.14 N ATOM 2522 CA LYS A 188 52.014 11.390 55.959 1.00 30.79 C ATOM 2523 C LYS A 188 50.713 12.167 55.757 1.00 29.03 C ATOM 2524 O LYS A 188 49.946 12.225 56.708 1.00 28.28 O ATOM 2525 CB LYS A 188 51.808 9.891 56.019 1.00 31.11 C ATOM 2526 CG LYS A 188 53.170 9.158 55.920 1.00 32.15 C ATOM 2527 CD LYS A 188 52.996 7.702 56.456 1.00 31.27 C ATOM 2528 CE LYS A 188 54.283 6.892 56.192 0.30 30.25 C ATOM 2529 NZ LYS A 188 53.973 5.432 56.179 0.30 30.43 N ATOM 0 H LYS A 188 51.995 11.703 57.940 1.00 32.14 H new ATOM 0 HA LYS A 188 52.596 11.597 55.211 1.00 30.79 H new ATOM 0 HB2 LYS A 188 51.364 9.652 56.848 1.00 31.11 H new ATOM 0 HB3 LYS A 188 51.228 9.608 55.295 1.00 31.11 H new ATOM 0 HG2 LYS A 188 53.478 9.143 55.000 1.00 32.15 H new ATOM 0 HG3 LYS A 188 53.843 9.628 56.437 1.00 32.15 H new ATOM 0 HD2 LYS A 188 52.804 7.719 57.407 1.00 31.27 H new ATOM 0 HD3 LYS A 188 52.241 7.276 56.021 1.00 31.27 H new ATOM 0 HE2 LYS A 188 54.672 7.155 55.343 0.30 30.25 H new ATOM 0 HE3 LYS A 188 54.942 7.084 56.878 0.30 30.25 H new ATOM 0 HZ1 LYS A 188 54.719 4.971 56.026 0.30 30.43 H new ATOM 0 HZ2 LYS A 188 53.633 5.193 56.966 0.30 30.43 H new ATOM 0 HZ3 LYS A 188 53.382 5.260 55.537 0.30 30.43 H new ATOM 2543 N ASP A 189 50.471 12.728 54.590 1.00 25.90 N ATOM 2544 CA ASP A 189 49.197 13.506 54.358 1.00 25.24 C ATOM 2545 C ASP A 189 49.145 14.105 52.936 1.00 25.39 C ATOM 2546 O ASP A 189 50.147 14.096 52.229 1.00 21.21 O ATOM 2547 CB ASP A 189 49.129 14.671 55.348 1.00 24.59 C ATOM 2548 CG ASP A 189 47.746 15.344 55.525 1.00 27.07 C ATOM 2549 OD1 ASP A 189 47.807 16.315 56.266 1.00 30.74 O ATOM 2550 OD2 ASP A 189 46.739 14.912 54.981 1.00 23.32 O ATOM 0 H ASP A 189 51.000 12.690 53.913 1.00 25.90 H new ATOM 0 HA ASP A 189 48.456 12.891 54.475 1.00 25.24 H new ATOM 0 HB2 ASP A 189 49.425 14.351 56.215 1.00 24.59 H new ATOM 0 HB3 ASP A 189 49.763 15.348 55.064 1.00 24.59 H new ATOM 2555 N SER A 190 47.990 14.619 52.568 1.00 23.11 N ATOM 2556 CA SER A 190 47.818 15.239 51.238 1.00 27.72 C ATOM 2557 C SER A 190 48.247 16.673 51.609 1.00 29.04 C ATOM 2558 O SER A 190 48.390 16.994 52.783 1.00 29.18 O ATOM 2559 CB SER A 190 46.319 15.112 50.793 1.00 27.44 C ATOM 2560 OG SER A 190 45.584 15.568 51.913 1.00 28.47 O ATOM 0 H SER A 190 47.285 14.627 53.061 1.00 23.11 H new ATOM 0 HA SER A 190 48.308 14.864 50.489 1.00 27.72 H new ATOM 0 HB2 SER A 190 46.136 15.649 50.007 1.00 27.44 H new ATOM 0 HB3 SER A 190 46.092 14.196 50.569 1.00 27.44 H new ATOM 0 HG SER A 190 45.128 14.935 52.226 1.00 28.47 H new ATOM 2566 N CYS A 191 48.435 17.494 50.617 1.00 30.01 N ATOM 2567 CA CYS A 191 48.881 18.878 50.875 1.00 30.14 C ATOM 2568 C CYS A 191 48.416 19.747 49.714 1.00 31.75 C ATOM 2569 O CYS A 191 47.811 19.229 48.779 1.00 30.33 O ATOM 2570 CB CYS A 191 50.400 18.777 50.999 1.00 31.09 C ATOM 2571 SG CYS A 191 51.212 20.126 51.853 1.00 34.39 S ATOM 0 H CYS A 191 48.318 17.296 49.788 1.00 30.01 H new ATOM 0 HA CYS A 191 48.518 19.284 51.678 1.00 30.14 H new ATOM 0 HB2 CYS A 191 50.614 17.951 51.460 1.00 31.09 H new ATOM 0 HB3 CYS A 191 50.775 18.710 50.107 1.00 31.09 H new ATOM 2576 N GLN A 192 48.703 21.018 49.754 1.00 30.15 N ATOM 2577 CA GLN A 192 48.226 21.832 48.606 1.00 31.70 C ATOM 2578 C GLN A 192 48.938 21.437 47.331 1.00 25.25 C ATOM 2579 O GLN A 192 50.122 21.165 47.285 1.00 24.43 O ATOM 2580 CB GLN A 192 48.421 23.345 48.872 1.00 37.21 C ATOM 2581 CG GLN A 192 49.619 23.739 49.786 1.00 41.55 C ATOM 2582 CD GLN A 192 49.006 24.666 50.891 1.00 45.35 C ATOM 2583 OE1 GLN A 192 48.209 24.219 51.701 1.00 46.59 O ATOM 2584 NE2 GLN A 192 49.324 25.934 50.950 1.00 47.77 N ATOM 0 H GLN A 192 49.137 21.429 50.372 1.00 30.15 H new ATOM 0 HA GLN A 192 47.277 21.658 48.501 1.00 31.70 H new ATOM 0 HB2 GLN A 192 48.530 23.792 48.018 1.00 37.21 H new ATOM 0 HB3 GLN A 192 47.607 23.691 49.271 1.00 37.21 H new ATOM 0 HG2 GLN A 192 50.034 22.954 50.177 1.00 41.55 H new ATOM 0 HG3 GLN A 192 50.307 24.202 49.282 1.00 41.55 H new ATOM 0 HE21 GLN A 192 49.884 26.264 50.386 1.00 47.77 H new ATOM 0 HE22 GLN A 192 48.973 26.438 51.552 1.00 47.77 H new ATOM 2593 N GLY A 193 48.111 21.429 46.325 1.00 20.11 N ATOM 2594 CA GLY A 193 48.528 21.062 44.947 1.00 19.17 C ATOM 2595 C GLY A 193 47.847 19.709 44.682 1.00 17.78 C ATOM 2596 O GLY A 193 47.701 19.309 43.545 1.00 15.66 O ATOM 0 H GLY A 193 47.279 21.634 46.394 1.00 20.11 H new ATOM 0 HA2 GLY A 193 48.246 21.731 44.303 1.00 19.17 H new ATOM 0 HA3 GLY A 193 49.493 20.991 44.878 1.00 19.17 H new ATOM 2600 N ASP A 194 47.448 19.046 45.757 1.00 16.49 N ATOM 2601 CA ASP A 194 46.765 17.704 45.683 1.00 16.55 C ATOM 2602 C ASP A 194 45.227 17.835 45.681 1.00 15.68 C ATOM 2603 O ASP A 194 44.534 16.871 45.396 1.00 14.17 O ATOM 2604 CB ASP A 194 47.141 16.842 46.903 1.00 18.72 C ATOM 2605 CG ASP A 194 48.633 16.485 46.973 1.00 18.61 C ATOM 2606 OD1 ASP A 194 49.161 16.541 48.078 1.00 19.70 O ATOM 2607 OD2 ASP A 194 49.161 16.158 45.925 1.00 17.62 O ATOM 0 H ASP A 194 47.553 19.339 46.559 1.00 16.49 H new ATOM 0 HA ASP A 194 47.060 17.294 44.855 1.00 16.55 H new ATOM 0 HB2 ASP A 194 46.892 17.315 47.712 1.00 18.72 H new ATOM 0 HB3 ASP A 194 46.622 16.023 46.882 1.00 18.72 H new ATOM 2612 N SER A 195 44.775 19.017 46.017 1.00 15.10 N ATOM 2613 CA SER A 195 43.313 19.307 46.059 1.00 16.01 C ATOM 2614 C SER A 195 42.587 18.803 44.796 1.00 15.51 C ATOM 2615 O SER A 195 43.121 18.997 43.720 1.00 9.13 O ATOM 2616 CB SER A 195 42.999 20.812 46.104 1.00 19.41 C ATOM 2617 OG SER A 195 43.571 21.278 47.315 1.00 23.22 O ATOM 0 H SER A 195 45.277 19.682 46.229 1.00 15.10 H new ATOM 0 HA SER A 195 43.012 18.857 46.864 1.00 16.01 H new ATOM 0 HB2 SER A 195 43.378 21.272 45.338 1.00 19.41 H new ATOM 0 HB3 SER A 195 42.042 20.971 46.085 1.00 19.41 H new ATOM 2622 N GLY A 196 41.444 18.195 45.004 1.00 13.17 N ATOM 2623 CA GLY A 196 40.637 17.676 43.869 1.00 11.58 C ATOM 2624 C GLY A 196 40.957 16.254 43.495 1.00 11.61 C ATOM 2625 O GLY A 196 40.178 15.614 42.817 1.00 11.66 O ATOM 0 H GLY A 196 41.100 18.062 45.781 1.00 13.17 H new ATOM 0 HA2 GLY A 196 39.696 17.737 44.097 1.00 11.58 H new ATOM 0 HA3 GLY A 196 40.779 18.244 43.096 1.00 11.58 H new ATOM 2629 N GLY A 197 42.081 15.800 43.949 1.00 11.96 N ATOM 2630 CA GLY A 197 42.516 14.428 43.647 1.00 12.10 C ATOM 2631 C GLY A 197 41.704 13.324 44.312 1.00 13.53 C ATOM 2632 O GLY A 197 40.887 13.587 45.178 1.00 11.60 O ATOM 0 H GLY A 197 42.626 16.252 44.437 1.00 11.96 H new ATOM 0 HA2 GLY A 197 42.483 14.299 42.686 1.00 12.10 H new ATOM 0 HA3 GLY A 197 43.443 14.333 43.915 1.00 12.10 H new ATOM 2636 N PRO A 198 41.982 12.116 43.850 1.00 12.15 N ATOM 2637 CA PRO A 198 41.360 10.874 44.322 1.00 12.12 C ATOM 2638 C PRO A 198 41.857 10.186 45.588 1.00 12.37 C ATOM 2639 O PRO A 198 43.026 10.268 45.915 1.00 13.98 O ATOM 2640 CB PRO A 198 41.516 9.936 43.195 1.00 11.82 C ATOM 2641 CG PRO A 198 42.856 10.331 42.601 1.00 12.27 C ATOM 2642 CD PRO A 198 42.950 11.825 42.742 1.00 12.57 C ATOM 0 HA PRO A 198 40.463 11.127 44.590 1.00 12.12 H new ATOM 0 HB2 PRO A 198 41.514 9.013 43.494 1.00 11.82 H new ATOM 0 HB3 PRO A 198 40.797 10.027 42.550 1.00 11.82 H new ATOM 0 HG2 PRO A 198 43.585 9.892 43.067 1.00 12.27 H new ATOM 0 HG3 PRO A 198 42.914 10.066 41.670 1.00 12.27 H new ATOM 0 HD2 PRO A 198 43.850 12.109 42.966 1.00 12.57 H new ATOM 0 HD3 PRO A 198 42.705 12.280 41.921 1.00 12.57 H new ATOM 2650 N VAL A 199 40.911 9.531 46.219 1.00 11.11 N ATOM 2651 CA VAL A 199 41.144 8.740 47.464 1.00 12.36 C ATOM 2652 C VAL A 199 40.346 7.508 46.985 1.00 11.70 C ATOM 2653 O VAL A 199 39.113 7.534 46.919 1.00 11.56 O ATOM 2654 CB VAL A 199 40.482 9.336 48.699 1.00 12.24 C ATOM 2655 CG1 VAL A 199 40.825 8.390 49.883 1.00 14.06 C ATOM 2656 CG2 VAL A 199 41.041 10.718 49.013 1.00 12.69 C ATOM 0 H VAL A 199 40.094 9.517 45.952 1.00 11.11 H new ATOM 0 HA VAL A 199 42.068 8.637 47.742 1.00 12.36 H new ATOM 0 HB VAL A 199 39.527 9.423 48.552 1.00 12.24 H new ATOM 0 HG11 VAL A 199 40.422 8.731 50.697 1.00 14.06 H new ATOM 0 HG12 VAL A 199 40.480 7.502 49.699 1.00 14.06 H new ATOM 0 HG13 VAL A 199 41.788 8.345 49.993 1.00 14.06 H new ATOM 0 HG21 VAL A 199 40.603 11.073 49.802 1.00 12.69 H new ATOM 0 HG22 VAL A 199 41.995 10.652 49.176 1.00 12.69 H new ATOM 0 HG23 VAL A 199 40.882 11.310 48.261 1.00 12.69 H new ATOM 2666 N VAL A 200 41.064 6.471 46.657 1.00 10.32 N ATOM 2667 CA VAL A 200 40.412 5.233 46.164 1.00 11.02 C ATOM 2668 C VAL A 200 40.624 4.150 47.205 1.00 11.99 C ATOM 2669 O VAL A 200 41.747 4.002 47.651 1.00 11.11 O ATOM 2670 CB VAL A 200 41.057 4.871 44.741 1.00 12.14 C ATOM 2671 CG1 VAL A 200 40.549 3.529 44.204 1.00 13.75 C ATOM 2672 CG2 VAL A 200 40.588 5.915 43.702 1.00 11.02 C ATOM 0 H VAL A 200 41.922 6.437 46.702 1.00 10.32 H new ATOM 0 HA VAL A 200 39.456 5.335 46.036 1.00 11.02 H new ATOM 0 HB VAL A 200 42.019 4.848 44.866 1.00 12.14 H new ATOM 0 HG11 VAL A 200 40.961 3.347 43.345 1.00 13.75 H new ATOM 0 HG12 VAL A 200 40.778 2.823 44.828 1.00 13.75 H new ATOM 0 HG13 VAL A 200 39.585 3.566 44.098 1.00 13.75 H new ATOM 0 HG21 VAL A 200 40.973 5.706 42.836 1.00 11.02 H new ATOM 0 HG22 VAL A 200 39.620 5.896 43.638 1.00 11.02 H new ATOM 0 HG23 VAL A 200 40.877 6.799 43.978 1.00 11.02 H new ATOM 2682 N CYS A 201 39.549 3.466 47.517 1.00 13.01 N ATOM 2683 CA CYS A 201 39.565 2.356 48.531 1.00 15.46 C ATOM 2684 C CYS A 201 38.795 1.197 47.907 1.00 15.93 C ATOM 2685 O CYS A 201 37.703 1.384 47.410 1.00 13.79 O ATOM 2686 CB CYS A 201 38.862 2.839 49.821 1.00 15.70 C ATOM 2687 SG CYS A 201 39.076 4.593 50.236 1.00 17.05 S ATOM 0 H CYS A 201 38.777 3.608 47.165 1.00 13.01 H new ATOM 0 HA CYS A 201 40.467 2.086 48.763 1.00 15.46 H new ATOM 0 HB2 CYS A 201 37.913 2.658 49.738 1.00 15.70 H new ATOM 0 HB3 CYS A 201 39.188 2.307 50.564 1.00 15.70 H new ATOM 2692 N SER A 202 39.363 0.032 47.947 1.00 19.01 N ATOM 2693 CA SER A 202 38.733 -1.194 47.377 1.00 20.25 C ATOM 2694 C SER A 202 38.213 -1.051 45.958 1.00 19.74 C ATOM 2695 O SER A 202 37.147 -1.524 45.607 1.00 21.45 O ATOM 2696 CB SER A 202 37.588 -1.619 48.287 1.00 22.31 C ATOM 2697 OG SER A 202 38.255 -1.811 49.533 1.00 25.43 O ATOM 0 H SER A 202 40.134 -0.106 48.302 1.00 19.01 H new ATOM 0 HA SER A 202 39.436 -1.861 47.330 1.00 20.25 H new ATOM 0 HB2 SER A 202 36.899 -0.939 48.345 1.00 22.31 H new ATOM 0 HB3 SER A 202 37.159 -2.431 47.976 1.00 22.31 H new ATOM 0 HG SER A 202 37.699 -2.051 50.115 1.00 25.43 H new ATOM 2703 N GLY A 203 38.997 -0.370 45.178 1.00 18.43 N ATOM 2704 CA GLY A 203 38.635 -0.163 43.766 1.00 18.01 C ATOM 2705 C GLY A 203 37.555 0.878 43.489 1.00 18.27 C ATOM 2706 O GLY A 203 37.107 0.913 42.357 1.00 16.78 O ATOM 0 H GLY A 203 39.741 -0.013 45.421 1.00 18.43 H new ATOM 0 HA2 GLY A 203 39.435 0.093 43.281 1.00 18.01 H new ATOM 0 HA3 GLY A 203 38.340 -1.012 43.400 1.00 18.01 H new ATOM 2710 N LYS A 204 37.179 1.676 44.468 1.00 17.22 N ATOM 2711 CA LYS A 204 36.109 2.718 44.250 1.00 16.82 C ATOM 2712 C LYS A 204 36.627 4.083 44.680 1.00 13.57 C ATOM 2713 O LYS A 204 37.462 4.181 45.562 1.00 10.57 O ATOM 2714 CB LYS A 204 34.859 2.459 45.122 1.00 20.69 C ATOM 2715 CG LYS A 204 34.342 1.011 45.100 1.00 24.05 C ATOM 2716 CD LYS A 204 33.736 0.658 43.740 1.00 27.55 C ATOM 2717 CE LYS A 204 33.326 -0.822 43.797 1.00 31.53 C ATOM 2718 NZ LYS A 204 32.396 -1.116 42.676 1.00 35.65 N ATOM 0 H LYS A 204 37.506 1.656 45.263 1.00 17.22 H new ATOM 0 HA LYS A 204 35.880 2.681 43.308 1.00 16.82 H new ATOM 0 HB2 LYS A 204 35.064 2.701 46.039 1.00 20.69 H new ATOM 0 HB3 LYS A 204 34.147 3.047 44.826 1.00 20.69 H new ATOM 0 HG2 LYS A 204 35.070 0.402 45.300 1.00 24.05 H new ATOM 0 HG3 LYS A 204 33.675 0.893 45.794 1.00 24.05 H new ATOM 0 HD2 LYS A 204 32.968 1.219 43.551 1.00 27.55 H new ATOM 0 HD3 LYS A 204 34.379 0.808 43.029 1.00 27.55 H new ATOM 0 HE2 LYS A 204 34.111 -1.389 43.737 1.00 31.53 H new ATOM 0 HE3 LYS A 204 32.899 -1.018 44.646 1.00 31.53 H new ATOM 0 HZ1 LYS A 204 32.156 -1.973 42.706 1.00 35.65 H new ATOM 0 HZ2 LYS A 204 31.672 -0.603 42.748 1.00 35.65 H new ATOM 0 HZ3 LYS A 204 32.802 -0.949 41.902 1.00 35.65 H new ATOM 2732 N LEU A 209 36.084 5.078 44.052 1.00 13.63 N ATOM 2733 CA LEU A 209 36.484 6.482 44.360 1.00 14.59 C ATOM 2734 C LEU A 209 35.642 6.808 45.598 1.00 12.79 C ATOM 2735 O LEU A 209 34.444 6.971 45.458 1.00 14.49 O ATOM 2736 CB LEU A 209 36.095 7.425 43.168 1.00 14.24 C ATOM 2737 CG LEU A 209 36.409 8.894 43.548 1.00 13.76 C ATOM 2738 CD1 LEU A 209 37.911 9.103 43.637 1.00 14.68 C ATOM 2739 CD2 LEU A 209 35.788 9.861 42.521 1.00 14.85 C ATOM 0 H LEU A 209 35.483 4.999 43.442 1.00 13.63 H new ATOM 0 HA LEU A 209 37.437 6.596 44.502 1.00 14.59 H new ATOM 0 HB2 LEU A 209 36.588 7.175 42.371 1.00 14.24 H new ATOM 0 HB3 LEU A 209 35.152 7.329 42.961 1.00 14.24 H new ATOM 0 HG LEU A 209 36.019 9.080 44.416 1.00 13.76 H new ATOM 0 HD11 LEU A 209 38.096 10.025 43.875 1.00 14.68 H new ATOM 0 HD12 LEU A 209 38.280 8.514 44.314 1.00 14.68 H new ATOM 0 HD13 LEU A 209 38.317 8.903 42.779 1.00 14.68 H new ATOM 0 HD21 LEU A 209 35.993 10.775 42.772 1.00 14.85 H new ATOM 0 HD22 LEU A 209 36.154 9.678 41.641 1.00 14.85 H new ATOM 0 HD23 LEU A 209 34.826 9.739 42.502 1.00 14.85 H new ATOM 2751 N GLN A 210 36.260 6.889 46.742 1.00 10.80 N ATOM 2752 CA GLN A 210 35.487 7.199 47.993 1.00 11.47 C ATOM 2753 C GLN A 210 35.715 8.635 48.449 1.00 10.41 C ATOM 2754 O GLN A 210 34.911 9.147 49.203 1.00 8.63 O ATOM 2755 CB GLN A 210 35.905 6.250 49.166 1.00 13.60 C ATOM 2756 CG GLN A 210 35.516 4.770 48.906 1.00 15.80 C ATOM 2757 CD GLN A 210 34.036 4.436 49.164 1.00 17.27 C ATOM 2758 OE1 GLN A 210 33.622 3.296 49.113 1.00 19.47 O ATOM 2759 NE2 GLN A 210 33.168 5.336 49.442 1.00 16.46 N ATOM 0 H GLN A 210 37.105 6.777 46.852 1.00 10.80 H new ATOM 0 HA GLN A 210 34.551 7.068 47.776 1.00 11.47 H new ATOM 0 HB2 GLN A 210 36.864 6.310 49.300 1.00 13.60 H new ATOM 0 HB3 GLN A 210 35.485 6.552 49.987 1.00 13.60 H new ATOM 0 HG2 GLN A 210 35.728 4.550 47.985 1.00 15.80 H new ATOM 0 HG3 GLN A 210 36.065 4.201 49.468 1.00 15.80 H new ATOM 0 HE21 GLN A 210 33.405 6.161 49.491 1.00 16.46 H new ATOM 0 HE22 GLN A 210 32.348 5.115 49.579 1.00 16.46 H new ATOM 2768 N GLY A 211 36.763 9.259 48.025 1.00 9.95 N ATOM 2769 CA GLY A 211 36.967 10.652 48.478 1.00 11.54 C ATOM 2770 C GLY A 211 37.668 11.538 47.444 1.00 12.43 C ATOM 2771 O GLY A 211 38.182 11.033 46.456 1.00 12.15 O ATOM 0 H GLY A 211 37.362 8.939 47.498 1.00 9.95 H new ATOM 0 HA2 GLY A 211 36.106 11.042 48.696 1.00 11.54 H new ATOM 0 HA3 GLY A 211 37.491 10.645 49.295 1.00 11.54 H new ATOM 2775 N ILE A 212 37.620 12.821 47.766 1.00 11.00 N ATOM 2776 CA ILE A 212 38.227 13.923 46.969 1.00 10.37 C ATOM 2777 C ILE A 212 39.055 14.740 47.982 1.00 9.93 C ATOM 2778 O ILE A 212 38.533 15.079 49.035 1.00 10.65 O ATOM 2779 CB ILE A 212 37.128 14.803 46.371 1.00 11.52 C ATOM 2780 CG1 ILE A 212 36.183 13.913 45.472 1.00 12.21 C ATOM 2781 CG2 ILE A 212 37.741 15.970 45.548 1.00 11.84 C ATOM 2782 CD1 ILE A 212 35.020 14.719 44.882 1.00 12.71 C ATOM 0 H ILE A 212 37.223 13.102 48.476 1.00 11.00 H new ATOM 0 HA ILE A 212 38.767 13.589 46.236 1.00 10.37 H new ATOM 0 HB ILE A 212 36.607 15.196 47.088 1.00 11.52 H new ATOM 0 HG12 ILE A 212 36.700 13.520 44.752 1.00 12.21 H new ATOM 0 HG13 ILE A 212 35.831 13.180 46.001 1.00 12.21 H new ATOM 0 HG21 ILE A 212 37.029 16.515 45.178 1.00 11.84 H new ATOM 0 HG22 ILE A 212 38.298 16.515 46.125 1.00 11.84 H new ATOM 0 HG23 ILE A 212 38.279 15.609 44.826 1.00 11.84 H new ATOM 0 HD11 ILE A 212 34.466 14.137 44.339 1.00 12.71 H new ATOM 0 HD12 ILE A 212 34.487 15.093 45.601 1.00 12.71 H new ATOM 0 HD13 ILE A 212 35.370 15.438 44.332 1.00 12.71 H new ATOM 2794 N VAL A 213 40.290 15.027 47.652 1.00 10.69 N ATOM 2795 CA VAL A 213 41.175 15.828 48.571 1.00 11.50 C ATOM 2796 C VAL A 213 40.490 17.197 48.699 1.00 10.34 C ATOM 2797 O VAL A 213 40.310 17.905 47.722 1.00 10.03 O ATOM 2798 CB VAL A 213 42.585 15.969 47.945 1.00 10.87 C ATOM 2799 CG1 VAL A 213 43.487 16.711 48.922 1.00 11.04 C ATOM 2800 CG2 VAL A 213 43.197 14.605 47.660 1.00 10.69 C ATOM 0 H VAL A 213 40.663 14.785 46.915 1.00 10.69 H new ATOM 0 HA VAL A 213 41.290 15.408 49.438 1.00 11.50 H new ATOM 0 HB VAL A 213 42.503 16.455 47.110 1.00 10.87 H new ATOM 0 HG11 VAL A 213 44.373 16.804 48.538 1.00 11.04 H new ATOM 0 HG12 VAL A 213 43.118 17.590 49.099 1.00 11.04 H new ATOM 0 HG13 VAL A 213 43.545 16.212 49.752 1.00 11.04 H new ATOM 0 HG21 VAL A 213 44.077 14.720 47.269 1.00 10.69 H new ATOM 0 HG22 VAL A 213 43.274 14.105 48.488 1.00 10.69 H new ATOM 0 HG23 VAL A 213 42.630 14.119 47.041 1.00 10.69 H new ATOM 2810 N SER A 214 40.134 17.544 49.907 1.00 11.98 N ATOM 2811 CA SER A 214 39.439 18.848 50.147 1.00 12.28 C ATOM 2812 C SER A 214 40.213 19.851 50.998 1.00 13.32 C ATOM 2813 O SER A 214 40.606 20.892 50.494 1.00 13.71 O ATOM 2814 CB SER A 214 38.045 18.441 50.771 1.00 10.83 C ATOM 2815 OG SER A 214 37.229 19.591 50.861 1.00 10.14 O ATOM 0 H SER A 214 40.269 17.069 50.611 1.00 11.98 H new ATOM 0 HA SER A 214 39.345 19.342 49.317 1.00 12.28 H new ATOM 0 HB2 SER A 214 37.615 17.767 50.221 1.00 10.83 H new ATOM 0 HB3 SER A 214 38.172 18.051 51.650 1.00 10.83 H new ATOM 0 HG SER A 214 37.152 19.941 50.101 1.00 10.14 H new ATOM 2821 N TRP A 215 40.411 19.552 52.251 1.00 13.68 N ATOM 2822 CA TRP A 215 41.160 20.515 53.120 1.00 12.83 C ATOM 2823 C TRP A 215 41.867 19.821 54.253 1.00 16.95 C ATOM 2824 O TRP A 215 41.796 18.617 54.356 1.00 16.02 O ATOM 2825 CB TRP A 215 40.194 21.556 53.681 1.00 14.20 C ATOM 2826 CG TRP A 215 38.945 21.081 54.473 1.00 14.91 C ATOM 2827 CD1 TRP A 215 37.773 20.605 53.942 1.00 15.47 C ATOM 2828 CD2 TRP A 215 38.830 21.079 55.819 1.00 16.18 C ATOM 2829 NE1 TRP A 215 37.023 20.346 55.001 1.00 15.04 N ATOM 2830 CE2 TRP A 215 37.565 20.592 56.175 1.00 16.46 C ATOM 2831 CE3 TRP A 215 39.715 21.466 56.831 1.00 18.97 C ATOM 2832 CZ2 TRP A 215 37.177 20.488 57.517 1.00 18.01 C ATOM 2833 CZ3 TRP A 215 39.326 21.357 58.197 1.00 20.30 C ATOM 2834 CH2 TRP A 215 38.057 20.870 58.537 1.00 18.57 C ATOM 0 H TRP A 215 40.144 18.832 52.638 1.00 13.68 H new ATOM 0 HA TRP A 215 41.834 20.945 52.571 1.00 12.83 H new ATOM 0 HB2 TRP A 215 40.702 22.143 54.262 1.00 14.20 H new ATOM 0 HB3 TRP A 215 39.881 22.095 52.937 1.00 14.20 H new ATOM 0 HD1 TRP A 215 37.556 20.491 53.045 1.00 15.47 H new ATOM 0 HE1 TRP A 215 36.225 20.034 54.926 1.00 15.04 H new ATOM 0 HE3 TRP A 215 40.557 21.794 56.612 1.00 18.97 H new ATOM 0 HZ2 TRP A 215 36.332 20.164 57.731 1.00 18.01 H new ATOM 0 HZ3 TRP A 215 39.918 21.611 58.868 1.00 20.30 H new ATOM 0 HH2 TRP A 215 37.802 20.801 59.429 1.00 18.57 H new ATOM 2845 N GLY A 216 42.531 20.571 55.074 1.00 18.91 N ATOM 2846 CA GLY A 216 43.254 19.960 56.222 1.00 21.10 C ATOM 2847 C GLY A 216 43.858 21.128 56.999 1.00 24.41 C ATOM 2848 O GLY A 216 43.538 22.267 56.689 1.00 25.25 O ATOM 0 H GLY A 216 42.595 21.427 55.014 1.00 18.91 H new ATOM 0 HA2 GLY A 216 42.650 19.445 56.780 1.00 21.10 H new ATOM 0 HA3 GLY A 216 43.944 19.352 55.915 1.00 21.10 H new ATOM 2852 N SER A 217 44.687 20.883 57.971 1.00 26.27 N ATOM 2853 CA SER A 217 45.303 22.024 58.749 1.00 30.24 C ATOM 2854 C SER A 217 46.787 21.838 58.432 1.00 31.25 C ATOM 2855 O SER A 217 47.397 20.890 58.922 1.00 31.82 O ATOM 2856 CB SER A 217 45.054 21.854 60.233 1.00 31.18 C ATOM 2857 OG SER A 217 45.601 23.051 60.769 1.00 33.20 O ATOM 0 H SER A 217 44.928 20.097 58.223 1.00 26.27 H new ATOM 0 HA SER A 217 44.950 22.898 58.521 1.00 30.24 H new ATOM 0 HB2 SER A 217 44.109 21.766 60.434 1.00 31.18 H new ATOM 0 HB3 SER A 217 45.494 21.065 60.586 1.00 31.18 H new ATOM 0 HG SER A 217 45.508 23.052 61.604 1.00 33.20 H new ATOM 2863 N GLY A 219 47.316 22.735 57.629 1.00 32.83 N ATOM 2864 CA GLY A 219 48.770 22.637 57.234 1.00 34.06 C ATOM 2865 C GLY A 219 48.920 21.218 56.661 1.00 34.68 C ATOM 2866 O GLY A 219 47.927 20.651 56.215 1.00 34.84 O ATOM 0 H GLY A 219 46.891 23.403 57.293 1.00 32.83 H new ATOM 0 HA2 GLY A 219 49.003 23.310 56.576 1.00 34.06 H new ATOM 0 HA3 GLY A 219 49.353 22.773 57.997 1.00 34.06 H new ATOM 2870 N CYS A 220 50.089 20.651 56.651 1.00 33.16 N ATOM 2871 CA CYS A 220 50.165 19.272 56.091 1.00 34.66 C ATOM 2872 C CYS A 220 50.957 18.434 57.036 1.00 35.13 C ATOM 2873 O CYS A 220 51.871 18.947 57.656 1.00 37.80 O ATOM 2874 CB CYS A 220 50.861 19.278 54.706 1.00 35.03 C ATOM 2875 SG CYS A 220 50.125 20.428 53.530 1.00 34.59 S ATOM 0 H CYS A 220 50.825 20.993 56.936 1.00 33.16 H new ATOM 0 HA CYS A 220 49.269 18.918 55.979 1.00 34.66 H new ATOM 0 HB2 CYS A 220 51.797 19.504 54.824 1.00 35.03 H new ATOM 0 HB3 CYS A 220 50.830 18.383 54.333 1.00 35.03 H new ATOM 2880 N ALA A 221A 50.560 17.190 57.063 1.00 35.74 N ATOM 2881 CA ALA A 221A 51.147 16.082 57.896 1.00 33.77 C ATOM 2882 C ALA A 221A 51.407 16.431 59.366 1.00 33.42 C ATOM 2883 O ALA A 221A 52.291 15.848 59.965 1.00 29.29 O ATOM 2884 CB ALA A 221A 52.479 15.631 57.205 1.00 32.77 C ATOM 0 H ALA A 221A 49.903 16.918 56.579 1.00 35.74 H new ATOM 0 HA ALA A 221A 50.486 15.373 57.933 1.00 33.77 H new ATOM 0 HB1 ALA A 221A 52.884 14.915 57.719 1.00 32.77 H new ATOM 0 HB2 ALA A 221A 52.288 15.316 56.308 1.00 32.77 H new ATOM 0 HB3 ALA A 221A 53.091 16.382 57.160 1.00 32.77 H new ATOM 2890 N GLN A 221 50.638 17.335 59.896 1.00 34.59 N ATOM 2891 CA GLN A 221 50.844 17.719 61.319 1.00 35.95 C ATOM 2892 C GLN A 221 50.210 16.628 62.178 1.00 36.50 C ATOM 2893 O GLN A 221 49.339 15.889 61.740 1.00 37.68 O ATOM 2894 CB GLN A 221 50.148 19.088 61.654 1.00 36.31 C ATOM 2895 CG GLN A 221 50.808 20.276 60.947 1.00 37.69 C ATOM 2896 CD GLN A 221 52.232 20.439 61.463 0.25 36.72 C ATOM 2897 OE1 GLN A 221 52.449 20.783 62.610 0.25 37.10 O ATOM 2898 NE2 GLN A 221 53.226 20.199 60.664 0.25 36.26 N ATOM 0 H GLN A 221 50.001 17.745 59.489 1.00 34.59 H new ATOM 0 HA GLN A 221 51.794 17.816 61.491 1.00 35.95 H new ATOM 0 HB2 GLN A 221 49.214 19.043 61.398 1.00 36.31 H new ATOM 0 HB3 GLN A 221 50.173 19.233 62.613 1.00 36.31 H new ATOM 0 HG2 GLN A 221 50.815 20.132 59.988 1.00 37.69 H new ATOM 0 HG3 GLN A 221 50.299 21.086 61.109 1.00 37.69 H new ATOM 0 HE21 GLN A 221 53.077 19.956 59.853 0.25 36.26 H new ATOM 0 HE22 GLN A 221 54.034 20.283 60.946 0.25 36.26 H new ATOM 2907 N LYS A 222 50.690 16.605 63.388 1.00 34.59 N ATOM 2908 CA LYS A 222 50.219 15.628 64.379 1.00 34.18 C ATOM 2909 C LYS A 222 48.826 16.133 64.769 1.00 34.05 C ATOM 2910 O LYS A 222 48.619 17.305 65.021 1.00 33.04 O ATOM 2911 CB LYS A 222 51.212 15.661 65.528 0.61 34.68 C ATOM 2912 CG LYS A 222 50.833 14.730 66.673 0.61 35.99 C ATOM 2913 CD LYS A 222 51.888 14.988 67.778 0.61 38.32 C ATOM 2914 CE LYS A 222 51.588 14.190 69.063 0.61 41.01 C ATOM 2915 NZ LYS A 222 52.622 14.519 70.097 0.61 41.70 N ATOM 0 H LYS A 222 51.295 17.143 63.677 1.00 34.59 H new ATOM 0 HA LYS A 222 50.160 14.709 64.075 1.00 34.18 H new ATOM 0 HB2 LYS A 222 52.090 15.416 65.196 0.61 34.68 H new ATOM 0 HB3 LYS A 222 51.279 16.568 65.865 0.61 34.68 H new ATOM 0 HG2 LYS A 222 49.937 14.917 66.994 0.61 35.99 H new ATOM 0 HG3 LYS A 222 50.844 13.803 66.388 0.61 35.99 H new ATOM 0 HD2 LYS A 222 52.767 14.747 67.447 0.61 38.32 H new ATOM 0 HD3 LYS A 222 51.913 15.935 67.985 0.61 38.32 H new ATOM 0 HE2 LYS A 222 50.703 14.409 69.394 0.61 41.01 H new ATOM 0 HE3 LYS A 222 51.594 13.238 68.875 0.61 41.01 H new ATOM 0 HZ1 LYS A 222 52.454 14.061 70.841 0.61 41.70 H new ATOM 0 HZ2 LYS A 222 53.429 14.301 69.791 0.61 41.70 H new ATOM 0 HZ3 LYS A 222 52.598 15.391 70.274 0.61 41.70 H new ATOM 2929 N ASN A 223 47.937 15.185 64.792 1.00 36.14 N ATOM 2930 CA ASN A 223 46.483 15.308 65.130 1.00 36.69 C ATOM 2931 C ASN A 223 45.698 16.182 64.204 1.00 34.51 C ATOM 2932 O ASN A 223 44.631 16.624 64.582 1.00 34.05 O ATOM 2933 CB ASN A 223 46.296 15.842 66.575 1.00 39.95 C ATOM 2934 CG ASN A 223 46.696 14.712 67.539 1.00 43.37 C ATOM 2935 OD1 ASN A 223 46.063 13.671 67.574 1.00 45.21 O ATOM 2936 ND2 ASN A 223 47.726 14.864 68.328 1.00 44.64 N ATOM 0 H ASN A 223 48.150 14.374 64.600 1.00 36.14 H new ATOM 0 HA ASN A 223 46.136 14.407 65.038 1.00 36.69 H new ATOM 0 HB2 ASN A 223 46.846 16.627 66.723 1.00 39.95 H new ATOM 0 HB3 ASN A 223 45.375 16.108 66.724 1.00 39.95 H new ATOM 0 HD21 ASN A 223 47.952 14.233 68.866 1.00 44.64 H new ATOM 0 HD22 ASN A 223 48.178 15.596 68.309 1.00 44.64 H new ATOM 2943 N LYS A 224 46.244 16.396 63.030 1.00 33.29 N ATOM 2944 CA LYS A 224 45.587 17.236 61.968 1.00 30.85 C ATOM 2945 C LYS A 224 45.604 16.382 60.642 1.00 26.69 C ATOM 2946 O LYS A 224 46.406 16.655 59.754 1.00 26.37 O ATOM 2947 CB LYS A 224 46.377 18.572 61.781 1.00 31.16 C ATOM 2948 CG LYS A 224 46.076 19.582 62.953 0.73 32.49 C ATOM 2949 CD LYS A 224 44.575 20.057 62.932 0.73 33.62 C ATOM 2950 CE LYS A 224 44.285 21.009 64.104 0.73 36.84 C ATOM 2951 NZ LYS A 224 43.817 20.209 65.283 0.73 37.02 N ATOM 0 H LYS A 224 47.006 16.072 62.796 1.00 33.29 H new ATOM 0 HA LYS A 224 44.678 17.470 62.211 1.00 30.85 H new ATOM 0 HB2 LYS A 224 47.328 18.386 61.748 1.00 31.16 H new ATOM 0 HB3 LYS A 224 46.137 18.976 60.933 1.00 31.16 H new ATOM 0 HG2 LYS A 224 46.271 19.160 63.804 0.73 32.49 H new ATOM 0 HG3 LYS A 224 46.662 20.352 62.877 0.73 32.49 H new ATOM 0 HD2 LYS A 224 44.385 20.504 62.092 0.73 33.62 H new ATOM 0 HD3 LYS A 224 43.987 19.287 62.983 0.73 33.62 H new ATOM 0 HE2 LYS A 224 45.084 21.509 64.335 0.73 36.84 H new ATOM 0 HE3 LYS A 224 43.609 21.657 63.850 0.73 36.84 H new ATOM 0 HZ1 LYS A 224 43.937 20.680 66.028 0.73 37.02 H new ATOM 0 HZ2 LYS A 224 42.953 20.019 65.189 0.73 37.02 H new ATOM 0 HZ3 LYS A 224 44.283 19.452 65.333 0.73 37.02 H new ATOM 2965 N PRO A 225 44.748 15.370 60.562 1.00 22.45 N ATOM 2966 CA PRO A 225 44.609 14.553 59.326 1.00 20.50 C ATOM 2967 C PRO A 225 43.926 15.377 58.202 1.00 18.02 C ATOM 2968 O PRO A 225 43.324 16.411 58.405 1.00 17.72 O ATOM 2969 CB PRO A 225 43.779 13.311 59.755 1.00 18.97 C ATOM 2970 CG PRO A 225 42.881 13.891 60.893 1.00 21.54 C ATOM 2971 CD PRO A 225 43.811 14.894 61.641 1.00 21.31 C ATOM 0 HA PRO A 225 45.463 14.281 58.955 1.00 20.50 H new ATOM 0 HB2 PRO A 225 43.251 12.957 59.022 1.00 18.97 H new ATOM 0 HB3 PRO A 225 44.344 12.589 60.072 1.00 18.97 H new ATOM 0 HG2 PRO A 225 42.097 14.335 60.534 1.00 21.54 H new ATOM 0 HG3 PRO A 225 42.564 13.192 61.486 1.00 21.54 H new ATOM 0 HD2 PRO A 225 43.308 15.628 62.028 1.00 21.31 H new ATOM 0 HD3 PRO A 225 44.290 14.465 62.367 1.00 21.31 H new ATOM 2979 N GLY A 226 44.023 14.865 57.023 1.00 16.01 N ATOM 2980 CA GLY A 226 43.399 15.605 55.903 1.00 15.95 C ATOM 2981 C GLY A 226 41.926 15.249 55.919 1.00 11.77 C ATOM 2982 O GLY A 226 41.582 14.198 56.427 1.00 13.07 O ATOM 0 H GLY A 226 44.419 14.128 56.821 1.00 16.01 H new ATOM 0 HA2 GLY A 226 43.524 16.561 56.009 1.00 15.95 H new ATOM 0 HA3 GLY A 226 43.805 15.358 55.057 1.00 15.95 H new ATOM 2986 N VAL A 227 41.135 16.114 55.366 1.00 11.12 N ATOM 2987 CA VAL A 227 39.659 15.968 55.278 1.00 12.21 C ATOM 2988 C VAL A 227 39.332 15.809 53.796 1.00 9.73 C ATOM 2989 O VAL A 227 39.841 16.542 52.971 1.00 11.34 O ATOM 2990 CB VAL A 227 39.036 17.248 55.911 1.00 12.76 C ATOM 2991 CG1 VAL A 227 37.530 17.077 55.958 1.00 12.10 C ATOM 2992 CG2 VAL A 227 39.580 17.396 57.363 1.00 12.88 C ATOM 0 H VAL A 227 41.423 16.841 55.009 1.00 11.12 H new ATOM 0 HA VAL A 227 39.303 15.201 55.753 1.00 12.21 H new ATOM 0 HB VAL A 227 39.264 18.034 55.390 1.00 12.76 H new ATOM 0 HG11 VAL A 227 37.127 17.867 56.350 1.00 12.10 H new ATOM 0 HG12 VAL A 227 37.190 16.954 55.058 1.00 12.10 H new ATOM 0 HG13 VAL A 227 37.309 16.301 56.496 1.00 12.10 H new ATOM 0 HG21 VAL A 227 39.201 18.190 57.772 1.00 12.88 H new ATOM 0 HG22 VAL A 227 39.332 16.615 57.883 1.00 12.88 H new ATOM 0 HG23 VAL A 227 40.547 17.475 57.340 1.00 12.88 H new ATOM 3002 N TYR A 228 38.480 14.862 53.541 1.00 10.98 N ATOM 3003 CA TYR A 228 38.019 14.485 52.192 1.00 10.17 C ATOM 3004 C TYR A 228 36.502 14.567 51.993 1.00 10.33 C ATOM 3005 O TYR A 228 35.753 14.333 52.927 1.00 11.78 O ATOM 3006 CB TYR A 228 38.536 13.020 51.964 1.00 9.36 C ATOM 3007 CG TYR A 228 40.070 12.964 52.205 1.00 10.55 C ATOM 3008 CD1 TYR A 228 40.911 13.232 51.137 1.00 11.64 C ATOM 3009 CD2 TYR A 228 40.660 12.720 53.473 1.00 11.19 C ATOM 3010 CE1 TYR A 228 42.271 13.267 51.313 1.00 12.37 C ATOM 3011 CE2 TYR A 228 42.040 12.758 53.644 1.00 11.48 C ATOM 3012 CZ TYR A 228 42.851 13.037 52.552 1.00 12.03 C ATOM 3013 OH TYR A 228 44.223 13.127 52.624 1.00 13.38 O ATOM 0 H TYR A 228 38.124 14.385 54.162 1.00 10.98 H new ATOM 0 HA TYR A 228 38.371 15.116 51.545 1.00 10.17 H new ATOM 0 HB2 TYR A 228 38.082 12.410 52.566 1.00 9.36 H new ATOM 0 HB3 TYR A 228 38.331 12.732 51.061 1.00 9.36 H new ATOM 0 HD1 TYR A 228 40.551 13.389 50.294 1.00 11.64 H new ATOM 0 HD2 TYR A 228 40.114 12.531 54.202 1.00 11.19 H new ATOM 0 HE1 TYR A 228 42.818 13.450 50.583 1.00 12.37 H new ATOM 0 HE2 TYR A 228 42.415 12.598 54.480 1.00 11.48 H new ATOM 0 HH TYR A 228 44.557 12.909 51.885 1.00 13.38 H new ATOM 3023 N THR A 229 36.091 14.895 50.796 1.00 9.74 N ATOM 3024 CA THR A 229 34.633 14.976 50.461 1.00 10.41 C ATOM 3025 C THR A 229 34.238 13.464 50.379 1.00 9.73 C ATOM 3026 O THR A 229 34.900 12.658 49.753 1.00 9.68 O ATOM 3027 CB THR A 229 34.442 15.600 49.102 1.00 11.11 C ATOM 3028 OG1 THR A 229 35.041 16.891 49.149 1.00 13.66 O ATOM 3029 CG2 THR A 229 32.953 15.757 48.791 1.00 11.65 C ATOM 0 H THR A 229 36.617 15.080 50.141 1.00 9.74 H new ATOM 0 HA THR A 229 34.118 15.501 51.094 1.00 10.41 H new ATOM 0 HB THR A 229 34.842 15.042 48.417 1.00 11.11 H new ATOM 0 HG1 THR A 229 34.810 17.332 48.473 1.00 13.66 H new ATOM 0 HG21 THR A 229 32.846 16.159 47.915 1.00 11.65 H new ATOM 0 HG22 THR A 229 32.527 14.886 48.801 1.00 11.65 H new ATOM 0 HG23 THR A 229 32.541 16.326 49.460 1.00 11.65 H new ATOM 3037 N LYS A 230 33.159 13.122 50.995 1.00 9.23 N ATOM 3038 CA LYS A 230 32.642 11.714 51.053 1.00 10.89 C ATOM 3039 C LYS A 230 31.758 11.433 49.817 1.00 10.48 C ATOM 3040 O LYS A 230 30.553 11.607 49.821 1.00 11.29 O ATOM 3041 CB LYS A 230 31.892 11.644 52.404 1.00 11.95 C ATOM 3042 CG LYS A 230 31.609 10.239 52.831 1.00 14.03 C ATOM 3043 CD LYS A 230 30.995 10.303 54.246 1.00 19.13 C ATOM 3044 CE LYS A 230 30.719 8.911 54.743 1.00 22.33 C ATOM 3045 NZ LYS A 230 29.988 9.016 56.017 1.00 24.57 N ATOM 0 H LYS A 230 32.663 13.685 51.415 1.00 9.23 H new ATOM 0 HA LYS A 230 33.328 11.029 51.019 1.00 10.89 H new ATOM 0 HB2 LYS A 230 32.420 12.086 53.087 1.00 11.95 H new ATOM 0 HB3 LYS A 230 31.056 12.131 52.332 1.00 11.95 H new ATOM 0 HG2 LYS A 230 30.997 9.810 52.212 1.00 14.03 H new ATOM 0 HG3 LYS A 230 32.424 9.712 52.835 1.00 14.03 H new ATOM 0 HD2 LYS A 230 31.602 10.757 54.851 1.00 19.13 H new ATOM 0 HD3 LYS A 230 30.173 10.818 54.228 1.00 19.13 H new ATOM 0 HE2 LYS A 230 30.196 8.417 54.092 1.00 22.33 H new ATOM 0 HE3 LYS A 230 31.549 8.425 54.868 1.00 22.33 H new ATOM 0 HZ1 LYS A 230 29.726 8.206 56.277 1.00 24.57 H new ATOM 0 HZ2 LYS A 230 30.521 9.368 56.637 1.00 24.57 H new ATOM 0 HZ3 LYS A 230 29.275 9.537 55.908 1.00 24.57 H new ATOM 3059 N VAL A 231 32.423 11.012 48.785 1.00 11.45 N ATOM 3060 CA VAL A 231 31.755 10.696 47.481 1.00 10.99 C ATOM 3061 C VAL A 231 30.529 9.768 47.527 1.00 10.46 C ATOM 3062 O VAL A 231 29.623 9.968 46.717 1.00 10.02 O ATOM 3063 CB VAL A 231 32.836 10.093 46.492 1.00 11.47 C ATOM 3064 CG1 VAL A 231 32.195 9.806 45.096 1.00 12.89 C ATOM 3065 CG2 VAL A 231 33.957 11.137 46.259 1.00 11.75 C ATOM 0 H VAL A 231 33.274 10.890 48.783 1.00 11.45 H new ATOM 0 HA VAL A 231 31.392 11.543 47.179 1.00 10.99 H new ATOM 0 HB VAL A 231 33.182 9.277 46.885 1.00 11.47 H new ATOM 0 HG11 VAL A 231 32.867 9.438 44.501 1.00 12.89 H new ATOM 0 HG12 VAL A 231 31.470 9.170 45.197 1.00 12.89 H new ATOM 0 HG13 VAL A 231 31.850 10.632 44.722 1.00 12.89 H new ATOM 0 HG21 VAL A 231 34.620 10.770 45.654 1.00 11.75 H new ATOM 0 HG22 VAL A 231 33.576 11.941 45.872 1.00 11.75 H new ATOM 0 HG23 VAL A 231 34.378 11.355 47.105 1.00 11.75 H new ATOM 3075 N CYS A 232 30.493 8.806 48.424 1.00 10.25 N ATOM 3076 CA CYS A 232 29.313 7.892 48.475 1.00 10.61 C ATOM 3077 C CYS A 232 27.990 8.646 48.689 1.00 10.67 C ATOM 3078 O CYS A 232 26.946 8.130 48.357 1.00 13.69 O ATOM 3079 CB CYS A 232 29.587 6.846 49.580 1.00 11.79 C ATOM 3080 SG CYS A 232 29.796 7.439 51.268 1.00 13.40 S ATOM 0 H CYS A 232 31.108 8.649 49.005 1.00 10.25 H new ATOM 0 HA CYS A 232 29.201 7.448 47.620 1.00 10.61 H new ATOM 0 HB2 CYS A 232 28.854 6.210 49.576 1.00 11.79 H new ATOM 0 HB3 CYS A 232 30.388 6.357 49.335 1.00 11.79 H new ATOM 3085 N ASN A 233 28.074 9.827 49.227 1.00 10.30 N ATOM 3086 CA ASN A 233 26.867 10.676 49.473 1.00 12.30 C ATOM 3087 C ASN A 233 26.383 11.428 48.202 1.00 11.02 C ATOM 3088 O ASN A 233 25.270 11.921 48.200 1.00 14.19 O ATOM 3089 CB ASN A 233 27.146 11.775 50.493 1.00 12.77 C ATOM 3090 CG ASN A 233 27.233 11.251 51.915 1.00 14.39 C ATOM 3091 OD1 ASN A 233 27.052 10.086 52.183 1.00 14.96 O ATOM 3092 ND2 ASN A 233 27.502 12.082 52.874 1.00 16.93 N ATOM 0 H ASN A 233 28.815 10.189 49.471 1.00 10.30 H new ATOM 0 HA ASN A 233 26.197 10.047 49.783 1.00 12.30 H new ATOM 0 HB2 ASN A 233 27.978 12.218 50.265 1.00 12.77 H new ATOM 0 HB3 ASN A 233 26.445 12.443 50.442 1.00 12.77 H new ATOM 0 HD21 ASN A 233 27.549 11.801 53.686 1.00 16.93 H new ATOM 0 HD22 ASN A 233 27.633 12.914 52.698 1.00 16.93 H new ATOM 3099 N TYR A 234 27.191 11.500 47.176 1.00 10.72 N ATOM 3100 CA TYR A 234 26.834 12.229 45.910 1.00 11.43 C ATOM 3101 C TYR A 234 26.658 11.354 44.668 1.00 14.34 C ATOM 3102 O TYR A 234 26.548 11.904 43.587 1.00 12.24 O ATOM 3103 CB TYR A 234 27.942 13.235 45.570 1.00 10.62 C ATOM 3104 CG TYR A 234 28.250 14.148 46.753 1.00 11.16 C ATOM 3105 CD1 TYR A 234 27.534 15.302 46.877 1.00 13.68 C ATOM 3106 CD2 TYR A 234 29.212 13.849 47.718 1.00 10.70 C ATOM 3107 CE1 TYR A 234 27.756 16.149 47.934 1.00 14.12 C ATOM 3108 CE2 TYR A 234 29.432 14.698 48.779 1.00 10.94 C ATOM 3109 CZ TYR A 234 28.702 15.862 48.898 1.00 11.95 C ATOM 3110 OH TYR A 234 28.883 16.750 49.934 1.00 12.61 O ATOM 0 H TYR A 234 27.971 11.138 47.161 1.00 10.72 H new ATOM 0 HA TYR A 234 25.976 12.637 46.105 1.00 11.43 H new ATOM 0 HB2 TYR A 234 28.746 12.758 45.310 1.00 10.62 H new ATOM 0 HB3 TYR A 234 27.672 13.771 44.808 1.00 10.62 H new ATOM 0 HD1 TYR A 234 26.891 15.517 46.241 1.00 13.68 H new ATOM 0 HD2 TYR A 234 29.710 13.067 47.644 1.00 10.70 H new ATOM 0 HE1 TYR A 234 27.259 16.932 48.002 1.00 14.12 H new ATOM 0 HE2 TYR A 234 30.074 14.486 49.417 1.00 10.94 H new ATOM 0 HH TYR A 234 28.288 17.342 49.903 1.00 12.61 H new ATOM 3120 N VAL A 235 26.616 10.066 44.809 1.00 13.50 N ATOM 3121 CA VAL A 235 26.468 9.188 43.609 1.00 13.91 C ATOM 3122 C VAL A 235 25.201 9.497 42.784 1.00 15.14 C ATOM 3123 O VAL A 235 25.276 9.583 41.562 1.00 12.68 O ATOM 3124 CB VAL A 235 26.514 7.697 44.108 1.00 14.74 C ATOM 3125 CG1 VAL A 235 26.314 6.747 42.896 1.00 15.91 C ATOM 3126 CG2 VAL A 235 27.922 7.413 44.698 1.00 16.19 C ATOM 0 H VAL A 235 26.668 9.652 45.561 1.00 13.50 H new ATOM 0 HA VAL A 235 27.197 9.357 42.992 1.00 13.91 H new ATOM 0 HB VAL A 235 25.821 7.555 44.772 1.00 14.74 H new ATOM 0 HG11 VAL A 235 26.342 5.826 43.199 1.00 15.91 H new ATOM 0 HG12 VAL A 235 25.455 6.926 42.483 1.00 15.91 H new ATOM 0 HG13 VAL A 235 27.021 6.895 42.248 1.00 15.91 H new ATOM 0 HG21 VAL A 235 27.963 6.495 45.010 1.00 16.19 H new ATOM 0 HG22 VAL A 235 28.594 7.552 44.013 1.00 16.19 H new ATOM 0 HG23 VAL A 235 28.089 8.014 45.441 1.00 16.19 H new ATOM 3136 N SER A 236 24.090 9.663 43.437 1.00 11.66 N ATOM 3137 CA SER A 236 22.863 9.957 42.668 1.00 13.57 C ATOM 3138 C SER A 236 22.994 11.313 41.980 1.00 12.72 C ATOM 3139 O SER A 236 22.574 11.448 40.853 1.00 12.67 O ATOM 3140 CB SER A 236 21.618 9.966 43.629 1.00 11.28 C ATOM 3141 OG SER A 236 21.897 8.910 44.551 1.00 12.88 O ATOM 0 H SER A 236 23.998 9.617 44.291 1.00 11.66 H new ATOM 0 HA SER A 236 22.740 9.269 41.995 1.00 13.57 H new ATOM 0 HB2 SER A 236 21.523 10.819 44.081 1.00 11.28 H new ATOM 0 HB3 SER A 236 20.792 9.808 43.145 1.00 11.28 H new ATOM 0 HG SER A 236 22.135 9.236 45.288 1.00 12.88 H new ATOM 3147 N TRP A 237 23.563 12.266 42.671 1.00 12.51 N ATOM 3148 CA TRP A 237 23.726 13.625 42.058 1.00 11.47 C ATOM 3149 C TRP A 237 24.667 13.484 40.855 1.00 9.55 C ATOM 3150 O TRP A 237 24.366 14.007 39.808 1.00 11.54 O ATOM 3151 CB TRP A 237 24.345 14.675 43.096 1.00 10.18 C ATOM 3152 CG TRP A 237 24.637 16.033 42.382 1.00 9.46 C ATOM 3153 CD1 TRP A 237 23.699 16.922 41.936 1.00 11.18 C ATOM 3154 CD2 TRP A 237 25.862 16.525 42.060 1.00 11.18 C ATOM 3155 NE1 TRP A 237 24.421 17.883 41.381 1.00 10.73 N ATOM 3156 CE2 TRP A 237 25.735 17.737 41.400 1.00 9.60 C ATOM 3157 CE3 TRP A 237 27.151 16.020 42.277 1.00 12.69 C ATOM 3158 CZ2 TRP A 237 26.876 18.409 40.972 1.00 13.13 C ATOM 3159 CZ3 TRP A 237 28.299 16.700 41.843 1.00 12.63 C ATOM 3160 CH2 TRP A 237 28.156 17.899 41.189 1.00 11.63 C ATOM 0 H TRP A 237 23.863 12.184 43.473 1.00 12.51 H new ATOM 0 HA TRP A 237 22.855 13.959 41.792 1.00 11.47 H new ATOM 0 HB2 TRP A 237 23.728 14.815 43.831 1.00 10.18 H new ATOM 0 HB3 TRP A 237 25.163 14.320 43.476 1.00 10.18 H new ATOM 0 HD1 TRP A 237 22.773 16.865 42.006 1.00 11.18 H new ATOM 0 HE1 TRP A 237 24.051 18.572 41.024 1.00 10.73 H new ATOM 0 HE3 TRP A 237 27.249 15.209 42.722 1.00 12.69 H new ATOM 0 HZ2 TRP A 237 26.782 19.221 40.529 1.00 13.13 H new ATOM 0 HZ3 TRP A 237 29.144 16.344 41.996 1.00 12.63 H new ATOM 0 HH2 TRP A 237 28.904 18.366 40.894 1.00 11.63 H new ATOM 3171 N ILE A 238 25.760 12.796 41.017 1.00 10.43 N ATOM 3172 CA ILE A 238 26.705 12.637 39.891 1.00 11.66 C ATOM 3173 C ILE A 238 26.005 11.946 38.696 1.00 15.14 C ATOM 3174 O ILE A 238 25.975 12.448 37.576 1.00 16.15 O ATOM 3175 CB ILE A 238 27.925 11.782 40.348 1.00 11.86 C ATOM 3176 CG1 ILE A 238 28.742 12.611 41.322 1.00 11.13 C ATOM 3177 CG2 ILE A 238 28.801 11.373 39.129 1.00 11.64 C ATOM 3178 CD1 ILE A 238 29.859 11.779 41.947 1.00 14.57 C ATOM 0 H ILE A 238 25.993 12.409 41.749 1.00 10.43 H new ATOM 0 HA ILE A 238 27.010 13.514 39.612 1.00 11.66 H new ATOM 0 HB ILE A 238 27.613 10.968 40.774 1.00 11.86 H new ATOM 0 HG12 ILE A 238 29.123 13.375 40.861 1.00 11.13 H new ATOM 0 HG13 ILE A 238 28.164 12.959 42.019 1.00 11.13 H new ATOM 0 HG21 ILE A 238 29.553 10.843 39.434 1.00 11.64 H new ATOM 0 HG22 ILE A 238 28.269 10.851 38.508 1.00 11.64 H new ATOM 0 HG23 ILE A 238 29.128 12.170 38.683 1.00 11.64 H new ATOM 0 HD11 ILE A 238 30.366 12.329 42.564 1.00 14.57 H new ATOM 0 HD12 ILE A 238 29.474 11.028 42.425 1.00 14.57 H new ATOM 0 HD13 ILE A 238 30.447 11.451 41.249 1.00 14.57 H new ATOM 3190 N LYS A 239 25.453 10.804 38.964 1.00 13.92 N ATOM 3191 CA LYS A 239 24.776 10.084 37.865 1.00 15.26 C ATOM 3192 C LYS A 239 23.696 10.896 37.137 1.00 17.19 C ATOM 3193 O LYS A 239 23.629 10.888 35.917 1.00 17.20 O ATOM 3194 CB LYS A 239 24.202 8.819 38.470 1.00 17.36 C ATOM 3195 CG LYS A 239 25.389 7.898 38.774 1.00 21.42 C ATOM 3196 CD LYS A 239 24.837 6.498 39.088 1.00 26.44 C ATOM 3197 CE LYS A 239 26.000 5.471 39.032 1.00 32.26 C ATOM 3198 NZ LYS A 239 25.456 4.074 39.155 1.00 36.85 N ATOM 0 H LYS A 239 25.442 10.418 39.733 1.00 13.92 H new ATOM 0 HA LYS A 239 25.425 9.895 37.170 1.00 15.26 H new ATOM 0 HB2 LYS A 239 23.705 9.019 39.279 1.00 17.36 H new ATOM 0 HB3 LYS A 239 23.584 8.393 37.855 1.00 17.36 H new ATOM 0 HG2 LYS A 239 25.993 7.862 38.016 1.00 21.42 H new ATOM 0 HG3 LYS A 239 25.898 8.238 39.526 1.00 21.42 H new ATOM 0 HD2 LYS A 239 24.425 6.490 39.966 1.00 26.44 H new ATOM 0 HD3 LYS A 239 24.148 6.259 38.449 1.00 26.44 H new ATOM 0 HE2 LYS A 239 26.485 5.565 38.197 1.00 32.26 H new ATOM 0 HE3 LYS A 239 26.631 5.645 39.748 1.00 32.26 H new ATOM 0 HZ1 LYS A 239 26.127 3.490 39.122 1.00 36.85 H new ATOM 0 HZ2 LYS A 239 25.027 3.989 39.930 1.00 36.85 H new ATOM 0 HZ3 LYS A 239 24.892 3.915 38.485 1.00 36.85 H new ATOM 3212 N GLN A 240 22.890 11.578 37.895 1.00 14.69 N ATOM 3213 CA GLN A 240 21.806 12.379 37.295 1.00 15.16 C ATOM 3214 C GLN A 240 22.340 13.568 36.552 1.00 13.95 C ATOM 3215 O GLN A 240 21.821 13.876 35.490 1.00 13.28 O ATOM 3216 CB GLN A 240 20.804 12.814 38.464 1.00 16.15 C ATOM 3217 CG GLN A 240 19.580 13.594 37.970 0.01 15.60 C ATOM 3218 CD GLN A 240 18.492 13.407 39.032 0.01 16.09 C ATOM 3219 OE1 GLN A 240 18.716 13.597 40.207 0.01 15.07 O ATOM 3220 NE2 GLN A 240 17.301 13.032 38.681 0.01 16.33 N ATOM 0 H GLN A 240 22.932 11.607 38.753 1.00 14.69 H new ATOM 0 HA GLN A 240 21.331 11.846 36.638 1.00 15.16 H new ATOM 0 HB2 GLN A 240 20.504 12.020 38.933 1.00 16.15 H new ATOM 0 HB3 GLN A 240 21.286 13.358 39.106 1.00 16.15 H new ATOM 0 HG2 GLN A 240 19.792 14.533 37.854 0.01 15.60 H new ATOM 0 HG3 GLN A 240 19.283 13.262 37.108 0.01 15.60 H new ATOM 0 HE21 GLN A 240 17.121 12.892 37.852 0.01 16.33 H new ATOM 0 HE22 GLN A 240 16.691 12.924 39.278 0.01 16.33 H new ATOM 3229 N THR A 241 23.335 14.190 37.104 1.00 12.18 N ATOM 3230 CA THR A 241 23.897 15.373 36.431 1.00 13.26 C ATOM 3231 C THR A 241 24.612 14.989 35.164 1.00 14.15 C ATOM 3232 O THR A 241 24.420 15.645 34.158 1.00 13.78 O ATOM 3233 CB THR A 241 24.882 16.100 37.411 1.00 15.68 C ATOM 3234 OG1 THR A 241 24.021 16.543 38.465 1.00 15.74 O ATOM 3235 CG2 THR A 241 25.511 17.361 36.802 1.00 13.53 C ATOM 0 H THR A 241 23.708 13.971 37.847 1.00 12.18 H new ATOM 0 HA THR A 241 23.172 15.971 36.190 1.00 13.26 H new ATOM 0 HB THR A 241 25.608 15.509 37.664 1.00 15.68 H new ATOM 0 HG1 THR A 241 23.945 15.935 39.039 1.00 15.74 H new ATOM 0 HG21 THR A 241 26.109 17.769 37.448 1.00 13.53 H new ATOM 0 HG22 THR A 241 26.011 17.121 36.006 1.00 13.53 H new ATOM 0 HG23 THR A 241 24.811 17.990 36.567 1.00 13.53 H new ATOM 3243 N ILE A 242 25.401 13.961 35.198 1.00 13.54 N ATOM 3244 CA ILE A 242 26.088 13.653 33.925 1.00 15.44 C ATOM 3245 C ILE A 242 25.126 13.182 32.842 1.00 14.70 C ATOM 3246 O ILE A 242 25.335 13.486 31.681 1.00 17.24 O ATOM 3247 CB ILE A 242 27.209 12.589 34.197 1.00 16.26 C ATOM 3248 CG1 ILE A 242 26.656 11.246 34.667 1.00 19.17 C ATOM 3249 CG2 ILE A 242 28.193 13.146 35.288 1.00 14.42 C ATOM 3250 CD1 ILE A 242 27.827 10.224 34.637 1.00 22.48 C ATOM 0 H ILE A 242 25.563 13.450 35.871 1.00 13.54 H new ATOM 0 HA ILE A 242 26.488 14.469 33.586 1.00 15.44 H new ATOM 0 HB ILE A 242 27.666 12.434 33.356 1.00 16.26 H new ATOM 0 HG12 ILE A 242 26.292 11.321 35.563 1.00 19.17 H new ATOM 0 HG13 ILE A 242 25.933 10.954 34.090 1.00 19.17 H new ATOM 0 HG21 ILE A 242 28.889 12.492 35.461 1.00 14.42 H new ATOM 0 HG22 ILE A 242 28.595 13.970 34.971 1.00 14.42 H new ATOM 0 HG23 ILE A 242 27.703 13.320 36.107 1.00 14.42 H new ATOM 0 HD11 ILE A 242 27.507 9.357 34.931 1.00 22.48 H new ATOM 0 HD12 ILE A 242 28.171 10.152 33.733 1.00 22.48 H new ATOM 0 HD13 ILE A 242 28.535 10.525 35.228 1.00 22.48 H new ATOM 3262 N ALA A 243 24.099 12.475 33.235 1.00 13.34 N ATOM 3263 CA ALA A 243 23.155 11.993 32.194 1.00 14.38 C ATOM 3264 C ALA A 243 22.340 13.134 31.592 1.00 14.47 C ATOM 3265 O ALA A 243 21.801 12.986 30.524 1.00 16.07 O ATOM 3266 CB ALA A 243 22.213 10.953 32.813 1.00 12.83 C ATOM 0 H ALA A 243 23.914 12.259 34.047 1.00 13.34 H new ATOM 0 HA ALA A 243 23.673 11.595 31.477 1.00 14.38 H new ATOM 0 HB1 ALA A 243 21.594 10.634 32.138 1.00 12.83 H new ATOM 0 HB2 ALA A 243 22.732 10.207 33.153 1.00 12.83 H new ATOM 0 HB3 ALA A 243 21.716 11.359 33.541 1.00 12.83 H new ATOM 3272 N SER A 244 22.246 14.249 32.241 1.00 15.19 N ATOM 3273 CA SER A 244 21.440 15.377 31.676 1.00 17.76 C ATOM 3274 C SER A 244 22.320 16.504 31.126 1.00 17.39 C ATOM 3275 O SER A 244 21.791 17.579 30.883 1.00 19.53 O ATOM 3276 CB SER A 244 20.564 15.985 32.765 1.00 20.46 C ATOM 3277 OG SER A 244 19.976 14.899 33.478 1.00 23.86 O ATOM 0 H SER A 244 22.619 14.409 32.999 1.00 15.19 H new ATOM 0 HA SER A 244 20.911 15.002 30.955 1.00 17.76 H new ATOM 0 HB2 SER A 244 21.091 16.541 33.360 1.00 20.46 H new ATOM 0 HB3 SER A 244 19.879 16.553 32.378 1.00 20.46 H new ATOM 0 HG SER A 244 20.502 14.641 34.080 1.00 23.86 H new ATOM 3283 N ASN A 245 23.592 16.252 30.957 1.00 14.27 N ATOM 3284 CA ASN A 245 24.515 17.282 30.442 1.00 13.34 C ATOM 3285 C ASN A 245 25.523 16.666 29.458 1.00 13.36 C ATOM 3286 O ASN A 245 26.353 17.432 29.028 1.00 14.91 O ATOM 3287 CB ASN A 245 25.284 17.938 31.618 1.00 13.50 C ATOM 3288 CG ASN A 245 24.377 18.881 32.449 1.00 15.61 C ATOM 3289 OD1 ASN A 245 24.212 20.064 32.191 1.00 17.15 O ATOM 3290 ND2 ASN A 245 23.742 18.400 33.481 1.00 14.45 N ATOM 3291 OXT ASN A 245 25.441 15.487 29.176 1.00 13.82 O ATOM 0 H ASN A 245 23.961 15.495 31.129 1.00 14.27 H new ATOM 0 HA ASN A 245 23.992 17.954 29.977 1.00 13.34 H new ATOM 0 HB2 ASN A 245 25.644 17.246 32.194 1.00 13.50 H new ATOM 0 HB3 ASN A 245 26.039 18.439 31.271 1.00 13.50 H new ATOM 0 HD21 ASN A 245 23.232 18.911 33.949 1.00 14.45 H new ATOM 0 HD22 ASN A 245 23.833 17.572 33.694 1.00 14.45 H new TER 3298 ASN A 245 HETATM 3299 CA CA A 247 53.947 14.583 30.924 1.00 13.75 CA HETATM 3300 ZN A ZN A 409 43.079 23.173 48.481 0.41 36.65 ZN HETATM 3301 MG MG A 410 45.456 17.721 54.425 1.00 48.68 MG HETATM 3302 S SO4 A 646 51.669 -2.146 46.454 0.32 42.10 S HETATM 3303 O1 SO4 A 646 52.188 -0.929 45.916 0.32 41.22 O HETATM 3304 O2 SO4 A 646 52.587 -3.215 46.218 0.32 42.06 O HETATM 3305 O3 SO4 A 646 51.518 -2.024 47.862 0.32 41.75 O HETATM 3306 O4 SO4 A 646 50.404 -2.444 45.859 0.32 40.83 O HETATM 3307 O HOH A 248 38.787 13.308 42.292 1.00 15.86 O HETATM 3310 O HOH A 249 34.824 18.834 52.169 1.00 18.33 O HETATM 3313 O HOH A 250 47.579 16.923 42.295 1.00 18.91 O HETATM 3316 O HOH A 251 54.859 8.587 39.603 1.00 27.08 O HETATM 3319 O HOH A 252 48.239 18.480 58.590 1.00 27.76 O HETATM 3322 O HOH A 253 55.926 12.440 49.293 1.00 33.31 O HETATM 3325 O HOH A 254 52.733 15.207 45.694 1.00 19.34 O HETATM 3328 O HOH A 255 49.235 19.981 34.311 1.00 17.98 O HETATM 3331 O HOH A 256 52.329 5.045 51.746 1.00 26.09 O HETATM 3334 O HOH A 257 36.554 10.112 59.505 1.00 13.45 O HETATM 3337 O HOH A 258 48.198 7.669 33.788 1.00 37.73 O HETATM 3340 O HOH A 259 41.878 13.227 67.166 1.00 32.57 O HETATM 3343 O HOH A 260 48.229 14.983 59.128 1.00 35.77 O HETATM 3346 O HOH A 261 52.054 8.540 36.753 1.00 54.74 O HETATM 3349 O HOH A 262 51.894 23.996 32.266 1.00 20.37 O HETATM 3352 O HOH A 263 45.743 15.161 43.464 1.00 16.18 O HETATM 3355 O HOH A 264 32.120 18.087 51.671 1.00 13.93 O HETATM 3358 O HOH A 265 45.532 12.289 54.868 1.00 22.90 O HETATM 3361 O HOH A 266 47.496 12.569 57.915 1.00 27.80 O HETATM 3364 O HOH A 267 52.923 10.419 30.160 1.00 29.90 O HETATM 3367 O HOH A 268 51.399 18.784 32.537 1.00 15.63 O HETATM 3370 O HOH A 269 47.031 12.691 34.224 1.00 24.34 O HETATM 3373 O HOH A 270 48.020 10.083 35.679 1.00 38.60 O HETATM 3376 O HOH A 271 53.226 16.665 30.236 1.00 22.34 O HETATM 3379 O HOH A 272 30.782 25.826 32.428 1.00 22.97 O HETATM 3382 O HOH A 273 26.964 13.238 29.643 1.00 22.96 O HETATM 3385 O HOH A 274 52.622 23.150 36.217 1.00 23.64 O HETATM 3388 O HOH A 275 45.108 9.621 33.494 1.00 22.91 O HETATM 3391 O HOH A 276 49.369 7.686 36.869 1.00 35.14 O HETATM 3394 O HOH A 277 57.173 8.303 38.172 1.00 44.91 O HETATM 3397 O HOH A 278 31.017 29.476 45.802 1.00 22.37 O HETATM 3400 O HOH A 279 29.798 28.808 48.276 1.00 29.45 O HETATM 3403 O HOH A 280 44.603 7.375 44.017 1.00 13.22 O HETATM 3406 O HOH A 281 32.687 8.038 50.114 1.00 15.40 O HETATM 3409 O HOH A 282 33.232 22.964 57.907 1.00 22.81 O HETATM 3412 O HOH A 283 33.324 18.353 63.729 1.00 20.09 O HETATM 3415 O HOH A 284 41.424 4.027 61.349 1.00 27.14 O HETATM 3418 O HOH A 285 42.241 6.608 65.296 1.00 51.02 O HETATM 3421 O HOH A 286 32.929 6.050 28.958 1.00 24.51 O HETATM 3424 O HOH A 287 53.785 22.266 33.547 1.00 31.39 O HETATM 3427 O HOH A 288 59.841 6.981 46.006 1.00 34.91 O HETATM 3430 O HOH A 289 46.846 25.474 29.636 1.00 41.96 O HETATM 3433 O HOH A 290 46.191 6.196 60.866 1.00 38.99 O HETATM 3436 O HOH A 291 41.841 0.014 45.010 1.00 31.50 O HETATM 3439 O HOH A 292 33.061 6.653 52.612 1.00 27.55 O HETATM 3442 O HOH A 293 41.170 -2.131 43.009 1.00 32.55 O HETATM 3445 O HOH A 294 27.284 10.331 30.028 1.00 21.69 O HETATM 3448 O HOH A 295 27.503 13.421 26.583 1.00 27.19 O HETATM 3451 O HOH A 297 34.694 6.875 59.442 1.00 35.65 O HETATM 3454 O HOH A 298 31.326 0.254 46.736 1.00 35.13 O HETATM 3457 O HOH A 299 54.598 18.900 29.936 1.00 25.29 O HETATM 3460 O HOH A 300 25.456 8.948 31.656 1.00 25.42 O HETATM 3463 O HOH A 301 34.918 1.060 48.807 1.00 24.57 O HETATM 3466 O HOH A 302 58.365 8.000 56.908 1.00 62.15 O HETATM 3469 O HOH A 304 32.452 10.356 57.363 1.00 56.12 O HETATM 3472 O HOH A 305 30.632 22.856 59.151 1.00 34.19 O HETATM 3475 O HOH A 306 40.567 5.463 63.633 1.00 42.97 O HETATM 3478 O HOH A 307 29.574 6.998 34.501 1.00 29.93 O HETATM 3481 O HOH A 308 51.124 16.056 22.961 1.00 49.95 O HETATM 3484 O HOH A 309 54.192 12.343 31.425 1.00 30.23 O HETATM 3487 O HOH A 310 24.677 8.658 34.432 1.00 22.02 O HETATM 3490 O HOH A 311 60.061 15.012 47.435 1.00 57.68 O HETATM 3493 O HOH A 312 44.131 2.383 42.543 1.00 39.93 O HETATM 3496 O HOH A 313 23.883 15.955 46.542 1.00 23.37 O HETATM 3499 O HOH A 314 35.971 27.982 46.543 1.00 25.35 O HETATM 3502 O HOH A 315 37.945 25.265 28.942 1.00 42.50 O HETATM 3505 O HOH A 316 57.663 14.137 51.718 1.00 35.21 O HETATM 3508 O HOH A 317 39.993 12.720 20.192 1.00 52.54 O HETATM 3511 O HOH A 318 26.871 24.521 55.324 1.00 37.90 O HETATM 3514 O HOH A 319 53.662 23.399 53.806 1.00 52.38 O HETATM 3517 O HOH A 320 33.288 6.377 62.858 1.00 50.47 O HETATM 3520 O HOH A 321 32.434 28.249 43.895 1.00 25.34 O HETATM 3523 O HOH A 322 32.659 15.326 25.138 1.00 39.42 O HETATM 3526 O HOH A 323 46.743 8.256 26.080 1.00 44.74 O HETATM 3529 O HOH A 324 40.095 21.881 71.788 1.00 56.26 O HETATM 3532 O HOH A 325 42.549 16.344 52.394 1.00 27.19 O HETATM 3535 O HOH A 326 46.631 19.667 54.174 1.00 39.81 O HETATM 3538 O HOH A 330 56.598 8.296 31.830 1.00 44.18 O HETATM 3541 O HOH A 332 40.711 29.843 49.152 1.00 37.21 O HETATM 3544 O HOH A 333 36.459 23.877 56.759 1.00 45.63 O HETATM 3547 O HOH A 334 37.612 1.296 37.357 1.00 56.34 O HETATM 3550 O HOH A 335 36.530 29.807 58.328 1.00 48.15 O HETATM 3553 O HOH A 336 39.585 27.358 49.270 1.00 47.21 O HETATM 3556 O HOH A 337 41.813 23.131 50.633 1.00 37.61 O HETATM 3559 O HOH A 338 26.364 17.206 58.947 1.00 55.31 O HETATM 3562 O HOH A 339 24.629 14.957 61.123 1.00 53.34 O HETATM 3565 O HOH A 340 21.856 17.869 58.820 1.00 45.59 O HETATM 3568 O HOH A 341 27.098 24.928 34.776 1.00 37.70 O HETATM 3571 O HOH A 342 26.476 27.843 31.501 1.00 37.12 O HETATM 3574 O HOH A 343 21.737 21.346 31.455 1.00 49.61 O HETATM 3577 O HOH A 344 30.855 0.176 34.969 1.00 57.62 O HETATM 3580 O HOH A 345 40.049 32.907 24.938 1.00 58.75 O HETATM 3583 O HOH A 346 38.806 31.775 36.814 1.00 53.81 O HETATM 3586 O HOH A 348 31.450 25.019 60.616 1.00 30.68 O HETATM 3589 O HOH A 349 30.019 27.468 60.330 1.00 42.11 O HETATM 3592 O HOH A 350 28.610 30.197 50.506 1.00 54.31 O HETATM 3595 O HOH A 351 36.668 30.159 55.513 1.00 23.24 O HETATM 3598 O HOH A 356 46.616 -0.100 25.613 1.00 47.68 O HETATM 3601 O HOH A 357 40.676 2.060 36.855 1.00 51.38 O HETATM 3604 O HOH A 358 38.657 2.495 31.803 1.00 34.83 O HETATM 3607 O HOH A 359 56.886 8.293 54.378 1.00 53.46 O HETATM 3610 O HOH A 362 30.965 3.897 38.156 1.00 36.52 O HETATM 3613 O HOH A 363 49.278 25.770 57.968 1.00 50.38 O HETATM 3616 O HOH A 364 44.296 4.151 61.511 1.00 46.56 O HETATM 3619 O HOH A 367 39.417 30.324 45.684 1.00 60.38 O HETATM 3622 O HOH A 370 44.773 5.974 67.097 1.00 59.12 O HETATM 3625 O HOH A 373 37.920 -1.887 58.404 1.00 32.31 O HETATM 3628 O HOH A 374 41.543 -2.162 53.822 1.00 45.14 O HETATM 3631 O HOH A 376 23.331 12.619 45.738 1.00 25.39 O HETATM 3634 O HOH A 378 45.862 18.211 56.283 1.00 47.11 O HETATM 3637 O HOH A 379 56.211 5.128 53.887 1.00 61.43 O HETATM 3640 O HOH A 380 44.436 -1.490 70.570 1.00 38.91 O HETATM 3643 O HOH A 381 41.760 -1.593 71.519 1.00 38.36 O HETATM 3646 O HOH A 382 31.346 29.783 60.975 1.05 55.04 O HETATM 3649 O HOH A 383 57.553 29.506 59.071 1.00 50.15 O HETATM 3652 O HOH A 385 48.606 26.195 54.628 1.00 50.81 O HETATM 3655 O CHOH A 386 60.476 9.955 54.647 0.50 53.46 O HETATM 3658 O HOH A 387 58.239 10.236 51.353 1.00 57.76 O HETATM 3661 O HOH A 390 31.448 13.167 59.296 1.00 32.16 O HETATM 3664 O HOH A 392 57.518 13.410 56.805 1.00 58.64 O HETATM 3667 O HOH A 393 48.012 23.009 25.662 1.00 58.33 O HETATM 3670 O HOH A 395 62.441 20.029 28.936 1.00 27.81 O HETATM 3673 O HOH A 396 32.932 5.549 36.973 1.00 37.99 O HETATM 3676 O HOH A 397 65.294 16.595 32.756 1.00 49.72 O HETATM 3679 O HOH A 398 59.883 7.186 34.756 1.00 52.82 O HETATM 3682 O AHOH A 399 47.493 30.608 49.972 0.50 54.87 O HETATM 3685 O HOH A 400 24.592 20.346 52.990 1.00 57.07 O HETATM 3688 O HOH A 401 23.030 30.815 59.267 1.00 44.77 O HETATM 3691 O HOH A 403 58.554 13.291 49.125 1.00 62.42 O HETATM 3694 O HOH A 404 17.990 32.476 59.942 1.00 35.41 O HETATM 3697 O HOH A 406 17.361 25.230 59.834 1.00 27.85 O HETATM 3700 O HOH A 407 19.631 34.292 58.740 1.00 56.02 O HETATM 3703 O HOH A 412 45.566 22.361 52.986 1.00 41.21 O HETATM 3706 O HOH A 413 44.397 19.044 51.054 1.00 47.44 O HETATM 3709 O HOH A 414 44.190 24.696 56.222 1.00 35.74 O HETATM 3712 O BHOH A 415 49.126 31.677 50.291 0.50 19.51 O HETATM 3715 O HOH A 416 37.174 28.218 61.040 1.00 52.08 O HETATM 3718 O HOH A 417 33.713 29.190 58.505 1.00 49.91 O HETATM 3721 O HOH A 418 49.932 29.867 49.053 1.00 58.59 O HETATM 3724 O HOH A 419 47.989 29.825 47.033 1.00 54.35 O HETATM 3727 O HOH A 430 46.721 19.038 70.091 1.00 62.63 O HETATM 3730 O HOH A 435 43.073 3.588 65.739 1.00 61.68 O HETATM 3733 O CHOH A 436 42.194 21.584 73.034 0.50 62.63 O HETATM 3736 O HOH A 442 21.622 24.161 51.988 1.00 60.45 O HETATM 3739 O HOH A 444 21.636 24.637 55.064 1.00 58.50 O HETATM 3742 O HOH A 445 37.116 30.373 48.447 1.00 57.40 O HETATM 3745 O HOH A 449 33.649 6.627 65.699 1.00 54.96 O HETATM 3748 O HOH A 450 44.055 3.395 68.579 1.00 62.00 O HETATM 3751 O HOH A 453 60.691 13.126 43.778 1.00 56.93 O HETATM 3754 O HOH A 455 60.830 11.656 49.178 1.00 61.86 O HETATM 3757 O HOH A 457 62.483 14.127 50.155 1.00 62.19 O HETATM 3760 O HOH A 466 28.781 29.965 56.189 1.00 60.51 O HETATM 3763 O HOH A 467 45.167 23.645 47.233 1.00 43.43 O HETATM 3766 O HOH A 479 53.655 21.448 29.404 1.00 43.75 O HETATM 3769 O HOH A 489 25.248 23.193 33.654 1.00 46.69 O HETATM 3772 O HOH A 500 65.520 3.674 26.945 1.00 50.56 O HETATM 3775 O HOH A 501 23.948 9.013 46.229 1.00 36.70 O HETATM 3778 O HOH A 508 39.059 6.435 69.670 1.00 64.01 O HETATM 3781 O HOH A 511 24.535 20.923 57.221 1.00 58.58 O HETATM 3784 O HOH A 512 26.789 22.399 58.323 1.00 56.84 O HETATM 3787 O HOH A 519 34.400 -4.434 41.584 1.00 59.48 O HETATM 3790 O HOH A 523 45.939 2.286 40.551 1.00 53.39 O HETATM 3793 O HOH A 527 69.865 7.697 36.215 1.00 65.94 O HETATM 3796 O HOH A 532 46.447 30.826 43.831 1.00 48.30 O HETATM 3799 O HOH A 533 40.122 14.051 22.602 1.00 40.17 O HETATM 3802 O HOH A 536 31.728 31.665 47.307 1.00 48.64 O HETATM 3805 O HOH A 553 23.625 34.189 58.633 1.00 59.47 O HETATM 3808 O HOH A 594 42.476 0.367 48.368 1.00 38.40 O HETATM 3811 O HOH A 606 26.030 20.017 28.462 1.00 44.85 O HETATM 3814 O HOH A 611 66.313 14.732 28.271 1.00 59.51 O HETATM 3817 O HOH A 612 45.782 -0.164 63.552 1.00 58.05 O HETATM 3820 O HOH A 617 25.483 26.975 47.162 1.00 42.29 O HETATM 3823 O HOH A 624 36.795 25.900 31.297 1.00 50.06 O HETATM 3826 O HOH A 627 44.770 25.119 44.058 1.00 59.30 O HETATM 3829 O HOH A 629 62.557 12.320 52.731 1.00 58.68 O HETATM 3832 O HOH A 631 53.261 32.492 48.255 1.00 32.81 O HETATM 3835 O HOH A 636 35.432 25.754 34.055 1.00 54.77 O HETATM 3838 O HOH A 652 37.132 24.169 65.642 1.00 51.99 O HETATM 3841 O HOH A 664 38.898 24.338 68.074 1.00 49.77 O HETATM 3844 O HOH A 667 23.074 20.357 27.910 1.00 61.71 O HETATM 3847 O HOH A 675 34.624 2.485 26.731 1.00 59.10 O HETATM 3850 O HOH A 677 38.969 9.440 69.052 1.00 50.66 O HETATM 3853 O HOH A 681 46.696 28.467 42.352 1.00 55.14 O HETATM 3856 O HOH A 686 37.417 28.175 42.943 1.00 55.36 O HETATM 3859 O HOH A 688 31.268 18.293 25.589 1.00 46.02 O HETATM 3862 O HOH A 697 51.874 4.561 54.319 1.00 41.23 O HETATM 3865 O HOH A 699 36.492 32.422 69.330 1.00 55.23 O HETATM 3868 O HOH A 734 56.292 -2.756 47.285 1.00 58.63 O HETATM 3871 O HOH A 735 57.606 -0.462 44.252 1.00 60.34 O HETATM 3874 O HOH A 737 55.010 0.629 46.408 1.00 58.90 O HETATM 3877 O HOH A 738 59.655 4.150 47.267 1.00 58.26 O HETATM 3880 O HOH A 747 49.070 22.858 66.138 1.00 46.09 O HETATM 3883 O HOH A 749 34.070 25.518 59.475 1.00 45.71 O HETATM 3886 O HOH A 757 24.422 21.218 24.055 1.00 48.69 O HETATM 3889 O HOH A 758 43.415 16.985 70.972 1.00 46.61 O HETATM 3892 O HOH A 764 20.648 21.052 25.096 1.00 44.88 O HETATM 3895 O HOH A 765 31.280 1.775 66.838 1.00 42.17 O HETATM 3898 O HOH A 785 51.124 25.529 55.357 1.00 47.53 O HETATM 3901 O HOH A 798 36.047 31.149 42.556 1.00 44.54 O HETATM 3904 O HOH A 814 32.428 4.227 26.934 1.00 48.78 O HETATM 3907 O HOH A 818 40.095 4.437 23.145 1.00 44.71 O HETATM 3910 O HOH A 826 43.748 1.827 45.868 1.00 50.20 O HETATM 3913 O CHOH A 827 14.205 23.274 54.540 0.50 58.68 O HETATM 3916 O HOH A 829 53.677 5.851 23.823 1.00 46.66 O HETATM 3919 O HOH A 837 39.079 19.134 70.888 1.00 46.99 O HETATM 3922 O HOH A 838 46.273 16.253 70.542 1.00 47.51 O HETATM 3925 O HOH A 847 16.573 21.082 22.692 1.00 49.81 O HETATM 3928 O HOH A 870 46.006 3.449 65.914 1.00 65.81 O HETATM 3931 O HOH A 871 41.367 13.863 71.271 1.00 45.71 O HETATM 3934 O HOH A 872 53.431 26.307 53.598 1.00 55.20 O HETATM 3937 O HOH A 873 29.330 6.095 56.473 1.00 38.08 O HETATM 3940 O HOH A 874 55.165 1.061 40.981 1.00 43.67 O HETATM 3943 O HOH A 875 49.360 -0.035 39.953 1.00 47.97 O CONECT 92 2059 CONECT 362 613 CONECT 594 3300 CONECT 613 362 CONECT 801 3299 CONECT 824 3299 CONECT 871 3299 CONECT 944 3299 CONECT 1675 3080 CONECT 1754 2687 CONECT 2059 92 CONECT 2223 2430 CONECT 2430 2223 CONECT 2550 3301 CONECT 2571 2875 CONECT 2617 3300 CONECT 2687 1754 CONECT 2875 2571 CONECT 3080 1675 CONECT 3299 801 824 871 944 CONECT 3299 3376 3484 CONECT 3300 594 2617 3556 3763 CONECT 3301 2550 3535 3634 CONECT 3302 3303 3304 3305 3306 CONECT 3303 3302 CONECT 3304 3302 CONECT 3305 3302 CONECT 3306 3302 CONECT 3376 3299 CONECT 3484 3299 CONECT 3535 3301 CONECT 3556 3300 CONECT 3634 3301 CONECT 3763 3300 END