USER MOD reduce.3.24.130724 H: found=0, std=0, add=1672, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 2065 hydrogens (412 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2I TITLE RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF TITLE 2 SERINE PROTEASES COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.21.4; COMPND 5 OTHER_DETAILS: COMPLEXED WITH BIS(5-AMIDINO-2- COMPND 6 BENZIMIDAZOLYL)METHANE KETONE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS ZN(II)-MEDIATED SERINE PROTEASE INHIBITORS, PH DEPENDENCE, KEYWDS 2 ZN(II) AFFINITY STUCTURE-BASED DRUG DESIGN, SERINE KEYWDS 3 PROTEASE/INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.A.KATZ,C.LUONG REVDAT 4 02-MAR-10 1C2I 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2I 1 VERSN REVDAT 2 26-SEP-01 1C2I 3 ATOM REVDAT 1 26-JUL-00 1C2I 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. 1.47 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) : 1.47 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 80.0 REMARK 3 NUMBER OF REFLECTIONS : 26297 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) : 0.177 REMARK 3 FREE R VALUE : 0.208 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2613 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) : 1.47 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.54 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 34.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1236 REMARK 3 BIN R VALUE (WORKING SET) : 0.3910 REMARK 3 BIN FREE R VALUE : 0.3880 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 155 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 : 3315 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 55 REMARK 3 SOLVENT ATOMS : 588 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) : 0.019 REMARK 3 BOND ANGLES (DEGREES) : 4.00 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.40 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.59 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_KBZN55.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZN55.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 1C2I 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 RCSB001255. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-FEB-97 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 5.50 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 : 27202 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 REMARK 200 RESOLUTION RANGE LOW (A) : 54.800 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 80.0 REMARK 200 DATA REDUNDANCY : 3.200 REMARK 200 R MERGE (I) : 0.07100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.47 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.54 REMARK 200 COMPLETENESS FOR SHELL (%) : 34.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.22500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER PLUS REMARK 200 REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR, QUANTA, INSIGHTII REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 REMARK 280 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO: CRYSTALLIZATION SOLUTION REMARK 280 WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED TO REMARK 280 SYNTHETIC MOTHER LIQUOR CONTAINING 46 MM ZN(II), PH 5.50 AND REMARK 280 SOAKED FOR SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING REMARK 280 SOLUTIONS. THE SOLUTION WAS SATURATED IN KETO-BABIM AND REMARK 280 CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR SOLUBILITY. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 36.58667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 73.17333 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 73.17333 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 36.58667 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 HIS91 IS MONOPROTONATED ON THE EPSILON NITROGEN. REMARK 400 HIS57 IS MONOPROTONATED ON THE DELTA NITROGEN. REMARK 400 HIS40 IS DIPROTONATED. REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLU A 186 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HH TYR A 39 HZ3 LYS A 60 1.32 REMARK 500 CL CL A 299 H1 HOH A 296 1.36 REMARK 500 HZ2 LYS A 239 H1 HOH A 641 1.37 REMARK 500 HH12 ARG A 66 H2 HOH A 268 1.38 REMARK 500 HD22 ASN A 48 H GLN A 50 1.40 REMARK 500 CL CL A 299 H2 HOH A 271 1.44 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 HZ1 LYS A 87 H1 HOH A 566 5565 1.59 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 CG HIS A 40 CD2 0.062 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CZ2 ANGL. DEV. = 6.9 DEGREES REMARK 500 TYR A 59 CB - CG - CD1 ANGL. DEV. = -4.0 DEGREES REMARK 500 ASP A 102 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ARG A 117 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 8.9 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 VAL A 199 N - CA - C ANGL. DEV. = -16.7 DEGREES REMARK 500 TRP A 215 CG - CD1 - NE1 ANGL. DEV. = -6.2 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CZ2 ANGL. DEV. = 6.8 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -6.7 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 8.3 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 -78.12 -135.16 REMARK 500 SER A 147 74.92 -108.42 REMARK 500 SER A 195 134.05 -38.05 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 66 0.09 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 308 DISTANCE = 5.06 ANGSTROMS REMARK 525 HOH A 349 DISTANCE = 5.67 ANGSTROMS REMARK 525 HOH A 350 DISTANCE = 5.27 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 13.05 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.43 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.84 ANGSTROMS REMARK 525 HOH A 391 DISTANCE = 9.88 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.17 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 12.82 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.28 ANGSTROMS REMARK 525 HOH A 459 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 5.23 ANGSTROMS REMARK 525 HOH A 522 DISTANCE = 5.82 ANGSTROMS REMARK 525 HOH A 530 DISTANCE = 6.69 ANGSTROMS REMARK 525 HOH A 536 DISTANCE = 5.02 ANGSTROMS REMARK 525 HOH A 568 DISTANCE = 6.05 ANGSTROMS REMARK 525 HOH A 570 DISTANCE = 7.00 ANGSTROMS REMARK 525 HOH A 574 DISTANCE = 5.36 ANGSTROMS REMARK 525 HOH A 604 DISTANCE = 5.52 ANGSTROMS REMARK 525 HOH A 612 DISTANCE = 7.17 ANGSTROMS REMARK 525 HOH A 616 DISTANCE = 6.35 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 247 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE1 REMARK 620 2 GLU A 80 OE2 92.3 REMARK 620 3 ASN A 72 O 87.2 160.9 REMARK 620 4 VAL A 75 O 176.0 89.9 91.8 REMARK 620 5 HOH A 309 O 83.5 73.7 87.3 100.4 REMARK 620 6 HOH A 271 O 86.3 91.3 107.7 90.3 161.4 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 SER A 195 OG REMARK 620 2 HIS A 57 NE2 103.8 REMARK 620 3 BAK A 246 N3 110.2 130.0 REMARK 620 4 BAK A 246 N3' 116.0 114.6 81.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 410 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 BAK A 246 O9 REMARK 620 2 HOH A 413 O 66.3 REMARK 620 3 HOH A 567 O 151.7 121.7 REMARK 620 4 BAK A 246 N4' 69.2 71.3 87.2 REMARK 620 5 GLN A 192 OE1 89.5 147.8 70.8 80.6 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 411 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 379 O REMARK 620 2 BAK A 246 N4 124.0 REMARK 620 3 HOH A 524 O 64.4 75.9 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 CL A 299 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 411 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BAK A 246 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 333 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RELATED ID: 1C2F RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2E RELATED DB: PDB REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RELATED ID: 1C2M RELATED DB: PDB REMARK 900 RELATED ID: 1C1N RELATED DB: PDB REMARK 900 RELATED ID: 1C1O RELATED DB: PDB REMARK 900 RELATED ID: 1C1P RELATED DB: PDB REMARK 900 RELATED ID: 1C1Q RELATED DB: PDB REMARK 900 RELATED ID: 1C1R RELATED DB: PDB REMARK 900 RELATED ID: 1C1S RELATED DB: PDB REMARK 900 RELATED ID: 1C1T RELATED DB: PDB REMARK 900 RELATED ID: 1C1U RELATED DB: PDB REMARK 900 RELATED ID: 1C1V RELATED DB: PDB REMARK 900 RELATED ID: 1C1W RELATED DB: PDB REMARK 900 RELATED ID: 1C2J RELATED DB: PDB DBREF 1C2I A 16 245 UNP P00760 TRY1_BOVIN 21 243 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 247 1 HET CL A 299 1 HET ZN A 409 1 HET ZN A 410 1 HET ZN A 411 1 HET BAK A 246 40 HET DMS A 333 10 HETNAM CA CALCIUM ION HETNAM CL CHLORIDE ION HETNAM ZN ZINC ION HETNAM BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HETNAM DMS DIMETHYL SULFOXIDE FORMUL 2 CA CA 2+ FORMUL 3 CL CL 1- FORMUL 4 ZN 3(ZN 2+) FORMUL 7 BAK C17 H16 N8 O 2+ FORMUL 8 DMS C2 H6 O S FORMUL 9 HOH *196(H2 O) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 TYR A 234 SER A 244 1 11 SHEET 1 A 7 TYR A 20 THR A 21 0 SHEET 2 A 7 LYS A 156 PRO A 161 -1 N CYS A 157 O TYR A 20 SHEET 3 A 7 GLN A 135 GLY A 140 -1 N CYS A 136 O ALA A 160 SHEET 4 A 7 PRO A 198 CYS A 201 -1 O PRO A 198 N SER A 139 SHEET 5 A 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 B 7 GLN A 30 ASN A 34 -1 N VAL A 31 O GLY A 44 SHEET 4 B 7 GLN A 64 LEU A 67 -1 O GLN A 64 N ASN A 34 SHEET 5 B 7 GLN A 81 VAL A 90 -1 O GLN A 81 N LEU A 67 SHEET 6 B 7 MET A 104 LEU A 108 -1 O LEU A 105 N ILE A 89 SHEET 7 B 7 TRP A 51 SER A 54 -1 N VAL A 52 O ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.01 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.00 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.00 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.01 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.01 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.01 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.39 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.40 LINK CA CA A 247 O ASN A 72 1555 1555 2.24 LINK CA CA A 247 O VAL A 75 1555 1555 2.16 LINK CA CA A 247 O HOH A 309 1555 1555 2.37 LINK CA CA A 247 O HOH A 271 1555 1555 2.31 LINK ZN ZN A 409 OG SER A 195 1555 1555 2.27 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.28 LINK ZN ZN A 409 N3 BAK A 246 1555 1555 2.35 LINK ZN ZN A 409 N3' BAK A 246 1555 1555 2.25 LINK ZN ZN A 410 O9 BAK A 246 1555 1555 2.56 LINK ZN ZN A 410 O HOH A 413 1555 1555 2.48 LINK ZN ZN A 410 O HOH A 567 1555 1555 2.55 LINK ZN ZN A 410 N4' BAK A 246 1555 1555 2.31 LINK ZN ZN A 411 O HOH A 379 1555 1555 2.77 LINK ZN ZN A 411 N4 BAK A 246 1555 1555 2.34 LINK ZN ZN A 411 O HOH A 524 1555 4656 2.48 LINK OE1BGLN A 192 ZN ZN A 410 1555 1555 2.31 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 5 ILE A 73 VAL A 76 HOH A 271 HOH A 296 SITE *** AC2 5 HOH A 377 SITE *** AC3 3 HIS A 57 SER A 195 BAK A 246 SITE *** AC4 4 GLN A 192 BAK A 246 HOH A 413 HOH A 567 SITE *** AC5 5 GLN A 192 BAK A 246 HOH A 379 HOH A 414 SITE *** AC5 5 HOH A 524 SITE *** AC6 18 HIS A 57 ASP A 189 SER A 190 GLN A 192 SITE *** AC6 18 SER A 214 TRP A 215 GLY A 219 GLY A 226 SITE *** AC6 18 HOH A 325 HOH A 378 ZN A 409 ZN A 410 SITE *** AC6 18 ZN A 411 HOH A 413 HOH A 414 HOH A 524 SITE *** AC6 18 HOH A 565 HOH A 647 SITE *** AC7 7 ASN A 97 THR A 98 SER A 127 CYS A 128 SITE *** AC7 7 GLN A 175 TRP A 215 HOH A 382 CRYST1 55.000 55.000 109.760 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018182 0.010497 0.000000 0.00000 SCALE2 0.000000 0.020995 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009111 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 409 ZNZN :(H bumps) USER MOD NoAdj : A 192 GLNHE21B: A 192 GLN OE1B: A 410 ZNZN :(metal ligand) USER MOD NoAdj : A 192 GLNHE22B: A 192 GLN OE1B: A 410 ZNZN :(metal ligand) USER MOD NoAdj-H: A 246 BAK HN4 : A 246 BAK N4 : A 411 ZNZN :(H bumps) USER MOD Set 1.1: A 190 SER OG : rot -110:sc= 0.984 USER MOD Set 1.2: A 228 TYR OH : rot -171:sc= 1.83 USER MOD Set 2.1: A 164 SER OG : rot 180:sc= 1.15 USER MOD Set 2.2: A 166 SER OG : rot 180:sc= 0.0728 USER MOD Set 2.3: A 167 SER OG : rot -87:sc= 1.27 USER MOD Set 3.1: A 20 TYR OH : rot 30:sc= 0.536 USER MOD Set 3.2: A 159 LYS NZ :NH3+ 180:sc= 0.582 (180deg=0) USER MOD Set 4.1: A 144 THR OG1 : rot 180:sc= -0.334 USER MOD Set 4.2: A 145 LYS NZ :NH3+ -169:sc=-0.00333 (180deg=-0.0661) USER MOD Set 5.1: A 30 GLN : amide:sc= -1.31 K(o=-1.8,f=2.8) USER MOD Set 5.2: A 139 SER OG : rot -99:sc= -0.472 USER MOD Set 6.1: A 101 ASN : amide:sc= 1.14 K(o=0.58,f=-0.37) USER MOD Set 6.2: A 234 TYR OH : rot 3:sc= -0.551 USER MOD Set 7.1: A 100 ASN : amide:sc= 0.96 K(o=2.9,f=-2.5) USER MOD Set 7.2: A 177 THR OG1 : rot 176:sc= 1.1 USER MOD Set 7.3: A 179 ASN : amide:sc= 0.443 K(o=2.9,f=0.61) USER MOD Set 7.4: A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.5: A 233 ASN : amide:sc= 0.393 K(o=2.9,f=0.89) USER MOD Set 8.1: A 88 SER OG A: rot -142:sc= 0.214 USER MOD Set 8.2: A 104 MET CE B:methyl -141:sc= -1.31 (180deg=-1.45) USER MOD Set 9.1: A 87 LYS NZ A:NH3+ -153:sc= 0.559 (180deg=0) USER MOD Set 9.2: A 87 LYS NZ B:NH3+ 141:sc= 0.157 (180deg=0) USER MOD Set 9.3: A 245 ASN : amide:sc= 1.24 K(o=2,f=-5!) USER MOD Set10.1: A 37 SER OG : rot -82:sc= 1.28 USER MOD Set10.2: A 39 TYR OH : rot 30:sc= 0.281 USER MOD Set10.3: A 60 LYS NZ :NH3+ -120:sc= 1.07 (180deg=0.285) USER MOD Set11.1: A 32 SER OG : rot 84:sc= 2.45 USER MOD Set11.2: A 40 HIS : no HD1:sc= 1.53 K(o=4,f=-7.2!) USER MOD Set12.1: A 21 THR OG1 : rot 118:sc= 0.763 USER MOD Set12.2: A 156 LYS NZ :NH3+ -159:sc= 0.84 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.306 X(o=0.31,f=0.63) USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.02 USER MOD Single : A 29 TYR OH : rot -10:sc= 2.08 USER MOD Single : A 34 ASN : amide:sc= 1.06 K(o=1.1,f=-2.4!) USER MOD Single : A 45 SER OG : rot 95:sc= -0.706 USER MOD Single : A 48 ASN : amide:sc= -7.41! K(o=-7.4!,f=0.075) USER MOD Single : A 49 SER OG : rot -89:sc= 0.00848 USER MOD Single : A 50 GLN : amide:sc= 0.0862 X(o=0.086,f=0.31) USER MOD Single : A 54 SER OG : rot 98:sc= 0.869 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=-0.00321 K(o=-0.0032,f=-6.6!) USER MOD Single : A 72 ASN : amide:sc= 0.172 K(o=0.17,f=-7.9!) USER MOD Single : A 74 ASN : amide:sc= 0.678 K(o=0.68,f=-0.64) USER MOD Single : A 79 ASN : amide:sc= -0.942 K(o=-0.94,f=-1.7) USER MOD Single : A 81 GLN : amide:sc= 1.24 K(o=1.2,f=-3.8!) 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 B: rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0.396 K(o=0.4,f=-4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -1:sc= 0.79 USER MOD Single : A 95 ASN : amide:sc= -0.33 K(o=-0.33,f=-7.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.742 K(o=-0.74,f=-0.057) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00114 USER MOD Single : A 104 MET CE A:methyl -122:sc= -0.053 (180deg=-1.04) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.12) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.453 K(o=0.45,f=-9.5!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.017 USER MOD Single : A 120 SER OG : rot 180:sc= 0.00884 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 90:sc= 0.54 USER MOD Single : A 135 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 143 ASN : amide:sc= 1.01 K(o=1,f=-6.1!) USER MOD Single : A 146 SER OG : rot 180:sc= 0.101 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.0091 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG A: rot -91:sc= 0.634 USER MOD Single : A 170 SER OG B: rot 85:sc= 1.15 USER MOD Single : A 172 TYR OH : rot 11:sc= 0.815 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 184 TYR OH : rot 0:sc= 0.947 USER MOD Single : A 188 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00803) USER MOD Single : A 192 GLN A: amide:sc= -1.24 K(o=-1.2,f=-4.5!) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 155:sc= -0.0624 (180deg=-0.568) USER MOD Single : A 210 GLN : amide:sc= 0.346 K(o=0.35,f=1.7) USER MOD Single : A 214 SER OG : rot 49:sc= 2.29 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= -1.05 K(o=-1,f=-0.013) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 224 LYS NZ :NH3+ -172:sc= 0.499 (180deg=0.472) USER MOD Single : A 229 THR OG1 : rot -167:sc= 0.742 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc=0.000907 USER MOD Single : A 236 SER OG B: rot 64:sc= 0.486 USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= -0.0281 K(o=-0.028,f=-0.62) USER MOD Single : A 241 THR OG1 : rot 86:sc= 0.495 USER MOD Single : A 244 SER OG : rot 91:sc= 0.472 USER MOD Single : A 333 DMS C1 :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 333 DMS C2 :methyl 180:sc= -3.19 (180deg=-3.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.775 15.831 48.416 1.00 15.17 N ATOM 2 CA ILE A 16 51.669 14.606 49.261 1.00 17.35 C ATOM 3 C ILE A 16 52.956 14.633 50.068 1.00 17.88 C ATOM 4 O ILE A 16 54.012 14.661 49.466 1.00 15.36 O ATOM 5 CB ILE A 16 51.659 13.275 48.400 1.00 18.69 C ATOM 6 CG1 ILE A 16 50.453 13.173 47.379 1.00 19.51 C ATOM 7 CG2 ILE A 16 51.698 11.999 49.331 1.00 19.24 C ATOM 8 CD1 ILE A 16 49.090 12.932 48.111 1.00 18.97 C ATOM 0 HA ILE A 16 50.850 14.607 49.781 1.00 17.35 H new ATOM 0 HB ILE A 16 52.465 13.311 47.862 1.00 18.69 H new ATOM 0 HG12 ILE A 16 50.400 13.990 46.858 1.00 19.51 H new ATOM 0 HG13 ILE A 16 50.618 12.449 46.755 1.00 19.51 H new ATOM 0 HG21 ILE A 16 51.691 11.198 48.783 1.00 19.24 H new ATOM 0 HG22 ILE A 16 52.505 12.015 49.869 1.00 19.24 H new ATOM 0 HG23 ILE A 16 50.922 11.999 49.913 1.00 19.24 H new ATOM 0 HD11 ILE A 16 48.377 12.875 47.456 1.00 18.97 H new ATOM 0 HD12 ILE A 16 49.134 12.103 48.613 1.00 18.97 H new ATOM 0 HD13 ILE A 16 48.914 13.668 48.718 1.00 18.97 H new ATOM 22 N VAL A 17 52.814 14.602 51.350 1.00 19.27 N ATOM 23 CA VAL A 17 53.968 14.626 52.276 1.00 20.86 C ATOM 24 C VAL A 17 54.102 13.179 52.836 1.00 21.26 C ATOM 25 O VAL A 17 53.104 12.581 53.206 1.00 21.68 O ATOM 26 CB VAL A 17 53.663 15.609 53.432 1.00 20.67 C ATOM 27 CG1 VAL A 17 54.862 15.770 54.367 1.00 22.22 C ATOM 28 CG2 VAL A 17 53.179 16.970 52.920 1.00 22.18 C ATOM 0 H VAL A 17 52.050 14.566 51.743 1.00 19.27 H new ATOM 0 HA VAL A 17 54.784 14.910 51.836 1.00 20.86 H new ATOM 0 HB VAL A 17 52.937 15.218 53.944 1.00 20.67 H new ATOM 0 HG11 VAL A 17 54.637 16.391 55.078 1.00 22.22 H new ATOM 0 HG12 VAL A 17 55.091 14.909 54.751 1.00 22.22 H new ATOM 0 HG13 VAL A 17 55.619 16.112 53.867 1.00 22.22 H new ATOM 0 HG21 VAL A 17 53.000 17.554 53.673 1.00 22.18 H new ATOM 0 HG22 VAL A 17 53.864 17.367 52.359 1.00 22.18 H new ATOM 0 HG23 VAL A 17 52.367 16.851 52.403 1.00 22.18 H new ATOM 38 N GLY A 18 55.311 12.697 52.867 1.00 22.53 N ATOM 39 CA GLY A 18 55.660 11.331 53.383 1.00 23.61 C ATOM 40 C GLY A 18 55.144 10.206 52.548 1.00 23.82 C ATOM 41 O GLY A 18 54.869 9.155 53.092 1.00 28.02 O ATOM 0 H GLY A 18 55.994 13.139 52.589 1.00 22.53 H new ATOM 0 HA2 GLY A 18 56.625 11.257 53.445 1.00 23.61 H new ATOM 0 HA3 GLY A 18 55.310 11.238 54.283 1.00 23.61 H new ATOM 45 N GLY A 19 55.043 10.428 51.270 1.00 25.04 N ATOM 46 CA GLY A 19 54.522 9.368 50.350 1.00 23.74 C ATOM 47 C GLY A 19 55.655 8.847 49.465 1.00 24.86 C ATOM 48 O GLY A 19 56.811 9.015 49.819 1.00 25.35 O ATOM 0 H GLY A 19 55.259 11.166 50.886 1.00 25.04 H new ATOM 0 HA2 GLY A 19 54.142 8.639 50.865 1.00 23.74 H new ATOM 0 HA3 GLY A 19 53.809 9.728 49.799 1.00 23.74 H new ATOM 52 N TYR A 20 55.319 8.226 48.358 1.00 20.82 N ATOM 53 CA TYR A 20 56.371 7.696 47.460 1.00 20.05 C ATOM 54 C TYR A 20 56.040 7.959 46.017 1.00 20.32 C ATOM 55 O TYR A 20 54.932 8.323 45.683 1.00 19.97 O ATOM 56 CB TYR A 20 56.493 6.193 47.732 1.00 20.39 C ATOM 57 CG TYR A 20 55.160 5.453 47.506 1.00 21.03 C ATOM 58 CD1 TYR A 20 54.880 4.902 46.282 1.00 23.09 C ATOM 59 CD2 TYR A 20 54.209 5.327 48.500 1.00 22.27 C ATOM 60 CE1 TYR A 20 53.685 4.247 46.046 1.00 23.58 C ATOM 61 CE2 TYR A 20 53.012 4.669 48.259 1.00 23.43 C ATOM 62 CZ TYR A 20 52.741 4.125 47.031 1.00 23.12 C ATOM 63 OH TYR A 20 51.537 3.482 46.796 1.00 29.30 O ATOM 0 H TYR A 20 54.511 8.093 48.095 1.00 20.82 H new ATOM 0 HA TYR A 20 57.215 8.141 47.635 1.00 20.05 H new ATOM 0 HB2 TYR A 20 57.174 5.815 47.153 1.00 20.39 H new ATOM 0 HB3 TYR A 20 56.788 6.054 48.645 1.00 20.39 H new ATOM 0 HD1 TYR A 20 55.506 4.970 45.597 1.00 23.09 H new ATOM 0 HD2 TYR A 20 54.373 5.688 49.341 1.00 22.27 H new ATOM 0 HE1 TYR A 20 53.520 3.884 45.206 1.00 23.58 H new ATOM 0 HE2 TYR A 20 52.384 4.596 48.941 1.00 23.43 H new ATOM 0 HH TYR A 20 51.646 2.887 46.213 1.00 29.30 H new ATOM 73 N THR A 21 56.990 7.773 45.172 1.00 19.91 N ATOM 74 CA THR A 21 56.753 7.996 43.724 1.00 20.87 C ATOM 75 C THR A 21 55.897 6.805 43.285 1.00 21.70 C ATOM 76 O THR A 21 56.242 5.645 43.445 1.00 21.18 O ATOM 77 CB THR A 21 58.117 8.020 43.016 1.00 21.10 C ATOM 78 OG1 THR A 21 58.806 9.153 43.550 1.00 23.13 O ATOM 79 CG2 THR A 21 57.947 8.343 41.542 1.00 21.91 C ATOM 0 H THR A 21 57.786 7.520 45.377 1.00 19.91 H new ATOM 0 HA THR A 21 56.306 8.831 43.515 1.00 20.87 H new ATOM 0 HB THR A 21 58.563 7.167 43.134 1.00 21.10 H new ATOM 0 HG1 THR A 21 59.502 8.897 43.945 1.00 23.13 H new ATOM 0 HG21 THR A 21 58.816 8.354 41.111 1.00 21.91 H new ATOM 0 HG22 THR A 21 57.388 7.669 41.125 1.00 21.91 H new ATOM 0 HG23 THR A 21 57.528 9.213 41.447 1.00 21.91 H new ATOM 87 N CYS A 22 54.779 7.139 42.722 1.00 21.86 N ATOM 88 CA CYS A 22 53.835 6.092 42.256 1.00 21.69 C ATOM 89 C CYS A 22 54.356 5.156 41.185 1.00 22.82 C ATOM 90 O CYS A 22 54.261 3.947 41.295 1.00 27.08 O ATOM 91 CB CYS A 22 52.571 6.732 41.687 1.00 19.57 C ATOM 92 SG CYS A 22 51.680 7.893 42.734 1.00 19.36 S ATOM 0 H CYS A 22 54.522 7.948 42.587 1.00 21.86 H new ATOM 0 HA CYS A 22 53.677 5.564 43.054 1.00 21.69 H new ATOM 0 HB2 CYS A 22 52.812 7.192 40.868 1.00 19.57 H new ATOM 0 HB3 CYS A 22 51.959 6.020 41.443 1.00 19.57 H new ATOM 97 N GLY A 23 54.860 5.759 40.171 1.00 18.90 N ATOM 98 CA GLY A 23 55.401 5.037 39.030 1.00 20.12 C ATOM 99 C GLY A 23 54.517 5.600 37.915 1.00 21.73 C ATOM 100 O GLY A 23 53.328 5.865 38.062 1.00 21.86 O ATOM 0 H GLY A 23 54.910 6.615 40.102 1.00 18.90 H new ATOM 0 HA2 GLY A 23 56.342 5.222 38.886 1.00 20.12 H new ATOM 0 HA3 GLY A 23 55.312 4.076 39.124 1.00 20.12 H new ATOM 104 N ALA A 24 55.145 5.775 36.797 1.00 21.26 N ATOM 105 CA ALA A 24 54.401 6.324 35.651 1.00 22.51 C ATOM 106 C ALA A 24 53.198 5.506 35.277 1.00 25.49 C ATOM 107 O ALA A 24 53.264 4.309 35.066 1.00 23.60 O ATOM 108 CB ALA A 24 55.249 6.398 34.389 1.00 25.11 C ATOM 0 H ALA A 24 55.975 5.597 36.656 1.00 21.26 H new ATOM 0 HA ALA A 24 54.136 7.206 35.955 1.00 22.51 H new ATOM 0 HB1 ALA A 24 54.719 6.764 33.664 1.00 25.11 H new ATOM 0 HB2 ALA A 24 56.017 6.969 34.548 1.00 25.11 H new ATOM 0 HB3 ALA A 24 55.552 5.508 34.150 1.00 25.11 H new ATOM 114 N ASN A 25 52.146 6.252 35.199 1.00 23.29 N ATOM 115 CA ASN A 25 50.811 5.768 34.843 1.00 22.72 C ATOM 116 C ASN A 25 50.328 4.575 35.654 1.00 19.94 C ATOM 117 O ASN A 25 49.672 3.711 35.100 1.00 21.64 O ATOM 118 CB ASN A 25 50.834 5.445 33.328 1.00 24.30 C ATOM 119 CG ASN A 25 51.427 6.598 32.492 1.00 23.67 C ATOM 120 OD1 ASN A 25 52.379 6.437 31.752 1.00 26.36 O ATOM 121 ND2 ASN A 25 50.924 7.792 32.548 1.00 23.79 N ATOM 0 H ASN A 25 52.167 7.097 35.355 1.00 23.29 H new ATOM 0 HA ASN A 25 50.170 6.465 35.055 1.00 22.72 H new ATOM 0 HB2 ASN A 25 51.354 4.640 33.179 1.00 24.30 H new ATOM 0 HB3 ASN A 25 49.931 5.260 33.025 1.00 24.30 H new ATOM 0 HD21 ASN A 25 51.264 8.425 32.075 1.00 23.79 H new ATOM 0 HD22 ASN A 25 50.250 7.951 33.058 1.00 23.79 H new ATOM 128 N THR A 26 50.634 4.543 36.923 1.00 20.80 N ATOM 129 CA THR A 26 50.166 3.402 37.775 1.00 22.86 C ATOM 130 C THR A 26 48.824 3.787 38.418 1.00 22.59 C ATOM 131 O THR A 26 48.200 2.968 39.074 1.00 23.85 O ATOM 132 CB THR A 26 51.189 3.110 38.892 1.00 23.69 C ATOM 133 OG1 THR A 26 51.508 4.387 39.452 1.00 23.43 O ATOM 134 CG2 THR A 26 52.466 2.557 38.218 1.00 25.83 C ATOM 0 H THR A 26 51.098 5.140 37.332 1.00 20.80 H new ATOM 0 HA THR A 26 50.068 2.611 37.223 1.00 22.86 H new ATOM 0 HB THR A 26 50.856 2.485 39.555 1.00 23.69 H new ATOM 0 HG1 THR A 26 52.158 4.720 39.038 1.00 23.43 H new ATOM 0 HG21 THR A 26 53.132 2.363 38.896 1.00 25.83 H new ATOM 0 HG22 THR A 26 52.251 1.744 37.734 1.00 25.83 H new ATOM 0 HG23 THR A 26 52.818 3.217 37.600 1.00 25.83 H new ATOM 142 N VAL A 27 48.417 5.023 38.231 1.00 20.95 N ATOM 143 CA VAL A 27 47.141 5.573 38.769 1.00 17.80 C ATOM 144 C VAL A 27 46.479 6.165 37.506 1.00 18.68 C ATOM 145 O VAL A 27 46.439 7.370 37.314 1.00 17.48 O ATOM 146 CB VAL A 27 47.431 6.667 39.794 1.00 18.73 C ATOM 147 CG1 VAL A 27 46.134 7.045 40.518 1.00 17.45 C ATOM 148 CG2 VAL A 27 48.449 6.133 40.815 1.00 21.51 C ATOM 0 H VAL A 27 48.870 5.598 37.779 1.00 20.95 H new ATOM 0 HA VAL A 27 46.588 4.919 39.224 1.00 17.80 H new ATOM 0 HB VAL A 27 47.790 7.450 39.348 1.00 18.73 H new ATOM 0 HG11 VAL A 27 46.317 7.740 41.169 1.00 17.45 H new ATOM 0 HG12 VAL A 27 45.486 7.370 39.873 1.00 17.45 H new ATOM 0 HG13 VAL A 27 45.776 6.265 40.970 1.00 17.45 H new ATOM 0 HG21 VAL A 27 48.640 6.821 41.471 1.00 21.51 H new ATOM 0 HG22 VAL A 27 48.082 5.354 41.261 1.00 21.51 H new ATOM 0 HG23 VAL A 27 49.268 5.887 40.357 1.00 21.51 H new ATOM 158 N PRO A 28 45.967 5.360 36.623 1.00 15.06 N ATOM 159 CA PRO A 28 45.561 5.809 35.280 1.00 16.78 C ATOM 160 C PRO A 28 44.317 6.747 35.237 1.00 13.67 C ATOM 161 O PRO A 28 44.058 7.341 34.210 1.00 14.26 O ATOM 162 CB APRO A 28 45.376 4.484 34.523 0.92 18.19 C ATOM 163 CB BPRO A 28 45.347 4.492 34.500 0.23 16.12 C ATOM 164 CG APRO A 28 44.850 3.535 35.629 0.92 17.31 C ATOM 165 CG BPRO A 28 45.994 3.386 35.399 0.23 15.89 C ATOM 166 CD APRO A 28 45.727 3.898 36.832 0.92 19.09 C ATOM 167 CD BPRO A 28 45.727 3.894 36.811 0.23 16.86 C ATOM 0 HA PRO A 28 46.224 6.391 34.876 1.00 16.78 H new ATOM 0 HB2APRO A 28 44.745 4.571 33.792 0.92 16.12 H new ATOM 0 HB2BPRO A 28 44.404 4.319 34.353 0.23 16.12 H new ATOM 0 HB3APRO A 28 46.210 4.167 34.142 0.92 16.12 H new ATOM 0 HB3BPRO A 28 45.768 4.527 33.627 0.23 16.12 H new ATOM 0 HG2APRO A 28 43.909 3.682 35.812 0.92 15.89 H new ATOM 0 HG2BPRO A 28 45.590 2.517 35.247 0.23 15.89 H new ATOM 0 HG3APRO A 28 44.948 2.603 35.380 0.92 15.89 H new ATOM 0 HG3BPRO A 28 46.944 3.291 35.225 0.23 15.89 H new ATOM 0 HD2APRO A 28 45.278 3.722 37.673 0.92 16.86 H new ATOM 0 HD2BPRO A 28 44.823 3.703 37.107 0.23 16.86 H new ATOM 0 HD3APRO A 28 46.555 3.393 36.841 0.92 16.86 H new ATOM 0 HD3BPRO A 28 46.328 3.502 37.464 0.23 16.86 H new ATOM 181 N TYR A 29 43.623 6.825 36.341 1.00 13.27 N ATOM 182 CA TYR A 29 42.386 7.681 36.475 1.00 15.12 C ATOM 183 C TYR A 29 42.708 9.060 37.040 1.00 14.15 C ATOM 184 O TYR A 29 41.827 9.885 37.142 1.00 13.12 O ATOM 185 CB TYR A 29 41.336 6.970 37.425 1.00 14.43 C ATOM 186 CG TYR A 29 41.998 6.549 38.770 1.00 13.21 C ATOM 187 CD1 TYR A 29 42.189 7.446 39.802 1.00 12.74 C ATOM 188 CD2 TYR A 29 42.434 5.254 38.960 1.00 12.32 C ATOM 189 CE1 TYR A 29 42.804 7.041 40.987 1.00 13.46 C ATOM 190 CE2 TYR A 29 43.040 4.858 40.128 1.00 13.36 C ATOM 191 CZ TYR A 29 43.236 5.744 41.159 1.00 13.59 C ATOM 192 OH TYR A 29 43.845 5.383 42.350 1.00 16.03 O ATOM 0 H TYR A 29 43.827 6.395 37.058 1.00 13.27 H new ATOM 0 HA TYR A 29 42.015 7.793 35.586 1.00 15.12 H new ATOM 0 HB2 TYR A 29 40.594 7.570 37.599 1.00 14.43 H new ATOM 0 HB3 TYR A 29 40.971 6.188 36.982 1.00 14.43 H new ATOM 0 HD1 TYR A 29 41.906 8.327 39.707 1.00 12.74 H new ATOM 0 HD2 TYR A 29 42.315 4.632 38.279 1.00 12.32 H new ATOM 0 HE1 TYR A 29 42.924 7.657 41.673 1.00 13.46 H new ATOM 0 HE2 TYR A 29 43.322 3.977 40.222 1.00 13.36 H new ATOM 0 HH TYR A 29 44.010 6.072 42.801 1.00 16.03 H new ATOM 202 N GLN A 30 43.958 9.251 37.376 1.00 14.52 N ATOM 203 CA GLN A 30 44.401 10.571 37.953 1.00 17.21 C ATOM 204 C GLN A 30 44.553 11.597 36.803 1.00 15.63 C ATOM 205 O GLN A 30 45.131 11.320 35.763 1.00 12.98 O ATOM 206 CB GLN A 30 45.772 10.385 38.700 1.00 17.18 C ATOM 207 CG GLN A 30 46.494 11.742 39.101 1.00 16.81 C ATOM 208 CD GLN A 30 46.002 12.292 40.416 1.00 15.55 C ATOM 209 OE1 GLN A 30 45.625 13.439 40.568 1.00 18.87 O ATOM 210 NE2 GLN A 30 45.997 11.494 41.411 1.00 14.54 N ATOM 0 H GLN A 30 44.581 8.663 37.294 1.00 14.52 H new ATOM 0 HA GLN A 30 43.742 10.894 38.587 1.00 17.21 H new ATOM 0 HB2 GLN A 30 45.621 9.863 39.503 1.00 17.18 H new ATOM 0 HB3 GLN A 30 46.368 9.870 38.134 1.00 17.18 H new ATOM 0 HG2 GLN A 30 47.451 11.592 39.154 1.00 16.81 H new ATOM 0 HG3 GLN A 30 46.348 12.400 38.404 1.00 16.81 H new ATOM 0 HE21 GLN A 30 46.262 10.682 41.312 1.00 14.54 H new ATOM 0 HE22 GLN A 30 45.729 11.768 42.181 1.00 14.54 H new ATOM 219 N VAL A 31 43.993 12.778 37.096 1.00 13.64 N ATOM 220 CA VAL A 31 44.059 13.900 36.129 1.00 15.82 C ATOM 221 C VAL A 31 44.761 15.133 36.788 1.00 14.86 C ATOM 222 O VAL A 31 44.778 15.288 37.986 1.00 14.56 O ATOM 223 CB AVAL A 31 42.536 14.128 35.825 0.29 15.81 C ATOM 224 CB BVAL A 31 42.584 14.371 35.560 0.69 15.89 C ATOM 225 CG1AVAL A 31 42.272 15.215 34.853 0.29 15.83 C ATOM 226 CG1BVAL A 31 41.648 13.166 35.203 0.69 19.13 C ATOM 227 CG2AVAL A 31 41.733 12.818 35.478 0.29 17.62 C ATOM 228 CG2BVAL A 31 41.855 15.396 36.407 0.69 15.39 C ATOM 0 H VAL A 31 43.579 12.954 37.829 1.00 13.64 H new ATOM 0 HA VAL A 31 44.577 13.738 35.325 1.00 15.82 H new ATOM 0 HB AVAL A 31 42.184 14.432 36.676 0.29 15.89 H new ATOM 0 HB BVAL A 31 42.808 14.832 34.737 0.69 15.89 H new ATOM 0 HG11AVAL A 31 41.316 15.300 34.714 0.29 19.13 H new ATOM 0 HG11BVAL A 31 40.799 13.502 34.875 0.69 19.13 H new ATOM 0 HG12AVAL A 31 42.623 16.051 35.199 0.29 19.13 H new ATOM 0 HG12BVAL A 31 42.067 12.623 34.517 0.69 19.13 H new ATOM 0 HG13AVAL A 31 42.704 15.007 34.010 0.29 19.13 H new ATOM 0 HG13BVAL A 31 41.498 12.627 35.995 0.69 19.13 H new ATOM 0 HG21AVAL A 31 40.806 13.043 35.304 0.29 15.39 H new ATOM 0 HG21BVAL A 31 41.003 15.610 35.995 0.69 15.39 H new ATOM 0 HG22AVAL A 31 42.117 12.402 34.691 0.29 15.39 H new ATOM 0 HG22BVAL A 31 41.703 15.034 37.294 0.69 15.39 H new ATOM 0 HG23AVAL A 31 41.781 12.201 36.225 0.29 15.39 H new ATOM 0 HG23BVAL A 31 42.392 16.201 36.474 0.69 15.39 H new ATOM 245 N SER A 32 45.276 15.964 35.962 1.00 14.09 N ATOM 246 CA SER A 32 45.973 17.195 36.418 1.00 13.09 C ATOM 247 C SER A 32 45.099 18.308 35.763 1.00 12.85 C ATOM 248 O SER A 32 44.853 18.219 34.567 1.00 12.54 O ATOM 249 CB SER A 32 47.367 17.356 35.818 1.00 14.23 C ATOM 250 OG SER A 32 47.866 18.658 36.153 1.00 12.26 O ATOM 0 H SER A 32 45.253 15.866 35.108 1.00 14.09 H new ATOM 0 HA SER A 32 46.073 17.203 37.383 1.00 13.09 H new ATOM 0 HB2 SER A 32 47.961 16.670 36.160 1.00 14.23 H new ATOM 0 HB3 SER A 32 47.333 17.247 34.855 1.00 14.23 H new ATOM 0 HG SER A 32 48.205 18.639 36.921 1.00 12.26 H new ATOM 256 N LEU A 33 44.682 19.276 36.524 1.00 10.58 N ATOM 257 CA LEU A 33 43.863 20.395 35.992 1.00 11.87 C ATOM 258 C LEU A 33 44.960 21.475 35.794 1.00 12.28 C ATOM 259 O LEU A 33 45.747 21.795 36.684 1.00 12.67 O ATOM 260 CB LEU A 33 42.837 20.878 37.024 1.00 13.87 C ATOM 261 CG LEU A 33 41.849 19.748 37.464 1.00 15.80 C ATOM 262 CD1 LEU A 33 40.759 20.401 38.368 1.00 17.28 C ATOM 263 CD2 LEU A 33 41.186 19.028 36.248 1.00 17.45 C ATOM 0 H LEU A 33 44.850 19.329 37.366 1.00 10.58 H new ATOM 0 HA LEU A 33 43.348 20.170 35.202 1.00 11.87 H new ATOM 0 HB2 LEU A 33 43.303 21.217 37.804 1.00 13.87 H new ATOM 0 HB3 LEU A 33 42.332 21.618 36.651 1.00 13.87 H new ATOM 0 HG LEU A 33 42.343 19.066 37.946 1.00 15.80 H new ATOM 0 HD11 LEU A 33 40.129 19.722 38.658 1.00 17.28 H new ATOM 0 HD12 LEU A 33 41.180 20.803 39.144 1.00 17.28 H new ATOM 0 HD13 LEU A 33 40.289 21.085 37.866 1.00 17.28 H new ATOM 0 HD21 LEU A 33 40.584 18.338 36.569 1.00 17.45 H new ATOM 0 HD22 LEU A 33 40.687 19.673 35.722 1.00 17.45 H new ATOM 0 HD23 LEU A 33 41.874 18.625 35.696 1.00 17.45 H new ATOM 275 N ASN A 34 44.959 21.983 34.607 1.00 13.49 N ATOM 276 CA ASN A 34 45.948 23.027 34.211 1.00 14.20 C ATOM 277 C ASN A 34 45.334 24.342 33.680 1.00 15.02 C ATOM 278 O ASN A 34 44.442 24.302 32.847 1.00 13.36 O ATOM 279 CB ASN A 34 46.852 22.353 33.141 1.00 12.39 C ATOM 280 CG ASN A 34 48.027 23.196 32.649 1.00 14.79 C ATOM 281 OD1 ASN A 34 47.852 24.202 31.993 1.00 14.88 O ATOM 282 ND2 ASN A 34 49.239 22.827 32.936 1.00 13.56 N ATOM 0 H ASN A 34 44.406 21.760 33.987 1.00 13.49 H new ATOM 0 HA ASN A 34 46.439 23.316 34.996 1.00 14.20 H new ATOM 0 HB2 ASN A 34 47.199 21.525 33.508 1.00 12.39 H new ATOM 0 HB3 ASN A 34 46.302 22.116 32.378 1.00 12.39 H new ATOM 0 HD21 ASN A 34 49.907 23.294 32.662 1.00 13.56 H new ATOM 0 HD22 ASN A 34 49.373 22.116 33.400 1.00 13.56 H new ATOM 289 N SER A 37 45.788 25.466 34.172 1.00 15.20 N ATOM 290 CA SER A 37 45.256 26.760 33.670 1.00 15.77 C ATOM 291 C SER A 37 46.579 27.540 33.386 1.00 19.86 C ATOM 292 O SER A 37 46.733 28.694 33.754 1.00 20.69 O ATOM 293 CB SER A 37 44.377 27.458 34.757 1.00 17.94 C ATOM 294 OG SER A 37 45.155 27.482 35.929 1.00 20.16 O ATOM 0 H SER A 37 46.390 25.528 34.783 1.00 15.20 H new ATOM 0 HA SER A 37 44.673 26.691 32.898 1.00 15.77 H new ATOM 0 HB2 SER A 37 44.134 28.356 34.483 1.00 17.94 H new ATOM 0 HB3 SER A 37 43.550 26.972 34.899 1.00 17.94 H new ATOM 0 HG SER A 37 45.098 26.740 36.319 1.00 20.16 H new ATOM 300 N GLY A 38 47.523 26.886 32.726 1.00 19.66 N ATOM 301 CA GLY A 38 48.837 27.527 32.405 1.00 17.40 C ATOM 302 C GLY A 38 49.948 26.895 33.267 1.00 17.37 C ATOM 303 O GLY A 38 51.137 27.103 33.048 1.00 14.17 O ATOM 0 H GLY A 38 47.444 26.076 32.448 1.00 19.66 H new ATOM 0 HA2 GLY A 38 49.041 27.412 31.464 1.00 17.40 H new ATOM 0 HA3 GLY A 38 48.790 28.482 32.571 1.00 17.40 H new ATOM 307 N TYR A 39 49.457 26.174 34.238 1.00 15.86 N ATOM 308 CA TYR A 39 50.256 25.434 35.237 1.00 16.91 C ATOM 309 C TYR A 39 49.249 24.509 35.948 1.00 16.28 C ATOM 310 O TYR A 39 48.049 24.726 35.910 1.00 13.39 O ATOM 311 CB TYR A 39 50.910 26.395 36.304 1.00 15.98 C ATOM 312 CG TYR A 39 49.843 27.366 36.770 1.00 15.21 C ATOM 313 CD1 TYR A 39 49.626 28.517 36.064 1.00 17.52 C ATOM 314 CD2 TYR A 39 49.054 27.073 37.844 1.00 18.52 C ATOM 315 CE1 TYR A 39 48.625 29.362 36.412 1.00 19.80 C ATOM 316 CE2 TYR A 39 48.049 27.914 38.204 1.00 19.49 C ATOM 317 CZ TYR A 39 47.836 29.058 37.478 1.00 21.06 C ATOM 318 OH TYR A 39 46.806 29.903 37.786 1.00 25.54 O ATOM 0 H TYR A 39 48.610 26.084 34.358 1.00 15.86 H new ATOM 0 HA TYR A 39 50.983 24.958 34.806 1.00 16.91 H new ATOM 0 HB2 TYR A 39 51.256 25.885 37.053 1.00 15.98 H new ATOM 0 HB3 TYR A 39 51.659 26.874 35.916 1.00 15.98 H new ATOM 0 HD1 TYR A 39 50.170 28.722 35.338 1.00 17.52 H new ATOM 0 HD2 TYR A 39 49.204 26.295 38.331 1.00 18.52 H new ATOM 0 HE1 TYR A 39 48.479 30.142 35.927 1.00 19.80 H new ATOM 0 HE2 TYR A 39 47.511 27.716 38.936 1.00 19.49 H new ATOM 0 HH TYR A 39 46.528 30.273 37.085 1.00 25.54 H new ATOM 328 N HIS A 40 49.789 23.518 36.591 1.00 15.11 N ATOM 329 CA HIS A 40 48.979 22.526 37.329 1.00 13.73 C ATOM 330 C HIS A 40 48.501 23.192 38.612 1.00 14.57 C ATOM 331 O HIS A 40 49.306 23.748 39.337 1.00 13.39 O ATOM 332 CB HIS A 40 49.879 21.280 37.666 1.00 15.47 C ATOM 333 CG HIS A 40 49.238 20.423 38.822 1.00 15.77 C ATOM 334 ND1 HIS A 40 48.350 19.470 38.645 1.00 15.25 N ATOM 335 CD2 HIS A 40 49.441 20.500 40.221 1.00 15.70 C ATOM 336 CE1 HIS A 40 48.016 18.983 39.806 1.00 14.37 C ATOM 337 NE2 HIS A 40 48.656 19.589 40.751 1.00 15.98 N ATOM 0 H HIS A 40 50.637 23.378 36.628 1.00 15.11 H new ATOM 0 HA HIS A 40 48.220 22.228 36.804 1.00 13.73 H new ATOM 0 HB2 HIS A 40 49.989 20.731 36.874 1.00 15.47 H new ATOM 0 HB3 HIS A 40 50.764 21.577 37.930 1.00 15.47 H new ATOM 0 HD2 HIS A 40 50.013 21.077 40.673 1.00 15.70 H new ATOM 0 HE1 HIS A 40 47.403 18.296 39.936 1.00 14.37 H new ATOM 0 HE2 HIS A 40 48.580 19.423 41.591 1.00 15.98 H new ATOM 346 N PHE A 41 47.229 23.141 38.899 1.00 12.78 N ATOM 347 CA PHE A 41 46.764 23.776 40.169 1.00 14.37 C ATOM 348 C PHE A 41 45.906 22.807 41.001 1.00 13.88 C ATOM 349 O PHE A 41 45.733 23.033 42.187 1.00 14.74 O ATOM 350 CB PHE A 41 45.996 25.072 39.827 1.00 16.17 C ATOM 351 CG PHE A 41 44.671 24.840 39.109 1.00 16.01 C ATOM 352 CD1 PHE A 41 43.514 24.630 39.843 1.00 15.16 C ATOM 353 CD2 PHE A 41 44.627 24.849 37.720 1.00 16.09 C ATOM 354 CE1 PHE A 41 42.327 24.434 39.204 1.00 14.83 C ATOM 355 CE2 PHE A 41 43.427 24.650 37.072 1.00 17.62 C ATOM 356 CZ PHE A 41 42.270 24.441 37.825 1.00 16.08 C ATOM 0 H PHE A 41 46.620 22.770 38.418 1.00 12.78 H new ATOM 0 HA PHE A 41 47.532 23.999 40.717 1.00 14.37 H new ATOM 0 HB2 PHE A 41 45.827 25.562 40.647 1.00 16.17 H new ATOM 0 HB3 PHE A 41 46.560 25.633 39.272 1.00 16.17 H new ATOM 0 HD1 PHE A 41 43.548 24.623 40.772 1.00 15.16 H new ATOM 0 HD2 PHE A 41 45.405 24.989 37.229 1.00 16.09 H new ATOM 0 HE1 PHE A 41 41.552 24.295 39.699 1.00 14.83 H new ATOM 0 HE2 PHE A 41 43.388 24.655 36.143 1.00 17.62 H new ATOM 0 HZ PHE A 41 41.457 24.306 37.395 1.00 16.08 H new ATOM 366 N CYS A 42 45.389 21.764 40.395 1.00 15.16 N ATOM 367 CA CYS A 42 44.549 20.768 41.157 1.00 12.25 C ATOM 368 C CYS A 42 44.546 19.434 40.439 1.00 12.89 C ATOM 369 O CYS A 42 44.927 19.376 39.279 1.00 11.59 O ATOM 370 CB CYS A 42 43.082 21.263 41.287 1.00 12.11 C ATOM 371 SG CYS A 42 42.740 22.404 42.673 1.00 14.22 S ATOM 0 H CYS A 42 45.491 21.587 39.560 1.00 15.16 H new ATOM 0 HA CYS A 42 44.934 20.671 42.042 1.00 12.25 H new ATOM 0 HB2 CYS A 42 42.834 21.704 40.460 1.00 12.11 H new ATOM 0 HB3 CYS A 42 42.505 20.489 41.379 1.00 12.11 H new ATOM 376 N GLY A 43 44.110 18.434 41.149 1.00 13.21 N ATOM 377 CA GLY A 43 44.029 17.055 40.601 1.00 13.18 C ATOM 378 C GLY A 43 42.520 16.800 40.387 1.00 11.96 C ATOM 379 O GLY A 43 41.676 17.629 40.667 1.00 11.88 O ATOM 0 H GLY A 43 43.846 18.506 41.964 1.00 13.21 H new ATOM 0 HA2 GLY A 43 44.520 16.978 39.768 1.00 13.18 H new ATOM 0 HA3 GLY A 43 44.411 16.409 41.216 1.00 13.18 H new ATOM 383 N GLY A 44 42.233 15.645 39.880 1.00 13.11 N ATOM 384 CA GLY A 44 40.845 15.241 39.622 1.00 13.92 C ATOM 385 C GLY A 44 40.846 13.710 39.306 1.00 14.09 C ATOM 386 O GLY A 44 41.908 13.118 39.251 1.00 13.77 O ATOM 0 H GLY A 44 42.821 15.054 39.667 1.00 13.11 H new ATOM 0 HA2 GLY A 44 40.287 15.429 40.393 1.00 13.92 H new ATOM 0 HA3 GLY A 44 40.478 15.742 38.877 1.00 13.92 H new ATOM 390 N SER A 45 39.686 13.132 39.110 1.00 13.19 N ATOM 391 CA SER A 45 39.589 11.682 38.798 1.00 13.67 C ATOM 392 C SER A 45 38.743 11.537 37.531 1.00 14.41 C ATOM 393 O SER A 45 37.741 12.229 37.419 1.00 12.13 O ATOM 394 CB SER A 45 38.861 10.935 39.886 1.00 14.15 C ATOM 395 OG SER A 45 39.697 11.023 41.013 1.00 17.58 O ATOM 0 H SER A 45 38.930 13.541 39.148 1.00 13.19 H new ATOM 0 HA SER A 45 40.486 11.326 38.702 1.00 13.67 H new ATOM 0 HB2 SER A 45 37.992 11.330 40.062 1.00 14.15 H new ATOM 0 HB3 SER A 45 38.707 10.011 39.635 1.00 14.15 H new ATOM 0 HG SER A 45 39.461 11.675 41.487 1.00 17.58 H new ATOM 401 N LEU A 46 39.134 10.656 36.642 1.00 14.68 N ATOM 402 CA LEU A 46 38.344 10.459 35.398 1.00 14.46 C ATOM 403 C LEU A 46 37.230 9.431 35.797 1.00 14.29 C ATOM 404 O LEU A 46 37.557 8.362 36.288 1.00 14.20 O ATOM 405 CB LEU A 46 39.282 9.880 34.322 1.00 16.11 C ATOM 406 CG LEU A 46 38.575 9.704 32.959 1.00 18.45 C ATOM 407 CD1 LEU A 46 38.202 11.090 32.364 1.00 18.73 C ATOM 408 CD2 LEU A 46 39.523 8.957 32.010 1.00 18.77 C ATOM 0 H LEU A 46 39.834 10.161 36.715 1.00 14.68 H new ATOM 0 HA LEU A 46 37.955 11.273 35.042 1.00 14.46 H new ATOM 0 HB2 LEU A 46 40.047 10.466 34.214 1.00 16.11 H new ATOM 0 HB3 LEU A 46 39.622 9.022 34.620 1.00 16.11 H new ATOM 0 HG LEU A 46 37.757 9.195 33.076 1.00 18.45 H new ATOM 0 HD11 LEU A 46 37.759 10.967 31.510 1.00 18.73 H new ATOM 0 HD12 LEU A 46 37.606 11.554 32.973 1.00 18.73 H new ATOM 0 HD13 LEU A 46 39.007 11.616 32.238 1.00 18.73 H new ATOM 0 HD21 LEU A 46 39.092 8.839 31.149 1.00 18.77 H new ATOM 0 HD22 LEU A 46 40.338 9.471 31.896 1.00 18.77 H new ATOM 0 HD23 LEU A 46 39.739 8.089 32.385 1.00 18.77 H new ATOM 420 N ILE A 47 35.979 9.755 35.591 1.00 15.43 N ATOM 421 CA ILE A 47 34.898 8.790 35.960 1.00 18.29 C ATOM 422 C ILE A 47 34.322 8.106 34.709 1.00 17.70 C ATOM 423 O ILE A 47 33.622 7.131 34.872 1.00 19.23 O ATOM 424 CB ILE A 47 33.804 9.543 36.807 1.00 21.60 C ATOM 425 CG1 ILE A 47 33.291 10.835 36.228 1.00 23.30 C ATOM 426 CG2 ILE A 47 34.492 9.893 38.147 1.00 24.05 C ATOM 427 CD1 ILE A 47 31.991 11.206 36.995 1.00 25.28 C ATOM 0 H ILE A 47 35.711 10.498 35.251 1.00 15.43 H new ATOM 0 HA ILE A 47 35.261 8.077 36.509 1.00 18.29 H new ATOM 0 HB ILE A 47 33.033 8.957 36.861 1.00 21.60 H new ATOM 0 HG12 ILE A 47 33.954 11.537 36.320 1.00 23.30 H new ATOM 0 HG13 ILE A 47 33.112 10.737 35.280 1.00 23.30 H new ATOM 0 HG21 ILE A 47 33.866 10.363 38.720 1.00 24.05 H new ATOM 0 HG22 ILE A 47 34.781 9.077 38.585 1.00 24.05 H new ATOM 0 HG23 ILE A 47 35.262 10.459 37.978 1.00 24.05 H new ATOM 0 HD11 ILE A 47 31.634 12.037 36.644 1.00 25.28 H new ATOM 0 HD12 ILE A 47 31.336 10.500 36.882 1.00 25.28 H new ATOM 0 HD13 ILE A 47 32.191 11.313 37.938 1.00 25.28 H new ATOM 439 N ASN A 48 34.578 8.584 33.522 1.00 16.77 N ATOM 440 CA ASN A 48 34.087 7.947 32.248 1.00 16.12 C ATOM 441 C ASN A 48 34.763 8.770 31.161 1.00 15.94 C ATOM 442 O ASN A 48 35.326 9.801 31.483 1.00 15.95 O ATOM 443 CB ASN A 48 32.495 7.919 32.090 1.00 16.21 C ATOM 444 CG ASN A 48 31.750 9.186 31.817 1.00 17.33 C ATOM 445 OD1 ASN A 48 30.605 9.269 32.191 1.00 24.19 O ATOM 446 ND2 ASN A 48 32.268 10.179 31.206 1.00 12.57 N ATOM 0 H ASN A 48 35.045 9.295 33.393 1.00 16.77 H new ATOM 0 HA ASN A 48 34.311 7.004 32.216 1.00 16.12 H new ATOM 0 HB2 ASN A 48 32.287 7.301 31.372 1.00 16.21 H new ATOM 0 HB3 ASN A 48 32.131 7.540 32.905 1.00 16.21 H new ATOM 0 HD21 ASN A 48 31.803 10.889 31.068 1.00 12.57 H new ATOM 0 HD22 ASN A 48 33.082 10.138 30.932 1.00 12.57 H new ATOM 453 N SER A 49 34.704 8.387 29.928 1.00 14.44 N ATOM 454 CA SER A 49 35.409 9.176 28.899 1.00 17.73 C ATOM 455 C SER A 49 35.116 10.656 28.733 1.00 17.90 C ATOM 456 O SER A 49 35.923 11.360 28.156 1.00 19.74 O ATOM 457 CB SER A 49 35.215 8.422 27.578 1.00 18.85 C ATOM 458 OG SER A 49 33.877 8.707 27.207 1.00 24.06 O ATOM 0 H SER A 49 34.280 7.695 29.642 1.00 14.44 H new ATOM 0 HA SER A 49 36.325 9.235 29.213 1.00 17.73 H new ATOM 0 HB2 SER A 49 35.842 8.724 26.902 1.00 18.85 H new ATOM 0 HB3 SER A 49 35.356 7.469 27.690 1.00 18.85 H new ATOM 0 HG SER A 49 33.365 8.130 27.539 1.00 24.06 H new ATOM 464 N GLN A 50 34.002 11.122 29.196 1.00 16.46 N ATOM 465 CA GLN A 50 33.715 12.581 29.035 1.00 17.27 C ATOM 466 C GLN A 50 33.628 13.366 30.343 1.00 16.28 C ATOM 467 O GLN A 50 33.430 14.564 30.246 1.00 15.73 O ATOM 468 CB GLN A 50 32.388 12.769 28.332 1.00 20.16 C ATOM 469 CG GLN A 50 32.336 12.094 26.953 1.00 27.30 C ATOM 470 CD GLN A 50 30.894 12.274 26.497 1.00 32.27 C ATOM 471 OE1 GLN A 50 30.023 11.500 26.841 1.00 37.49 O ATOM 472 NE2 GLN A 50 30.592 13.282 25.752 1.00 35.17 N ATOM 0 H GLN A 50 33.396 10.662 29.597 1.00 16.46 H new ATOM 0 HA GLN A 50 34.468 12.924 28.528 1.00 17.27 H new ATOM 0 HB2 GLN A 50 31.679 12.410 28.889 1.00 20.16 H new ATOM 0 HB3 GLN A 50 32.214 13.718 28.229 1.00 20.16 H new ATOM 0 HG2 GLN A 50 32.957 12.508 26.333 1.00 27.30 H new ATOM 0 HG3 GLN A 50 32.574 11.155 27.010 1.00 27.30 H new ATOM 0 HE21 GLN A 50 31.204 13.833 25.505 1.00 35.17 H new ATOM 0 HE22 GLN A 50 29.778 13.403 25.502 1.00 35.17 H new ATOM 481 N TRP A 51 33.778 12.734 31.483 1.00 12.43 N ATOM 482 CA TRP A 51 33.665 13.482 32.768 1.00 13.71 C ATOM 483 C TRP A 51 34.734 13.237 33.817 1.00 14.34 C ATOM 484 O TRP A 51 35.242 12.130 33.968 1.00 15.08 O ATOM 485 CB TRP A 51 32.250 13.157 33.417 1.00 12.96 C ATOM 486 CG TRP A 51 31.006 13.653 32.643 1.00 13.78 C ATOM 487 CD1 TRP A 51 30.339 12.986 31.641 1.00 13.04 C ATOM 488 CD2 TRP A 51 30.372 14.849 32.832 1.00 15.58 C ATOM 489 NE1 TRP A 51 29.371 13.800 31.299 1.00 13.27 N ATOM 490 CE2 TRP A 51 29.289 14.947 31.941 1.00 15.67 C ATOM 491 CE3 TRP A 51 30.609 15.911 33.703 1.00 15.19 C ATOM 492 CZ2 TRP A 51 28.468 16.078 31.922 1.00 16.08 C ATOM 493 CZ3 TRP A 51 29.787 17.043 33.686 1.00 17.28 C ATOM 494 CH2 TRP A 51 28.715 17.124 32.792 1.00 16.77 C ATOM 0 H TRP A 51 33.942 11.893 31.561 1.00 12.43 H new ATOM 0 HA TRP A 51 33.782 14.411 32.514 1.00 13.71 H new ATOM 0 HB2 TRP A 51 32.178 12.195 33.523 1.00 12.96 H new ATOM 0 HB3 TRP A 51 32.228 13.543 34.307 1.00 12.96 H new ATOM 0 HD1 TRP A 51 30.532 12.148 31.287 1.00 13.04 H new ATOM 0 HE1 TRP A 51 28.811 13.593 30.680 1.00 13.27 H new ATOM 0 HE3 TRP A 51 31.320 15.867 34.301 1.00 15.19 H new ATOM 0 HZ2 TRP A 51 27.757 16.127 31.325 1.00 16.08 H new ATOM 0 HZ3 TRP A 51 29.954 17.745 34.272 1.00 17.28 H new ATOM 0 HH2 TRP A 51 28.171 17.878 32.783 1.00 16.77 H new ATOM 505 N VAL A 52 35.011 14.297 34.526 1.00 13.97 N ATOM 506 CA VAL A 52 36.007 14.305 35.619 1.00 15.09 C ATOM 507 C VAL A 52 35.342 14.859 36.894 1.00 12.80 C ATOM 508 O VAL A 52 34.478 15.720 36.828 1.00 13.34 O ATOM 509 CB VAL A 52 37.238 15.222 35.209 1.00 16.18 C ATOM 510 CG1 VAL A 52 38.190 15.518 36.427 1.00 17.01 C ATOM 511 CG2 VAL A 52 38.034 14.536 34.064 1.00 17.56 C ATOM 0 H VAL A 52 34.631 15.058 34.401 1.00 13.97 H new ATOM 0 HA VAL A 52 36.327 13.404 35.783 1.00 15.09 H new ATOM 0 HB VAL A 52 36.887 16.074 34.906 1.00 16.18 H new ATOM 0 HG11 VAL A 52 38.925 16.079 36.134 1.00 17.01 H new ATOM 0 HG12 VAL A 52 37.693 15.975 37.123 1.00 17.01 H new ATOM 0 HG13 VAL A 52 38.539 14.683 36.775 1.00 17.01 H new ATOM 0 HG21 VAL A 52 38.786 15.095 33.813 1.00 17.56 H new ATOM 0 HG22 VAL A 52 38.359 13.674 34.367 1.00 17.56 H new ATOM 0 HG23 VAL A 52 37.454 14.411 33.297 1.00 17.56 H new ATOM 521 N VAL A 53 35.728 14.336 38.052 1.00 12.62 N ATOM 522 CA VAL A 53 35.188 14.823 39.340 1.00 14.31 C ATOM 523 C VAL A 53 36.434 15.434 40.045 1.00 13.76 C ATOM 524 O VAL A 53 37.514 14.864 40.007 1.00 12.86 O ATOM 525 CB AVAL A 53 34.543 13.639 40.152 0.80 14.92 C ATOM 526 CB BVAL A 53 34.612 13.663 40.253 0.18 15.96 C ATOM 527 CG1AVAL A 53 35.498 12.504 40.409 0.80 16.97 C ATOM 528 CG1BVAL A 53 33.385 12.984 39.637 0.18 16.01 C ATOM 529 CG2AVAL A 53 33.996 14.166 41.481 0.80 14.94 C ATOM 530 CG2BVAL A 53 35.654 12.557 40.495 0.18 16.63 C ATOM 0 H VAL A 53 36.301 13.699 38.124 1.00 12.62 H new ATOM 0 HA VAL A 53 34.474 15.474 39.247 1.00 14.31 H new ATOM 0 HB AVAL A 53 33.826 13.281 39.606 0.80 15.96 H new ATOM 0 HB BVAL A 53 34.369 14.099 41.085 0.18 15.96 H new ATOM 0 HG11AVAL A 53 35.046 11.808 40.911 0.80 16.01 H new ATOM 0 HG11BVAL A 53 33.070 12.284 40.230 0.18 16.01 H new ATOM 0 HG12AVAL A 53 35.808 12.144 39.563 0.80 16.01 H new ATOM 0 HG12BVAL A 53 32.682 13.640 39.510 0.18 16.01 H new ATOM 0 HG13AVAL A 53 36.257 12.828 40.919 0.80 16.01 H new ATOM 0 HG13BVAL A 53 33.625 12.597 38.780 0.18 16.01 H new ATOM 0 HG21AVAL A 53 33.599 13.435 41.980 0.80 16.63 H new ATOM 0 HG21BVAL A 53 35.268 11.866 41.056 0.18 16.63 H new ATOM 0 HG22AVAL A 53 34.719 14.555 41.998 0.80 16.63 H new ATOM 0 HG22BVAL A 53 35.921 12.172 39.646 0.18 16.63 H new ATOM 0 HG23AVAL A 53 33.323 14.843 41.309 0.80 16.63 H new ATOM 0 HG23BVAL A 53 36.431 12.935 40.936 0.18 16.63 H new ATOM 547 N SER A 54 36.256 16.562 40.631 1.00 12.40 N ATOM 548 CA SER A 54 37.351 17.238 41.375 1.00 12.86 C ATOM 549 C SER A 54 36.636 17.933 42.567 1.00 12.22 C ATOM 550 O SER A 54 35.489 17.655 42.879 1.00 12.08 O ATOM 551 CB SER A 54 38.073 18.244 40.399 1.00 13.20 C ATOM 552 OG SER A 54 39.137 18.836 41.128 1.00 14.76 O ATOM 0 H SER A 54 35.510 16.990 40.631 1.00 12.40 H new ATOM 0 HA SER A 54 38.045 16.646 41.706 1.00 12.86 H new ATOM 0 HB2 SER A 54 38.409 17.781 39.616 1.00 13.20 H new ATOM 0 HB3 SER A 54 37.454 18.921 40.084 1.00 13.20 H new ATOM 0 HG SER A 54 39.854 18.437 40.951 1.00 14.76 H new ATOM 558 N ALA A 55 37.355 18.832 43.180 1.00 11.23 N ATOM 559 CA ALA A 55 36.825 19.588 44.325 1.00 12.54 C ATOM 560 C ALA A 55 36.315 20.969 43.831 1.00 12.20 C ATOM 561 O ALA A 55 36.857 21.612 42.946 1.00 13.14 O ATOM 562 CB ALA A 55 37.927 19.804 45.330 1.00 11.68 C ATOM 0 H ALA A 55 38.162 19.035 42.961 1.00 11.23 H new ATOM 0 HA ALA A 55 36.098 19.094 44.734 1.00 12.54 H new ATOM 0 HB1 ALA A 55 37.582 20.302 46.087 1.00 11.68 H new ATOM 0 HB2 ALA A 55 38.261 18.945 45.634 1.00 11.68 H new ATOM 0 HB3 ALA A 55 38.649 20.303 44.917 1.00 11.68 H new ATOM 568 N ALA A 56 35.263 21.420 44.445 1.00 12.64 N ATOM 569 CA ALA A 56 34.684 22.727 44.066 1.00 11.60 C ATOM 570 C ALA A 56 35.661 23.851 44.435 1.00 12.64 C ATOM 571 O ALA A 56 35.642 24.883 43.800 1.00 14.11 O ATOM 572 CB ALA A 56 33.417 22.946 44.802 1.00 11.65 C ATOM 0 H ALA A 56 34.854 21.010 45.080 1.00 12.64 H new ATOM 0 HA ALA A 56 34.518 22.730 43.110 1.00 11.60 H new ATOM 0 HB1 ALA A 56 33.041 23.804 44.551 1.00 11.65 H new ATOM 0 HB2 ALA A 56 32.789 22.241 44.582 1.00 11.65 H new ATOM 0 HB3 ALA A 56 33.591 22.937 45.756 1.00 11.65 H new ATOM 578 N HIS A 57 36.490 23.656 45.428 1.00 12.72 N ATOM 579 CA HIS A 57 37.421 24.786 45.756 1.00 13.68 C ATOM 580 C HIS A 57 38.521 24.899 44.700 1.00 13.72 C ATOM 581 O HIS A 57 39.364 25.778 44.779 1.00 14.27 O ATOM 582 CB HIS A 57 38.030 24.618 47.226 1.00 13.97 C ATOM 583 CG HIS A 57 39.088 23.549 47.432 1.00 16.46 C ATOM 584 ND1 HIS A 57 38.903 22.303 47.699 1.00 17.35 N ATOM 585 CD2 HIS A 57 40.447 23.666 47.375 1.00 18.87 C ATOM 586 CE1 HIS A 57 40.001 21.662 47.806 1.00 15.76 C ATOM 587 NE2 HIS A 57 40.977 22.488 47.609 1.00 17.07 N ATOM 0 H HIS A 57 36.555 22.947 45.910 1.00 12.72 H new ATOM 0 HA HIS A 57 36.915 25.613 45.746 1.00 13.68 H new ATOM 0 HB2 HIS A 57 38.411 25.470 47.491 1.00 13.97 H new ATOM 0 HB3 HIS A 57 37.297 24.434 47.834 1.00 13.97 H new ATOM 0 HD1 HIS A 57 38.127 21.944 47.794 1.00 17.35 H new ATOM 0 HD2 HIS A 57 40.918 24.449 47.200 1.00 18.87 H new ATOM 0 HE1 HIS A 57 40.085 20.755 47.994 1.00 15.76 H new ATOM 595 N CYS A 58 38.494 24.018 43.727 1.00 13.43 N ATOM 596 CA CYS A 58 39.485 24.029 42.610 1.00 12.72 C ATOM 597 C CYS A 58 38.807 24.712 41.411 1.00 14.78 C ATOM 598 O CYS A 58 39.345 24.779 40.328 1.00 16.72 O ATOM 599 CB CYS A 58 39.862 22.618 42.160 1.00 13.39 C ATOM 600 SG CYS A 58 40.953 21.759 43.283 1.00 13.93 S ATOM 0 H CYS A 58 37.912 23.388 43.673 1.00 13.43 H new ATOM 0 HA CYS A 58 40.286 24.483 42.915 1.00 12.72 H new ATOM 0 HB2 CYS A 58 39.051 22.097 42.050 1.00 13.39 H new ATOM 0 HB3 CYS A 58 40.286 22.670 41.289 1.00 13.39 H new ATOM 605 N TYR A 59 37.618 25.223 41.584 1.00 16.95 N ATOM 606 CA TYR A 59 36.935 25.891 40.426 1.00 17.39 C ATOM 607 C TYR A 59 37.723 27.126 39.899 1.00 13.66 C ATOM 608 O TYR A 59 38.205 27.948 40.657 1.00 15.92 O ATOM 609 CB TYR A 59 35.492 26.327 40.879 1.00 17.44 C ATOM 610 CG TYR A 59 34.898 27.227 39.795 1.00 16.55 C ATOM 611 CD1 TYR A 59 34.953 28.576 40.009 1.00 18.17 C ATOM 612 CD2 TYR A 59 34.355 26.750 38.603 1.00 18.74 C ATOM 613 CE1 TYR A 59 34.488 29.431 39.059 1.00 18.20 C ATOM 614 CE2 TYR A 59 33.883 27.627 37.637 1.00 18.65 C ATOM 615 CZ TYR A 59 33.960 28.971 37.886 1.00 19.17 C ATOM 616 OH TYR A 59 33.522 29.884 36.962 1.00 25.29 O ATOM 0 H TYR A 59 37.176 25.213 42.321 1.00 16.95 H new ATOM 0 HA TYR A 59 36.890 25.256 39.694 1.00 17.39 H new ATOM 0 HB2 TYR A 59 34.931 25.548 41.015 1.00 17.44 H new ATOM 0 HB3 TYR A 59 35.532 26.799 41.725 1.00 17.44 H new ATOM 0 HD1 TYR A 59 35.307 28.908 40.802 1.00 18.17 H new ATOM 0 HD2 TYR A 59 34.309 25.833 38.454 1.00 18.74 H new ATOM 0 HE1 TYR A 59 34.530 30.348 39.211 1.00 18.20 H new ATOM 0 HE2 TYR A 59 33.523 27.310 36.840 1.00 18.65 H new ATOM 0 HH TYR A 59 33.223 29.480 36.289 1.00 25.29 H new ATOM 626 N LYS A 60 37.793 27.175 38.605 1.00 17.27 N ATOM 627 CA LYS A 60 38.464 28.223 37.774 1.00 21.40 C ATOM 628 C LYS A 60 37.766 28.150 36.446 1.00 21.39 C ATOM 629 O LYS A 60 37.127 27.163 36.109 1.00 22.06 O ATOM 630 CB LYS A 60 39.941 27.954 37.349 1.00 24.79 C ATOM 631 CG LYS A 60 40.889 28.163 38.444 1.00 27.34 C ATOM 632 CD LYS A 60 42.318 28.142 37.849 1.00 26.79 C ATOM 633 CE LYS A 60 43.264 28.424 39.024 1.00 27.32 C ATOM 634 NZ LYS A 60 44.672 28.194 38.657 0.05 26.67 N ATOM 0 H LYS A 60 37.432 26.565 38.118 1.00 17.27 H new ATOM 0 HA LYS A 60 38.434 29.035 38.304 1.00 21.40 H new ATOM 0 HB2 LYS A 60 40.020 27.043 37.027 1.00 24.79 H new ATOM 0 HB3 LYS A 60 40.173 28.538 36.610 1.00 24.79 H new ATOM 0 HG2 LYS A 60 40.717 29.010 38.884 1.00 27.34 H new ATOM 0 HG3 LYS A 60 40.791 27.469 39.115 1.00 27.34 H new ATOM 0 HD2 LYS A 60 42.513 27.283 37.443 1.00 26.79 H new ATOM 0 HD3 LYS A 60 42.416 28.812 37.155 1.00 26.79 H new ATOM 0 HE2 LYS A 60 43.152 29.342 39.317 1.00 27.32 H new ATOM 0 HE3 LYS A 60 43.028 27.856 39.774 1.00 27.32 H new ATOM 0 HZ1 LYS A 60 45.017 27.564 39.183 0.05 26.67 H new ATOM 0 HZ2 LYS A 60 44.718 27.930 37.808 0.05 26.67 H new ATOM 0 HZ3 LYS A 60 45.132 28.949 38.758 0.05 26.67 H new ATOM 648 N SER A 61 37.953 29.195 35.725 1.00 23.81 N ATOM 649 CA SER A 61 37.363 29.310 34.368 1.00 26.21 C ATOM 650 C SER A 61 38.633 29.011 33.500 1.00 24.98 C ATOM 651 O SER A 61 39.732 29.319 33.919 1.00 28.59 O ATOM 652 CB SER A 61 36.859 30.779 34.182 1.00 27.59 C ATOM 653 OG SER A 61 36.016 30.837 33.030 0.20 26.78 O ATOM 0 H SER A 61 38.417 29.875 35.972 1.00 23.81 H new ATOM 0 HA SER A 61 36.607 28.738 34.162 1.00 26.21 H new ATOM 0 HB2 SER A 61 36.372 31.069 34.969 1.00 27.59 H new ATOM 0 HB3 SER A 61 37.612 31.381 34.077 1.00 27.59 H new ATOM 0 HG SER A 61 35.740 31.623 32.924 0.20 26.78 H new ATOM 659 N GLY A 62 38.495 28.414 32.357 1.00 26.46 N ATOM 660 CA GLY A 62 39.697 28.147 31.509 1.00 27.36 C ATOM 661 C GLY A 62 40.554 26.976 31.955 1.00 27.26 C ATOM 662 O GLY A 62 41.759 27.113 32.071 1.00 31.27 O ATOM 0 H GLY A 62 37.747 28.147 32.028 1.00 26.46 H new ATOM 0 HA2 GLY A 62 39.404 27.987 30.598 1.00 27.36 H new ATOM 0 HA3 GLY A 62 40.248 28.945 31.493 1.00 27.36 H new ATOM 666 N ILE A 63 39.932 25.864 32.180 1.00 24.10 N ATOM 667 CA ILE A 63 40.679 24.648 32.625 1.00 22.27 C ATOM 668 C ILE A 63 40.907 23.675 31.447 1.00 18.79 C ATOM 669 O ILE A 63 40.045 23.471 30.606 1.00 17.70 O ATOM 670 CB ILE A 63 39.849 23.894 33.740 1.00 23.29 C ATOM 671 CG1 ILE A 63 39.648 24.815 35.021 1.00 26.16 C ATOM 672 CG2 ILE A 63 40.519 22.551 34.153 1.00 24.79 C ATOM 673 CD1 ILE A 63 38.665 24.165 36.066 1.00 26.54 C ATOM 0 H ILE A 63 39.083 25.755 32.092 1.00 24.10 H new ATOM 0 HA ILE A 63 41.538 24.935 32.973 1.00 22.27 H new ATOM 0 HB ILE A 63 38.981 23.692 33.357 1.00 23.29 H new ATOM 0 HG12 ILE A 63 40.507 24.974 35.442 1.00 26.16 H new ATOM 0 HG13 ILE A 63 39.302 25.679 34.746 1.00 26.16 H new ATOM 0 HG21 ILE A 63 39.983 22.119 34.836 1.00 24.79 H new ATOM 0 HG22 ILE A 63 40.585 21.970 33.379 1.00 24.79 H new ATOM 0 HG23 ILE A 63 41.407 22.726 34.502 1.00 24.79 H new ATOM 0 HD11 ILE A 63 38.569 24.755 36.830 1.00 26.54 H new ATOM 0 HD12 ILE A 63 37.798 24.027 35.653 1.00 26.54 H new ATOM 0 HD13 ILE A 63 39.022 23.312 36.359 1.00 26.54 H new ATOM 685 N GLN A 64 42.082 23.107 31.448 1.00 16.21 N ATOM 686 CA GLN A 64 42.461 22.122 30.430 1.00 15.55 C ATOM 687 C GLN A 64 42.746 20.912 31.369 1.00 15.65 C ATOM 688 O GLN A 64 43.403 20.996 32.401 1.00 14.05 O ATOM 689 CB GLN A 64 43.725 22.502 29.658 1.00 14.36 C ATOM 690 CG GLN A 64 44.038 21.365 28.683 1.00 15.89 C ATOM 691 CD GLN A 64 45.383 21.681 28.017 1.00 17.53 C ATOM 692 OE1 GLN A 64 46.404 21.842 28.651 1.00 19.23 O ATOM 693 NE2 GLN A 64 45.446 21.779 26.745 1.00 18.43 N ATOM 0 H GLN A 64 42.694 23.270 32.030 1.00 16.21 H new ATOM 0 HA GLN A 64 41.799 21.996 29.732 1.00 15.55 H new ATOM 0 HB2 GLN A 64 43.593 23.334 29.178 1.00 14.36 H new ATOM 0 HB3 GLN A 64 44.467 22.641 30.268 1.00 14.36 H new ATOM 0 HG2 GLN A 64 44.081 20.517 29.151 1.00 15.89 H new ATOM 0 HG3 GLN A 64 43.338 21.286 28.016 1.00 15.89 H new ATOM 0 HE21 GLN A 64 44.738 21.670 26.270 1.00 18.43 H new ATOM 0 HE22 GLN A 64 46.197 21.954 26.364 1.00 18.43 H new ATOM 702 N VAL A 65 42.225 19.801 30.958 1.00 15.16 N ATOM 703 CA VAL A 65 42.375 18.542 31.710 1.00 15.30 C ATOM 704 C VAL A 65 43.511 17.762 31.025 1.00 15.32 C ATOM 705 O VAL A 65 43.498 17.580 29.810 1.00 15.81 O ATOM 706 CB VAL A 65 41.030 17.774 31.631 1.00 13.60 C ATOM 707 CG1 VAL A 65 41.164 16.456 32.423 1.00 17.51 C ATOM 708 CG2 VAL A 65 39.893 18.616 32.270 1.00 12.83 C ATOM 0 H VAL A 65 41.767 19.727 30.234 1.00 15.16 H new ATOM 0 HA VAL A 65 42.590 18.680 32.646 1.00 15.30 H new ATOM 0 HB VAL A 65 40.819 17.599 30.701 1.00 13.60 H new ATOM 0 HG11 VAL A 65 40.328 15.966 32.381 1.00 17.51 H new ATOM 0 HG12 VAL A 65 41.873 15.918 32.038 1.00 17.51 H new ATOM 0 HG13 VAL A 65 41.375 16.655 33.349 1.00 17.51 H new ATOM 0 HG21 VAL A 65 39.057 18.126 32.215 1.00 12.83 H new ATOM 0 HG22 VAL A 65 40.104 18.792 33.200 1.00 12.83 H new ATOM 0 HG23 VAL A 65 39.806 19.457 31.794 1.00 12.83 H new ATOM 718 N ARG A 66 44.443 17.337 31.824 1.00 12.68 N ATOM 719 CA ARG A 66 45.599 16.568 31.282 1.00 16.03 C ATOM 720 C ARG A 66 45.545 15.172 31.944 1.00 16.18 C ATOM 721 O ARG A 66 45.653 15.034 33.163 1.00 14.72 O ATOM 722 CB ARG A 66 46.931 17.284 31.624 1.00 15.34 C ATOM 723 CG ARG A 66 46.972 18.675 30.907 1.00 17.02 C ATOM 724 CD ARG A 66 48.315 19.418 31.109 1.00 17.37 C ATOM 725 NE ARG A 66 48.331 20.640 30.254 1.00 17.16 N ATOM 726 CZ ARG A 66 49.396 20.968 29.579 1.00 17.87 C ATOM 727 NH1 ARG A 66 50.550 20.454 29.890 1.00 16.53 N ATOM 728 NH2 ARG A 66 49.267 21.805 28.591 1.00 20.49 N ATOM 0 H ARG A 66 44.455 17.464 32.674 1.00 12.68 H new ATOM 0 HA ARG A 66 45.553 16.497 30.316 1.00 16.03 H new ATOM 0 HB2 ARG A 66 47.010 17.401 32.584 1.00 15.34 H new ATOM 0 HB3 ARG A 66 47.684 16.741 31.342 1.00 15.34 H new ATOM 0 HG2 ARG A 66 46.817 18.549 29.958 1.00 17.02 H new ATOM 0 HG3 ARG A 66 46.248 19.228 31.242 1.00 17.02 H new ATOM 0 HD2 ARG A 66 48.426 19.661 32.042 1.00 17.37 H new ATOM 0 HD3 ARG A 66 49.057 18.838 30.877 1.00 17.37 H new ATOM 0 HE ARG A 66 47.629 21.134 30.206 1.00 17.16 H new ATOM 0 HH11 ARG A 66 50.611 19.897 30.542 1.00 16.53 H new ATOM 0 HH12 ARG A 66 51.252 20.672 29.443 1.00 16.53 H new ATOM 0 HH21 ARG A 66 48.493 22.127 28.398 1.00 20.49 H new ATOM 0 HH22 ARG A 66 49.956 22.037 28.131 1.00 20.49 H new ATOM 742 N LEU A 67 45.376 14.260 31.023 1.00 17.02 N ATOM 743 CA LEU A 67 45.276 12.791 31.269 1.00 18.25 C ATOM 744 C LEU A 67 46.639 12.107 30.834 1.00 18.47 C ATOM 745 O LEU A 67 47.379 12.616 30.011 1.00 19.04 O ATOM 746 CB ALEU A 67 44.160 12.164 30.381 0.56 19.22 C ATOM 747 CB BLEU A 67 44.133 12.163 30.413 0.41 17.76 C ATOM 748 CG ALEU A 67 42.817 12.959 30.391 0.56 20.53 C ATOM 749 CG BLEU A 67 42.717 12.820 30.627 0.41 18.54 C ATOM 750 CD1ALEU A 67 41.878 12.410 29.291 0.56 21.21 C ATOM 751 CD1BLEU A 67 42.548 14.144 29.808 0.41 19.11 C ATOM 752 CD2ALEU A 67 42.153 12.793 31.772 0.56 20.62 C ATOM 753 CD2BLEU A 67 41.633 11.811 30.172 0.41 19.38 C ATOM 0 H LEU A 67 45.310 14.461 30.189 1.00 17.02 H new ATOM 0 HA LEU A 67 45.080 12.651 32.209 1.00 18.25 H new ATOM 0 HB2ALEU A 67 44.482 12.103 29.468 0.56 17.76 H new ATOM 0 HB2BLEU A 67 44.371 12.234 29.475 0.41 17.76 H new ATOM 0 HB3ALEU A 67 43.991 11.258 30.683 0.56 17.76 H new ATOM 0 HB3BLEU A 67 44.072 11.217 30.620 0.41 17.76 H new ATOM 0 HG ALEU A 67 42.988 13.898 30.219 0.56 18.54 H new ATOM 0 HG BLEU A 67 42.627 13.040 31.567 0.41 18.54 H new ATOM 0 HD11ALEU A 67 41.044 12.906 29.300 0.56 19.11 H new ATOM 0 HD11BLEU A 67 41.666 14.514 29.968 0.41 19.11 H new ATOM 0 HD12ALEU A 67 42.303 12.508 28.424 0.56 19.11 H new ATOM 0 HD12BLEU A 67 43.222 14.784 30.085 0.41 19.11 H new ATOM 0 HD13ALEU A 67 41.697 11.472 29.458 0.56 19.11 H new ATOM 0 HD13BLEU A 67 42.652 13.955 28.862 0.41 19.11 H new ATOM 0 HD21ALEU A 67 41.316 13.283 31.790 0.56 19.38 H new ATOM 0 HD21BLEU A 67 40.754 12.201 30.298 0.41 19.38 H new ATOM 0 HD22ALEU A 67 41.980 11.853 31.937 0.56 19.38 H new ATOM 0 HD22BLEU A 67 41.761 11.599 29.234 0.41 19.38 H new ATOM 0 HD23ALEU A 67 42.744 13.138 32.459 0.56 19.38 H new ATOM 0 HD23BLEU A 67 41.704 11.000 30.699 0.41 19.38 H new ATOM 774 N GLY A 69 46.905 10.963 31.402 1.00 18.40 N ATOM 775 CA GLY A 69 48.123 10.134 31.122 1.00 16.92 C ATOM 776 C GLY A 69 49.429 10.730 31.521 1.00 16.28 C ATOM 777 O GLY A 69 50.471 10.405 30.972 1.00 18.25 O ATOM 0 H GLY A 69 46.384 10.607 31.986 1.00 18.40 H new ATOM 0 HA2 GLY A 69 48.024 9.283 31.577 1.00 16.92 H new ATOM 0 HA3 GLY A 69 48.152 9.945 30.171 1.00 16.92 H new ATOM 781 N GLU A 70 49.331 11.576 32.488 1.00 17.26 N ATOM 782 CA GLU A 70 50.509 12.268 33.006 1.00 16.42 C ATOM 783 C GLU A 70 51.262 11.581 34.096 1.00 19.68 C ATOM 784 O GLU A 70 50.686 10.854 34.873 1.00 20.10 O ATOM 785 CB GLU A 70 50.141 13.648 33.650 1.00 16.18 C ATOM 786 CG GLU A 70 49.666 14.699 32.649 1.00 16.15 C ATOM 787 CD GLU A 70 50.918 15.351 31.995 1.00 18.94 C ATOM 788 OE1 GLU A 70 51.924 14.675 32.023 1.00 17.04 O ATOM 789 OE2 GLU A 70 50.839 16.460 31.496 1.00 19.52 O ATOM 0 H GLU A 70 48.593 11.782 32.878 1.00 17.26 H new ATOM 0 HA GLU A 70 51.055 12.322 32.206 1.00 16.42 H new ATOM 0 HB2 GLU A 70 49.446 13.509 34.312 1.00 16.18 H new ATOM 0 HB3 GLU A 70 50.917 13.991 34.120 1.00 16.18 H new ATOM 0 HG2 GLU A 70 49.105 14.291 31.971 1.00 16.15 H new ATOM 0 HG3 GLU A 70 49.129 15.372 33.095 1.00 16.15 H new ATOM 796 N ASP A 71 52.546 11.839 34.099 1.00 18.92 N ATOM 797 CA ASP A 71 53.389 11.270 35.185 1.00 19.13 C ATOM 798 C ASP A 71 54.193 12.551 35.488 1.00 18.29 C ATOM 799 O ASP A 71 53.896 13.242 36.439 1.00 17.72 O ATOM 800 CB ASP A 71 54.366 10.086 34.807 1.00 16.42 C ATOM 801 CG ASP A 71 55.039 9.708 36.145 1.00 17.87 C ATOM 802 OD1 ASP A 71 54.404 9.701 37.179 1.00 19.30 O ATOM 803 OD2 ASP A 71 56.211 9.428 36.097 1.00 20.86 O ATOM 0 H ASP A 71 52.959 12.319 33.517 1.00 18.92 H new ATOM 0 HA ASP A 71 52.869 10.848 35.887 1.00 19.13 H new ATOM 0 HB2 ASP A 71 53.883 9.335 34.429 1.00 16.42 H new ATOM 0 HB3 ASP A 71 55.020 10.364 34.147 1.00 16.42 H new ATOM 808 N ASN A 72 55.167 12.868 34.676 1.00 17.30 N ATOM 809 CA ASN A 72 55.974 14.097 34.909 1.00 16.27 C ATOM 810 C ASN A 72 55.126 15.208 34.283 1.00 14.01 C ATOM 811 O ASN A 72 54.903 15.167 33.069 1.00 12.88 O ATOM 812 CB ASN A 72 57.343 13.993 34.189 1.00 18.23 C ATOM 813 CG ASN A 72 58.157 15.215 34.587 1.00 20.67 C ATOM 814 OD1 ASN A 72 57.675 16.329 34.491 1.00 19.87 O ATOM 815 ND2 ASN A 72 59.374 15.072 35.034 1.00 21.59 N ATOM 0 H ASN A 72 55.396 12.409 33.986 1.00 17.30 H new ATOM 0 HA ASN A 72 56.168 14.249 35.847 1.00 16.27 H new ATOM 0 HB2 ASN A 72 57.803 13.178 34.444 1.00 18.23 H new ATOM 0 HB3 ASN A 72 57.222 13.961 33.227 1.00 18.23 H new ATOM 0 HD21 ASN A 72 59.833 15.763 35.260 1.00 21.59 H new ATOM 0 HD22 ASN A 72 59.717 14.286 35.103 1.00 21.59 H new ATOM 822 N ILE A 73 54.661 16.164 35.005 1.00 13.48 N ATOM 823 CA ILE A 73 53.814 17.244 34.385 1.00 16.66 C ATOM 824 C ILE A 73 54.568 18.329 33.670 1.00 15.80 C ATOM 825 O ILE A 73 53.932 19.193 33.116 1.00 16.69 O ATOM 826 CB ILE A 73 52.911 17.885 35.479 1.00 17.73 C ATOM 827 CG1 ILE A 73 53.779 18.305 36.684 1.00 18.28 C ATOM 828 CG2 ILE A 73 51.788 16.864 35.911 1.00 19.83 C ATOM 829 CD1 ILE A 73 52.922 19.120 37.663 1.00 20.17 C ATOM 0 H ILE A 73 54.796 16.248 35.850 1.00 13.48 H new ATOM 0 HA ILE A 73 53.294 16.796 33.699 1.00 16.66 H new ATOM 0 HB ILE A 73 52.477 18.677 35.125 1.00 17.73 H new ATOM 0 HG12 ILE A 73 54.138 17.520 37.127 1.00 18.28 H new ATOM 0 HG13 ILE A 73 54.536 18.832 36.383 1.00 18.28 H new ATOM 0 HG21 ILE A 73 51.228 17.268 36.593 1.00 19.83 H new ATOM 0 HG22 ILE A 73 51.245 16.635 35.141 1.00 19.83 H new ATOM 0 HG23 ILE A 73 52.200 16.061 36.266 1.00 19.83 H new ATOM 0 HD11 ILE A 73 53.463 19.387 38.423 1.00 20.17 H new ATOM 0 HD12 ILE A 73 52.582 19.911 37.215 1.00 20.17 H new ATOM 0 HD13 ILE A 73 52.178 18.578 37.971 1.00 20.17 H new ATOM 841 N ASN A 74 55.864 18.246 33.691 1.00 15.52 N ATOM 842 CA ASN A 74 56.691 19.271 32.997 1.00 16.09 C ATOM 843 C ASN A 74 57.322 18.689 31.766 1.00 16.51 C ATOM 844 O ASN A 74 57.990 19.426 31.065 1.00 20.84 O ATOM 845 CB ASN A 74 57.836 19.792 33.895 1.00 15.35 C ATOM 846 CG ASN A 74 57.336 20.927 34.757 1.00 15.50 C ATOM 847 OD1 ASN A 74 56.611 21.802 34.327 1.00 15.21 O ATOM 848 ND2 ASN A 74 57.690 20.986 36.002 1.00 18.45 N ATOM 0 H ASN A 74 56.309 17.625 34.087 1.00 15.52 H new ATOM 0 HA ASN A 74 56.093 20.001 32.773 1.00 16.09 H new ATOM 0 HB2 ASN A 74 58.172 19.074 34.454 1.00 15.35 H new ATOM 0 HB3 ASN A 74 58.577 20.094 33.346 1.00 15.35 H new ATOM 0 HD21 ASN A 74 57.412 21.631 36.498 1.00 18.45 H new ATOM 0 HD22 ASN A 74 58.203 20.380 36.332 1.00 18.45 H new ATOM 855 N VAL A 75 57.124 17.403 31.543 1.00 15.80 N ATOM 856 CA VAL A 75 57.724 16.763 30.323 1.00 15.59 C ATOM 857 C VAL A 75 56.720 15.999 29.518 1.00 15.94 C ATOM 858 O VAL A 75 56.013 15.211 30.109 1.00 15.96 O ATOM 859 CB VAL A 75 58.855 15.755 30.719 1.00 17.09 C ATOM 860 CG1 VAL A 75 59.487 15.144 29.410 1.00 17.30 C ATOM 861 CG2 VAL A 75 59.962 16.427 31.587 1.00 15.89 C ATOM 0 H VAL A 75 56.667 16.878 32.049 1.00 15.80 H new ATOM 0 HA VAL A 75 58.074 17.496 29.793 1.00 15.59 H new ATOM 0 HB VAL A 75 58.458 15.052 31.257 1.00 17.09 H new ATOM 0 HG11 VAL A 75 60.188 14.519 29.651 1.00 17.30 H new ATOM 0 HG12 VAL A 75 58.801 14.681 28.905 1.00 17.30 H new ATOM 0 HG13 VAL A 75 59.861 15.856 28.868 1.00 17.30 H new ATOM 0 HG21 VAL A 75 60.641 15.771 31.810 1.00 15.89 H new ATOM 0 HG22 VAL A 75 60.367 17.154 31.089 1.00 15.89 H new ATOM 0 HG23 VAL A 75 59.568 16.774 32.403 1.00 15.89 H new ATOM 871 N VAL A 76 56.602 16.143 28.246 1.00 16.24 N ATOM 872 CA VAL A 76 55.613 15.362 27.479 1.00 20.51 C ATOM 873 C VAL A 76 56.348 14.003 27.281 1.00 22.59 C ATOM 874 O VAL A 76 57.308 13.931 26.543 1.00 20.55 O ATOM 875 CB VAL A 76 55.349 16.055 26.145 1.00 21.80 C ATOM 876 CG1 VAL A 76 54.353 15.188 25.280 1.00 24.48 C ATOM 877 CG2 VAL A 76 54.721 17.434 26.464 1.00 20.53 C ATOM 0 H VAL A 76 57.075 16.685 27.775 1.00 16.24 H new ATOM 0 HA VAL A 76 54.749 15.263 27.908 1.00 20.51 H new ATOM 0 HB VAL A 76 56.170 16.162 25.639 1.00 21.80 H new ATOM 0 HG11 VAL A 76 54.188 15.632 24.434 1.00 24.48 H new ATOM 0 HG12 VAL A 76 54.742 14.315 25.116 1.00 24.48 H new ATOM 0 HG13 VAL A 76 53.516 15.084 25.758 1.00 24.48 H new ATOM 0 HG21 VAL A 76 54.538 17.906 25.636 1.00 20.53 H new ATOM 0 HG22 VAL A 76 53.893 17.307 26.953 1.00 20.53 H new ATOM 0 HG23 VAL A 76 55.338 17.954 27.003 1.00 20.53 H new ATOM 887 N GLU A 77 55.867 12.968 27.937 1.00 21.35 N ATOM 888 CA GLU A 77 56.497 11.630 27.841 1.00 23.25 C ATOM 889 C GLU A 77 55.849 10.754 26.794 1.00 25.30 C ATOM 890 O GLU A 77 56.284 9.640 26.606 1.00 27.45 O ATOM 891 CB GLU A 77 56.430 10.973 29.240 1.00 23.14 C ATOM 892 CG GLU A 77 57.282 11.863 30.183 1.00 23.56 C ATOM 893 CD GLU A 77 57.391 11.358 31.645 1.00 25.76 C ATOM 894 OE1 GLU A 77 56.439 11.473 32.386 1.00 22.18 O ATOM 895 OE2 GLU A 77 58.455 10.869 31.973 1.00 29.40 O ATOM 0 H GLU A 77 55.176 13.001 28.448 1.00 21.35 H new ATOM 0 HA GLU A 77 57.419 11.734 27.557 1.00 23.25 H new ATOM 0 HB2 GLU A 77 55.513 10.917 29.552 1.00 23.14 H new ATOM 0 HB3 GLU A 77 56.776 10.067 29.213 1.00 23.14 H new ATOM 0 HG2 GLU A 77 58.176 11.938 29.814 1.00 23.56 H new ATOM 0 HG3 GLU A 77 56.903 12.756 30.192 1.00 23.56 H new ATOM 902 N GLY A 78 54.837 11.245 26.142 1.00 25.61 N ATOM 903 CA GLY A 78 54.205 10.406 25.104 1.00 25.24 C ATOM 904 C GLY A 78 52.861 9.852 25.460 1.00 27.56 C ATOM 905 O GLY A 78 52.131 9.544 24.545 1.00 30.27 O ATOM 0 H GLY A 78 54.494 12.025 26.259 1.00 25.61 H new ATOM 0 HA2 GLY A 78 54.117 10.931 24.293 1.00 25.24 H new ATOM 0 HA3 GLY A 78 54.799 9.667 24.900 1.00 25.24 H new ATOM 909 N ASN A 79 52.517 9.732 26.713 1.00 24.29 N ATOM 910 CA ASN A 79 51.158 9.154 27.011 1.00 26.83 C ATOM 911 C ASN A 79 50.118 10.159 27.423 1.00 25.04 C ATOM 912 O ASN A 79 49.142 9.770 28.038 1.00 27.63 O ATOM 913 CB ASN A 79 51.280 8.120 28.150 1.00 28.27 C ATOM 914 CG ASN A 79 52.214 7.050 27.612 1.00 31.01 C ATOM 915 OD1 ASN A 79 51.867 6.310 26.715 1.00 33.18 O ATOM 916 ND2 ASN A 79 53.403 6.920 28.101 1.00 31.18 N ATOM 0 H ASN A 79 52.995 9.953 27.393 1.00 24.29 H new ATOM 0 HA ASN A 79 50.861 8.762 26.175 1.00 26.83 H new ATOM 0 HB2 ASN A 79 51.637 8.525 28.955 1.00 28.27 H new ATOM 0 HB3 ASN A 79 50.415 7.747 28.380 1.00 28.27 H new ATOM 0 HD21 ASN A 79 53.932 6.317 27.790 1.00 31.18 H new ATOM 0 HD22 ASN A 79 53.665 7.436 28.737 1.00 31.18 H new ATOM 923 N GLU A 80 50.277 11.395 27.076 1.00 22.99 N ATOM 924 CA GLU A 80 49.246 12.371 27.527 1.00 20.45 C ATOM 925 C GLU A 80 48.165 12.717 26.559 1.00 19.52 C ATOM 926 O GLU A 80 48.340 12.511 25.387 1.00 17.93 O ATOM 927 CB GLU A 80 49.870 13.724 27.894 1.00 19.05 C ATOM 928 CG GLU A 80 51.016 13.638 28.926 1.00 18.54 C ATOM 929 CD GLU A 80 52.435 13.412 28.307 1.00 18.19 C ATOM 930 OE1 GLU A 80 52.630 12.879 27.238 1.00 18.91 O ATOM 931 OE2 GLU A 80 53.333 13.808 28.988 1.00 16.38 O ATOM 0 H GLU A 80 50.925 11.711 26.607 1.00 22.99 H new ATOM 0 HA GLU A 80 48.854 11.891 28.273 1.00 20.45 H new ATOM 0 HB2 GLU A 80 50.207 14.142 27.086 1.00 19.05 H new ATOM 0 HB3 GLU A 80 49.176 14.304 28.245 1.00 19.05 H new ATOM 0 HG2 GLU A 80 51.030 14.457 29.446 1.00 18.54 H new ATOM 0 HG3 GLU A 80 50.826 12.914 29.543 1.00 18.54 H new ATOM 938 N GLN A 81 47.087 13.220 27.114 1.00 17.65 N ATOM 939 CA GLN A 81 45.906 13.679 26.345 1.00 17.34 C ATOM 940 C GLN A 81 45.577 14.999 27.102 1.00 16.99 C ATOM 941 O GLN A 81 45.369 14.996 28.305 1.00 14.23 O ATOM 942 CB GLN A 81 44.701 12.742 26.428 1.00 17.15 C ATOM 943 CG GLN A 81 44.992 11.439 25.676 1.00 18.77 C ATOM 944 CD GLN A 81 43.791 10.499 25.821 1.00 21.26 C ATOM 945 OE1 GLN A 81 42.664 10.865 25.531 1.00 22.38 O ATOM 946 NE2 GLN A 81 43.986 9.295 26.262 1.00 22.08 N ATOM 0 H GLN A 81 47.000 13.315 27.964 1.00 17.65 H new ATOM 0 HA GLN A 81 46.088 13.746 25.395 1.00 17.34 H new ATOM 0 HB2 GLN A 81 44.496 12.549 27.356 1.00 17.15 H new ATOM 0 HB3 GLN A 81 43.920 13.174 26.049 1.00 17.15 H new ATOM 0 HG2 GLN A 81 45.161 11.624 24.739 1.00 18.77 H new ATOM 0 HG3 GLN A 81 45.791 11.019 26.031 1.00 18.77 H new ATOM 0 HE21 GLN A 81 44.780 9.035 26.467 1.00 22.08 H new ATOM 0 HE22 GLN A 81 43.321 8.756 26.350 1.00 22.08 H new ATOM 955 N PHE A 82 45.554 16.087 26.384 1.00 15.15 N ATOM 956 CA PHE A 82 45.257 17.433 26.958 1.00 18.91 C ATOM 957 C PHE A 82 43.908 17.770 26.322 1.00 19.51 C ATOM 958 O PHE A 82 43.849 17.852 25.102 1.00 20.89 O ATOM 959 CB PHE A 82 46.359 18.407 26.514 1.00 21.40 C ATOM 960 CG PHE A 82 47.746 18.066 27.118 1.00 22.26 C ATOM 961 CD1 PHE A 82 48.858 18.675 26.593 1.00 23.72 C ATOM 962 CD2 PHE A 82 47.918 17.189 28.176 1.00 23.52 C ATOM 963 CE1 PHE A 82 50.104 18.415 27.113 1.00 23.77 C ATOM 964 CE2 PHE A 82 49.154 16.931 28.694 1.00 23.87 C ATOM 965 CZ PHE A 82 50.254 17.545 28.163 1.00 24.14 C ATOM 0 H PHE A 82 45.708 16.097 25.538 1.00 15.15 H new ATOM 0 HA PHE A 82 45.227 17.475 27.927 1.00 18.91 H new ATOM 0 HB2 PHE A 82 46.422 18.397 25.546 1.00 21.40 H new ATOM 0 HB3 PHE A 82 46.111 19.308 26.773 1.00 21.40 H new ATOM 0 HD1 PHE A 82 48.768 19.267 25.881 1.00 23.72 H new ATOM 0 HD2 PHE A 82 47.175 16.766 28.542 1.00 23.52 H new ATOM 0 HE1 PHE A 82 50.851 18.832 26.750 1.00 23.77 H new ATOM 0 HE2 PHE A 82 49.248 16.340 29.406 1.00 23.87 H new ATOM 0 HZ PHE A 82 51.099 17.374 28.512 1.00 24.14 H new ATOM 975 N ILE A 83 42.883 17.940 27.118 1.00 17.02 N ATOM 976 CA ILE A 83 41.527 18.254 26.588 1.00 17.81 C ATOM 977 C ILE A 83 40.901 19.394 27.381 1.00 16.70 C ATOM 978 O ILE A 83 40.906 19.372 28.604 1.00 15.28 O ATOM 979 CB ILE A 83 40.645 16.962 26.703 1.00 18.61 C ATOM 980 CG1 ILE A 83 41.375 15.754 26.028 1.00 20.10 C ATOM 981 CG2 ILE A 83 39.259 17.215 26.009 1.00 19.64 C ATOM 982 CD1 ILE A 83 40.738 14.460 26.457 1.00 20.25 C ATOM 0 H ILE A 83 42.925 17.883 27.975 1.00 17.02 H new ATOM 0 HA ILE A 83 41.588 18.533 25.661 1.00 17.81 H new ATOM 0 HB ILE A 83 40.500 16.752 27.639 1.00 18.61 H new ATOM 0 HG12 ILE A 83 41.332 15.839 25.063 1.00 20.10 H new ATOM 0 HG13 ILE A 83 42.314 15.757 26.272 1.00 20.10 H new ATOM 0 HG21 ILE A 83 38.712 16.417 26.079 1.00 19.64 H new ATOM 0 HG22 ILE A 83 38.809 17.955 26.446 1.00 19.64 H new ATOM 0 HG23 ILE A 83 39.400 17.429 25.073 1.00 19.64 H new ATOM 0 HD11 ILE A 83 41.197 13.717 26.034 1.00 20.25 H new ATOM 0 HD12 ILE A 83 40.801 14.372 27.421 1.00 20.25 H new ATOM 0 HD13 ILE A 83 39.805 14.455 26.193 1.00 20.25 H new ATOM 994 N SER A 84 40.367 20.348 26.687 1.00 17.10 N ATOM 995 CA SER A 84 39.741 21.476 27.426 1.00 21.71 C ATOM 996 C SER A 84 38.362 21.055 27.956 1.00 19.77 C ATOM 997 O SER A 84 37.729 20.153 27.433 1.00 18.25 O ATOM 998 CB SER A 84 39.599 22.663 26.474 1.00 25.82 C ATOM 999 OG SER A 84 40.940 23.136 26.308 1.00 32.19 O ATOM 0 H SER A 84 40.339 20.393 25.829 1.00 17.10 H new ATOM 0 HA SER A 84 40.296 21.726 28.181 1.00 21.71 H new ATOM 0 HB2 SER A 84 39.210 22.395 25.627 1.00 25.82 H new ATOM 0 HB3 SER A 84 39.024 23.350 26.846 1.00 25.82 H new ATOM 0 HG SER A 84 40.942 23.796 25.789 1.00 32.19 H new ATOM 1005 N ALA A 85 37.958 21.756 28.985 1.00 19.13 N ATOM 1006 CA ALA A 85 36.646 21.482 29.624 1.00 18.75 C ATOM 1007 C ALA A 85 35.600 22.247 28.824 1.00 18.43 C ATOM 1008 O ALA A 85 35.915 23.329 28.375 1.00 18.80 O ATOM 1009 CB ALA A 85 36.654 21.999 31.061 1.00 19.55 C ATOM 0 H ALA A 85 38.408 22.395 29.344 1.00 19.13 H new ATOM 0 HA ALA A 85 36.459 20.530 29.638 1.00 18.75 H new ATOM 0 HB1 ALA A 85 35.796 21.818 31.475 1.00 19.55 H new ATOM 0 HB2 ALA A 85 37.354 21.552 31.562 1.00 19.55 H new ATOM 0 HB3 ALA A 85 36.817 22.955 31.060 1.00 19.55 H new ATOM 1015 N SER A 86 34.423 21.709 28.660 1.00 18.22 N ATOM 1016 CA SER A 86 33.345 22.410 27.897 1.00 18.21 C ATOM 1017 C SER A 86 32.424 23.070 28.961 1.00 17.49 C ATOM 1018 O SER A 86 31.776 24.066 28.667 1.00 16.13 O ATOM 1019 CB SER A 86 32.554 21.390 27.003 1.00 19.37 C ATOM 1020 OG SER A 86 32.120 20.318 27.829 1.00 22.68 O ATOM 0 H SER A 86 34.198 20.939 28.971 1.00 18.22 H new ATOM 0 HA SER A 86 33.707 23.079 27.294 1.00 18.21 H new ATOM 0 HB2 SER A 86 31.794 21.825 26.586 1.00 19.37 H new ATOM 0 HB3 SER A 86 33.119 21.058 26.288 1.00 19.37 H new ATOM 0 HG SER A 86 31.693 19.762 27.366 1.00 22.68 H new ATOM 1026 N LYS A 87 32.334 22.487 30.129 1.00 16.59 N ATOM 1027 CA LYS A 87 31.492 22.963 31.264 1.00 16.44 C ATOM 1028 C LYS A 87 31.960 22.431 32.621 1.00 17.20 C ATOM 1029 O LYS A 87 32.490 21.349 32.687 1.00 16.73 O ATOM 1030 CB ALYS A 87 29.979 22.574 31.083 0.64 18.48 C ATOM 1031 CB BLYS A 87 30.003 22.519 30.979 0.32 16.28 C ATOM 1032 CG ALYS A 87 29.573 21.112 31.135 0.64 20.14 C ATOM 1033 CG BLYS A 87 29.029 22.791 32.158 0.32 16.12 C ATOM 1034 CD ALYS A 87 28.072 21.068 30.663 0.64 20.53 C ATOM 1035 CD BLYS A 87 27.574 22.947 31.670 0.32 18.45 C ATOM 1036 CE ALYS A 87 27.130 22.117 31.423 0.64 22.39 C ATOM 1037 CE BLYS A 87 27.100 21.869 30.673 0.32 21.38 C ATOM 1038 NZ ALYS A 87 25.736 22.121 30.849 0.64 24.57 N ATOM 1039 NZ BLYS A 87 25.638 22.072 30.400 0.32 23.76 N ATOM 0 H LYS A 87 32.770 21.770 30.317 1.00 16.59 H new ATOM 0 HA LYS A 87 31.589 23.928 31.253 1.00 16.44 H new ATOM 0 HB2ALYS A 87 29.475 23.040 31.768 0.64 16.28 H new ATOM 0 HB2BLYS A 87 29.681 22.984 30.191 0.32 16.28 H new ATOM 0 HB3ALYS A 87 29.688 22.926 30.227 0.64 16.28 H new ATOM 0 HB3BLYS A 87 29.991 21.571 30.773 0.32 16.28 H new ATOM 0 HG2ALYS A 87 30.136 20.574 30.557 0.64 16.12 H new ATOM 0 HG2BLYS A 87 29.081 22.062 32.796 0.32 16.12 H new ATOM 0 HG3ALYS A 87 29.666 20.756 32.033 0.64 16.12 H new ATOM 0 HG3BLYS A 87 29.302 23.596 32.625 0.32 16.12 H new ATOM 0 HD2ALYS A 87 28.035 21.243 29.710 0.64 18.45 H new ATOM 0 HD2BLYS A 87 26.986 22.936 32.441 0.32 18.45 H new ATOM 0 HD3ALYS A 87 27.724 20.173 30.800 0.64 18.45 H new ATOM 0 HD3BLYS A 87 27.479 23.818 31.253 0.32 18.45 H new ATOM 0 HE2ALYS A 87 27.092 21.896 32.367 0.64 21.38 H new ATOM 0 HE2BLYS A 87 27.607 21.928 29.848 0.32 21.38 H new ATOM 0 HE3ALYS A 87 27.512 23.006 31.355 0.64 21.38 H new ATOM 0 HE3BLYS A 87 27.254 20.983 31.038 0.32 21.38 H new ATOM 0 HZ1ALYS A 87 25.363 22.918 30.981 0.64 23.76 H new ATOM 0 HZ1BLYS A 87 25.473 21.921 29.539 0.32 23.76 H new ATOM 0 HZ2ALYS A 87 25.774 21.953 29.976 0.64 23.76 H new ATOM 0 HZ2BLYS A 87 25.162 21.507 30.897 0.32 23.76 H new ATOM 0 HZ3ALYS A 87 25.248 21.495 31.251 0.64 23.76 H new ATOM 0 HZ3BLYS A 87 25.411 22.908 30.603 0.32 23.76 H new ATOM 1064 N SER A 88 31.736 23.267 33.621 1.00 16.72 N ATOM 1065 CA SER A 88 32.075 22.875 35.025 1.00 17.40 C ATOM 1066 C SER A 88 30.771 23.051 35.828 1.00 15.50 C ATOM 1067 O SER A 88 30.043 23.995 35.563 1.00 17.92 O ATOM 1068 CB ASER A 88 33.203 23.806 35.548 0.31 16.16 C ATOM 1069 CB BSER A 88 33.124 23.806 35.627 0.69 18.03 C ATOM 1070 OG ASER A 88 33.687 23.146 36.713 0.31 17.30 O ATOM 1071 OG BSER A 88 34.306 23.443 34.936 0.69 16.54 O ATOM 0 H SER A 88 31.397 24.053 33.534 1.00 16.72 H new ATOM 0 HA SER A 88 32.398 21.964 35.100 1.00 17.40 H new ATOM 0 HB2ASER A 88 33.904 23.919 34.887 0.31 18.03 H new ATOM 0 HB2BSER A 88 32.899 24.739 35.487 0.69 18.03 H new ATOM 0 HB3ASER A 88 32.864 24.691 35.757 0.31 18.03 H new ATOM 0 HB3BSER A 88 33.213 23.676 36.584 0.69 18.03 H new ATOM 0 HG ASER A 88 33.877 23.716 37.300 0.31 16.54 H new ATOM 0 HG BSER A 88 34.946 23.915 35.208 0.69 16.54 H new ATOM 1080 N ILE A 89 30.526 22.170 36.759 1.00 13.66 N ATOM 1081 CA ILE A 89 29.325 22.224 37.599 1.00 13.05 C ATOM 1082 C ILE A 89 29.746 22.047 39.064 1.00 12.69 C ATOM 1083 O ILE A 89 30.135 20.963 39.454 1.00 12.94 O ATOM 1084 CB ILE A 89 28.358 21.102 37.181 1.00 13.79 C ATOM 1085 CG1 ILE A 89 28.002 21.297 35.695 1.00 16.22 C ATOM 1086 CG2 ILE A 89 27.093 21.223 38.051 1.00 16.34 C ATOM 1087 CD1 ILE A 89 27.252 20.079 35.132 1.00 20.28 C ATOM 0 H ILE A 89 31.048 21.510 36.937 1.00 13.66 H new ATOM 0 HA ILE A 89 28.875 23.077 37.492 1.00 13.05 H new ATOM 0 HB ILE A 89 28.756 20.226 37.301 1.00 13.79 H new ATOM 0 HG12 ILE A 89 27.454 22.091 35.594 1.00 16.22 H new ATOM 0 HG13 ILE A 89 28.813 21.444 35.183 1.00 16.22 H new ATOM 0 HG21 ILE A 89 26.465 20.525 37.807 1.00 16.34 H new ATOM 0 HG22 ILE A 89 27.333 21.129 38.986 1.00 16.34 H new ATOM 0 HG23 ILE A 89 26.684 22.091 37.908 1.00 16.34 H new ATOM 0 HD11 ILE A 89 27.042 20.232 34.197 1.00 20.28 H new ATOM 0 HD12 ILE A 89 27.810 19.289 35.213 1.00 20.28 H new ATOM 0 HD13 ILE A 89 26.430 19.946 35.630 1.00 20.28 H new ATOM 1099 N VAL A 90 29.646 23.110 39.814 1.00 13.76 N ATOM 1100 CA VAL A 90 30.003 23.069 41.239 1.00 12.82 C ATOM 1101 C VAL A 90 28.692 22.582 41.923 1.00 15.02 C ATOM 1102 O VAL A 90 27.582 22.930 41.536 1.00 16.34 O ATOM 1103 CB VAL A 90 30.392 24.478 41.676 1.00 13.59 C ATOM 1104 CG1 VAL A 90 30.423 24.588 43.180 1.00 14.00 C ATOM 1105 CG2 VAL A 90 31.741 24.845 41.084 1.00 15.26 C ATOM 0 H VAL A 90 29.374 23.876 39.534 1.00 13.76 H new ATOM 0 HA VAL A 90 30.752 22.493 41.459 1.00 12.82 H new ATOM 0 HB VAL A 90 29.724 25.100 41.348 1.00 13.59 H new ATOM 0 HG11 VAL A 90 30.672 25.491 43.434 1.00 14.00 H new ATOM 0 HG12 VAL A 90 29.545 24.383 43.538 1.00 14.00 H new ATOM 0 HG13 VAL A 90 31.072 23.962 43.537 1.00 14.00 H new ATOM 0 HG21 VAL A 90 31.985 25.741 41.364 1.00 15.26 H new ATOM 0 HG22 VAL A 90 32.412 24.216 41.393 1.00 15.26 H new ATOM 0 HG23 VAL A 90 31.690 24.812 40.116 1.00 15.26 H new ATOM 1115 N HIS A 91 28.870 21.783 42.925 1.00 12.83 N ATOM 1116 CA HIS A 91 27.701 21.250 43.658 1.00 15.14 C ATOM 1117 C HIS A 91 26.768 22.424 44.033 1.00 15.53 C ATOM 1118 O HIS A 91 27.270 23.419 44.519 1.00 14.49 O ATOM 1119 CB HIS A 91 28.200 20.551 44.932 1.00 15.67 C ATOM 1120 CG HIS A 91 27.057 19.784 45.595 1.00 16.56 C ATOM 1121 ND1 HIS A 91 26.317 20.231 46.554 1.00 19.35 N ATOM 1122 CD2 HIS A 91 26.571 18.513 45.327 1.00 16.91 C ATOM 1123 CE1 HIS A 91 25.435 19.332 46.871 1.00 17.32 C ATOM 1124 NE2 HIS A 91 25.564 18.257 46.134 1.00 16.56 N ATOM 0 H HIS A 91 29.636 21.522 43.216 1.00 12.83 H new ATOM 0 HA HIS A 91 27.213 20.616 43.109 1.00 15.14 H new ATOM 0 HB2 HIS A 91 28.923 19.942 44.713 1.00 15.67 H new ATOM 0 HB3 HIS A 91 28.559 21.207 45.550 1.00 15.67 H new ATOM 0 HD2 HIS A 91 26.904 17.934 44.680 1.00 16.91 H new ATOM 0 HE1 HIS A 91 24.794 19.438 47.536 1.00 17.32 H new ATOM 0 HE2 HIS A 91 25.092 17.539 46.170 1.00 16.56 H new ATOM 1132 N PRO A 92 25.480 22.310 43.838 1.00 14.31 N ATOM 1133 CA PRO A 92 24.518 23.382 44.210 1.00 15.04 C ATOM 1134 C PRO A 92 24.632 23.877 45.646 1.00 14.62 C ATOM 1135 O PRO A 92 24.319 25.011 45.928 1.00 17.46 O ATOM 1136 CB PRO A 92 23.148 22.785 43.902 1.00 16.60 C ATOM 1137 CG PRO A 92 23.400 21.270 43.943 1.00 18.62 C ATOM 1138 CD PRO A 92 24.766 21.147 43.256 1.00 16.49 C ATOM 0 HA PRO A 92 24.699 24.191 43.706 1.00 15.04 H new ATOM 0 HB2 PRO A 92 22.485 23.055 44.557 1.00 16.60 H new ATOM 0 HB3 PRO A 92 22.821 23.069 43.034 1.00 16.60 H new ATOM 0 HG2 PRO A 92 23.420 20.931 44.852 1.00 18.62 H new ATOM 0 HG3 PRO A 92 22.712 20.776 43.471 1.00 18.62 H new ATOM 0 HD2 PRO A 92 25.205 20.307 43.460 1.00 16.49 H new ATOM 0 HD3 PRO A 92 24.698 21.204 42.290 1.00 16.49 H new ATOM 1146 N SER A 93 25.062 23.017 46.526 1.00 13.99 N ATOM 1147 CA SER A 93 25.192 23.444 47.944 1.00 14.60 C ATOM 1148 C SER A 93 26.625 23.623 48.513 1.00 14.46 C ATOM 1149 O SER A 93 26.829 23.593 49.720 1.00 15.03 O ATOM 1150 CB SER A 93 24.405 22.416 48.828 1.00 19.64 C ATOM 1151 OG SER A 93 23.120 22.267 48.201 1.00 22.54 O ATOM 0 H SER A 93 25.284 22.203 46.359 1.00 13.99 H new ATOM 0 HA SER A 93 24.829 24.343 47.969 1.00 14.60 H new ATOM 0 HB2 SER A 93 24.871 21.567 48.873 1.00 19.64 H new ATOM 0 HB3 SER A 93 24.313 22.738 49.738 1.00 19.64 H new ATOM 0 HG SER A 93 22.656 21.721 48.639 1.00 22.54 H new ATOM 1157 N TYR A 94 27.566 23.812 47.640 1.00 14.33 N ATOM 1158 CA TYR A 94 28.964 24.007 48.076 1.00 14.15 C ATOM 1159 C TYR A 94 29.012 25.324 48.880 1.00 17.07 C ATOM 1160 O TYR A 94 28.492 26.349 48.458 1.00 16.79 O ATOM 1161 CB TYR A 94 29.859 24.130 46.861 1.00 13.66 C ATOM 1162 CG TYR A 94 31.289 24.602 47.242 1.00 13.93 C ATOM 1163 CD1 TYR A 94 31.791 25.779 46.722 1.00 14.82 C ATOM 1164 CD2 TYR A 94 32.100 23.848 48.092 1.00 15.12 C ATOM 1165 CE1 TYR A 94 33.067 26.192 47.035 1.00 15.46 C ATOM 1166 CE2 TYR A 94 33.368 24.268 48.400 1.00 13.55 C ATOM 1167 CZ TYR A 94 33.850 25.434 47.872 1.00 14.93 C ATOM 1168 OH TYR A 94 35.125 25.819 48.192 1.00 17.57 O ATOM 0 H TYR A 94 27.444 23.835 46.789 1.00 14.33 H new ATOM 0 HA TYR A 94 29.266 23.259 48.614 1.00 14.15 H new ATOM 0 HB2 TYR A 94 29.911 23.273 46.410 1.00 13.66 H new ATOM 0 HB3 TYR A 94 29.468 24.758 46.234 1.00 13.66 H new ATOM 0 HD1 TYR A 94 31.264 26.296 46.157 1.00 14.82 H new ATOM 0 HD2 TYR A 94 31.777 23.054 48.452 1.00 15.12 H new ATOM 0 HE1 TYR A 94 33.399 26.985 46.680 1.00 15.46 H new ATOM 0 HE2 TYR A 94 33.901 23.760 48.968 1.00 13.55 H new ATOM 0 HH TYR A 94 35.310 26.535 47.794 1.00 17.57 H new ATOM 1178 N ASN A 95 29.652 25.239 50.013 1.00 14.76 N ATOM 1179 CA ASN A 95 29.816 26.385 50.942 1.00 18.09 C ATOM 1180 C ASN A 95 31.333 26.667 50.991 1.00 16.66 C ATOM 1181 O ASN A 95 32.040 25.900 51.614 1.00 15.60 O ATOM 1182 CB ASN A 95 29.295 25.964 52.311 1.00 19.18 C ATOM 1183 CG ASN A 95 29.376 27.156 53.246 1.00 22.30 C ATOM 1184 OD1 ASN A 95 30.316 27.925 53.273 1.00 23.03 O ATOM 1185 ND2 ASN A 95 28.402 27.373 54.059 1.00 25.29 N ATOM 0 H ASN A 95 30.019 24.513 50.292 1.00 14.76 H new ATOM 0 HA ASN A 95 29.331 27.177 50.664 1.00 18.09 H new ATOM 0 HB2 ASN A 95 28.379 25.652 52.242 1.00 19.18 H new ATOM 0 HB3 ASN A 95 29.820 25.227 52.659 1.00 19.18 H new ATOM 0 HD21 ASN A 95 28.432 28.044 54.596 1.00 25.29 H new ATOM 0 HD22 ASN A 95 27.722 26.847 54.065 1.00 25.29 H new ATOM 1192 N SER A 96 31.803 27.731 50.381 1.00 16.22 N ATOM 1193 CA SER A 96 33.282 28.011 50.399 1.00 18.10 C ATOM 1194 C SER A 96 33.875 28.383 51.742 1.00 18.46 C ATOM 1195 O SER A 96 35.073 28.443 51.872 1.00 19.96 O ATOM 1196 CB SER A 96 33.614 29.143 49.387 1.00 16.89 C ATOM 1197 OG SER A 96 32.930 30.340 49.758 1.00 16.48 O ATOM 0 H SER A 96 31.325 28.306 49.955 1.00 16.22 H new ATOM 0 HA SER A 96 33.688 27.163 50.158 1.00 18.10 H new ATOM 0 HB2 SER A 96 34.571 29.300 49.368 1.00 16.89 H new ATOM 0 HB3 SER A 96 33.352 28.875 48.492 1.00 16.89 H new ATOM 0 HG SER A 96 33.113 30.949 49.210 1.00 16.48 H new ATOM 1203 N ASN A 97 33.053 28.611 52.707 1.00 19.88 N ATOM 1204 CA ASN A 97 33.589 28.987 54.049 1.00 23.22 C ATOM 1205 C ASN A 97 33.807 27.773 54.894 1.00 19.51 C ATOM 1206 O ASN A 97 34.764 27.754 55.639 1.00 21.81 O ATOM 1207 CB ASN A 97 32.606 29.926 54.793 1.00 28.37 C ATOM 1208 CG ASN A 97 32.674 31.323 54.156 1.00 32.73 C ATOM 1209 OD1 ASN A 97 31.683 32.009 54.050 1.00 37.87 O ATOM 1210 ND2 ASN A 97 33.791 31.819 53.709 1.00 35.35 N ATOM 0 H ASN A 97 32.196 28.566 52.649 1.00 19.88 H new ATOM 0 HA ASN A 97 34.433 29.443 53.903 1.00 23.22 H new ATOM 0 HB2 ASN A 97 31.703 29.576 54.739 1.00 28.37 H new ATOM 0 HB3 ASN A 97 32.836 29.975 55.734 1.00 28.37 H new ATOM 0 HD21 ASN A 97 33.803 32.603 53.357 1.00 35.35 H new ATOM 0 HD22 ASN A 97 34.518 31.362 53.766 1.00 35.35 H new ATOM 1217 N THR A 98 32.952 26.797 54.793 1.00 15.72 N ATOM 1218 CA THR A 98 33.102 25.543 55.609 1.00 16.72 C ATOM 1219 C THR A 98 33.661 24.350 54.801 1.00 15.39 C ATOM 1220 O THR A 98 34.115 23.365 55.364 1.00 16.57 O ATOM 1221 CB THR A 98 31.733 25.184 56.152 1.00 17.41 C ATOM 1222 OG1 THR A 98 30.915 24.986 54.997 1.00 18.29 O ATOM 1223 CG2 THR A 98 31.070 26.353 56.926 1.00 19.72 C ATOM 0 H THR A 98 32.269 26.805 54.271 1.00 15.72 H new ATOM 0 HA THR A 98 33.743 25.718 56.316 1.00 16.72 H new ATOM 0 HB THR A 98 31.819 24.423 56.748 1.00 17.41 H new ATOM 0 HG1 THR A 98 30.136 24.781 55.237 1.00 18.29 H new ATOM 0 HG21 THR A 98 30.200 26.074 57.252 1.00 19.72 H new ATOM 0 HG22 THR A 98 31.631 26.603 57.677 1.00 19.72 H new ATOM 0 HG23 THR A 98 30.964 27.114 56.334 1.00 19.72 H new ATOM 1231 N LEU A 99 33.572 24.510 53.510 1.00 16.03 N ATOM 1232 CA LEU A 99 34.002 23.558 52.447 1.00 17.82 C ATOM 1233 C LEU A 99 33.066 22.351 52.438 1.00 15.97 C ATOM 1234 O LEU A 99 33.399 21.261 51.988 1.00 14.27 O ATOM 1235 CB LEU A 99 35.469 23.076 52.646 1.00 19.02 C ATOM 1236 CG LEU A 99 36.489 24.164 52.216 1.00 23.73 C ATOM 1237 CD1 LEU A 99 37.787 23.459 51.756 1.00 26.41 C ATOM 1238 CD2 LEU A 99 36.000 25.067 51.072 1.00 24.95 C ATOM 0 H LEU A 99 33.235 25.227 53.176 1.00 16.03 H new ATOM 0 HA LEU A 99 33.960 24.026 51.599 1.00 17.82 H new ATOM 0 HB2 LEU A 99 35.612 22.847 53.578 1.00 19.02 H new ATOM 0 HB3 LEU A 99 35.618 22.269 52.129 1.00 19.02 H new ATOM 0 HG LEU A 99 36.626 24.738 52.986 1.00 23.73 H new ATOM 0 HD11 LEU A 99 38.438 24.125 51.483 1.00 26.41 H new ATOM 0 HD12 LEU A 99 38.148 22.936 52.489 1.00 26.41 H new ATOM 0 HD13 LEU A 99 37.590 22.874 51.008 1.00 26.41 H new ATOM 0 HD21 LEU A 99 36.686 25.719 50.858 1.00 24.95 H new ATOM 0 HD22 LEU A 99 35.814 24.526 50.289 1.00 24.95 H new ATOM 0 HD23 LEU A 99 35.191 25.527 51.346 1.00 24.95 H new ATOM 1250 N ASN A 100 31.880 22.569 52.933 1.00 13.17 N ATOM 1251 CA ASN A 100 30.912 21.436 52.939 1.00 13.16 C ATOM 1252 C ASN A 100 30.456 21.285 51.441 1.00 12.89 C ATOM 1253 O ASN A 100 30.260 22.279 50.764 1.00 13.99 O ATOM 1254 CB ASN A 100 29.754 21.810 53.876 1.00 14.07 C ATOM 1255 CG ASN A 100 28.773 20.647 54.080 1.00 15.86 C ATOM 1256 OD1 ASN A 100 29.093 19.462 54.049 1.00 18.58 O ATOM 1257 ND2 ASN A 100 27.537 20.937 54.311 1.00 16.19 N ATOM 0 H ASN A 100 31.598 23.312 53.261 1.00 13.17 H new ATOM 0 HA ASN A 100 31.277 20.596 53.259 1.00 13.16 H new ATOM 0 HB2 ASN A 100 30.111 22.084 54.735 1.00 14.07 H new ATOM 0 HB3 ASN A 100 29.278 22.572 53.511 1.00 14.07 H new ATOM 0 HD21 ASN A 100 26.964 20.308 54.438 1.00 16.19 H new ATOM 0 HD22 ASN A 100 27.286 21.759 54.338 1.00 16.19 H new ATOM 1264 N ASN A 101 30.308 20.075 50.969 1.00 13.49 N ATOM 1265 CA ASN A 101 29.888 19.712 49.576 1.00 12.95 C ATOM 1266 C ASN A 101 30.946 20.175 48.608 1.00 10.69 C ATOM 1267 O ASN A 101 30.713 20.751 47.558 1.00 11.64 O ATOM 1268 CB ASN A 101 28.531 20.364 49.184 1.00 14.85 C ATOM 1269 CG ASN A 101 27.435 19.961 50.177 1.00 15.70 C ATOM 1270 OD1 ASN A 101 27.104 18.810 50.357 1.00 14.35 O ATOM 1271 ND2 ASN A 101 26.827 20.866 50.860 1.00 14.63 N ATOM 0 H ASN A 101 30.451 19.381 51.457 1.00 13.49 H new ATOM 0 HA ASN A 101 29.779 18.749 49.542 1.00 12.95 H new ATOM 0 HB2 ASN A 101 28.622 21.330 49.169 1.00 14.85 H new ATOM 0 HB3 ASN A 101 28.281 20.089 48.288 1.00 14.85 H new ATOM 0 HD21 ASN A 101 26.212 20.643 51.418 1.00 14.63 H new ATOM 0 HD22 ASN A 101 27.036 21.694 50.758 1.00 14.63 H new ATOM 1278 N ASP A 102 32.148 19.888 48.979 1.00 13.23 N ATOM 1279 CA ASP A 102 33.304 20.287 48.125 1.00 12.26 C ATOM 1280 C ASP A 102 33.550 19.285 46.995 1.00 11.64 C ATOM 1281 O ASP A 102 34.441 18.457 47.047 1.00 11.71 O ATOM 1282 CB ASP A 102 34.562 20.406 49.014 1.00 12.72 C ATOM 1283 CG ASP A 102 35.772 20.986 48.238 1.00 13.35 C ATOM 1284 OD1 ASP A 102 35.611 21.532 47.156 1.00 12.38 O ATOM 1285 OD2 ASP A 102 36.829 20.829 48.830 1.00 14.74 O ATOM 0 H ASP A 102 32.353 19.471 49.703 1.00 13.23 H new ATOM 0 HA ASP A 102 33.102 21.141 47.711 1.00 12.26 H new ATOM 0 HB2 ASP A 102 34.366 20.974 49.776 1.00 12.72 H new ATOM 0 HB3 ASP A 102 34.793 19.531 49.364 1.00 12.72 H new ATOM 1290 N ILE A 103 32.718 19.395 46.005 1.00 12.85 N ATOM 1291 CA ILE A 103 32.821 18.507 44.805 1.00 13.45 C ATOM 1292 C ILE A 103 32.307 19.265 43.552 1.00 13.68 C ATOM 1293 O ILE A 103 31.388 20.064 43.646 1.00 12.83 O ATOM 1294 CB ILE A 103 31.985 17.185 45.071 1.00 13.59 C ATOM 1295 CG1 ILE A 103 32.070 16.252 43.823 1.00 13.74 C ATOM 1296 CG2 ILE A 103 30.500 17.485 45.437 1.00 15.19 C ATOM 1297 CD1 ILE A 103 31.497 14.842 44.205 1.00 15.86 C ATOM 0 H ILE A 103 32.075 19.966 45.975 1.00 12.85 H new ATOM 0 HA ILE A 103 33.745 18.259 44.643 1.00 13.45 H new ATOM 0 HB ILE A 103 32.374 16.737 45.838 1.00 13.59 H new ATOM 0 HG12 ILE A 103 31.566 16.631 43.086 1.00 13.74 H new ATOM 0 HG13 ILE A 103 32.990 16.171 43.526 1.00 13.74 H new ATOM 0 HG21 ILE A 103 30.029 16.651 45.590 1.00 15.19 H new ATOM 0 HG22 ILE A 103 30.468 18.026 46.241 1.00 15.19 H new ATOM 0 HG23 ILE A 103 30.077 17.965 44.708 1.00 15.19 H new ATOM 0 HD11 ILE A 103 31.545 14.254 43.435 1.00 15.86 H new ATOM 0 HD12 ILE A 103 32.018 14.467 44.932 1.00 15.86 H new ATOM 0 HD13 ILE A 103 30.573 14.933 44.484 1.00 15.86 H new ATOM 1309 N MET A 104 32.912 18.994 42.429 1.00 13.23 N ATOM 1310 CA MET A 104 32.512 19.645 41.167 1.00 13.02 C ATOM 1311 C MET A 104 32.770 18.613 40.042 1.00 12.46 C ATOM 1312 O MET A 104 33.654 17.770 40.172 1.00 12.67 O ATOM 1313 CB AMET A 104 33.411 20.907 41.038 0.59 12.68 C ATOM 1314 CB BMET A 104 33.317 20.949 40.936 0.43 14.38 C ATOM 1315 CG AMET A 104 33.593 21.487 39.626 0.59 13.14 C ATOM 1316 CG BMET A 104 34.697 20.796 40.335 0.43 14.12 C ATOM 1317 SD AMET A 104 34.759 22.879 39.543 0.59 14.37 S ATOM 1318 SD BMET A 104 35.520 22.379 40.041 0.43 15.39 S ATOM 1319 CE AMET A 104 36.333 22.000 39.712 0.59 14.76 C ATOM 1320 CE BMET A 104 34.421 23.038 38.770 0.43 14.93 C ATOM 0 H MET A 104 33.562 18.436 42.353 1.00 13.23 H new ATOM 0 HA MET A 104 31.582 19.916 41.125 1.00 13.02 H new ATOM 0 HB2AMET A 104 33.040 21.602 41.605 0.59 14.38 H new ATOM 0 HB2BMET A 104 32.797 21.528 40.357 0.43 14.38 H new ATOM 0 HB3AMET A 104 34.288 20.691 41.391 0.59 14.38 H new ATOM 0 HB3BMET A 104 33.406 21.405 41.787 0.43 14.38 H new ATOM 0 HG2AMET A 104 33.902 20.783 39.034 0.59 14.12 H new ATOM 0 HG2BMET A 104 35.245 20.258 40.928 0.43 14.12 H new ATOM 0 HG3AMET A 104 32.730 21.779 39.293 0.59 14.12 H new ATOM 0 HG3BMET A 104 34.627 20.313 39.497 0.43 14.12 H new ATOM 0 HE1AMET A 104 36.814 22.342 40.482 0.59 14.93 H new ATOM 0 HE1BMET A 104 34.945 23.500 38.097 0.43 14.93 H new ATOM 0 HE2AMET A 104 36.163 21.052 39.832 0.59 14.93 H new ATOM 0 HE2BMET A 104 33.933 22.310 38.355 0.43 14.93 H new ATOM 0 HE3AMET A 104 36.866 22.134 38.913 0.59 14.93 H new ATOM 0 HE3BMET A 104 33.794 23.658 39.174 0.43 14.93 H new ATOM 1337 N LEU A 105 32.019 18.754 39.007 1.00 12.17 N ATOM 1338 CA LEU A 105 32.085 17.884 37.799 1.00 12.68 C ATOM 1339 C LEU A 105 32.561 18.738 36.640 1.00 11.30 C ATOM 1340 O LEU A 105 32.120 19.870 36.535 1.00 12.07 O ATOM 1341 CB LEU A 105 30.709 17.347 37.405 1.00 14.88 C ATOM 1342 CG LEU A 105 30.165 16.332 38.437 1.00 18.00 C ATOM 1343 CD1 LEU A 105 28.666 16.038 38.146 1.00 18.33 C ATOM 1344 CD2 LEU A 105 30.916 15.025 38.213 1.00 20.38 C ATOM 0 H LEU A 105 31.422 19.370 38.948 1.00 12.17 H new ATOM 0 HA LEU A 105 32.675 17.140 37.997 1.00 12.68 H new ATOM 0 HB2 LEU A 105 30.086 18.086 37.321 1.00 14.88 H new ATOM 0 HB3 LEU A 105 30.766 16.923 36.534 1.00 14.88 H new ATOM 0 HG LEU A 105 30.272 16.682 39.335 1.00 18.00 H new ATOM 0 HD11 LEU A 105 28.329 15.401 38.795 1.00 18.33 H new ATOM 0 HD12 LEU A 105 28.157 16.861 38.207 1.00 18.33 H new ATOM 0 HD13 LEU A 105 28.576 15.668 37.254 1.00 18.33 H new ATOM 0 HD21 LEU A 105 30.602 14.359 38.844 1.00 20.38 H new ATOM 0 HD22 LEU A 105 30.759 14.712 37.308 1.00 20.38 H new ATOM 0 HD23 LEU A 105 31.866 15.171 38.344 1.00 20.38 H new ATOM 1356 N ILE A 106 33.409 18.163 35.842 1.00 10.09 N ATOM 1357 CA ILE A 106 33.979 18.841 34.668 1.00 11.73 C ATOM 1358 C ILE A 106 33.732 17.966 33.436 1.00 15.17 C ATOM 1359 O ILE A 106 34.083 16.794 33.453 1.00 15.37 O ATOM 1360 CB ILE A 106 35.498 19.023 34.863 1.00 13.69 C ATOM 1361 CG1 ILE A 106 35.719 19.925 36.085 1.00 15.46 C ATOM 1362 CG2 ILE A 106 36.091 19.634 33.561 1.00 12.67 C ATOM 1363 CD1 ILE A 106 37.205 19.959 36.445 1.00 15.40 C ATOM 0 H ILE A 106 33.688 17.357 35.949 1.00 10.09 H new ATOM 0 HA ILE A 106 33.564 19.710 34.554 1.00 11.73 H new ATOM 0 HB ILE A 106 35.948 18.179 35.027 1.00 13.69 H new ATOM 0 HG12 ILE A 106 35.403 20.822 35.896 1.00 15.46 H new ATOM 0 HG13 ILE A 106 35.203 19.596 36.838 1.00 15.46 H new ATOM 0 HG21 ILE A 106 37.048 19.755 33.667 1.00 12.67 H new ATOM 0 HG22 ILE A 106 35.922 19.036 32.816 1.00 12.67 H new ATOM 0 HG23 ILE A 106 35.674 20.492 33.387 1.00 12.67 H new ATOM 0 HD11 ILE A 106 37.338 20.530 37.218 1.00 15.40 H new ATOM 0 HD12 ILE A 106 37.509 19.061 36.651 1.00 15.40 H new ATOM 0 HD13 ILE A 106 37.712 20.307 35.695 1.00 15.40 H new ATOM 1375 N LYS A 107 33.162 18.541 32.413 1.00 14.08 N ATOM 1376 CA LYS A 107 32.891 17.759 31.183 1.00 15.02 C ATOM 1377 C LYS A 107 33.999 18.172 30.193 1.00 15.38 C ATOM 1378 O LYS A 107 34.356 19.333 30.107 1.00 15.57 O ATOM 1379 CB LYS A 107 31.497 18.124 30.591 1.00 15.76 C ATOM 1380 CG LYS A 107 31.139 17.123 29.434 1.00 16.06 C ATOM 1381 CD LYS A 107 29.813 17.527 28.782 1.00 16.13 C ATOM 1382 CE LYS A 107 29.373 16.358 27.882 1.00 19.11 C ATOM 1383 NZ LYS A 107 28.103 16.669 27.155 1.00 22.72 N ATOM 0 H LYS A 107 32.919 19.365 32.385 1.00 14.08 H new ATOM 0 HA LYS A 107 32.885 16.806 31.361 1.00 15.02 H new ATOM 0 HB2 LYS A 107 30.820 18.086 31.285 1.00 15.76 H new ATOM 0 HB3 LYS A 107 31.507 19.033 30.253 1.00 15.76 H new ATOM 0 HG2 LYS A 107 31.846 17.118 28.770 1.00 16.06 H new ATOM 0 HG3 LYS A 107 31.074 16.221 29.785 1.00 16.06 H new ATOM 0 HD2 LYS A 107 29.141 17.711 29.457 1.00 16.13 H new ATOM 0 HD3 LYS A 107 29.921 18.338 28.261 1.00 16.13 H new ATOM 0 HE2 LYS A 107 30.074 16.161 27.241 1.00 19.11 H new ATOM 0 HE3 LYS A 107 29.251 15.561 28.422 1.00 19.11 H new ATOM 0 HZ1 LYS A 107 27.783 15.926 26.785 1.00 22.72 H new ATOM 0 HZ2 LYS A 107 27.505 16.996 27.728 1.00 22.72 H new ATOM 0 HZ3 LYS A 107 28.264 17.271 26.519 1.00 22.72 H new ATOM 1397 N LEU A 108 34.478 17.199 29.471 1.00 16.59 N ATOM 1398 CA LEU A 108 35.552 17.393 28.471 1.00 17.32 C ATOM 1399 C LEU A 108 34.930 17.754 27.147 1.00 18.04 C ATOM 1400 O LEU A 108 33.848 17.314 26.838 1.00 15.21 O ATOM 1401 CB LEU A 108 36.362 16.076 28.235 1.00 17.88 C ATOM 1402 CG LEU A 108 36.954 15.403 29.527 1.00 21.68 C ATOM 1403 CD1 LEU A 108 37.743 14.139 29.132 1.00 21.19 C ATOM 1404 CD2 LEU A 108 37.939 16.343 30.274 1.00 22.90 C ATOM 0 H LEU A 108 34.201 16.387 29.530 1.00 16.59 H new ATOM 0 HA LEU A 108 36.140 18.088 28.806 1.00 17.32 H new ATOM 0 HB2 LEU A 108 35.785 15.435 27.791 1.00 17.88 H new ATOM 0 HB3 LEU A 108 37.092 16.269 27.626 1.00 17.88 H new ATOM 0 HG LEU A 108 36.205 15.195 30.108 1.00 21.68 H new ATOM 0 HD11 LEU A 108 38.109 13.723 29.929 1.00 21.19 H new ATOM 0 HD12 LEU A 108 37.151 13.514 28.685 1.00 21.19 H new ATOM 0 HD13 LEU A 108 38.467 14.383 28.534 1.00 21.19 H new ATOM 0 HD21 LEU A 108 38.281 15.893 31.062 1.00 22.90 H new ATOM 0 HD22 LEU A 108 38.677 16.572 29.687 1.00 22.90 H new ATOM 0 HD23 LEU A 108 37.475 17.152 30.540 1.00 22.90 H new ATOM 1416 N LYS A 109 35.634 18.534 26.395 1.00 17.73 N ATOM 1417 CA LYS A 109 35.136 18.942 25.061 1.00 19.93 C ATOM 1418 C LYS A 109 35.068 17.740 24.106 1.00 19.10 C ATOM 1419 O LYS A 109 34.188 17.682 23.267 1.00 21.15 O ATOM 1420 CB LYS A 109 36.063 19.942 24.425 1.00 24.15 C ATOM 1421 CG LYS A 109 35.673 21.387 24.729 1.00 26.65 C ATOM 1422 CD LYS A 109 36.750 22.299 24.053 0.17 27.24 C ATOM 1423 CE LYS A 109 36.869 22.097 22.508 0.17 27.68 C ATOM 1424 NZ LYS A 109 38.117 22.749 22.013 0.17 27.98 N ATOM 0 H LYS A 109 36.403 18.854 26.609 1.00 17.73 H new ATOM 0 HA LYS A 109 34.255 19.323 25.200 1.00 19.93 H new ATOM 0 HB2 LYS A 109 36.967 19.783 24.738 1.00 24.15 H new ATOM 0 HB3 LYS A 109 36.067 19.808 23.464 1.00 24.15 H new ATOM 0 HG2 LYS A 109 34.789 21.585 24.383 1.00 26.65 H new ATOM 0 HG3 LYS A 109 35.644 21.541 25.686 1.00 26.65 H new ATOM 0 HD2 LYS A 109 36.535 23.227 24.234 0.17 27.24 H new ATOM 0 HD3 LYS A 109 37.612 22.123 24.461 0.17 27.24 H new ATOM 0 HE2 LYS A 109 36.882 21.150 22.296 0.17 27.68 H new ATOM 0 HE3 LYS A 109 36.096 22.477 22.062 0.17 27.68 H new ATOM 0 HZ1 LYS A 109 38.184 22.633 21.133 0.17 27.98 H new ATOM 0 HZ2 LYS A 109 38.090 23.620 22.196 0.17 27.98 H new ATOM 0 HZ3 LYS A 109 38.822 22.383 22.414 0.17 27.98 H new ATOM 1438 N SER A 110 36.011 16.857 24.252 1.00 22.00 N ATOM 1439 CA SER A 110 36.099 15.617 23.409 1.00 25.23 C ATOM 1440 C SER A 110 36.229 14.471 24.418 1.00 25.28 C ATOM 1441 O SER A 110 36.666 14.685 25.536 1.00 22.28 O ATOM 1442 CB SER A 110 37.366 15.548 22.547 1.00 27.12 C ATOM 1443 OG SER A 110 37.363 16.788 21.874 1.00 32.28 O ATOM 0 H SER A 110 36.639 16.927 24.836 1.00 22.00 H new ATOM 0 HA SER A 110 35.331 15.588 22.817 1.00 25.23 H new ATOM 0 HB2 SER A 110 38.163 15.436 23.089 1.00 27.12 H new ATOM 0 HB3 SER A 110 37.338 14.803 21.926 1.00 27.12 H new ATOM 0 HG SER A 110 38.035 16.836 21.372 1.00 32.28 H new ATOM 1449 N ALA A 111 35.873 13.293 23.985 1.00 23.61 N ATOM 1450 CA ALA A 111 35.965 12.132 24.896 1.00 21.87 C ATOM 1451 C ALA A 111 37.411 11.751 24.878 1.00 21.15 C ATOM 1452 O ALA A 111 38.074 11.861 23.859 1.00 23.04 O ATOM 1453 CB ALA A 111 35.133 10.962 24.362 1.00 22.84 C ATOM 0 H ALA A 111 35.581 13.123 23.194 1.00 23.61 H new ATOM 0 HA ALA A 111 35.636 12.344 25.784 1.00 21.87 H new ATOM 0 HB1 ALA A 111 35.204 10.210 24.970 1.00 22.84 H new ATOM 0 HB2 ALA A 111 34.204 11.232 24.289 1.00 22.84 H new ATOM 0 HB3 ALA A 111 35.463 10.702 23.488 1.00 22.84 H new ATOM 1459 N ALA A 112 37.854 11.306 25.999 1.00 20.32 N ATOM 1460 CA ALA A 112 39.268 10.879 26.124 1.00 19.24 C ATOM 1461 C ALA A 112 39.305 9.469 25.526 1.00 22.49 C ATOM 1462 O ALA A 112 38.262 8.848 25.415 1.00 20.35 O ATOM 1463 CB ALA A 112 39.654 10.778 27.589 1.00 17.30 C ATOM 0 H ALA A 112 37.385 11.230 26.716 1.00 20.32 H new ATOM 0 HA ALA A 112 39.870 11.502 25.687 1.00 19.24 H new ATOM 0 HB1 ALA A 112 40.580 10.498 27.661 1.00 17.30 H new ATOM 0 HB2 ALA A 112 39.544 11.643 28.013 1.00 17.30 H new ATOM 0 HB3 ALA A 112 39.085 10.128 28.030 1.00 17.30 H new ATOM 1469 N SER A 113 40.467 9.002 25.175 1.00 21.78 N ATOM 1470 CA SER A 113 40.574 7.623 24.604 1.00 24.08 C ATOM 1471 C SER A 113 41.096 6.853 25.814 1.00 22.85 C ATOM 1472 O SER A 113 42.119 7.184 26.388 1.00 23.07 O ATOM 1473 CB SER A 113 41.595 7.572 23.435 1.00 26.73 C ATOM 1474 OG SER A 113 40.990 8.469 22.504 1.00 33.13 O ATOM 0 H SER A 113 41.210 9.430 25.243 1.00 21.78 H new ATOM 0 HA SER A 113 39.748 7.281 24.229 1.00 24.08 H new ATOM 0 HB2 SER A 113 42.479 7.866 23.707 1.00 26.73 H new ATOM 0 HB3 SER A 113 41.693 6.678 23.072 1.00 26.73 H new ATOM 0 HG SER A 113 41.468 8.523 21.815 1.00 33.13 H new ATOM 1480 N LEU A 114 40.374 5.846 26.167 1.00 21.07 N ATOM 1481 CA LEU A 114 40.781 5.040 27.332 1.00 23.34 C ATOM 1482 C LEU A 114 41.728 3.959 26.861 1.00 24.46 C ATOM 1483 O LEU A 114 41.544 3.372 25.818 1.00 23.95 O ATOM 1484 CB LEU A 114 39.533 4.407 27.954 1.00 23.24 C ATOM 1485 CG LEU A 114 38.437 5.471 28.252 1.00 26.13 C ATOM 1486 CD1 LEU A 114 37.244 4.745 28.915 1.00 27.49 C ATOM 1487 CD2 LEU A 114 38.962 6.575 29.182 1.00 25.17 C ATOM 0 H LEU A 114 39.653 5.591 25.774 1.00 21.07 H new ATOM 0 HA LEU A 114 41.224 5.593 27.994 1.00 23.34 H new ATOM 0 HB2 LEU A 114 39.177 3.735 27.353 1.00 23.24 H new ATOM 0 HB3 LEU A 114 39.776 3.953 28.776 1.00 23.24 H new ATOM 0 HG LEU A 114 38.167 5.898 27.424 1.00 26.13 H new ATOM 0 HD11 LEU A 114 36.544 5.387 29.112 1.00 27.49 H new ATOM 0 HD12 LEU A 114 36.901 4.068 28.311 1.00 27.49 H new ATOM 0 HD13 LEU A 114 37.538 4.324 29.738 1.00 27.49 H new ATOM 0 HD21 LEU A 114 38.257 7.221 29.348 1.00 25.17 H new ATOM 0 HD22 LEU A 114 39.245 6.183 30.023 1.00 25.17 H new ATOM 0 HD23 LEU A 114 39.715 7.020 28.763 1.00 25.17 H new ATOM 1499 N ASN A 115 42.728 3.711 27.635 1.00 23.72 N ATOM 1500 CA ASN A 115 43.724 2.679 27.299 1.00 25.93 C ATOM 1501 C ASN A 115 44.306 2.257 28.640 1.00 27.52 C ATOM 1502 O ASN A 115 43.703 2.491 29.672 1.00 26.60 O ATOM 1503 CB ASN A 115 44.775 3.283 26.338 1.00 25.51 C ATOM 1504 CG ASN A 115 45.450 4.518 26.884 1.00 25.43 C ATOM 1505 OD1 ASN A 115 46.075 4.492 27.921 1.00 27.97 O ATOM 1506 ND2 ASN A 115 45.355 5.622 26.218 1.00 25.68 N ATOM 0 H ASN A 115 42.875 4.120 28.377 1.00 23.72 H new ATOM 0 HA ASN A 115 43.359 1.908 26.837 1.00 25.93 H new ATOM 0 HB2 ASN A 115 45.449 2.613 26.145 1.00 25.51 H new ATOM 0 HB3 ASN A 115 44.345 3.503 25.497 1.00 25.51 H new ATOM 0 HD21 ASN A 115 45.735 6.335 26.512 1.00 25.68 H new ATOM 0 HD22 ASN A 115 44.912 5.643 25.481 1.00 25.68 H new ATOM 1513 N SER A 116 45.446 1.645 28.634 1.00 31.26 N ATOM 1514 CA SER A 116 46.071 1.197 29.910 1.00 32.52 C ATOM 1515 C SER A 116 46.554 2.368 30.756 1.00 32.41 C ATOM 1516 O SER A 116 46.570 2.301 31.973 1.00 33.09 O ATOM 1517 CB SER A 116 47.277 0.300 29.589 1.00 34.73 C ATOM 1518 OG SER A 116 46.839 -0.461 28.457 1.00 39.35 O ATOM 0 H SER A 116 45.898 1.464 27.925 1.00 31.26 H new ATOM 0 HA SER A 116 45.396 0.716 30.414 1.00 32.52 H new ATOM 0 HB2 SER A 116 48.067 0.824 29.383 1.00 34.73 H new ATOM 0 HB3 SER A 116 47.505 -0.273 30.338 1.00 34.73 H new ATOM 0 HG SER A 116 47.452 -0.983 28.216 1.00 39.35 H new ATOM 1524 N ARG A 117 46.941 3.420 30.090 1.00 31.56 N ATOM 1525 CA ARG A 117 47.461 4.634 30.817 1.00 31.46 C ATOM 1526 C ARG A 117 46.401 5.665 31.223 1.00 28.21 C ATOM 1527 O ARG A 117 46.660 6.463 32.116 1.00 25.33 O ATOM 1528 CB ARG A 117 48.555 5.237 29.880 1.00 32.28 C ATOM 1529 CG ARG A 117 49.578 4.061 29.683 1.00 33.34 C ATOM 1530 CD ARG A 117 50.695 4.370 28.715 1.00 36.43 C ATOM 1531 NE ARG A 117 51.391 3.068 28.447 0.14 36.79 N ATOM 1532 CZ ARG A 117 52.641 2.834 28.763 0.14 37.55 C ATOM 1533 NH1 ARG A 117 53.355 3.694 29.442 0.14 37.69 N ATOM 1534 NH2 ARG A 117 53.159 1.711 28.348 0.14 38.61 N ATOM 0 H ARG A 117 46.926 3.488 29.233 1.00 31.56 H new ATOM 0 HA ARG A 117 47.815 4.367 31.680 1.00 31.46 H new ATOM 0 HB2 ARG A 117 48.178 5.525 29.034 1.00 32.28 H new ATOM 0 HB3 ARG A 117 48.978 6.012 30.281 1.00 32.28 H new ATOM 0 HG2 ARG A 117 49.963 3.833 30.544 1.00 33.34 H new ATOM 0 HG3 ARG A 117 49.099 3.278 29.370 1.00 33.34 H new ATOM 0 HD2 ARG A 117 50.346 4.751 27.894 1.00 36.43 H new ATOM 0 HD3 ARG A 117 51.309 5.020 29.091 1.00 36.43 H new ATOM 0 HE ARG A 117 50.945 2.440 28.065 0.14 36.79 H new ATOM 0 HH11 ARG A 117 53.006 4.438 29.694 0.14 37.69 H new ATOM 0 HH12 ARG A 117 54.173 3.515 29.636 0.14 37.69 H new ATOM 0 HH21 ARG A 117 52.683 1.162 27.888 0.14 38.61 H new ATOM 0 HH22 ARG A 117 53.977 1.520 28.534 0.14 38.61 H new ATOM 1548 N VAL A 118 45.280 5.598 30.555 1.00 24.21 N ATOM 1549 CA VAL A 118 44.145 6.528 30.823 1.00 21.06 C ATOM 1550 C VAL A 118 42.922 5.609 31.071 1.00 20.32 C ATOM 1551 O VAL A 118 42.431 4.964 30.154 1.00 17.88 O ATOM 1552 CB VAL A 118 44.018 7.458 29.553 1.00 20.08 C ATOM 1553 CG1 VAL A 118 42.871 8.458 29.727 1.00 20.35 C ATOM 1554 CG2 VAL A 118 45.352 8.244 29.301 1.00 19.27 C ATOM 0 H VAL A 118 45.128 5.026 29.931 1.00 24.21 H new ATOM 0 HA VAL A 118 44.246 7.113 31.590 1.00 21.06 H new ATOM 0 HB VAL A 118 43.835 6.888 28.790 1.00 20.08 H new ATOM 0 HG11 VAL A 118 42.809 9.020 28.939 1.00 20.35 H new ATOM 0 HG12 VAL A 118 42.037 7.977 29.848 1.00 20.35 H new ATOM 0 HG13 VAL A 118 43.040 9.012 30.505 1.00 20.35 H new ATOM 0 HG21 VAL A 118 45.253 8.808 28.518 1.00 19.27 H new ATOM 0 HG22 VAL A 118 45.553 8.796 30.073 1.00 19.27 H new ATOM 0 HG23 VAL A 118 46.076 7.615 29.156 1.00 19.27 H new ATOM 1564 N ALA A 119 42.465 5.561 32.291 1.00 18.49 N ATOM 1565 CA ALA A 119 41.290 4.689 32.597 1.00 20.01 C ATOM 1566 C ALA A 119 40.352 5.415 33.550 1.00 19.15 C ATOM 1567 O ALA A 119 40.822 6.325 34.198 1.00 18.82 O ATOM 1568 CB ALA A 119 41.807 3.384 33.244 1.00 19.04 C ATOM 0 H ALA A 119 42.786 5.998 32.958 1.00 18.49 H new ATOM 0 HA ALA A 119 40.803 4.480 31.785 1.00 20.01 H new ATOM 0 HB1 ALA A 119 41.056 2.805 33.450 1.00 19.04 H new ATOM 0 HB2 ALA A 119 42.404 2.932 32.628 1.00 19.04 H new ATOM 0 HB3 ALA A 119 42.285 3.595 34.061 1.00 19.04 H new ATOM 1574 N SER A 120 39.102 5.037 33.638 1.00 18.48 N ATOM 1575 CA SER A 120 38.203 5.754 34.594 1.00 18.05 C ATOM 1576 C SER A 120 38.151 4.953 35.926 1.00 18.81 C ATOM 1577 O SER A 120 38.549 3.796 35.959 1.00 17.50 O ATOM 1578 CB SER A 120 36.826 5.867 33.965 1.00 19.38 C ATOM 1579 OG SER A 120 36.441 4.578 33.503 1.00 23.14 O ATOM 0 H SER A 120 38.740 4.400 33.188 1.00 18.48 H new ATOM 0 HA SER A 120 38.532 6.646 34.785 1.00 18.05 H new ATOM 0 HB2 SER A 120 36.185 6.200 34.612 1.00 19.38 H new ATOM 0 HB3 SER A 120 36.841 6.499 33.230 1.00 19.38 H new ATOM 0 HG SER A 120 35.679 4.622 33.153 1.00 23.14 H new ATOM 1585 N ILE A 121 37.675 5.565 36.975 1.00 16.58 N ATOM 1586 CA ILE A 121 37.588 4.873 38.292 1.00 19.09 C ATOM 1587 C ILE A 121 36.073 4.758 38.586 1.00 18.58 C ATOM 1588 O ILE A 121 35.304 5.615 38.201 1.00 18.28 O ATOM 1589 CB ILE A 121 38.342 5.724 39.434 1.00 16.99 C ATOM 1590 CG1 ILE A 121 38.256 5.062 40.846 1.00 17.32 C ATOM 1591 CG2 ILE A 121 37.795 7.160 39.519 1.00 16.43 C ATOM 1592 CD1 ILE A 121 39.100 3.765 40.951 1.00 18.32 C ATOM 0 H ILE A 121 37.391 6.377 36.975 1.00 16.58 H new ATOM 0 HA ILE A 121 38.017 4.003 38.278 1.00 19.09 H new ATOM 0 HB ILE A 121 39.275 5.744 39.168 1.00 16.99 H new ATOM 0 HG12 ILE A 121 38.559 5.696 41.515 1.00 17.32 H new ATOM 0 HG13 ILE A 121 37.329 4.858 41.048 1.00 17.32 H new ATOM 0 HG21 ILE A 121 38.267 7.646 40.213 1.00 16.43 H new ATOM 0 HG22 ILE A 121 37.924 7.607 38.668 1.00 16.43 H new ATOM 0 HG23 ILE A 121 36.849 7.134 39.730 1.00 16.43 H new ATOM 0 HD11 ILE A 121 39.014 3.394 41.843 1.00 18.32 H new ATOM 0 HD12 ILE A 121 38.783 3.119 40.300 1.00 18.32 H new ATOM 0 HD13 ILE A 121 40.032 3.970 40.775 1.00 18.32 H new ATOM 1604 N SER A 122 35.711 3.717 39.277 1.00 19.85 N ATOM 1605 CA SER A 122 34.292 3.450 39.632 1.00 20.53 C ATOM 1606 C SER A 122 33.831 4.188 40.834 1.00 17.31 C ATOM 1607 O SER A 122 34.591 4.390 41.768 1.00 15.91 O ATOM 1608 CB SER A 122 34.036 1.966 39.990 1.00 23.41 C ATOM 1609 OG SER A 122 34.718 1.201 39.000 1.00 31.30 O ATOM 0 H SER A 122 36.262 3.125 39.569 1.00 19.85 H new ATOM 0 HA SER A 122 33.817 3.730 38.834 1.00 20.53 H new ATOM 0 HB2 SER A 122 34.368 1.760 40.878 1.00 23.41 H new ATOM 0 HB3 SER A 122 33.087 1.767 39.990 1.00 23.41 H new ATOM 0 HG SER A 122 34.609 0.382 39.154 1.00 31.30 H new ATOM 1615 N LEU A 123 32.579 4.522 40.764 1.00 18.11 N ATOM 1616 CA LEU A 123 31.960 5.245 41.882 1.00 18.79 C ATOM 1617 C LEU A 123 31.554 4.130 42.845 1.00 18.87 C ATOM 1618 O LEU A 123 31.338 2.998 42.443 1.00 19.74 O ATOM 1619 CB LEU A 123 30.720 5.989 41.411 1.00 19.97 C ATOM 1620 CG LEU A 123 31.048 7.175 40.470 1.00 20.97 C ATOM 1621 CD1 LEU A 123 29.717 7.828 40.166 1.00 23.36 C ATOM 1622 CD2 LEU A 123 31.874 8.240 41.195 1.00 21.94 C ATOM 0 H LEU A 123 32.059 4.353 40.100 1.00 18.11 H new ATOM 0 HA LEU A 123 32.552 5.903 42.278 1.00 18.79 H new ATOM 0 HB2 LEU A 123 30.133 5.370 40.950 1.00 19.97 H new ATOM 0 HB3 LEU A 123 30.234 6.320 42.183 1.00 19.97 H new ATOM 0 HG LEU A 123 31.534 6.856 39.694 1.00 20.97 H new ATOM 0 HD11 LEU A 123 29.855 8.585 39.575 1.00 23.36 H new ATOM 0 HD12 LEU A 123 29.132 7.185 39.736 1.00 23.36 H new ATOM 0 HD13 LEU A 123 29.310 8.133 40.992 1.00 23.36 H new ATOM 0 HD21 LEU A 123 32.066 8.970 40.586 1.00 21.94 H new ATOM 0 HD22 LEU A 123 31.374 8.576 41.955 1.00 21.94 H new ATOM 0 HD23 LEU A 123 32.706 7.849 41.504 1.00 21.94 H new ATOM 1634 N PRO A 124 31.466 4.461 44.093 1.00 19.58 N ATOM 1635 CA PRO A 124 31.165 3.459 45.143 1.00 20.34 C ATOM 1636 C PRO A 124 29.693 3.068 45.147 1.00 21.89 C ATOM 1637 O PRO A 124 28.870 3.849 44.709 1.00 19.42 O ATOM 1638 CB PRO A 124 31.588 4.142 46.425 1.00 21.92 C ATOM 1639 CG PRO A 124 31.283 5.654 46.147 1.00 22.36 C ATOM 1640 CD PRO A 124 31.661 5.840 44.646 1.00 21.16 C ATOM 0 HA PRO A 124 31.631 2.620 45.006 1.00 20.34 H new ATOM 0 HB2 PRO A 124 31.089 3.811 47.188 1.00 21.92 H new ATOM 0 HB3 PRO A 124 32.528 3.996 46.615 1.00 21.92 H new ATOM 0 HG2 PRO A 124 30.350 5.864 46.308 1.00 22.36 H new ATOM 0 HG3 PRO A 124 31.807 6.234 46.721 1.00 22.36 H new ATOM 0 HD2 PRO A 124 31.090 6.490 44.207 1.00 21.16 H new ATOM 0 HD3 PRO A 124 32.575 6.147 44.538 1.00 21.16 H new ATOM 1648 N THR A 125 29.444 1.884 45.650 1.00 27.36 N ATOM 1649 CA THR A 125 28.060 1.306 45.771 1.00 28.74 C ATOM 1650 C THR A 125 27.648 1.558 47.267 1.00 27.61 C ATOM 1651 O THR A 125 26.469 1.608 47.582 1.00 32.27 O ATOM 1652 CB THR A 125 28.091 -0.226 45.432 1.00 30.86 C ATOM 1653 OG1 THR A 125 29.450 -0.651 45.518 1.00 36.02 O ATOM 1654 CG2 THR A 125 27.809 -0.417 43.956 1.00 30.68 C ATOM 0 H THR A 125 30.061 1.361 45.944 1.00 27.36 H new ATOM 0 HA THR A 125 27.426 1.710 45.158 1.00 28.74 H new ATOM 0 HB THR A 125 27.468 -0.687 46.015 1.00 30.86 H new ATOM 0 HG1 THR A 125 29.499 -1.471 45.342 1.00 36.02 H new ATOM 0 HG21 THR A 125 27.827 -1.363 43.743 1.00 30.68 H new ATOM 0 HG22 THR A 125 26.934 -0.055 43.744 1.00 30.68 H new ATOM 0 HG23 THR A 125 28.484 0.045 43.435 1.00 30.68 H new ATOM 1662 N SER A 127 28.607 1.681 48.156 1.00 22.81 N ATOM 1663 CA SER A 127 28.327 1.951 49.598 1.00 20.52 C ATOM 1664 C SER A 127 29.529 2.776 50.124 1.00 19.59 C ATOM 1665 O SER A 127 30.549 2.891 49.458 1.00 21.13 O ATOM 1666 CB SER A 127 28.172 0.608 50.375 1.00 20.71 C ATOM 1667 OG SER A 127 29.233 -0.247 49.938 1.00 24.16 O ATOM 0 H SER A 127 29.443 1.615 47.967 1.00 22.81 H new ATOM 0 HA SER A 127 27.498 2.440 49.721 1.00 20.52 H new ATOM 0 HB2 SER A 127 28.222 0.757 51.332 1.00 20.71 H new ATOM 0 HB3 SER A 127 27.309 0.204 50.195 1.00 20.71 H new ATOM 0 HG SER A 127 29.183 -0.984 50.339 1.00 24.16 H new ATOM 1673 N CYS A 128 29.397 3.306 51.300 1.00 17.52 N ATOM 1674 CA CYS A 128 30.504 4.112 51.875 1.00 20.63 C ATOM 1675 C CYS A 128 31.504 3.134 52.539 1.00 23.31 C ATOM 1676 O CYS A 128 31.098 2.072 52.990 1.00 24.59 O ATOM 1677 CB CYS A 128 29.932 5.060 52.929 1.00 21.21 C ATOM 1678 SG CYS A 128 28.612 6.164 52.379 1.00 20.56 S ATOM 0 H CYS A 128 28.700 3.231 51.798 1.00 17.52 H new ATOM 0 HA CYS A 128 30.949 4.633 51.188 1.00 20.63 H new ATOM 0 HB2 CYS A 128 29.596 4.528 53.667 1.00 21.21 H new ATOM 0 HB3 CYS A 128 30.657 5.602 53.277 1.00 21.21 H new ATOM 1683 N ALA A 129 32.751 3.525 52.608 1.00 20.76 N ATOM 1684 CA ALA A 129 33.770 2.636 53.216 1.00 20.22 C ATOM 1685 C ALA A 129 33.870 2.831 54.709 1.00 21.63 C ATOM 1686 O ALA A 129 33.556 3.870 55.235 1.00 24.22 O ATOM 1687 CB ALA A 129 35.130 2.920 52.604 1.00 20.16 C ATOM 0 H ALA A 129 33.046 4.280 52.322 1.00 20.76 H new ATOM 0 HA ALA A 129 33.496 1.722 53.040 1.00 20.22 H new ATOM 0 HB1 ALA A 129 35.793 2.337 53.004 1.00 20.16 H new ATOM 0 HB2 ALA A 129 35.095 2.760 51.648 1.00 20.16 H new ATOM 0 HB3 ALA A 129 35.372 3.845 52.768 1.00 20.16 H new ATOM 1693 N SER A 130 34.345 1.814 55.345 1.00 26.53 N ATOM 1694 CA SER A 130 34.532 1.753 56.822 1.00 27.74 C ATOM 1695 C SER A 130 35.839 2.329 57.308 1.00 24.27 C ATOM 1696 O SER A 130 36.867 2.342 56.654 1.00 27.17 O ATOM 1697 CB SER A 130 34.543 0.280 57.333 1.00 29.13 C ATOM 1698 OG SER A 130 33.464 -0.394 56.701 1.00 33.29 O ATOM 0 H SER A 130 34.588 1.092 54.945 1.00 26.53 H new ATOM 0 HA SER A 130 33.787 2.273 57.162 1.00 27.74 H new ATOM 0 HB2 SER A 130 35.386 -0.150 57.120 1.00 29.13 H new ATOM 0 HB3 SER A 130 34.446 0.252 58.298 1.00 29.13 H new ATOM 0 HG SER A 130 33.445 -1.194 56.957 1.00 33.29 H new ATOM 1704 N ALA A 132 35.739 2.787 58.515 1.00 22.43 N ATOM 1705 CA ALA A 132 36.926 3.369 59.177 1.00 21.60 C ATOM 1706 C ALA A 132 37.907 2.199 59.170 1.00 20.35 C ATOM 1707 O ALA A 132 37.483 1.070 59.361 1.00 21.36 O ATOM 1708 CB ALA A 132 36.657 3.738 60.661 1.00 20.97 C ATOM 0 H ALA A 132 35.019 2.784 58.985 1.00 22.43 H new ATOM 0 HA ALA A 132 37.220 4.180 58.734 1.00 21.60 H new ATOM 0 HB1 ALA A 132 37.461 4.115 61.052 1.00 20.97 H new ATOM 0 HB2 ALA A 132 35.940 4.389 60.708 1.00 20.97 H new ATOM 0 HB3 ALA A 132 36.402 2.941 61.152 1.00 20.97 H new ATOM 1714 N GLY A 133 39.155 2.443 58.945 1.00 19.51 N ATOM 1715 CA GLY A 133 40.093 1.297 58.957 1.00 19.59 C ATOM 1716 C GLY A 133 40.416 0.884 57.588 1.00 18.33 C ATOM 1717 O GLY A 133 41.465 0.308 57.439 1.00 23.55 O ATOM 0 H GLY A 133 39.499 3.215 58.787 1.00 19.51 H new ATOM 0 HA2 GLY A 133 40.905 1.542 59.427 1.00 19.59 H new ATOM 0 HA3 GLY A 133 39.699 0.554 59.440 1.00 19.59 H new ATOM 1721 N THR A 134 39.566 1.150 56.645 1.00 18.57 N ATOM 1722 CA THR A 134 39.868 0.748 55.239 1.00 20.34 C ATOM 1723 C THR A 134 41.105 1.580 54.764 1.00 21.22 C ATOM 1724 O THR A 134 41.205 2.762 55.053 1.00 18.61 O ATOM 1725 CB THR A 134 38.623 1.053 54.394 1.00 20.21 C ATOM 1726 OG1 THR A 134 37.556 0.242 54.902 1.00 22.79 O ATOM 1727 CG2 THR A 134 38.779 0.629 52.947 1.00 20.99 C ATOM 0 H THR A 134 38.815 1.552 56.759 1.00 18.57 H new ATOM 0 HA THR A 134 40.078 -0.195 55.156 1.00 20.34 H new ATOM 0 HB THR A 134 38.468 2.009 54.440 1.00 20.21 H new ATOM 0 HG1 THR A 134 37.152 0.659 55.509 1.00 22.79 H new ATOM 0 HG21 THR A 134 37.969 0.842 52.458 1.00 20.99 H new ATOM 0 HG22 THR A 134 39.529 1.100 52.551 1.00 20.99 H new ATOM 0 HG23 THR A 134 38.939 -0.327 52.905 1.00 20.99 H new ATOM 1735 N GLN A 135 41.983 0.915 54.055 1.00 21.30 N ATOM 1736 CA GLN A 135 43.215 1.574 53.527 1.00 22.98 C ATOM 1737 C GLN A 135 42.875 2.101 52.138 1.00 21.04 C ATOM 1738 O GLN A 135 42.253 1.422 51.335 1.00 21.44 O ATOM 1739 CB GLN A 135 44.391 0.582 53.333 1.00 22.34 C ATOM 1740 CG GLN A 135 44.975 0.088 54.646 1.00 25.92 C ATOM 1741 CD GLN A 135 45.812 1.183 55.325 0.47 25.89 C ATOM 1742 OE1 GLN A 135 46.470 1.984 54.694 0.47 25.26 O ATOM 1743 NE2 GLN A 135 45.834 1.261 56.619 0.47 28.50 N ATOM 0 H GLN A 135 41.909 0.082 53.854 1.00 21.30 H new ATOM 0 HA GLN A 135 43.484 2.257 54.161 1.00 22.98 H new ATOM 0 HB2 GLN A 135 44.084 -0.179 52.815 1.00 22.34 H new ATOM 0 HB3 GLN A 135 45.089 1.013 52.816 1.00 22.34 H new ATOM 0 HG2 GLN A 135 44.259 -0.190 55.238 1.00 25.92 H new ATOM 0 HG3 GLN A 135 45.528 -0.692 54.484 1.00 25.92 H new ATOM 0 HE21 GLN A 135 45.377 0.706 57.091 0.47 28.50 H new ATOM 0 HE22 GLN A 135 46.306 1.868 57.005 0.47 28.50 H new ATOM 1752 N CYS A 136 43.315 3.299 51.891 1.00 21.02 N ATOM 1753 CA CYS A 136 43.064 3.947 50.575 1.00 19.38 C ATOM 1754 C CYS A 136 44.383 4.441 50.001 1.00 18.10 C ATOM 1755 O CYS A 136 45.406 4.501 50.660 1.00 14.50 O ATOM 1756 CB CYS A 136 42.123 5.125 50.776 1.00 20.54 C ATOM 1757 SG CYS A 136 40.622 4.748 51.706 1.00 20.07 S ATOM 0 H CYS A 136 43.762 3.777 52.449 1.00 21.02 H new ATOM 0 HA CYS A 136 42.664 3.310 49.962 1.00 19.38 H new ATOM 0 HB2 CYS A 136 42.604 5.831 51.235 1.00 20.54 H new ATOM 0 HB3 CYS A 136 41.870 5.473 49.906 1.00 20.54 H new ATOM 1762 N LEU A 137 44.269 4.794 48.766 1.00 17.02 N ATOM 1763 CA LEU A 137 45.428 5.313 48.004 1.00 17.85 C ATOM 1764 C LEU A 137 45.009 6.742 47.612 1.00 18.63 C ATOM 1765 O LEU A 137 43.949 6.953 47.040 1.00 16.45 O ATOM 1766 CB LEU A 137 45.681 4.487 46.702 1.00 16.97 C ATOM 1767 CG LEU A 137 46.938 5.020 45.899 1.00 18.83 C ATOM 1768 CD1 LEU A 137 48.272 4.788 46.687 1.00 20.00 C ATOM 1769 CD2 LEU A 137 47.027 4.332 44.527 1.00 19.95 C ATOM 0 H LEU A 137 43.536 4.753 48.318 1.00 17.02 H new ATOM 0 HA LEU A 137 46.243 5.268 48.528 1.00 17.85 H new ATOM 0 HB2 LEU A 137 45.816 3.555 46.932 1.00 16.97 H new ATOM 0 HB3 LEU A 137 44.895 4.528 46.136 1.00 16.97 H new ATOM 0 HG LEU A 137 46.819 5.975 45.779 1.00 18.83 H new ATOM 0 HD11 LEU A 137 49.018 5.125 46.167 1.00 20.00 H new ATOM 0 HD12 LEU A 137 48.232 5.256 47.536 1.00 20.00 H new ATOM 0 HD13 LEU A 137 48.393 3.839 46.847 1.00 20.00 H new ATOM 0 HD21 LEU A 137 47.800 4.667 44.046 1.00 19.95 H new ATOM 0 HD22 LEU A 137 47.114 3.374 44.650 1.00 19.95 H new ATOM 0 HD23 LEU A 137 46.223 4.520 44.018 1.00 19.95 H new ATOM 1781 N ILE A 138 45.891 7.639 47.951 1.00 18.12 N ATOM 1782 CA ILE A 138 45.726 9.091 47.683 1.00 17.67 C ATOM 1783 C ILE A 138 46.934 9.434 46.782 1.00 16.02 C ATOM 1784 O ILE A 138 48.040 8.972 47.043 1.00 15.86 O ATOM 1785 CB ILE A 138 45.769 9.810 49.044 1.00 18.88 C ATOM 1786 CG1 ILE A 138 44.758 9.087 50.004 1.00 18.22 C ATOM 1787 CG2 ILE A 138 45.381 11.301 48.841 1.00 19.75 C ATOM 1788 CD1 ILE A 138 44.862 9.650 51.404 1.00 18.90 C ATOM 0 H ILE A 138 46.626 7.445 48.353 1.00 18.12 H new ATOM 0 HA ILE A 138 44.898 9.351 47.250 1.00 17.67 H new ATOM 0 HB ILE A 138 46.657 9.779 49.433 1.00 18.88 H new ATOM 0 HG12 ILE A 138 43.853 9.197 49.672 1.00 18.22 H new ATOM 0 HG13 ILE A 138 44.942 8.135 50.018 1.00 18.22 H new ATOM 0 HG21 ILE A 138 45.406 11.761 49.695 1.00 19.75 H new ATOM 0 HG22 ILE A 138 46.009 11.719 48.231 1.00 19.75 H new ATOM 0 HG23 ILE A 138 44.486 11.355 48.471 1.00 19.75 H new ATOM 0 HD11 ILE A 138 44.232 9.194 51.984 1.00 18.90 H new ATOM 0 HD12 ILE A 138 45.763 9.520 51.739 1.00 18.90 H new ATOM 0 HD13 ILE A 138 44.658 10.598 51.388 1.00 18.90 H new ATOM 1800 N SER A 139 46.692 10.216 45.773 1.00 16.39 N ATOM 1801 CA SER A 139 47.786 10.587 44.860 1.00 16.01 C ATOM 1802 C SER A 139 47.680 12.058 44.397 1.00 16.36 C ATOM 1803 O SER A 139 46.615 12.671 44.436 1.00 16.12 O ATOM 1804 CB SER A 139 47.725 9.568 43.676 1.00 14.35 C ATOM 1805 OG SER A 139 46.388 9.589 43.165 1.00 15.41 O ATOM 0 H SER A 139 45.923 10.550 45.581 1.00 16.39 H new ATOM 0 HA SER A 139 48.648 10.539 45.303 1.00 16.01 H new ATOM 0 HB2 SER A 139 48.360 9.810 42.983 1.00 14.35 H new ATOM 0 HB3 SER A 139 47.961 8.677 43.979 1.00 14.35 H new ATOM 0 HG SER A 139 45.958 8.938 43.477 1.00 15.41 H new ATOM 1811 N GLY A 140 48.797 12.589 43.964 1.00 14.62 N ATOM 1812 CA GLY A 140 48.817 13.979 43.493 1.00 14.24 C ATOM 1813 C GLY A 140 50.210 14.530 43.323 1.00 15.84 C ATOM 1814 O GLY A 140 51.187 13.899 43.697 1.00 13.08 O ATOM 0 H GLY A 140 49.553 12.180 43.929 1.00 14.62 H new ATOM 0 HA2 GLY A 140 48.348 14.034 42.645 1.00 14.24 H new ATOM 0 HA3 GLY A 140 48.331 14.534 44.122 1.00 14.24 H new ATOM 1818 N TRP A 141 50.235 15.707 42.748 1.00 15.23 N ATOM 1819 CA TRP A 141 51.482 16.490 42.451 1.00 14.94 C ATOM 1820 C TRP A 141 51.571 17.720 43.408 1.00 16.05 C ATOM 1821 O TRP A 141 52.158 18.734 43.097 1.00 16.74 O ATOM 1822 CB TRP A 141 51.424 16.996 41.013 1.00 13.08 C ATOM 1823 CG TRP A 141 51.566 15.953 39.900 1.00 15.02 C ATOM 1824 CD1 TRP A 141 52.774 15.497 39.448 1.00 15.87 C ATOM 1825 CD2 TRP A 141 50.560 15.359 39.174 1.00 17.56 C ATOM 1826 NE1 TRP A 141 52.437 14.657 38.475 1.00 17.09 N ATOM 1827 CE2 TRP A 141 51.145 14.489 38.220 1.00 16.33 C ATOM 1828 CE3 TRP A 141 49.147 15.467 39.209 1.00 15.15 C ATOM 1829 CZ2 TRP A 141 50.347 13.753 37.328 1.00 15.73 C ATOM 1830 CZ3 TRP A 141 48.344 14.727 38.300 1.00 14.69 C ATOM 1831 CH2 TRP A 141 48.944 13.869 37.362 1.00 15.16 C ATOM 0 H TRP A 141 49.518 16.112 42.500 1.00 15.23 H new ATOM 0 HA TRP A 141 52.256 15.919 42.577 1.00 14.94 H new ATOM 0 HB2 TRP A 141 50.579 17.455 40.889 1.00 13.08 H new ATOM 0 HB3 TRP A 141 52.125 17.657 40.898 1.00 13.08 H new ATOM 0 HD1 TRP A 141 53.625 15.721 39.749 1.00 15.87 H new ATOM 0 HE1 TRP A 141 53.037 14.236 38.025 1.00 17.09 H new ATOM 0 HE3 TRP A 141 48.742 16.027 39.832 1.00 15.15 H new ATOM 0 HZ2 TRP A 141 50.748 13.185 36.711 1.00 15.73 H new ATOM 0 HZ3 TRP A 141 47.418 14.811 38.326 1.00 14.69 H new ATOM 0 HH2 TRP A 141 48.419 13.382 36.769 1.00 15.16 H new ATOM 1842 N GLY A 142 51.011 17.616 44.569 1.00 17.52 N ATOM 1843 CA GLY A 142 51.052 18.770 45.528 1.00 17.82 C ATOM 1844 C GLY A 142 52.320 18.838 46.326 1.00 17.15 C ATOM 1845 O GLY A 142 53.167 17.979 46.180 1.00 18.53 O ATOM 0 H GLY A 142 50.600 16.917 44.855 1.00 17.52 H new ATOM 0 HA2 GLY A 142 50.945 19.597 45.033 1.00 17.82 H new ATOM 0 HA3 GLY A 142 50.299 18.704 46.136 1.00 17.82 H new ATOM 1849 N ASN A 143 52.387 19.851 47.135 1.00 19.52 N ATOM 1850 CA ASN A 143 53.587 20.082 48.001 1.00 24.15 C ATOM 1851 C ASN A 143 53.964 18.815 48.762 1.00 26.17 C ATOM 1852 O ASN A 143 53.072 18.072 49.171 1.00 23.96 O ATOM 1853 CB ASN A 143 53.253 21.248 48.980 1.00 25.44 C ATOM 1854 CG ASN A 143 54.482 21.750 49.773 1.00 25.63 C ATOM 1855 OD1 ASN A 143 55.621 21.448 49.478 1.00 28.80 O ATOM 1856 ND2 ASN A 143 54.308 22.531 50.794 1.00 24.99 N ATOM 0 H ASN A 143 51.765 20.438 47.224 1.00 19.52 H new ATOM 0 HA ASN A 143 54.353 20.318 47.454 1.00 24.15 H new ATOM 0 HB2 ASN A 143 52.876 21.987 48.477 1.00 25.44 H new ATOM 0 HB3 ASN A 143 52.571 20.953 49.604 1.00 25.44 H new ATOM 0 HD21 ASN A 143 54.987 22.817 51.237 1.00 24.99 H new ATOM 0 HD22 ASN A 143 53.513 22.763 51.028 1.00 24.99 H new ATOM 1863 N THR A 144 55.251 18.608 48.927 1.00 27.66 N ATOM 1864 CA THR A 144 55.779 17.408 49.646 1.00 28.10 C ATOM 1865 C THR A 144 56.433 17.739 50.951 1.00 28.63 C ATOM 1866 O THR A 144 56.936 16.820 51.568 1.00 28.03 O ATOM 1867 CB THR A 144 56.811 16.702 48.755 1.00 28.36 C ATOM 1868 OG1 THR A 144 57.713 17.755 48.402 1.00 31.41 O ATOM 1869 CG2 THR A 144 56.188 16.168 47.439 1.00 26.20 C ATOM 0 H THR A 144 55.861 19.141 48.637 1.00 27.66 H new ATOM 0 HA THR A 144 55.017 16.839 49.837 1.00 28.10 H new ATOM 0 HB THR A 144 57.206 15.944 49.214 1.00 28.36 H new ATOM 0 HG1 THR A 144 58.320 17.450 47.908 1.00 31.41 H new ATOM 0 HG21 THR A 144 56.874 15.731 46.910 1.00 26.20 H new ATOM 0 HG22 THR A 144 55.487 15.531 47.648 1.00 26.20 H new ATOM 0 HG23 THR A 144 55.813 16.907 46.935 1.00 26.20 H new ATOM 1877 N LYS A 145 56.417 18.981 51.332 1.00 31.47 N ATOM 1878 CA LYS A 145 57.057 19.369 52.622 1.00 36.52 C ATOM 1879 C LYS A 145 56.032 19.907 53.611 1.00 39.04 C ATOM 1880 O LYS A 145 55.183 20.683 53.238 1.00 41.49 O ATOM 1881 CB LYS A 145 58.112 20.443 52.310 1.00 37.22 C ATOM 1882 CG LYS A 145 59.211 19.849 51.378 1.00 37.38 C ATOM 1883 CD LYS A 145 60.210 18.971 52.193 0.10 37.20 C ATOM 1884 CE LYS A 145 61.128 18.180 51.230 0.10 37.29 C ATOM 1885 NZ LYS A 145 60.365 17.060 50.606 0.10 37.02 N ATOM 0 H LYS A 145 56.057 19.626 50.892 1.00 31.47 H new ATOM 0 HA LYS A 145 57.466 18.591 53.033 1.00 36.52 H new ATOM 0 HB2 LYS A 145 57.692 21.206 51.883 1.00 37.22 H new ATOM 0 HB3 LYS A 145 58.513 20.763 53.133 1.00 37.22 H new ATOM 0 HG2 LYS A 145 58.797 19.315 50.682 1.00 37.38 H new ATOM 0 HG3 LYS A 145 59.690 20.568 50.937 1.00 37.38 H new ATOM 0 HD2 LYS A 145 60.746 19.533 52.774 0.10 37.20 H new ATOM 0 HD3 LYS A 145 59.722 18.357 52.763 0.10 37.20 H new ATOM 0 HE2 LYS A 145 61.473 18.770 50.542 0.10 37.29 H new ATOM 0 HE3 LYS A 145 61.893 17.831 51.714 0.10 37.29 H new ATOM 0 HZ1 LYS A 145 60.928 16.517 50.182 0.10 37.02 H new ATOM 0 HZ2 LYS A 145 59.934 16.605 51.238 0.10 37.02 H new ATOM 0 HZ3 LYS A 145 59.777 17.389 50.025 0.10 37.02 H new ATOM 1899 N SER A 146 56.130 19.512 54.844 1.00 44.86 N ATOM 1900 CA SER A 146 55.163 19.999 55.885 1.00 47.35 C ATOM 1901 C SER A 146 55.568 21.447 56.215 1.00 48.26 C ATOM 1902 O SER A 146 54.789 22.378 56.144 1.00 51.33 O ATOM 1903 CB SER A 146 55.272 19.096 57.179 1.00 47.62 C ATOM 1904 OG SER A 146 56.338 18.186 56.868 0.07 46.98 O ATOM 0 H SER A 146 56.730 18.968 55.134 1.00 44.86 H new ATOM 0 HA SER A 146 54.248 19.956 55.567 1.00 47.35 H new ATOM 0 HB2 SER A 146 55.473 19.625 57.967 1.00 47.62 H new ATOM 0 HB3 SER A 146 54.442 18.626 57.357 1.00 47.62 H new ATOM 0 HG SER A 146 56.461 17.666 57.516 0.07 46.98 H new ATOM 1910 N SER A 147 56.806 21.582 56.566 0.64 48.03 N ATOM 1911 CA SER A 147 57.360 22.905 56.920 0.30 48.24 C ATOM 1912 C SER A 147 58.272 23.252 55.752 0.64 47.56 C ATOM 1913 O SER A 147 59.481 23.173 55.846 0.64 49.64 O ATOM 1914 CB SER A 147 58.134 22.753 58.234 0.30 48.44 C ATOM 1915 OG SER A 147 57.253 21.988 59.063 0.30 49.24 O ATOM 0 H SER A 147 57.368 20.933 56.615 0.64 48.03 H new ATOM 0 HA SER A 147 56.698 23.601 57.056 0.30 48.24 H new ATOM 0 HB2 SER A 147 58.980 22.298 58.098 0.30 48.44 H new ATOM 0 HB3 SER A 147 58.336 23.615 58.630 0.30 48.44 H new ATOM 0 HG SER A 147 57.613 21.860 59.811 0.30 49.24 H new ATOM 1921 N GLY A 148 57.695 23.621 54.653 0.68 46.06 N ATOM 1922 CA GLY A 148 58.550 23.973 53.487 0.68 45.63 C ATOM 1923 C GLY A 148 57.756 23.834 52.208 0.68 45.27 C ATOM 1924 O GLY A 148 56.600 23.459 52.247 0.68 45.02 O ATOM 0 H GLY A 148 56.846 23.684 54.530 0.68 46.06 H new ATOM 0 HA2 GLY A 148 58.876 24.882 53.578 0.68 45.63 H new ATOM 0 HA3 GLY A 148 59.328 23.394 53.459 0.68 45.63 H new ATOM 1928 N THR A 149 58.369 24.149 51.107 0.86 42.77 N ATOM 1929 CA THR A 149 57.654 24.039 49.820 0.38 42.14 C ATOM 1930 C THR A 149 58.520 23.277 48.809 0.86 40.64 C ATOM 1931 O THR A 149 59.654 23.672 48.604 0.86 43.09 O ATOM 1932 CB THR A 149 57.382 25.466 49.374 0.38 42.31 C ATOM 1933 OG1 THR A 149 56.731 26.101 50.469 0.38 41.62 O ATOM 1934 CG2 THR A 149 56.350 25.527 48.256 0.38 43.91 C ATOM 0 H THR A 149 59.182 24.426 51.056 0.86 42.77 H new ATOM 0 HA THR A 149 56.823 23.545 49.897 0.38 42.14 H new ATOM 0 HB THR A 149 58.219 25.863 49.086 0.38 42.31 H new ATOM 0 HG1 THR A 149 56.560 26.899 50.269 0.38 41.62 H new ATOM 0 HG21 THR A 149 56.204 26.451 48.000 0.38 43.91 H new ATOM 0 HG22 THR A 149 56.672 25.027 47.490 0.38 43.91 H new ATOM 0 HG23 THR A 149 55.515 25.142 48.565 0.38 43.91 H new ATOM 1942 N SER A 150 58.029 22.229 48.215 1.00 35.97 N ATOM 1943 CA SER A 150 58.819 21.483 47.221 1.00 31.77 C ATOM 1944 C SER A 150 57.680 20.845 46.476 1.00 29.82 C ATOM 1945 O SER A 150 56.903 20.076 47.023 1.00 27.27 O ATOM 1946 CB SER A 150 59.701 20.417 47.873 1.00 33.53 C ATOM 1947 OG SER A 150 60.551 19.991 46.804 1.00 34.54 O ATOM 0 H SER A 150 57.241 21.915 48.358 1.00 35.97 H new ATOM 0 HA SER A 150 59.439 22.014 46.698 1.00 31.77 H new ATOM 0 HB2 SER A 150 60.212 20.780 48.613 1.00 33.53 H new ATOM 0 HB3 SER A 150 59.174 19.683 48.225 1.00 33.53 H new ATOM 0 HG SER A 150 61.076 19.397 47.083 1.00 34.54 H new ATOM 1953 N TYR A 151 57.616 21.206 45.243 1.00 27.04 N ATOM 1954 CA TYR A 151 56.550 20.655 44.394 1.00 24.71 C ATOM 1955 C TYR A 151 57.211 19.642 43.511 1.00 23.42 C ATOM 1956 O TYR A 151 58.188 19.989 42.869 1.00 24.77 O ATOM 1957 CB TYR A 151 55.932 21.784 43.559 1.00 25.65 C ATOM 1958 CG TYR A 151 54.852 22.437 44.432 1.00 26.96 C ATOM 1959 CD1 TYR A 151 53.535 22.018 44.325 1.00 30.20 C ATOM 1960 CD2 TYR A 151 55.168 23.410 45.331 1.00 28.16 C ATOM 1961 CE1 TYR A 151 52.549 22.561 45.106 1.00 31.51 C ATOM 1962 CE2 TYR A 151 54.181 23.952 46.109 1.00 31.67 C ATOM 1963 CZ TYR A 151 52.864 23.534 46.009 1.00 33.58 C ATOM 1964 OH TYR A 151 51.891 24.089 46.822 1.00 36.48 O ATOM 0 H TYR A 151 58.154 21.755 44.857 1.00 27.04 H new ATOM 0 HA TYR A 151 55.838 20.250 44.913 1.00 24.71 H new ATOM 0 HB2 TYR A 151 56.607 22.432 43.303 1.00 25.65 H new ATOM 0 HB3 TYR A 151 55.548 21.436 42.739 1.00 25.65 H new ATOM 0 HD1 TYR A 151 53.316 21.355 43.711 1.00 30.20 H new ATOM 0 HD2 TYR A 151 56.046 23.703 45.415 1.00 28.16 H new ATOM 0 HE1 TYR A 151 51.670 22.268 45.021 1.00 31.51 H new ATOM 0 HE2 TYR A 151 54.400 24.618 46.720 1.00 31.67 H new ATOM 0 HH TYR A 151 52.239 24.669 47.320 1.00 36.48 H new ATOM 1974 N PRO A 152 56.695 18.439 43.468 1.00 22.21 N ATOM 1975 CA PRO A 152 57.282 17.352 42.641 1.00 22.07 C ATOM 1976 C PRO A 152 56.810 17.436 41.162 1.00 22.52 C ATOM 1977 O PRO A 152 55.784 18.035 40.874 1.00 23.24 O ATOM 1978 CB PRO A 152 56.801 16.111 43.347 1.00 22.66 C ATOM 1979 CG PRO A 152 55.351 16.516 43.756 1.00 21.01 C ATOM 1980 CD PRO A 152 55.494 17.974 44.221 1.00 20.01 C ATOM 0 HA PRO A 152 58.249 17.389 42.571 1.00 22.07 H new ATOM 0 HB2 PRO A 152 56.811 15.335 42.765 1.00 22.66 H new ATOM 0 HB3 PRO A 152 57.349 15.895 44.118 1.00 22.66 H new ATOM 0 HG2 PRO A 152 54.736 16.439 43.010 1.00 21.01 H new ATOM 0 HG3 PRO A 152 55.009 15.948 44.465 1.00 21.01 H new ATOM 0 HD2 PRO A 152 54.708 18.500 44.006 1.00 20.01 H new ATOM 0 HD3 PRO A 152 55.623 18.036 45.180 1.00 20.01 H new ATOM 1988 N ASP A 153 57.536 16.834 40.267 1.00 21.57 N ATOM 1989 CA ASP A 153 57.096 16.892 38.849 1.00 22.12 C ATOM 1990 C ASP A 153 56.431 15.581 38.491 1.00 19.83 C ATOM 1991 O ASP A 153 55.703 15.545 37.510 1.00 17.28 O ATOM 1992 CB ASP A 153 58.303 17.162 37.909 1.00 24.86 C ATOM 1993 CG ASP A 153 58.789 18.620 38.155 1.00 31.51 C ATOM 1994 OD1 ASP A 153 57.948 19.486 38.341 1.00 37.96 O ATOM 1995 OD2 ASP A 153 59.986 18.842 38.149 1.00 38.79 O ATOM 0 H ASP A 153 58.261 16.397 40.420 1.00 21.57 H new ATOM 0 HA ASP A 153 56.465 17.620 38.737 1.00 22.12 H new ATOM 0 HB2 ASP A 153 59.019 16.532 38.087 1.00 24.86 H new ATOM 0 HB3 ASP A 153 58.044 17.043 36.982 1.00 24.86 H new ATOM 2000 N VAL A 154 56.680 14.556 39.268 1.00 17.45 N ATOM 2001 CA VAL A 154 56.067 13.222 39.001 1.00 16.34 C ATOM 2002 C VAL A 154 55.061 12.968 40.136 1.00 14.71 C ATOM 2003 O VAL A 154 55.162 13.513 41.221 1.00 15.13 O ATOM 2004 CB VAL A 154 57.149 12.139 38.984 1.00 17.18 C ATOM 2005 CG1 VAL A 154 58.054 12.367 37.743 1.00 17.20 C ATOM 2006 CG2 VAL A 154 57.954 12.144 40.309 1.00 18.46 C ATOM 0 H VAL A 154 57.194 14.584 39.957 1.00 17.45 H new ATOM 0 HA VAL A 154 55.625 13.202 38.138 1.00 16.34 H new ATOM 0 HB VAL A 154 56.744 11.260 38.916 1.00 17.18 H new ATOM 0 HG11 VAL A 154 58.746 11.688 37.718 1.00 17.20 H new ATOM 0 HG12 VAL A 154 57.518 12.312 36.937 1.00 17.20 H new ATOM 0 HG13 VAL A 154 58.464 13.244 37.798 1.00 17.20 H new ATOM 0 HG21 VAL A 154 58.633 11.452 40.278 1.00 18.46 H new ATOM 0 HG22 VAL A 154 58.379 13.008 40.427 1.00 18.46 H new ATOM 0 HG23 VAL A 154 57.355 11.975 41.053 1.00 18.46 H new ATOM 2016 N LEU A 155 54.137 12.112 39.819 1.00 16.15 N ATOM 2017 CA LEU A 155 53.040 11.735 40.753 1.00 16.70 C ATOM 2018 C LEU A 155 53.511 10.987 41.996 1.00 16.74 C ATOM 2019 O LEU A 155 54.301 10.056 41.891 1.00 16.33 O ATOM 2020 CB LEU A 155 52.040 10.892 39.931 1.00 14.89 C ATOM 2021 CG LEU A 155 50.645 10.724 40.630 1.00 15.04 C ATOM 2022 CD1 LEU A 155 49.879 12.097 40.720 1.00 14.53 C ATOM 2023 CD2 LEU A 155 49.825 9.693 39.825 1.00 16.09 C ATOM 0 H LEU A 155 54.101 11.713 39.058 1.00 16.15 H new ATOM 0 HA LEU A 155 52.631 12.540 41.107 1.00 16.70 H new ATOM 0 HB2 LEU A 155 51.912 11.308 39.064 1.00 14.89 H new ATOM 0 HB3 LEU A 155 52.422 10.015 39.771 1.00 14.89 H new ATOM 0 HG LEU A 155 50.774 10.413 41.540 1.00 15.04 H new ATOM 0 HD11 LEU A 155 49.023 11.962 41.155 1.00 14.53 H new ATOM 0 HD12 LEU A 155 50.406 12.729 41.233 1.00 14.53 H new ATOM 0 HD13 LEU A 155 49.735 12.447 39.827 1.00 14.53 H new ATOM 0 HD21 LEU A 155 48.957 9.574 40.241 1.00 16.09 H new ATOM 0 HD22 LEU A 155 49.707 10.012 38.916 1.00 16.09 H new ATOM 0 HD23 LEU A 155 50.295 8.845 39.811 1.00 16.09 H new ATOM 2035 N LYS A 156 52.982 11.440 43.106 1.00 15.00 N ATOM 2036 CA LYS A 156 53.312 10.836 44.411 1.00 16.07 C ATOM 2037 C LYS A 156 52.041 10.157 44.874 1.00 16.62 C ATOM 2038 O LYS A 156 50.958 10.608 44.552 1.00 15.54 O ATOM 2039 CB LYS A 156 53.676 11.888 45.426 1.00 18.38 C ATOM 2040 CG LYS A 156 54.930 12.650 44.964 1.00 21.90 C ATOM 2041 CD LYS A 156 56.182 11.755 45.179 1.00 26.15 C ATOM 2042 CE LYS A 156 57.357 12.330 44.359 1.00 29.17 C ATOM 2043 NZ LYS A 156 58.612 11.686 44.826 1.00 31.55 N ATOM 0 H LYS A 156 52.427 12.096 43.145 1.00 15.00 H new ATOM 0 HA LYS A 156 54.066 10.232 44.324 1.00 16.07 H new ATOM 0 HB2 LYS A 156 52.937 12.506 45.542 1.00 18.38 H new ATOM 0 HB3 LYS A 156 53.839 11.474 46.288 1.00 18.38 H new ATOM 0 HG2 LYS A 156 54.848 12.891 44.028 1.00 21.90 H new ATOM 0 HG3 LYS A 156 55.021 13.477 45.463 1.00 21.90 H new ATOM 0 HD2 LYS A 156 56.414 11.724 46.120 1.00 26.15 H new ATOM 0 HD3 LYS A 156 55.994 10.844 44.903 1.00 26.15 H new ATOM 0 HE2 LYS A 156 57.223 12.162 43.413 1.00 29.17 H new ATOM 0 HE3 LYS A 156 57.409 13.292 44.472 1.00 29.17 H new ATOM 0 HZ1 LYS A 156 59.308 12.195 44.604 1.00 31.55 H new ATOM 0 HZ2 LYS A 156 58.585 11.590 45.710 1.00 31.55 H new ATOM 0 HZ3 LYS A 156 58.696 10.887 44.444 1.00 31.55 H new ATOM 2057 N CYS A 157 52.272 9.124 45.625 1.00 15.86 N ATOM 2058 CA CYS A 157 51.233 8.265 46.215 1.00 16.66 C ATOM 2059 C CYS A 157 51.355 8.169 47.724 1.00 16.65 C ATOM 2060 O CYS A 157 52.413 8.403 48.292 1.00 17.83 O ATOM 2061 CB CYS A 157 51.370 6.904 45.598 1.00 15.76 C ATOM 2062 SG CYS A 157 50.611 6.731 43.978 1.00 19.69 S ATOM 0 H CYS A 157 53.069 8.873 45.828 1.00 15.86 H new ATOM 0 HA CYS A 157 50.361 8.649 46.034 1.00 16.66 H new ATOM 0 HB2 CYS A 157 52.313 6.690 45.524 1.00 15.76 H new ATOM 0 HB3 CYS A 157 50.977 6.250 46.197 1.00 15.76 H new ATOM 2067 N LEU A 158 50.253 7.826 48.335 1.00 17.36 N ATOM 2068 CA LEU A 158 50.227 7.684 49.803 1.00 18.20 C ATOM 2069 C LEU A 158 49.138 6.691 50.170 1.00 19.41 C ATOM 2070 O LEU A 158 48.013 6.830 49.715 1.00 19.38 O ATOM 2071 CB LEU A 158 49.930 9.043 50.423 1.00 18.98 C ATOM 2072 CG LEU A 158 49.622 8.975 51.941 1.00 22.21 C ATOM 2073 CD1 LEU A 158 50.816 8.517 52.762 1.00 23.83 C ATOM 2074 CD2 LEU A 158 49.250 10.378 52.421 1.00 23.50 C ATOM 0 H LEU A 158 49.505 7.668 47.941 1.00 17.36 H new ATOM 0 HA LEU A 158 51.081 7.364 50.134 1.00 18.20 H new ATOM 0 HB2 LEU A 158 50.690 9.629 50.280 1.00 18.98 H new ATOM 0 HB3 LEU A 158 49.174 9.442 49.964 1.00 18.98 H new ATOM 0 HG LEU A 158 48.903 8.335 52.062 1.00 22.21 H new ATOM 0 HD11 LEU A 158 50.573 8.491 53.701 1.00 23.83 H new ATOM 0 HD12 LEU A 158 51.086 7.631 52.474 1.00 23.83 H new ATOM 0 HD13 LEU A 158 51.552 9.136 52.636 1.00 23.83 H new ATOM 0 HD21 LEU A 158 49.054 10.354 53.371 1.00 23.50 H new ATOM 0 HD22 LEU A 158 49.991 10.983 52.260 1.00 23.50 H new ATOM 0 HD23 LEU A 158 48.469 10.689 51.938 1.00 23.50 H new ATOM 2086 N LYS A 159 49.465 5.719 50.968 1.00 20.42 N ATOM 2087 CA LYS A 159 48.428 4.745 51.375 1.00 20.87 C ATOM 2088 C LYS A 159 48.056 5.245 52.784 1.00 21.20 C ATOM 2089 O LYS A 159 48.935 5.500 53.589 1.00 19.99 O ATOM 2090 CB LYS A 159 48.993 3.356 51.470 1.00 23.95 C ATOM 2091 CG LYS A 159 49.095 2.788 50.034 1.00 29.33 C ATOM 2092 CD LYS A 159 49.690 1.353 50.136 1.00 34.97 C ATOM 2093 CE LYS A 159 49.604 0.613 48.775 1.00 38.22 C ATOM 2094 NZ LYS A 159 50.734 0.992 47.882 1.00 41.33 N ATOM 0 H LYS A 159 50.250 5.584 51.292 1.00 20.42 H new ATOM 0 HA LYS A 159 47.687 4.693 50.751 1.00 20.87 H new ATOM 0 HB2 LYS A 159 49.866 3.372 51.892 1.00 23.95 H new ATOM 0 HB3 LYS A 159 48.423 2.794 52.018 1.00 23.95 H new ATOM 0 HG2 LYS A 159 48.221 2.765 49.614 1.00 29.33 H new ATOM 0 HG3 LYS A 159 49.660 3.353 49.484 1.00 29.33 H new ATOM 0 HD2 LYS A 159 50.616 1.403 50.422 1.00 34.97 H new ATOM 0 HD3 LYS A 159 49.211 0.849 50.812 1.00 34.97 H new ATOM 0 HE2 LYS A 159 49.614 -0.345 48.924 1.00 38.22 H new ATOM 0 HE3 LYS A 159 48.762 0.824 48.342 1.00 38.22 H new ATOM 0 HZ1 LYS A 159 50.662 0.555 47.110 1.00 41.33 H new ATOM 0 HZ2 LYS A 159 50.711 1.869 47.730 1.00 41.33 H new ATOM 0 HZ3 LYS A 159 51.505 0.779 48.272 1.00 41.33 H new ATOM 2108 N ALA A 160 46.793 5.393 53.055 1.00 19.56 N ATOM 2109 CA ALA A 160 46.399 5.867 54.404 1.00 19.33 C ATOM 2110 C ALA A 160 45.020 5.268 54.714 1.00 17.37 C ATOM 2111 O ALA A 160 44.233 5.049 53.825 1.00 16.52 O ATOM 2112 CB ALA A 160 46.333 7.418 54.420 1.00 21.64 C ATOM 0 H ALA A 160 46.146 5.238 52.510 1.00 19.56 H new ATOM 0 HA ALA A 160 47.046 5.590 55.072 1.00 19.33 H new ATOM 0 HB1 ALA A 160 46.075 7.722 55.304 1.00 21.64 H new ATOM 0 HB2 ALA A 160 47.204 7.781 54.195 1.00 21.64 H new ATOM 0 HB3 ALA A 160 45.679 7.721 53.771 1.00 21.64 H new ATOM 2118 N PRO A 161 44.737 5.021 55.964 1.00 18.56 N ATOM 2119 CA PRO A 161 43.430 4.491 56.380 1.00 20.49 C ATOM 2120 C PRO A 161 42.411 5.566 56.737 1.00 17.92 C ATOM 2121 O PRO A 161 42.781 6.665 57.103 1.00 16.45 O ATOM 2122 CB PRO A 161 43.749 3.634 57.582 1.00 19.79 C ATOM 2123 CG PRO A 161 44.803 4.567 58.298 1.00 18.91 C ATOM 2124 CD PRO A 161 45.642 5.175 57.138 1.00 18.36 C ATOM 0 HA PRO A 161 43.010 4.006 55.653 1.00 20.49 H new ATOM 0 HB2 PRO A 161 42.970 3.461 58.133 1.00 19.79 H new ATOM 0 HB3 PRO A 161 44.120 2.772 57.337 1.00 19.79 H new ATOM 0 HG2 PRO A 161 44.365 5.260 58.817 1.00 18.91 H new ATOM 0 HG3 PRO A 161 45.361 4.063 58.911 1.00 18.91 H new ATOM 0 HD2 PRO A 161 45.864 6.105 57.303 1.00 18.36 H new ATOM 0 HD3 PRO A 161 46.479 4.702 57.012 1.00 18.36 H new ATOM 2132 N ILE A 162 41.167 5.181 56.630 1.00 17.87 N ATOM 2133 CA ILE A 162 40.077 6.111 56.965 1.00 16.21 C ATOM 2134 C ILE A 162 40.095 6.067 58.481 1.00 14.34 C ATOM 2135 O ILE A 162 40.235 5.015 59.077 1.00 17.96 O ATOM 2136 CB ILE A 162 38.780 5.564 56.405 1.00 17.40 C ATOM 2137 CG1 ILE A 162 38.885 5.607 54.863 1.00 18.24 C ATOM 2138 CG2 ILE A 162 37.605 6.393 56.919 1.00 16.86 C ATOM 2139 CD1 ILE A 162 37.634 5.051 54.209 1.00 20.62 C ATOM 0 H ILE A 162 40.915 4.401 56.371 1.00 17.87 H new ATOM 0 HA ILE A 162 40.168 7.010 56.611 1.00 16.21 H new ATOM 0 HB ILE A 162 38.628 4.650 56.691 1.00 17.40 H new ATOM 0 HG12 ILE A 162 39.025 6.522 54.572 1.00 18.24 H new ATOM 0 HG13 ILE A 162 39.657 5.096 54.575 1.00 18.24 H new ATOM 0 HG21 ILE A 162 36.777 6.039 56.558 1.00 16.86 H new ATOM 0 HG22 ILE A 162 37.579 6.352 57.888 1.00 16.86 H new ATOM 0 HG23 ILE A 162 37.712 7.315 56.638 1.00 16.86 H new ATOM 0 HD11 ILE A 162 37.728 5.090 53.244 1.00 20.62 H new ATOM 0 HD12 ILE A 162 37.507 4.129 54.484 1.00 20.62 H new ATOM 0 HD13 ILE A 162 36.866 5.577 54.480 1.00 20.62 H new ATOM 2151 N LEU A 163 39.940 7.195 59.074 1.00 17.31 N ATOM 2152 CA LEU A 163 39.943 7.296 60.570 1.00 18.70 C ATOM 2153 C LEU A 163 38.470 7.313 61.075 1.00 20.02 C ATOM 2154 O LEU A 163 37.538 7.537 60.318 1.00 19.66 O ATOM 2155 CB LEU A 163 40.642 8.607 60.991 1.00 19.38 C ATOM 2156 CG LEU A 163 42.174 8.668 60.584 1.00 22.90 C ATOM 2157 CD1 LEU A 163 42.691 10.030 61.060 1.00 25.66 C ATOM 2158 CD2 LEU A 163 43.022 7.574 61.300 1.00 24.00 C ATOM 0 H LEU A 163 39.828 7.943 58.665 1.00 17.31 H new ATOM 0 HA LEU A 163 40.415 6.540 60.952 1.00 18.70 H new ATOM 0 HB2 LEU A 163 40.178 9.357 60.587 1.00 19.38 H new ATOM 0 HB3 LEU A 163 40.566 8.711 61.952 1.00 19.38 H new ATOM 0 HG LEU A 163 42.253 8.530 59.627 1.00 22.90 H new ATOM 0 HD11 LEU A 163 43.630 10.117 60.833 1.00 25.66 H new ATOM 0 HD12 LEU A 163 42.187 10.737 60.627 1.00 25.66 H new ATOM 0 HD13 LEU A 163 42.583 10.099 62.022 1.00 25.66 H new ATOM 0 HD21 LEU A 163 43.948 7.649 61.022 1.00 24.00 H new ATOM 0 HD22 LEU A 163 42.962 7.695 62.261 1.00 24.00 H new ATOM 0 HD23 LEU A 163 42.684 6.696 61.064 1.00 24.00 H new ATOM 2170 N SER A 164 38.305 7.075 62.343 1.00 20.03 N ATOM 2171 CA SER A 164 36.946 7.066 62.938 1.00 24.11 C ATOM 2172 C SER A 164 36.411 8.476 62.877 1.00 22.79 C ATOM 2173 O SER A 164 37.198 9.400 62.900 1.00 20.33 O ATOM 2174 CB SER A 164 36.999 6.601 64.452 1.00 25.74 C ATOM 2175 OG SER A 164 37.913 7.461 65.145 1.00 28.02 O ATOM 0 H SER A 164 38.944 6.914 62.896 1.00 20.03 H new ATOM 0 HA SER A 164 36.379 6.450 62.448 1.00 24.11 H new ATOM 0 HB2 SER A 164 36.117 6.649 64.853 1.00 25.74 H new ATOM 0 HB3 SER A 164 37.289 5.677 64.514 1.00 25.74 H new ATOM 0 HG SER A 164 37.956 7.232 65.952 1.00 28.02 H new ATOM 2181 N ASP A 165 35.120 8.629 62.815 1.00 23.47 N ATOM 2182 CA ASP A 165 34.632 10.022 62.768 1.00 26.54 C ATOM 2183 C ASP A 165 34.928 10.690 64.094 1.00 24.37 C ATOM 2184 O ASP A 165 35.045 11.895 64.103 1.00 23.40 O ATOM 2185 CB ASP A 165 33.122 10.043 62.474 1.00 31.23 C ATOM 2186 CG ASP A 165 32.886 9.747 60.953 1.00 36.74 C ATOM 2187 OD1 ASP A 165 33.536 10.388 60.135 1.00 39.73 O ATOM 2188 OD2 ASP A 165 32.059 8.893 60.669 1.00 43.15 O ATOM 0 H ASP A 165 34.527 8.006 62.799 1.00 23.47 H new ATOM 0 HA ASP A 165 35.083 10.506 62.058 1.00 26.54 H new ATOM 0 HB2 ASP A 165 32.667 9.381 63.017 1.00 31.23 H new ATOM 0 HB3 ASP A 165 32.748 10.907 62.708 1.00 31.23 H new ATOM 2193 N SER A 166 35.054 9.959 65.165 1.00 22.85 N ATOM 2194 CA SER A 166 35.352 10.616 66.470 1.00 26.00 C ATOM 2195 C SER A 166 36.747 11.219 66.482 1.00 25.23 C ATOM 2196 O SER A 166 36.915 12.296 67.013 1.00 25.78 O ATOM 2197 CB SER A 166 35.232 9.580 67.626 1.00 31.18 C ATOM 2198 OG SER A 166 35.471 8.329 66.961 1.00 39.57 O ATOM 0 H SER A 166 34.979 9.103 65.191 1.00 22.85 H new ATOM 0 HA SER A 166 34.707 11.330 66.596 1.00 26.00 H new ATOM 0 HB2 SER A 166 35.883 9.745 68.326 1.00 31.18 H new ATOM 0 HB3 SER A 166 34.356 9.605 68.042 1.00 31.18 H new ATOM 0 HG SER A 166 35.426 7.702 67.518 1.00 39.57 H new ATOM 2204 N SER A 167 37.739 10.561 65.933 1.00 25.71 N ATOM 2205 CA SER A 167 39.089 11.191 65.958 1.00 24.50 C ATOM 2206 C SER A 167 39.061 12.349 64.973 1.00 19.15 C ATOM 2207 O SER A 167 39.729 13.342 65.155 1.00 20.72 O ATOM 2208 CB SER A 167 40.180 10.138 65.583 1.00 28.77 C ATOM 2209 OG SER A 167 39.644 9.292 64.586 1.00 37.03 O ATOM 0 H SER A 167 37.686 9.791 65.555 1.00 25.71 H new ATOM 0 HA SER A 167 39.310 11.519 66.844 1.00 24.50 H new ATOM 0 HB2 SER A 167 40.981 10.580 65.259 1.00 28.77 H new ATOM 0 HB3 SER A 167 40.437 9.622 66.364 1.00 28.77 H new ATOM 0 HG SER A 167 39.231 8.657 64.949 1.00 37.03 H new ATOM 2215 N CYS A 168 38.293 12.208 63.932 1.00 18.99 N ATOM 2216 CA CYS A 168 38.190 13.307 62.916 1.00 18.80 C ATOM 2217 C CYS A 168 37.539 14.543 63.599 1.00 17.30 C ATOM 2218 O CYS A 168 38.067 15.630 63.566 1.00 17.17 O ATOM 2219 CB CYS A 168 37.337 12.780 61.753 1.00 18.81 C ATOM 2220 SG CYS A 168 37.232 13.800 60.267 1.00 18.22 S ATOM 0 H CYS A 168 37.817 11.511 63.765 1.00 18.99 H new ATOM 0 HA CYS A 168 39.056 13.576 62.572 1.00 18.80 H new ATOM 0 HB2 CYS A 168 37.685 11.912 61.496 1.00 18.81 H new ATOM 0 HB3 CYS A 168 36.436 12.638 62.083 1.00 18.81 H new ATOM 2225 N LYS A 169 36.401 14.353 64.224 1.00 19.49 N ATOM 2226 CA LYS A 169 35.698 15.477 64.911 1.00 18.69 C ATOM 2227 C LYS A 169 36.466 16.019 66.095 1.00 18.69 C ATOM 2228 O LYS A 169 36.386 17.211 66.297 1.00 19.05 O ATOM 2229 CB LYS A 169 34.336 15.006 65.362 1.00 19.35 C ATOM 2230 CG LYS A 169 33.442 14.816 64.104 1.00 20.50 C ATOM 2231 CD LYS A 169 32.123 14.096 64.473 1.00 22.85 C ATOM 2232 CE LYS A 169 31.182 13.980 63.247 1.00 26.25 C ATOM 2233 NZ LYS A 169 30.045 13.091 63.626 1.00 29.44 N ATOM 0 H LYS A 169 36.000 13.594 64.277 1.00 19.49 H new ATOM 0 HA LYS A 169 35.619 16.203 64.272 1.00 18.69 H new ATOM 0 HB2 LYS A 169 34.412 14.172 65.851 1.00 19.35 H new ATOM 0 HB3 LYS A 169 33.937 15.653 65.965 1.00 19.35 H new ATOM 0 HG2 LYS A 169 33.245 15.679 63.709 1.00 20.50 H new ATOM 0 HG3 LYS A 169 33.921 14.301 63.436 1.00 20.50 H new ATOM 0 HD2 LYS A 169 32.321 13.211 64.816 1.00 22.85 H new ATOM 0 HD3 LYS A 169 31.674 14.582 65.183 1.00 22.85 H new ATOM 0 HE2 LYS A 169 30.856 14.855 62.985 1.00 26.25 H new ATOM 0 HE3 LYS A 169 31.659 13.615 62.486 1.00 26.25 H new ATOM 0 HZ1 LYS A 169 29.489 13.009 62.936 1.00 29.44 H new ATOM 0 HZ2 LYS A 169 30.358 12.289 63.852 1.00 29.44 H new ATOM 0 HZ3 LYS A 169 29.609 13.444 64.317 1.00 29.44 H new ATOM 2247 N SER A 170 37.164 15.196 66.835 1.00 22.30 N ATOM 2248 CA SER A 170 37.933 15.756 68.012 1.00 22.91 C ATOM 2249 C SER A 170 39.075 16.624 67.496 1.00 24.36 C ATOM 2250 O SER A 170 39.488 17.516 68.214 1.00 23.36 O ATOM 2251 CB ASER A 170 38.513 14.616 68.882 0.19 22.48 C ATOM 2252 CB BSER A 170 38.523 14.616 68.844 0.64 23.34 C ATOM 2253 OG ASER A 170 38.990 13.627 67.977 0.19 22.90 O ATOM 2254 OG BSER A 170 37.390 13.827 69.191 0.64 25.62 O ATOM 0 H SER A 170 37.229 14.347 66.714 1.00 22.30 H new ATOM 0 HA SER A 170 37.328 16.284 68.556 1.00 22.91 H new ATOM 0 HB2ASER A 170 39.230 14.943 69.447 0.19 23.34 H new ATOM 0 HB2BSER A 170 39.172 14.104 68.336 0.64 23.34 H new ATOM 0 HB3ASER A 170 37.834 14.249 69.469 0.19 23.34 H new ATOM 0 HB3BSER A 170 38.979 14.950 69.632 0.64 23.34 H new ATOM 0 HG ASER A 170 38.380 13.070 67.823 0.19 25.62 H new ATOM 0 HG BSER A 170 37.223 13.287 68.569 0.64 25.62 H new ATOM 2263 N ALA A 171 39.543 16.338 66.284 1.00 23.86 N ATOM 2264 CA ALA A 171 40.667 17.137 65.686 1.00 23.40 C ATOM 2265 C ALA A 171 40.118 18.472 65.146 1.00 24.49 C ATOM 2266 O ALA A 171 40.802 19.478 65.183 1.00 23.84 O ATOM 2267 CB ALA A 171 41.341 16.384 64.508 1.00 24.39 C ATOM 0 H ALA A 171 39.245 15.704 65.785 1.00 23.86 H new ATOM 0 HA ALA A 171 41.324 17.285 66.384 1.00 23.40 H new ATOM 0 HB1 ALA A 171 42.060 16.926 64.146 1.00 24.39 H new ATOM 0 HB2 ALA A 171 41.701 15.541 64.826 1.00 24.39 H new ATOM 0 HB3 ALA A 171 40.684 16.214 63.815 1.00 24.39 H new ATOM 2273 N TYR A 172 38.901 18.438 64.665 1.00 21.51 N ATOM 2274 CA TYR A 172 38.270 19.658 64.110 1.00 21.38 C ATOM 2275 C TYR A 172 36.845 19.921 64.704 1.00 21.78 C ATOM 2276 O TYR A 172 35.840 19.730 64.034 1.00 19.27 O ATOM 2277 CB TYR A 172 38.202 19.471 62.593 1.00 21.73 C ATOM 2278 CG TYR A 172 39.573 19.287 61.899 1.00 21.06 C ATOM 2279 CD1 TYR A 172 39.952 18.060 61.392 1.00 20.57 C ATOM 2280 CD2 TYR A 172 40.428 20.360 61.733 1.00 21.24 C ATOM 2281 CE1 TYR A 172 41.143 17.900 60.731 1.00 18.54 C ATOM 2282 CE2 TYR A 172 41.624 20.196 61.071 1.00 19.40 C ATOM 2283 CZ TYR A 172 41.981 18.966 60.567 1.00 17.87 C ATOM 2284 OH TYR A 172 43.159 18.809 59.879 1.00 19.70 O ATOM 0 H TYR A 172 38.408 17.734 64.641 1.00 21.51 H new ATOM 0 HA TYR A 172 38.798 20.436 64.348 1.00 21.38 H new ATOM 0 HB2 TYR A 172 37.650 18.697 62.400 1.00 21.73 H new ATOM 0 HB3 TYR A 172 37.758 20.241 62.205 1.00 21.73 H new ATOM 0 HD1 TYR A 172 39.389 17.328 61.501 1.00 20.57 H new ATOM 0 HD2 TYR A 172 40.195 21.195 62.069 1.00 21.24 H new ATOM 0 HE1 TYR A 172 41.380 17.066 60.395 1.00 18.54 H new ATOM 0 HE2 TYR A 172 42.195 20.922 60.964 1.00 19.40 H new ATOM 0 HH TYR A 172 43.162 18.062 59.495 1.00 19.70 H new ATOM 2294 N PRO A 173 36.746 20.348 65.935 1.00 20.99 N ATOM 2295 CA PRO A 173 35.426 20.483 66.612 1.00 21.52 C ATOM 2296 C PRO A 173 34.511 21.457 65.887 1.00 19.99 C ATOM 2297 O PRO A 173 34.938 22.541 65.550 1.00 23.61 O ATOM 2298 CB PRO A 173 35.753 20.937 68.040 1.00 21.97 C ATOM 2299 CG PRO A 173 37.212 20.435 68.201 1.00 23.39 C ATOM 2300 CD PRO A 173 37.865 20.722 66.822 1.00 22.26 C ATOM 0 HA PRO A 173 34.934 19.647 66.612 1.00 21.52 H new ATOM 0 HB2 PRO A 173 35.685 21.899 68.141 1.00 21.97 H new ATOM 0 HB3 PRO A 173 35.157 20.540 68.694 1.00 21.97 H new ATOM 0 HG2 PRO A 173 37.672 20.903 68.916 1.00 23.39 H new ATOM 0 HG3 PRO A 173 37.240 19.490 68.417 1.00 23.39 H new ATOM 0 HD2 PRO A 173 38.126 21.651 66.720 1.00 22.26 H new ATOM 0 HD3 PRO A 173 38.658 20.185 66.667 1.00 22.26 H new ATOM 2308 N GLY A 174 33.307 21.053 65.665 1.00 20.29 N ATOM 2309 CA GLY A 174 32.286 21.896 64.974 1.00 19.40 C ATOM 2310 C GLY A 174 32.608 22.159 63.521 1.00 20.87 C ATOM 2311 O GLY A 174 31.980 23.022 62.937 1.00 23.13 O ATOM 0 H GLY A 174 33.018 20.278 65.899 1.00 20.29 H new ATOM 0 HA2 GLY A 174 31.422 21.459 65.033 1.00 19.40 H new ATOM 0 HA3 GLY A 174 32.207 22.743 65.439 1.00 19.40 H new ATOM 2315 N GLN A 175 33.546 21.436 62.953 1.00 18.77 N ATOM 2316 CA GLN A 175 33.883 21.682 61.521 1.00 17.95 C ATOM 2317 C GLN A 175 33.616 20.524 60.562 1.00 17.83 C ATOM 2318 O GLN A 175 33.651 20.705 59.353 1.00 19.87 O ATOM 2319 CB GLN A 175 35.370 22.052 61.429 1.00 20.49 C ATOM 2320 CG GLN A 175 35.680 23.406 62.137 1.00 23.46 C ATOM 2321 CD GLN A 175 37.138 23.734 61.811 1.00 27.02 C ATOM 2322 OE1 GLN A 175 38.028 23.171 62.411 1.00 33.46 O ATOM 2323 NE2 GLN A 175 37.459 24.593 60.887 1.00 28.61 N ATOM 0 H GLN A 175 33.998 20.815 63.340 1.00 18.77 H new ATOM 0 HA GLN A 175 33.290 22.395 61.237 1.00 17.95 H new ATOM 0 HB2 GLN A 175 35.903 21.348 61.831 1.00 20.49 H new ATOM 0 HB3 GLN A 175 35.631 22.108 60.497 1.00 20.49 H new ATOM 0 HG2 GLN A 175 35.088 24.106 61.820 1.00 23.46 H new ATOM 0 HG3 GLN A 175 35.547 23.334 63.095 1.00 23.46 H new ATOM 0 HE21 GLN A 175 36.843 25.004 60.449 1.00 28.61 H new ATOM 0 HE22 GLN A 175 38.287 24.750 60.714 1.00 28.61 H new ATOM 2332 N ILE A 176 33.345 19.377 61.101 1.00 19.20 N ATOM 2333 CA ILE A 176 33.099 18.205 60.209 1.00 19.14 C ATOM 2334 C ILE A 176 31.616 17.908 60.057 1.00 18.64 C ATOM 2335 O ILE A 176 30.923 17.856 61.062 1.00 19.64 O ATOM 2336 CB ILE A 176 33.863 16.975 60.834 1.00 19.21 C ATOM 2337 CG1 ILE A 176 35.383 17.363 61.038 1.00 20.34 C ATOM 2338 CG2 ILE A 176 33.764 15.685 59.938 1.00 21.91 C ATOM 2339 CD1 ILE A 176 36.059 17.809 59.681 1.00 20.43 C ATOM 0 H ILE A 176 33.292 19.223 61.945 1.00 19.20 H new ATOM 0 HA ILE A 176 33.425 18.395 59.316 1.00 19.14 H new ATOM 0 HB ILE A 176 33.443 16.766 61.683 1.00 19.21 H new ATOM 0 HG12 ILE A 176 35.450 18.083 61.685 1.00 20.34 H new ATOM 0 HG13 ILE A 176 35.864 16.605 61.406 1.00 20.34 H new ATOM 0 HG21 ILE A 176 34.247 14.958 60.362 1.00 21.91 H new ATOM 0 HG22 ILE A 176 32.833 15.435 59.832 1.00 21.91 H new ATOM 0 HG23 ILE A 176 34.151 15.865 59.067 1.00 21.91 H new ATOM 0 HD11 ILE A 176 36.987 18.039 59.842 1.00 20.43 H new ATOM 0 HD12 ILE A 176 36.013 17.081 59.042 1.00 20.43 H new ATOM 0 HD13 ILE A 176 35.592 18.581 59.325 1.00 20.43 H new ATOM 2351 N THR A 177 31.203 17.720 58.834 1.00 14.55 N ATOM 2352 CA THR A 177 29.785 17.415 58.560 1.00 16.45 C ATOM 2353 C THR A 177 29.756 15.958 58.076 1.00 15.87 C ATOM 2354 O THR A 177 30.760 15.279 57.917 1.00 15.12 O ATOM 2355 CB THR A 177 29.203 18.328 57.426 1.00 16.24 C ATOM 2356 OG1 THR A 177 29.899 17.986 56.209 1.00 15.40 O ATOM 2357 CG2 THR A 177 29.436 19.830 57.719 1.00 15.68 C ATOM 0 H THR A 177 31.707 17.759 58.138 1.00 14.55 H new ATOM 0 HA THR A 177 29.252 17.564 59.357 1.00 16.45 H new ATOM 0 HB THR A 177 28.246 18.184 57.360 1.00 16.24 H new ATOM 0 HG1 THR A 177 29.568 18.415 55.567 1.00 15.40 H new ATOM 0 HG21 THR A 177 29.064 20.362 56.998 1.00 15.68 H new ATOM 0 HG22 THR A 177 29.002 20.068 58.553 1.00 15.68 H new ATOM 0 HG23 THR A 177 30.388 20.002 57.789 1.00 15.68 H new ATOM 2365 N SER A 178 28.571 15.519 57.824 1.00 14.71 N ATOM 2366 CA SER A 178 28.369 14.137 57.341 1.00 19.10 C ATOM 2367 C SER A 178 28.902 13.970 55.902 1.00 16.32 C ATOM 2368 O SER A 178 28.952 12.862 55.400 1.00 17.75 O ATOM 2369 CB SER A 178 26.851 13.858 57.415 1.00 23.02 C ATOM 2370 OG SER A 178 26.242 14.946 56.700 1.00 27.92 O ATOM 0 H SER A 178 27.851 15.980 57.916 1.00 14.71 H new ATOM 0 HA SER A 178 28.860 13.503 57.888 1.00 19.10 H new ATOM 0 HB2 SER A 178 26.630 13.004 57.011 1.00 23.02 H new ATOM 0 HB3 SER A 178 26.544 13.825 58.334 1.00 23.02 H new ATOM 0 HG SER A 178 25.407 14.851 56.703 1.00 27.92 H new ATOM 2376 N ASN A 179 29.303 15.048 55.279 1.00 14.40 N ATOM 2377 CA ASN A 179 29.811 14.933 53.889 1.00 13.87 C ATOM 2378 C ASN A 179 31.322 14.924 53.860 1.00 11.21 C ATOM 2379 O ASN A 179 31.908 15.112 52.811 1.00 14.43 O ATOM 2380 CB ASN A 179 29.325 16.120 53.049 1.00 14.21 C ATOM 2381 CG ASN A 179 27.812 16.063 53.044 1.00 16.21 C ATOM 2382 OD1 ASN A 179 27.217 15.037 52.800 1.00 18.12 O ATOM 2383 ND2 ASN A 179 27.134 17.137 53.312 1.00 19.55 N ATOM 0 H ASN A 179 29.300 15.842 55.609 1.00 14.40 H new ATOM 0 HA ASN A 179 29.475 14.099 53.525 1.00 13.87 H new ATOM 0 HB2 ASN A 179 29.636 16.958 53.425 1.00 14.21 H new ATOM 0 HB3 ASN A 179 29.674 16.068 52.146 1.00 14.21 H new ATOM 0 HD21 ASN A 179 26.274 17.113 53.315 1.00 19.55 H new ATOM 0 HD22 ASN A 179 27.544 17.872 53.487 1.00 19.55 H new ATOM 2390 N MET A 180 31.915 14.709 54.983 1.00 12.45 N ATOM 2391 CA MET A 180 33.393 14.684 55.088 1.00 14.48 C ATOM 2392 C MET A 180 33.903 13.532 55.939 1.00 15.39 C ATOM 2393 O MET A 180 33.160 13.078 56.793 1.00 16.57 O ATOM 2394 CB MET A 180 33.940 15.921 55.812 1.00 13.97 C ATOM 2395 CG MET A 180 33.495 17.268 55.262 1.00 16.14 C ATOM 2396 SD MET A 180 33.897 18.609 56.401 1.00 18.54 S ATOM 2397 CE MET A 180 33.119 20.007 55.566 1.00 17.23 C ATOM 0 H MET A 180 31.503 14.570 55.725 1.00 12.45 H new ATOM 0 HA MET A 180 33.686 14.621 54.165 1.00 14.48 H new ATOM 0 HB2 MET A 180 33.678 15.870 56.745 1.00 13.97 H new ATOM 0 HB3 MET A 180 34.909 15.886 55.787 1.00 13.97 H new ATOM 0 HG2 MET A 180 33.924 17.428 54.407 1.00 16.14 H new ATOM 0 HG3 MET A 180 32.539 17.254 55.101 1.00 16.14 H new ATOM 0 HE1 MET A 180 33.262 20.814 56.084 1.00 17.23 H new ATOM 0 HE2 MET A 180 33.509 20.116 54.685 1.00 17.23 H new ATOM 0 HE3 MET A 180 32.167 19.843 55.479 1.00 17.23 H new ATOM 2407 N PHE A 181 35.120 13.108 55.681 1.00 15.82 N ATOM 2408 CA PHE A 181 35.729 12.016 56.505 1.00 14.58 C ATOM 2409 C PHE A 181 37.227 12.372 56.550 1.00 14.96 C ATOM 2410 O PHE A 181 37.737 13.107 55.713 1.00 14.01 O ATOM 2411 CB PHE A 181 35.490 10.567 55.883 1.00 14.62 C ATOM 2412 CG PHE A 181 36.196 10.210 54.573 1.00 13.00 C ATOM 2413 CD1 PHE A 181 37.499 9.731 54.575 1.00 14.63 C ATOM 2414 CD2 PHE A 181 35.538 10.335 53.356 1.00 15.10 C ATOM 2415 CE1 PHE A 181 38.110 9.387 53.381 1.00 15.69 C ATOM 2416 CE2 PHE A 181 36.156 9.987 52.169 1.00 14.05 C ATOM 2417 CZ PHE A 181 37.443 9.511 52.177 1.00 14.39 C ATOM 0 H PHE A 181 35.622 13.414 55.053 1.00 15.82 H new ATOM 0 HA PHE A 181 35.327 11.966 57.386 1.00 14.58 H new ATOM 0 HB2 PHE A 181 35.755 9.913 56.549 1.00 14.62 H new ATOM 0 HB3 PHE A 181 34.536 10.460 55.743 1.00 14.62 H new ATOM 0 HD1 PHE A 181 37.961 9.641 55.377 1.00 14.63 H new ATOM 0 HD2 PHE A 181 34.666 10.659 53.339 1.00 15.10 H new ATOM 0 HE1 PHE A 181 38.983 9.067 53.389 1.00 15.69 H new ATOM 0 HE2 PHE A 181 35.699 10.076 51.364 1.00 14.05 H new ATOM 0 HZ PHE A 181 37.862 9.274 51.381 1.00 14.39 H new ATOM 2427 N CYS A 182 37.884 11.835 57.535 1.00 15.56 N ATOM 2428 CA CYS A 182 39.338 12.069 57.725 1.00 14.73 C ATOM 2429 C CYS A 182 40.057 10.781 57.386 1.00 16.26 C ATOM 2430 O CYS A 182 39.527 9.699 57.591 1.00 15.13 O ATOM 2431 CB CYS A 182 39.654 12.422 59.180 1.00 15.98 C ATOM 2432 SG CYS A 182 39.169 14.055 59.804 1.00 16.99 S ATOM 0 H CYS A 182 37.527 11.322 58.126 1.00 15.56 H new ATOM 0 HA CYS A 182 39.619 12.805 57.159 1.00 14.73 H new ATOM 0 HB2 CYS A 182 39.232 11.754 59.743 1.00 15.98 H new ATOM 0 HB3 CYS A 182 40.612 12.332 59.303 1.00 15.98 H new ATOM 2437 N ALA A 183 41.243 10.942 56.869 1.00 16.05 N ATOM 2438 CA ALA A 183 42.078 9.780 56.501 1.00 15.75 C ATOM 2439 C ALA A 183 43.479 10.259 56.784 1.00 17.97 C ATOM 2440 O ALA A 183 43.775 11.434 56.611 1.00 17.55 O ATOM 2441 CB ALA A 183 41.955 9.445 55.037 1.00 15.67 C ATOM 0 H ALA A 183 41.604 11.707 56.714 1.00 16.05 H new ATOM 0 HA ALA A 183 41.822 8.980 56.986 1.00 15.75 H new ATOM 0 HB1 ALA A 183 42.515 8.680 54.832 1.00 15.67 H new ATOM 0 HB2 ALA A 183 41.031 9.234 54.830 1.00 15.67 H new ATOM 0 HB3 ALA A 183 42.240 10.205 54.506 1.00 15.67 H new ATOM 2447 N GLY A 184A 44.321 9.370 57.196 1.00 18.46 N ATOM 2448 CA GLY A 184A 45.692 9.796 57.480 1.00 20.16 C ATOM 2449 C GLY A 184A 46.246 9.160 58.723 1.00 22.34 C ATOM 2450 O GLY A 184A 45.870 8.051 59.066 1.00 20.04 O ATOM 0 H GLY A 184A 44.150 8.537 57.322 1.00 18.46 H new ATOM 0 HA2 GLY A 184A 46.260 9.573 56.726 1.00 20.16 H new ATOM 0 HA3 GLY A 184A 45.714 10.761 57.576 1.00 20.16 H new ATOM 2454 N TYR A 184 47.132 9.909 59.324 1.00 25.50 N ATOM 2455 CA TYR A 184 47.841 9.504 60.569 1.00 28.01 C ATOM 2456 C TYR A 184 47.891 10.666 61.561 1.00 31.12 C ATOM 2457 O TYR A 184 48.376 11.746 61.252 1.00 31.82 O ATOM 2458 CB TYR A 184 49.287 9.095 60.240 1.00 28.62 C ATOM 2459 CG TYR A 184 49.292 8.004 59.157 1.00 29.81 C ATOM 2460 CD1 TYR A 184 49.243 8.337 57.820 1.00 29.39 C ATOM 2461 CD2 TYR A 184 49.335 6.669 59.507 1.00 30.60 C ATOM 2462 CE1 TYR A 184 49.237 7.343 56.861 1.00 31.95 C ATOM 2463 CE2 TYR A 184 49.329 5.686 58.551 1.00 28.34 C ATOM 2464 CZ TYR A 184 49.281 6.015 57.225 1.00 29.76 C ATOM 2465 OH TYR A 184 49.275 5.050 56.242 1.00 31.60 O ATOM 0 H TYR A 184 47.361 10.686 59.036 1.00 25.50 H new ATOM 0 HA TYR A 184 47.358 8.759 60.959 1.00 28.01 H new ATOM 0 HB2 TYR A 184 49.788 9.867 59.934 1.00 28.62 H new ATOM 0 HB3 TYR A 184 49.729 8.769 61.040 1.00 28.62 H new ATOM 0 HD1 TYR A 184 49.214 9.231 57.564 1.00 29.39 H new ATOM 0 HD2 TYR A 184 49.369 6.433 60.406 1.00 30.60 H new ATOM 0 HE1 TYR A 184 49.203 7.573 55.960 1.00 31.95 H new ATOM 0 HE2 TYR A 184 49.358 4.792 58.806 1.00 28.34 H new ATOM 0 HH TYR A 184 49.243 5.418 55.488 1.00 31.60 H new ATOM 2475 N LEU A 185 47.399 10.393 62.738 1.00 31.86 N ATOM 2476 CA LEU A 185 47.371 11.413 63.825 1.00 30.76 C ATOM 2477 C LEU A 185 48.777 11.712 64.322 1.00 29.52 C ATOM 2478 O LEU A 185 48.994 12.741 64.919 1.00 28.25 O ATOM 2479 CB LEU A 185 46.497 10.898 64.999 1.00 30.27 C ATOM 2480 CG LEU A 185 45.034 10.679 64.525 1.00 32.64 C ATOM 2481 CD1 LEU A 185 44.195 10.299 65.739 0.88 32.59 C ATOM 2482 CD2 LEU A 185 44.411 11.969 63.908 0.88 33.78 C ATOM 0 H LEU A 185 47.069 9.630 62.957 1.00 31.86 H new ATOM 0 HA LEU A 185 46.991 12.232 63.471 1.00 30.76 H new ATOM 0 HB2 LEU A 185 46.861 10.066 65.341 1.00 30.27 H new ATOM 0 HB3 LEU A 185 46.515 11.537 65.729 1.00 30.27 H new ATOM 0 HG LEU A 185 45.042 9.987 63.845 1.00 32.64 H new ATOM 0 HD11 LEU A 185 43.275 10.157 65.465 0.88 32.59 H new ATOM 0 HD12 LEU A 185 44.544 9.484 66.132 0.88 32.59 H new ATOM 0 HD13 LEU A 185 44.230 11.014 66.394 0.88 32.59 H new ATOM 0 HD21 LEU A 185 43.501 11.786 63.627 0.88 33.78 H new ATOM 0 HD22 LEU A 185 44.408 12.677 64.571 0.88 33.78 H new ATOM 0 HD23 LEU A 185 44.936 12.247 63.141 0.88 33.78 H new ATOM 2494 N GLU A 186 49.706 10.832 64.089 1.00 30.93 N ATOM 2495 CA GLU A 186 51.083 11.130 64.572 1.00 32.25 C ATOM 2496 C GLU A 186 51.694 12.228 63.672 1.00 33.28 C ATOM 2497 O GLU A 186 52.666 12.852 64.040 1.00 35.57 O ATOM 2498 CB GLU A 186 51.923 9.826 64.515 1.00 33.91 C ATOM 2499 CG GLU A 186 52.221 9.401 63.041 0.00 33.55 C ATOM 2500 CD GLU A 186 53.107 8.139 63.004 0.00 33.46 C ATOM 2501 OE1 GLU A 186 52.651 7.129 63.516 0.00 32.87 O ATOM 2502 OE2 GLU A 186 54.195 8.255 62.461 0.00 33.65 O ATOM 0 H GLU A 186 49.601 10.084 63.677 1.00 30.93 H new ATOM 0 HA GLU A 186 51.071 11.450 65.488 1.00 32.25 H new ATOM 0 HB2 GLU A 186 52.758 9.957 64.990 1.00 33.91 H new ATOM 0 HB3 GLU A 186 51.447 9.113 64.969 1.00 33.91 H new ATOM 0 HG2 GLU A 186 51.388 9.230 62.574 0.00 33.55 H new ATOM 0 HG3 GLU A 186 52.664 10.126 62.574 0.00 33.55 H new ATOM 2509 N GLY A 187 51.126 12.431 62.512 1.00 32.92 N ATOM 2510 CA GLY A 187 51.662 13.477 61.598 1.00 32.56 C ATOM 2511 C GLY A 187 52.614 12.785 60.607 1.00 33.48 C ATOM 2512 O GLY A 187 52.687 11.566 60.580 1.00 34.84 O ATOM 0 H GLY A 187 50.444 11.999 62.216 1.00 32.92 H new ATOM 0 HA2 GLY A 187 50.940 13.919 61.125 1.00 32.56 H new ATOM 0 HA3 GLY A 187 52.132 14.161 62.101 1.00 32.56 H new ATOM 2516 N GLY A 188A 53.309 13.538 59.790 1.00 31.03 N ATOM 2517 CA GLY A 188A 54.245 12.871 58.841 1.00 29.72 C ATOM 2518 C GLY A 188A 53.728 12.511 57.466 1.00 28.39 C ATOM 2519 O GLY A 188A 54.436 12.694 56.487 1.00 26.19 O ATOM 0 H GLY A 188A 53.276 14.396 59.748 1.00 31.03 H new ATOM 0 HA2 GLY A 188A 55.014 13.450 58.726 1.00 29.72 H new ATOM 0 HA3 GLY A 188A 54.563 12.057 59.261 1.00 29.72 H new ATOM 2523 N LYS A 188 52.527 12.000 57.402 1.00 27.60 N ATOM 2524 CA LYS A 188 51.945 11.603 56.067 1.00 26.81 C ATOM 2525 C LYS A 188 50.590 12.283 55.849 1.00 23.68 C ATOM 2526 O LYS A 188 49.766 12.188 56.747 1.00 24.14 O ATOM 2527 CB LYS A 188 51.787 10.089 56.061 1.00 26.62 C ATOM 2528 CG LYS A 188 53.173 9.440 56.199 1.00 28.95 C ATOM 2529 CD LYS A 188 53.041 7.990 56.775 1.00 31.57 C ATOM 2530 CE LYS A 188 53.988 7.834 58.009 0.34 31.12 C ATOM 2531 NZ LYS A 188 53.503 8.637 59.181 0.34 30.62 N ATOM 0 H LYS A 188 52.015 11.863 58.080 1.00 27.60 H new ATOM 0 HA LYS A 188 52.532 11.883 55.348 1.00 26.81 H new ATOM 0 HB2 LYS A 188 51.212 9.809 56.791 1.00 26.62 H new ATOM 0 HB3 LYS A 188 51.362 9.800 55.238 1.00 26.62 H new ATOM 0 HG2 LYS A 188 53.611 9.412 55.334 1.00 28.95 H new ATOM 0 HG3 LYS A 188 53.731 9.977 56.783 1.00 28.95 H new ATOM 0 HD2 LYS A 188 52.123 7.817 57.035 1.00 31.57 H new ATOM 0 HD3 LYS A 188 53.270 7.338 56.094 1.00 31.57 H new ATOM 0 HE2 LYS A 188 54.045 6.898 58.258 0.34 31.12 H new ATOM 0 HE3 LYS A 188 54.884 8.119 57.769 0.34 31.12 H new ATOM 0 HZ1 LYS A 188 54.001 8.451 59.895 0.34 30.62 H new ATOM 0 HZ2 LYS A 188 53.567 9.505 58.993 0.34 30.62 H new ATOM 0 HZ3 LYS A 188 52.654 8.432 59.350 0.34 30.62 H new ATOM 2545 N ASP A 189 50.399 12.915 54.706 1.00 20.19 N ATOM 2546 CA ASP A 189 49.103 13.626 54.393 1.00 17.01 C ATOM 2547 C ASP A 189 49.082 14.099 52.917 1.00 19.23 C ATOM 2548 O ASP A 189 50.097 14.014 52.219 1.00 16.96 O ATOM 2549 CB ASP A 189 48.997 14.879 55.329 1.00 18.37 C ATOM 2550 CG ASP A 189 47.635 15.629 55.381 1.00 18.00 C ATOM 2551 OD1 ASP A 189 47.663 16.688 55.970 1.00 19.51 O ATOM 2552 OD2 ASP A 189 46.654 15.137 54.869 1.00 16.84 O ATOM 0 H ASP A 189 50.988 12.961 54.081 1.00 20.19 H new ATOM 0 HA ASP A 189 48.360 13.019 54.535 1.00 17.01 H new ATOM 0 HB2 ASP A 189 49.217 14.598 56.231 1.00 18.37 H new ATOM 0 HB3 ASP A 189 49.677 15.514 55.056 1.00 18.37 H new ATOM 2557 N SER A 190 47.928 14.586 52.479 1.00 18.66 N ATOM 2558 CA SER A 190 47.816 15.111 51.083 1.00 18.77 C ATOM 2559 C SER A 190 48.125 16.621 51.443 1.00 19.91 C ATOM 2560 O SER A 190 48.289 16.974 52.612 1.00 18.15 O ATOM 2561 CB SER A 190 46.371 14.929 50.504 1.00 16.51 C ATOM 2562 OG SER A 190 45.538 15.412 51.536 1.00 15.81 O ATOM 0 H SER A 190 47.206 14.630 52.945 1.00 18.66 H new ATOM 0 HA SER A 190 48.373 14.695 50.407 1.00 18.77 H new ATOM 0 HB2 SER A 190 46.250 15.431 49.683 1.00 16.51 H new ATOM 0 HB3 SER A 190 46.183 14.000 50.299 1.00 16.51 H new ATOM 0 HG SER A 190 45.119 14.771 51.881 1.00 15.81 H new ATOM 2568 N CYS A 191 48.191 17.488 50.473 1.00 20.86 N ATOM 2569 CA CYS A 191 48.514 18.915 50.773 1.00 20.22 C ATOM 2570 C CYS A 191 48.056 19.756 49.582 1.00 21.39 C ATOM 2571 O CYS A 191 47.525 19.236 48.603 1.00 18.16 O ATOM 2572 CB CYS A 191 50.072 18.958 51.007 1.00 22.90 C ATOM 2573 SG CYS A 191 50.799 20.443 51.710 1.00 21.68 S ATOM 0 H CYS A 191 48.061 17.308 49.642 1.00 20.86 H new ATOM 0 HA CYS A 191 48.068 19.271 51.557 1.00 20.22 H new ATOM 0 HB2 CYS A 191 50.303 18.215 51.586 1.00 22.90 H new ATOM 0 HB3 CYS A 191 50.502 18.796 50.153 1.00 22.90 H new ATOM 2578 N GLN A 192 48.272 21.041 49.685 1.00 20.93 N ATOM 2579 CA GLN A 192 47.865 21.963 48.577 1.00 21.60 C ATOM 2580 C GLN A 192 48.520 21.423 47.295 1.00 17.90 C ATOM 2581 O GLN A 192 49.684 21.051 47.281 1.00 18.52 O ATOM 2582 CB AGLN A 192 48.357 23.472 48.809 0.51 23.65 C ATOM 2583 CB BGLN A 192 48.381 23.351 48.914 0.26 21.65 C ATOM 2584 CG AGLN A 192 49.263 23.786 50.058 0.51 26.05 C ATOM 2585 CG BGLN A 192 47.911 24.448 47.941 0.26 23.18 C ATOM 2586 CD AGLN A 192 48.552 24.415 51.276 0.51 28.35 C ATOM 2587 CD BGLN A 192 48.207 25.753 48.658 0.26 24.36 C ATOM 2588 OE1AGLN A 192 47.465 24.991 51.251 0.51 34.21 O ATOM 2589 OE1BGLN A 192 47.395 26.659 48.663 0.26 26.72 O ATOM 2590 NE2AGLN A 192 49.157 24.342 52.419 0.51 29.63 N ATOM 2591 NE2BGLN A 192 49.323 25.919 49.299 0.26 25.62 N ATOM 0 H GLN A 192 48.643 21.423 50.360 1.00 20.93 H new ATOM 0 HA GLN A 192 46.897 21.988 48.528 1.00 21.60 H new ATOM 0 HB2AGLN A 192 48.842 23.749 48.016 0.51 21.65 H new ATOM 0 HB2BGLN A 192 48.095 23.583 49.811 0.26 21.65 H new ATOM 0 HB3AGLN A 192 47.568 24.033 48.869 0.51 21.65 H new ATOM 0 HB3BGLN A 192 49.351 23.332 48.922 0.26 21.65 H new ATOM 0 HG2AGLN A 192 49.685 22.961 50.344 0.51 23.18 H new ATOM 0 HG2BGLN A 192 48.384 24.395 47.096 0.26 23.18 H new ATOM 0 HG3AGLN A 192 49.973 24.384 49.777 0.51 23.18 H new ATOM 0 HG3BGLN A 192 46.965 24.362 47.743 0.26 23.18 H new ATOM 0 HE21AGLN A 192 49.919 23.947 52.478 0.51 25.62 H new ATOM 0 HE21BGLN A 192 49.911 25.291 49.308 0.26 25.62 H new ATOM 0 HE22AGLN A 192 48.797 24.688 53.119 0.51 25.62 H new ATOM 0 HE22BGLN A 192 49.475 26.657 49.714 0.26 25.62 H new ATOM 2606 N GLY A 193 47.733 21.403 46.261 1.00 17.88 N ATOM 2607 CA GLY A 193 48.247 20.895 44.945 1.00 18.95 C ATOM 2608 C GLY A 193 47.652 19.517 44.675 1.00 15.78 C ATOM 2609 O GLY A 193 47.513 19.119 43.535 1.00 16.26 O ATOM 0 H GLY A 193 46.913 21.664 46.260 1.00 17.88 H new ATOM 0 HA2 GLY A 193 48.007 21.508 44.233 1.00 18.95 H new ATOM 0 HA3 GLY A 193 49.216 20.844 44.961 1.00 18.95 H new ATOM 2613 N ASP A 194 47.348 18.834 45.752 1.00 14.77 N ATOM 2614 CA ASP A 194 46.731 17.456 45.688 1.00 15.15 C ATOM 2615 C ASP A 194 45.185 17.571 45.584 1.00 14.79 C ATOM 2616 O ASP A 194 44.496 16.648 45.209 1.00 16.02 O ATOM 2617 CB ASP A 194 47.065 16.674 46.954 1.00 13.77 C ATOM 2618 CG ASP A 194 48.572 16.305 47.033 1.00 13.12 C ATOM 2619 OD1 ASP A 194 49.064 16.305 48.137 1.00 16.52 O ATOM 2620 OD2 ASP A 194 49.164 16.031 46.001 1.00 14.88 O ATOM 0 H ASP A 194 47.479 19.123 46.551 1.00 14.77 H new ATOM 0 HA ASP A 194 47.086 16.999 44.910 1.00 15.15 H new ATOM 0 HB2 ASP A 194 46.821 17.200 47.731 1.00 13.77 H new ATOM 0 HB3 ASP A 194 46.533 15.863 46.982 1.00 13.77 H new ATOM 2625 N SER A 195 44.732 18.740 45.963 1.00 15.99 N ATOM 2626 CA SER A 195 43.272 19.166 45.964 1.00 14.79 C ATOM 2627 C SER A 195 42.489 18.658 44.794 1.00 12.86 C ATOM 2628 O SER A 195 43.009 18.789 43.713 1.00 11.99 O ATOM 2629 CB SER A 195 43.108 20.618 45.804 1.00 17.79 C ATOM 2630 OG SER A 195 44.131 21.083 46.663 1.00 20.03 O ATOM 0 H SER A 195 45.256 19.361 46.245 1.00 15.99 H new ATOM 0 HA SER A 195 42.962 18.815 46.813 1.00 14.79 H new ATOM 0 HB2 SER A 195 43.236 20.906 44.887 1.00 17.79 H new ATOM 0 HB3 SER A 195 42.229 20.923 46.077 1.00 17.79 H new ATOM 2635 N GLY A 196 41.321 18.143 45.056 1.00 12.69 N ATOM 2636 CA GLY A 196 40.464 17.633 43.960 1.00 11.45 C ATOM 2637 C GLY A 196 40.819 16.234 43.540 1.00 12.43 C ATOM 2638 O GLY A 196 40.053 15.601 42.849 1.00 15.08 O ATOM 0 H GLY A 196 40.986 18.068 45.844 1.00 12.69 H new ATOM 0 HA2 GLY A 196 39.537 17.655 44.244 1.00 11.45 H new ATOM 0 HA3 GLY A 196 40.540 18.224 43.195 1.00 11.45 H new ATOM 2642 N GLY A 197 41.949 15.762 43.953 1.00 13.33 N ATOM 2643 CA GLY A 197 42.368 14.385 43.556 1.00 14.94 C ATOM 2644 C GLY A 197 41.721 13.253 44.293 1.00 14.38 C ATOM 2645 O GLY A 197 40.964 13.487 45.213 1.00 14.57 O ATOM 0 H GLY A 197 42.504 16.184 44.456 1.00 13.33 H new ATOM 0 HA2 GLY A 197 42.188 14.274 42.609 1.00 14.94 H new ATOM 0 HA3 GLY A 197 43.328 14.314 43.672 1.00 14.94 H new ATOM 2649 N PRO A 198 42.035 12.056 43.850 1.00 14.88 N ATOM 2650 CA PRO A 198 41.404 10.811 44.335 1.00 15.01 C ATOM 2651 C PRO A 198 41.865 10.160 45.622 1.00 15.56 C ATOM 2652 O PRO A 198 43.016 10.281 45.971 1.00 15.18 O ATOM 2653 CB PRO A 198 41.587 9.819 43.194 1.00 14.43 C ATOM 2654 CG PRO A 198 42.964 10.206 42.635 1.00 13.23 C ATOM 2655 CD PRO A 198 43.026 11.742 42.761 1.00 14.31 C ATOM 0 HA PRO A 198 40.499 11.065 44.577 1.00 15.01 H new ATOM 0 HB2 PRO A 198 41.569 8.901 43.507 1.00 14.43 H new ATOM 0 HB3 PRO A 198 40.889 9.904 42.526 1.00 14.43 H new ATOM 0 HG2 PRO A 198 43.679 9.783 43.136 1.00 13.23 H new ATOM 0 HG3 PRO A 198 43.060 9.925 41.712 1.00 13.23 H new ATOM 0 HD2 PRO A 198 43.918 12.044 42.994 1.00 14.31 H new ATOM 0 HD3 PRO A 198 42.788 12.177 41.927 1.00 14.31 H new ATOM 2663 N VAL A 199 40.930 9.492 46.256 1.00 15.41 N ATOM 2664 CA VAL A 199 41.162 8.733 47.513 1.00 16.21 C ATOM 2665 C VAL A 199 40.382 7.476 47.035 1.00 16.47 C ATOM 2666 O VAL A 199 39.155 7.503 46.967 1.00 13.81 O ATOM 2667 CB VAL A 199 40.481 9.329 48.724 1.00 18.10 C ATOM 2668 CG1 VAL A 199 40.746 8.386 49.926 1.00 16.84 C ATOM 2669 CG2 VAL A 199 41.121 10.717 48.976 1.00 18.92 C ATOM 0 H VAL A 199 40.117 9.453 45.979 1.00 15.41 H new ATOM 0 HA VAL A 199 42.083 8.653 47.806 1.00 16.21 H new ATOM 0 HB VAL A 199 39.524 9.427 48.597 1.00 18.10 H new ATOM 0 HG11 VAL A 199 40.319 8.745 50.720 1.00 16.84 H new ATOM 0 HG12 VAL A 199 40.384 7.507 49.734 1.00 16.84 H new ATOM 0 HG13 VAL A 199 41.701 8.315 50.077 1.00 16.84 H new ATOM 0 HG21 VAL A 199 40.706 11.129 49.749 1.00 18.92 H new ATOM 0 HG22 VAL A 199 42.071 10.611 49.138 1.00 18.92 H new ATOM 0 HG23 VAL A 199 40.987 11.281 48.198 1.00 18.92 H new ATOM 2679 N VAL A 200 41.107 6.439 46.714 1.00 15.38 N ATOM 2680 CA VAL A 200 40.488 5.162 46.222 1.00 15.97 C ATOM 2681 C VAL A 200 40.714 4.090 47.261 1.00 15.30 C ATOM 2682 O VAL A 200 41.847 3.916 47.669 1.00 12.24 O ATOM 2683 CB VAL A 200 41.164 4.802 44.815 1.00 17.57 C ATOM 2684 CG1 VAL A 200 40.731 3.426 44.229 1.00 19.27 C ATOM 2685 CG2 VAL A 200 40.749 5.895 43.792 1.00 17.85 C ATOM 0 H VAL A 200 41.965 6.421 46.763 1.00 15.38 H new ATOM 0 HA VAL A 200 39.531 5.244 46.088 1.00 15.97 H new ATOM 0 HB VAL A 200 42.121 4.758 44.970 1.00 17.57 H new ATOM 0 HG11 VAL A 200 41.179 3.280 43.381 1.00 19.27 H new ATOM 0 HG12 VAL A 200 40.973 2.720 44.848 1.00 19.27 H new ATOM 0 HG13 VAL A 200 39.771 3.420 44.092 1.00 19.27 H new ATOM 0 HG21 VAL A 200 41.147 5.699 42.929 1.00 17.85 H new ATOM 0 HG22 VAL A 200 39.783 5.908 43.706 1.00 17.85 H new ATOM 0 HG23 VAL A 200 41.058 6.761 44.101 1.00 17.85 H new ATOM 2695 N CYS A 201 39.621 3.453 47.610 1.00 16.59 N ATOM 2696 CA CYS A 201 39.644 2.353 48.633 1.00 19.26 C ATOM 2697 C CYS A 201 38.879 1.198 47.999 1.00 18.84 C ATOM 2698 O CYS A 201 37.791 1.413 47.520 1.00 17.05 O ATOM 2699 CB CYS A 201 38.934 2.824 49.909 1.00 20.73 C ATOM 2700 SG CYS A 201 39.194 4.588 50.296 1.00 19.15 S ATOM 0 H CYS A 201 38.843 3.620 47.284 1.00 16.59 H new ATOM 0 HA CYS A 201 40.546 2.094 48.877 1.00 19.26 H new ATOM 0 HB2 CYS A 201 37.982 2.659 49.818 1.00 20.73 H new ATOM 0 HB3 CYS A 201 39.244 2.289 50.657 1.00 20.73 H new ATOM 2705 N SER A 202 39.435 0.024 48.011 1.00 21.04 N ATOM 2706 CA SER A 202 38.805 -1.208 47.417 1.00 23.14 C ATOM 2707 C SER A 202 38.289 -1.074 45.981 1.00 23.38 C ATOM 2708 O SER A 202 37.252 -1.588 45.612 1.00 26.11 O ATOM 2709 CB SER A 202 37.657 -1.646 48.337 1.00 26.03 C ATOM 2710 OG SER A 202 38.299 -1.680 49.622 1.00 28.43 O ATOM 0 H SER A 202 40.206 -0.123 48.363 1.00 21.04 H new ATOM 0 HA SER A 202 39.514 -1.868 47.357 1.00 23.14 H new ATOM 0 HB2 SER A 202 36.917 -1.019 48.318 1.00 26.03 H new ATOM 0 HB3 SER A 202 37.301 -2.513 48.086 1.00 26.03 H new ATOM 0 HG SER A 202 37.743 -1.912 50.207 1.00 28.43 H new ATOM 2716 N GLY A 203 39.048 -0.355 45.190 1.00 20.63 N ATOM 2717 CA GLY A 203 38.697 -0.142 43.758 1.00 19.61 C ATOM 2718 C GLY A 203 37.613 0.902 43.469 1.00 17.15 C ATOM 2719 O GLY A 203 37.189 0.988 42.330 1.00 19.11 O ATOM 0 H GLY A 203 39.776 0.029 45.440 1.00 20.63 H new ATOM 0 HA2 GLY A 203 39.502 0.117 43.283 1.00 19.61 H new ATOM 0 HA3 GLY A 203 38.409 -0.990 43.386 1.00 19.61 H new ATOM 2723 N LYS A 204 37.206 1.649 44.470 1.00 18.54 N ATOM 2724 CA LYS A 204 36.142 2.703 44.293 1.00 21.20 C ATOM 2725 C LYS A 204 36.661 4.081 44.752 1.00 19.95 C ATOM 2726 O LYS A 204 37.457 4.165 45.682 1.00 13.55 O ATOM 2727 CB LYS A 204 34.885 2.426 45.173 1.00 24.82 C ATOM 2728 CG LYS A 204 34.384 1.012 44.992 1.00 27.75 C ATOM 2729 CD LYS A 204 33.663 0.861 43.664 1.00 31.43 C ATOM 2730 CE LYS A 204 33.828 -0.573 43.167 1.00 36.82 C ATOM 2731 NZ LYS A 204 33.693 -1.589 44.265 1.00 41.31 N ATOM 0 H LYS A 204 37.513 1.586 45.271 1.00 18.54 H new ATOM 0 HA LYS A 204 35.915 2.687 43.350 1.00 21.20 H new ATOM 0 HB2 LYS A 204 35.102 2.577 46.106 1.00 24.82 H new ATOM 0 HB3 LYS A 204 34.181 3.052 44.941 1.00 24.82 H new ATOM 0 HG2 LYS A 204 35.129 0.393 45.032 1.00 27.75 H new ATOM 0 HG3 LYS A 204 33.784 0.781 45.719 1.00 27.75 H new ATOM 0 HD2 LYS A 204 32.722 1.073 43.768 1.00 31.43 H new ATOM 0 HD3 LYS A 204 34.024 1.484 43.014 1.00 31.43 H new ATOM 0 HE2 LYS A 204 33.164 -0.752 42.483 1.00 36.82 H new ATOM 0 HE3 LYS A 204 34.698 -0.668 42.749 1.00 36.82 H new ATOM 0 HZ1 LYS A 204 33.435 -2.368 43.919 1.00 41.31 H new ATOM 0 HZ2 LYS A 204 34.477 -1.691 44.673 1.00 41.31 H new ATOM 0 HZ3 LYS A 204 33.086 -1.311 44.854 1.00 41.31 H new ATOM 2745 N LEU A 209 36.143 5.083 44.088 1.00 16.61 N ATOM 2746 CA LEU A 209 36.539 6.476 44.416 1.00 16.72 C ATOM 2747 C LEU A 209 35.714 6.812 45.651 1.00 15.61 C ATOM 2748 O LEU A 209 34.523 7.027 45.520 1.00 19.31 O ATOM 2749 CB LEU A 209 36.179 7.363 43.235 1.00 15.36 C ATOM 2750 CG LEU A 209 36.515 8.817 43.548 1.00 15.26 C ATOM 2751 CD1 LEU A 209 38.011 9.023 43.693 1.00 14.50 C ATOM 2752 CD2 LEU A 209 35.996 9.683 42.386 1.00 17.61 C ATOM 0 H LEU A 209 35.570 5.006 43.452 1.00 16.61 H new ATOM 0 HA LEU A 209 37.486 6.597 44.585 1.00 16.72 H new ATOM 0 HB2 LEU A 209 36.663 7.075 42.446 1.00 15.36 H new ATOM 0 HB3 LEU A 209 35.234 7.278 43.034 1.00 15.36 H new ATOM 0 HG LEU A 209 36.098 9.065 44.388 1.00 15.26 H new ATOM 0 HD11 LEU A 209 38.192 9.955 43.891 1.00 14.50 H new ATOM 0 HD12 LEU A 209 38.346 8.468 44.415 1.00 14.50 H new ATOM 0 HD13 LEU A 209 38.453 8.777 42.865 1.00 14.50 H new ATOM 0 HD21 LEU A 209 36.198 10.615 42.562 1.00 17.61 H new ATOM 0 HD22 LEU A 209 36.426 9.409 41.561 1.00 17.61 H new ATOM 0 HD23 LEU A 209 35.036 9.571 42.302 1.00 17.61 H new ATOM 2764 N GLN A 210 36.325 6.855 46.797 1.00 15.18 N ATOM 2765 CA GLN A 210 35.567 7.166 48.044 1.00 15.75 C ATOM 2766 C GLN A 210 35.781 8.599 48.530 1.00 13.52 C ATOM 2767 O GLN A 210 34.959 9.088 49.277 1.00 12.14 O ATOM 2768 CB GLN A 210 36.000 6.185 49.204 1.00 17.08 C ATOM 2769 CG GLN A 210 35.622 4.707 48.932 1.00 19.58 C ATOM 2770 CD GLN A 210 34.145 4.403 49.219 1.00 22.57 C ATOM 2771 OE1 GLN A 210 33.670 3.302 49.016 1.00 24.04 O ATOM 2772 NE2 GLN A 210 33.358 5.310 49.688 1.00 22.61 N ATOM 0 H GLN A 210 37.166 6.714 46.908 1.00 15.18 H new ATOM 0 HA GLN A 210 34.629 7.056 47.824 1.00 15.75 H new ATOM 0 HB2 GLN A 210 36.960 6.248 49.331 1.00 17.08 H new ATOM 0 HB3 GLN A 210 35.585 6.471 50.033 1.00 17.08 H new ATOM 0 HG2 GLN A 210 35.817 4.494 48.006 1.00 19.58 H new ATOM 0 HG3 GLN A 210 36.178 4.130 49.479 1.00 19.58 H new ATOM 0 HE21 GLN A 210 33.658 6.101 49.844 1.00 22.61 H new ATOM 0 HE22 GLN A 210 32.533 5.124 49.845 1.00 22.61 H new ATOM 2781 N GLY A 211 36.844 9.233 48.137 1.00 11.41 N ATOM 2782 CA GLY A 211 37.062 10.619 48.613 1.00 13.92 C ATOM 2783 C GLY A 211 37.720 11.506 47.584 1.00 12.77 C ATOM 2784 O GLY A 211 38.202 11.030 46.571 1.00 12.07 O ATOM 0 H GLY A 211 37.449 8.917 47.614 1.00 11.41 H new ATOM 0 HA2 GLY A 211 36.209 11.005 48.866 1.00 13.92 H new ATOM 0 HA3 GLY A 211 37.612 10.597 49.412 1.00 13.92 H new ATOM 2788 N ILE A 212 37.692 12.783 47.922 1.00 13.21 N ATOM 2789 CA ILE A 212 38.289 13.878 47.088 1.00 14.50 C ATOM 2790 C ILE A 212 39.108 14.694 48.081 1.00 12.30 C ATOM 2791 O ILE A 212 38.595 15.024 49.137 1.00 11.62 O ATOM 2792 CB ILE A 212 37.179 14.773 46.438 1.00 15.70 C ATOM 2793 CG1 ILE A 212 36.281 13.901 45.450 1.00 16.97 C ATOM 2794 CG2 ILE A 212 37.830 15.916 45.600 1.00 14.59 C ATOM 2795 CD1 ILE A 212 35.105 14.731 44.930 1.00 19.92 C ATOM 0 H ILE A 212 37.326 13.066 48.647 1.00 13.21 H new ATOM 0 HA ILE A 212 38.817 13.529 46.353 1.00 14.50 H new ATOM 0 HB ILE A 212 36.637 15.144 47.152 1.00 15.70 H new ATOM 0 HG12 ILE A 212 36.818 13.588 44.706 1.00 16.97 H new ATOM 0 HG13 ILE A 212 35.951 13.115 45.912 1.00 16.97 H new ATOM 0 HG21 ILE A 212 37.134 16.463 45.203 1.00 14.59 H new ATOM 0 HG22 ILE A 212 38.383 16.466 46.177 1.00 14.59 H new ATOM 0 HG23 ILE A 212 38.378 15.531 44.898 1.00 14.59 H new ATOM 0 HD11 ILE A 212 34.567 14.190 44.331 1.00 19.92 H new ATOM 0 HD12 ILE A 212 34.560 15.024 45.677 1.00 19.92 H new ATOM 0 HD13 ILE A 212 35.441 15.505 44.452 1.00 19.92 H new ATOM 2807 N VAL A 213 40.343 14.980 47.737 1.00 13.35 N ATOM 2808 CA VAL A 213 41.241 15.776 48.633 1.00 13.46 C ATOM 2809 C VAL A 213 40.567 17.156 48.817 1.00 11.51 C ATOM 2810 O VAL A 213 40.409 17.890 47.849 1.00 12.18 O ATOM 2811 CB VAL A 213 42.636 15.891 47.943 1.00 12.96 C ATOM 2812 CG1 VAL A 213 43.572 16.712 48.834 1.00 14.17 C ATOM 2813 CG2 VAL A 213 43.289 14.504 47.766 1.00 14.54 C ATOM 0 H VAL A 213 40.705 14.735 46.996 1.00 13.35 H new ATOM 0 HA VAL A 213 41.374 15.366 49.502 1.00 13.46 H new ATOM 0 HB VAL A 213 42.502 16.306 47.077 1.00 12.96 H new ATOM 0 HG11 VAL A 213 44.441 16.786 48.409 1.00 14.17 H new ATOM 0 HG12 VAL A 213 43.200 17.598 48.965 1.00 14.17 H new ATOM 0 HG13 VAL A 213 43.669 16.272 49.693 1.00 14.17 H new ATOM 0 HG21 VAL A 213 44.152 14.605 47.336 1.00 14.54 H new ATOM 0 HG22 VAL A 213 43.408 14.089 48.635 1.00 14.54 H new ATOM 0 HG23 VAL A 213 42.718 13.945 47.216 1.00 14.54 H new ATOM 2823 N SER A 214 40.219 17.479 50.031 1.00 11.46 N ATOM 2824 CA SER A 214 39.549 18.777 50.276 1.00 13.43 C ATOM 2825 C SER A 214 40.323 19.775 51.158 1.00 12.58 C ATOM 2826 O SER A 214 40.749 20.833 50.691 1.00 13.86 O ATOM 2827 CB SER A 214 38.106 18.385 50.863 1.00 11.76 C ATOM 2828 OG SER A 214 37.321 19.551 51.051 1.00 12.45 O ATOM 0 H SER A 214 40.347 16.992 50.728 1.00 11.46 H new ATOM 0 HA SER A 214 39.489 19.282 49.450 1.00 13.43 H new ATOM 0 HB2 SER A 214 37.656 17.778 50.255 1.00 11.76 H new ATOM 0 HB3 SER A 214 38.209 17.917 51.706 1.00 11.76 H new ATOM 0 HG SER A 214 37.351 20.024 50.357 1.00 12.45 H new ATOM 2834 N TRP A 215 40.504 19.458 52.395 1.00 12.30 N ATOM 2835 CA TRP A 215 41.230 20.409 53.278 1.00 15.78 C ATOM 2836 C TRP A 215 41.916 19.750 54.447 1.00 15.26 C ATOM 2837 O TRP A 215 41.960 18.546 54.547 1.00 13.10 O ATOM 2838 CB TRP A 215 40.221 21.512 53.792 1.00 14.73 C ATOM 2839 CG TRP A 215 39.022 21.025 54.630 1.00 15.85 C ATOM 2840 CD1 TRP A 215 37.867 20.498 54.119 1.00 15.70 C ATOM 2841 CD2 TRP A 215 38.907 21.076 56.002 1.00 16.09 C ATOM 2842 NE1 TRP A 215 37.122 20.264 55.190 1.00 17.04 N ATOM 2843 CE2 TRP A 215 37.645 20.573 56.366 1.00 15.51 C ATOM 2844 CE3 TRP A 215 39.781 21.523 57.001 1.00 14.85 C ATOM 2845 CZ2 TRP A 215 37.263 20.519 57.688 1.00 16.10 C ATOM 2846 CZ3 TRP A 215 39.386 21.465 58.341 1.00 15.67 C ATOM 2847 CH2 TRP A 215 38.126 20.963 58.674 1.00 16.38 C ATOM 0 H TRP A 215 40.238 18.730 52.768 1.00 12.30 H new ATOM 0 HA TRP A 215 41.936 20.807 52.745 1.00 15.78 H new ATOM 0 HB2 TRP A 215 40.719 22.153 54.322 1.00 14.73 H new ATOM 0 HB3 TRP A 215 39.876 21.989 53.021 1.00 14.73 H new ATOM 0 HD1 TRP A 215 37.654 20.341 53.227 1.00 15.70 H new ATOM 0 HE1 TRP A 215 36.334 19.926 55.124 1.00 17.04 H new ATOM 0 HE3 TRP A 215 40.619 21.856 56.774 1.00 14.85 H new ATOM 0 HZ2 TRP A 215 36.426 20.185 57.918 1.00 16.10 H new ATOM 0 HZ3 TRP A 215 39.961 21.760 59.009 1.00 15.67 H new ATOM 0 HH2 TRP A 215 37.865 20.927 59.566 1.00 16.38 H new ATOM 2858 N GLY A 216 42.442 20.552 55.315 1.00 18.87 N ATOM 2859 CA GLY A 216 43.156 20.068 56.522 1.00 19.62 C ATOM 2860 C GLY A 216 43.817 21.276 57.157 1.00 21.82 C ATOM 2861 O GLY A 216 43.642 22.391 56.680 1.00 23.46 O ATOM 0 H GLY A 216 42.411 21.409 55.248 1.00 18.87 H new ATOM 0 HA2 GLY A 216 42.538 19.649 57.142 1.00 19.62 H new ATOM 0 HA3 GLY A 216 43.817 19.399 56.285 1.00 19.62 H new ATOM 2865 N SER A 217 44.556 21.052 58.194 1.00 25.62 N ATOM 2866 CA SER A 217 45.269 22.140 58.925 1.00 28.43 C ATOM 2867 C SER A 217 46.745 21.946 58.550 1.00 28.50 C ATOM 2868 O SER A 217 47.376 21.010 59.023 1.00 30.02 O ATOM 2869 CB SER A 217 45.061 21.959 60.425 1.00 29.78 C ATOM 2870 OG SER A 217 45.604 23.162 60.961 1.00 33.34 O ATOM 0 H SER A 217 44.682 20.268 58.525 1.00 25.62 H new ATOM 0 HA SER A 217 44.952 23.028 58.698 1.00 28.43 H new ATOM 0 HB2 SER A 217 44.123 21.855 60.649 1.00 29.78 H new ATOM 0 HB3 SER A 217 45.521 21.174 60.761 1.00 29.78 H new ATOM 0 HG SER A 217 45.532 23.154 61.798 1.00 33.34 H new ATOM 2876 N GLY A 219 47.235 22.838 57.725 1.00 29.39 N ATOM 2877 CA GLY A 219 48.657 22.737 57.281 1.00 30.08 C ATOM 2878 C GLY A 219 48.690 21.396 56.545 1.00 29.83 C ATOM 2879 O GLY A 219 47.684 21.016 55.943 1.00 29.10 O ATOM 0 H GLY A 219 46.796 23.503 57.402 1.00 29.39 H new ATOM 0 HA2 GLY A 219 48.905 23.473 56.699 1.00 30.08 H new ATOM 0 HA3 GLY A 219 49.270 22.750 58.032 1.00 30.08 H new ATOM 2883 N CYS A 220 49.811 20.746 56.600 1.00 26.45 N ATOM 2884 CA CYS A 220 49.962 19.432 55.945 1.00 26.65 C ATOM 2885 C CYS A 220 50.848 18.616 56.860 1.00 26.48 C ATOM 2886 O CYS A 220 51.844 19.107 57.349 1.00 26.77 O ATOM 2887 CB CYS A 220 50.640 19.553 54.579 1.00 25.26 C ATOM 2888 SG CYS A 220 49.767 20.619 53.420 1.00 24.55 S ATOM 0 H CYS A 220 50.514 21.028 57.007 1.00 26.45 H new ATOM 0 HA CYS A 220 49.092 19.028 55.799 1.00 26.65 H new ATOM 0 HB2 CYS A 220 51.539 19.894 54.704 1.00 25.26 H new ATOM 0 HB3 CYS A 220 50.724 18.668 54.190 1.00 25.26 H new ATOM 2893 N ALA A 221A 50.435 17.399 57.047 1.00 26.66 N ATOM 2894 CA ALA A 221A 51.126 16.386 57.883 1.00 26.74 C ATOM 2895 C ALA A 221A 51.405 16.777 59.318 1.00 26.46 C ATOM 2896 O ALA A 221A 52.391 16.308 59.858 1.00 26.31 O ATOM 2897 CB ALA A 221A 52.463 16.003 57.191 1.00 26.71 C ATOM 0 H ALA A 221A 49.714 17.099 56.686 1.00 26.66 H new ATOM 0 HA ALA A 221A 50.506 15.643 57.948 1.00 26.74 H new ATOM 0 HB1 ALA A 221A 52.927 15.341 57.727 1.00 26.71 H new ATOM 0 HB2 ALA A 221A 52.279 15.636 56.312 1.00 26.71 H new ATOM 0 HB3 ALA A 221A 53.019 16.793 57.102 1.00 26.71 H new ATOM 2903 N GLN A 221 50.561 17.583 59.891 1.00 25.87 N ATOM 2904 CA GLN A 221 50.788 17.990 61.320 1.00 27.65 C ATOM 2905 C GLN A 221 50.152 16.923 62.202 1.00 25.43 C ATOM 2906 O GLN A 221 49.205 16.241 61.846 1.00 24.93 O ATOM 2907 CB GLN A 221 50.128 19.368 61.649 1.00 29.69 C ATOM 2908 CG GLN A 221 50.958 20.520 60.992 1.00 31.78 C ATOM 2909 CD GLN A 221 50.206 21.844 61.147 0.34 32.52 C ATOM 2910 OE1 GLN A 221 50.797 22.897 61.222 0.34 33.46 O ATOM 2911 NE2 GLN A 221 48.907 21.876 61.201 0.34 33.17 N ATOM 0 H GLN A 221 49.862 17.916 59.517 1.00 25.87 H new ATOM 0 HA GLN A 221 51.742 18.076 61.475 1.00 27.65 H new ATOM 0 HB2 GLN A 221 49.216 19.386 61.320 1.00 29.69 H new ATOM 0 HB3 GLN A 221 50.086 19.495 62.610 1.00 29.69 H new ATOM 0 HG2 GLN A 221 51.831 20.582 61.410 1.00 31.78 H new ATOM 0 HG3 GLN A 221 51.107 20.329 60.053 1.00 31.78 H new ATOM 0 HE21 GLN A 221 48.456 21.145 61.151 0.34 33.17 H new ATOM 0 HE22 GLN A 221 48.499 22.628 61.287 0.34 33.17 H new ATOM 2920 N LYS A 222 50.722 16.839 63.359 1.00 27.15 N ATOM 2921 CA LYS A 222 50.265 15.858 64.361 1.00 27.21 C ATOM 2922 C LYS A 222 48.860 16.299 64.767 1.00 26.42 C ATOM 2923 O LYS A 222 48.619 17.476 64.926 1.00 25.85 O ATOM 2924 CB LYS A 222 51.290 15.902 65.531 1.00 27.13 C ATOM 2925 CG LYS A 222 50.921 14.966 66.711 1.00 29.17 C ATOM 2926 CD LYS A 222 51.977 15.176 67.824 0.26 28.27 C ATOM 2927 CE LYS A 222 51.669 14.285 69.033 0.26 28.83 C ATOM 2928 NZ LYS A 222 52.667 14.563 70.108 0.26 28.91 N ATOM 0 H LYS A 222 51.381 17.331 63.612 1.00 27.15 H new ATOM 0 HA LYS A 222 50.220 14.942 64.045 1.00 27.21 H new ATOM 0 HB2 LYS A 222 52.166 15.656 65.194 1.00 27.13 H new ATOM 0 HB3 LYS A 222 51.358 16.813 65.858 1.00 27.13 H new ATOM 0 HG2 LYS A 222 50.032 15.169 67.042 1.00 29.17 H new ATOM 0 HG3 LYS A 222 50.911 14.040 66.421 1.00 29.17 H new ATOM 0 HD2 LYS A 222 52.861 14.971 67.481 0.26 28.27 H new ATOM 0 HD3 LYS A 222 51.987 16.107 68.096 0.26 28.27 H new ATOM 0 HE2 LYS A 222 50.771 14.458 69.357 0.26 28.83 H new ATOM 0 HE3 LYS A 222 51.703 13.350 68.778 0.26 28.83 H new ATOM 0 HZ1 LYS A 222 52.494 14.049 70.814 0.26 28.91 H new ATOM 0 HZ2 LYS A 222 53.486 14.387 69.806 0.26 28.91 H new ATOM 0 HZ3 LYS A 222 52.617 15.419 70.346 0.26 28.91 H new ATOM 2942 N ASN A 223 48.028 15.310 64.917 1.00 27.07 N ATOM 2943 CA ASN A 223 46.587 15.375 65.302 1.00 27.29 C ATOM 2944 C ASN A 223 45.730 16.243 64.398 1.00 28.07 C ATOM 2945 O ASN A 223 44.667 16.655 64.820 1.00 29.37 O ATOM 2946 CB ASN A 223 46.419 15.893 66.748 1.00 27.71 C ATOM 2947 CG ASN A 223 47.079 14.896 67.711 0.53 27.81 C ATOM 2948 OD1 ASN A 223 46.984 13.695 67.578 0.53 28.14 O ATOM 2949 ND2 ASN A 223 47.773 15.319 68.718 0.53 28.54 N ATOM 0 H ASN A 223 48.284 14.498 64.792 1.00 27.07 H new ATOM 0 HA ASN A 223 46.278 14.460 65.215 1.00 27.29 H new ATOM 0 HB2 ASN A 223 46.826 16.769 66.840 1.00 27.71 H new ATOM 0 HB3 ASN A 223 45.478 15.993 66.962 1.00 27.71 H new ATOM 0 HD21 ASN A 223 48.140 14.756 69.254 0.53 28.54 H new ATOM 0 HD22 ASN A 223 47.867 16.163 68.851 0.53 28.54 H new ATOM 2956 N LYS A 224 46.203 16.488 63.194 1.00 27.04 N ATOM 2957 CA LYS A 224 45.482 17.320 62.166 1.00 25.68 C ATOM 2958 C LYS A 224 45.453 16.480 60.868 1.00 23.29 C ATOM 2959 O LYS A 224 46.176 16.816 59.944 1.00 20.43 O ATOM 2960 CB LYS A 224 46.235 18.666 61.867 1.00 26.66 C ATOM 2961 CG LYS A 224 46.073 19.686 63.058 1.00 31.26 C ATOM 2962 CD LYS A 224 44.547 20.104 63.214 1.00 32.99 C ATOM 2963 CE LYS A 224 44.316 21.049 64.418 1.00 33.64 C ATOM 2964 NZ LYS A 224 42.878 21.430 64.493 0.41 32.25 N ATOM 0 H LYS A 224 46.959 16.185 62.919 1.00 27.04 H new ATOM 0 HA LYS A 224 44.597 17.545 62.493 1.00 25.68 H new ATOM 0 HB2 LYS A 224 47.176 18.487 61.717 1.00 26.66 H new ATOM 0 HB3 LYS A 224 45.888 19.060 61.051 1.00 26.66 H new ATOM 0 HG2 LYS A 224 46.392 19.286 63.882 1.00 31.26 H new ATOM 0 HG3 LYS A 224 46.617 20.473 62.896 1.00 31.26 H new ATOM 0 HD2 LYS A 224 44.249 20.541 62.401 1.00 32.99 H new ATOM 0 HD3 LYS A 224 44.005 19.307 63.323 1.00 32.99 H new ATOM 0 HE2 LYS A 224 44.586 20.611 65.240 1.00 33.64 H new ATOM 0 HE3 LYS A 224 44.865 21.843 64.326 1.00 33.64 H new ATOM 0 HZ1 LYS A 224 42.770 22.061 65.111 0.41 32.25 H new ATOM 0 HZ2 LYS A 224 42.611 21.741 63.703 0.41 32.25 H new ATOM 0 HZ3 LYS A 224 42.392 20.716 64.710 0.41 32.25 H new ATOM 2978 N PRO A 225 44.659 15.415 60.818 1.00 20.69 N ATOM 2979 CA PRO A 225 44.579 14.580 59.572 1.00 20.85 C ATOM 2980 C PRO A 225 43.920 15.316 58.381 1.00 17.67 C ATOM 2981 O PRO A 225 43.324 16.370 58.511 1.00 18.94 O ATOM 2982 CB PRO A 225 43.823 13.303 60.044 1.00 20.77 C ATOM 2983 CG PRO A 225 42.933 13.805 61.253 1.00 21.62 C ATOM 2984 CD PRO A 225 43.778 14.904 61.938 1.00 21.10 C ATOM 0 HA PRO A 225 45.450 14.365 59.203 1.00 20.85 H new ATOM 0 HB2 PRO A 225 43.278 12.930 59.333 1.00 20.77 H new ATOM 0 HB3 PRO A 225 44.440 12.608 60.322 1.00 20.77 H new ATOM 0 HG2 PRO A 225 42.084 14.156 60.943 1.00 21.62 H new ATOM 0 HG3 PRO A 225 42.733 13.081 61.867 1.00 21.62 H new ATOM 0 HD2 PRO A 225 43.220 15.608 62.304 1.00 21.10 H new ATOM 0 HD3 PRO A 225 44.303 14.547 62.672 1.00 21.10 H new ATOM 2992 N GLY A 226 44.035 14.743 57.225 1.00 17.92 N ATOM 2993 CA GLY A 226 43.434 15.397 56.047 1.00 17.07 C ATOM 2994 C GLY A 226 41.936 15.126 56.076 1.00 15.54 C ATOM 2995 O GLY A 226 41.530 14.110 56.612 1.00 16.77 O ATOM 0 H GLY A 226 44.439 13.999 57.075 1.00 17.92 H new ATOM 0 HA2 GLY A 226 43.607 16.351 56.063 1.00 17.07 H new ATOM 0 HA3 GLY A 226 43.826 15.051 55.230 1.00 17.07 H new ATOM 2999 N VAL A 227 41.188 16.027 55.503 1.00 15.15 N ATOM 3000 CA VAL A 227 39.712 15.915 55.441 1.00 14.82 C ATOM 3001 C VAL A 227 39.393 15.788 53.946 1.00 10.59 C ATOM 3002 O VAL A 227 39.876 16.525 53.117 1.00 10.96 O ATOM 3003 CB VAL A 227 39.065 17.182 56.079 1.00 15.69 C ATOM 3004 CG1 VAL A 227 37.530 16.967 56.114 1.00 15.07 C ATOM 3005 CG2 VAL A 227 39.641 17.391 57.530 1.00 15.79 C ATOM 0 H VAL A 227 41.501 16.735 55.129 1.00 15.15 H new ATOM 0 HA VAL A 227 39.361 15.157 55.934 1.00 14.82 H new ATOM 0 HB VAL A 227 39.268 17.976 55.560 1.00 15.69 H new ATOM 0 HG11 VAL A 227 37.103 17.744 56.508 1.00 15.07 H new ATOM 0 HG12 VAL A 227 37.200 16.840 55.211 1.00 15.07 H new ATOM 0 HG13 VAL A 227 37.325 16.182 56.645 1.00 15.07 H new ATOM 0 HG21 VAL A 227 39.239 18.179 57.928 1.00 15.79 H new ATOM 0 HG22 VAL A 227 39.437 16.615 58.074 1.00 15.79 H new ATOM 0 HG23 VAL A 227 40.603 17.508 57.483 1.00 15.79 H new ATOM 3015 N TYR A 228 38.563 14.821 53.685 1.00 12.54 N ATOM 3016 CA TYR A 228 38.102 14.452 52.325 1.00 13.17 C ATOM 3017 C TYR A 228 36.562 14.507 52.130 1.00 13.33 C ATOM 3018 O TYR A 228 35.830 14.270 53.078 1.00 12.07 O ATOM 3019 CB TYR A 228 38.617 12.997 52.077 1.00 11.69 C ATOM 3020 CG TYR A 228 40.140 12.945 52.283 1.00 12.49 C ATOM 3021 CD1 TYR A 228 40.944 13.151 51.176 1.00 13.94 C ATOM 3022 CD2 TYR A 228 40.722 12.763 53.546 1.00 11.18 C ATOM 3023 CE1 TYR A 228 42.306 13.184 51.320 1.00 15.22 C ATOM 3024 CE2 TYR A 228 42.086 12.797 53.694 1.00 12.09 C ATOM 3025 CZ TYR A 228 42.878 13.013 52.570 1.00 14.26 C ATOM 3026 OH TYR A 228 44.245 13.112 52.614 1.00 15.59 O ATOM 0 H TYR A 228 38.224 14.326 54.301 1.00 12.54 H new ATOM 0 HA TYR A 228 38.453 15.098 51.692 1.00 13.17 H new ATOM 0 HB2 TYR A 228 38.178 12.381 52.685 1.00 11.69 H new ATOM 0 HB3 TYR A 228 38.394 12.714 51.176 1.00 11.69 H new ATOM 0 HD1 TYR A 228 40.561 13.267 50.337 1.00 13.94 H new ATOM 0 HD2 TYR A 228 40.180 12.618 54.288 1.00 11.18 H new ATOM 0 HE1 TYR A 228 42.848 13.322 50.577 1.00 15.22 H new ATOM 0 HE2 TYR A 228 42.474 12.678 54.531 1.00 12.09 H new ATOM 0 HH TYR A 228 44.519 12.874 53.371 1.00 15.59 H new ATOM 3036 N THR A 229 36.165 14.813 50.899 1.00 13.45 N ATOM 3037 CA THR A 229 34.716 14.884 50.549 1.00 13.63 C ATOM 3038 C THR A 229 34.319 13.387 50.481 1.00 14.20 C ATOM 3039 O THR A 229 34.985 12.578 49.867 1.00 12.62 O ATOM 3040 CB THR A 229 34.531 15.524 49.178 1.00 14.85 C ATOM 3041 OG1 THR A 229 35.134 16.821 49.247 1.00 16.07 O ATOM 3042 CG2 THR A 229 33.041 15.726 48.886 1.00 16.67 C ATOM 0 H THR A 229 36.700 14.984 50.247 1.00 13.45 H new ATOM 0 HA THR A 229 34.192 15.408 51.175 1.00 13.63 H new ATOM 0 HB THR A 229 34.922 14.963 48.490 1.00 14.85 H new ATOM 0 HG1 THR A 229 34.905 17.273 48.577 1.00 16.07 H new ATOM 0 HG21 THR A 229 32.935 16.133 48.012 1.00 16.67 H new ATOM 0 HG22 THR A 229 32.589 14.868 48.899 1.00 16.67 H new ATOM 0 HG23 THR A 229 32.654 16.305 49.561 1.00 16.67 H new ATOM 3050 N LYS A 230 33.232 13.074 51.103 1.00 13.83 N ATOM 3051 CA LYS A 230 32.729 11.692 51.149 1.00 13.21 C ATOM 3052 C LYS A 230 31.873 11.465 49.920 1.00 13.22 C ATOM 3053 O LYS A 230 30.691 11.701 49.939 1.00 13.16 O ATOM 3054 CB LYS A 230 31.975 11.636 52.425 1.00 17.45 C ATOM 3055 CG LYS A 230 31.602 10.210 52.827 1.00 22.38 C ATOM 3056 CD LYS A 230 30.973 10.320 54.215 1.00 26.86 C ATOM 3057 CE LYS A 230 30.768 8.952 54.786 1.00 33.75 C ATOM 3058 NZ LYS A 230 29.944 9.129 56.017 1.00 37.03 N ATOM 0 H LYS A 230 32.741 13.642 51.522 1.00 13.83 H new ATOM 0 HA LYS A 230 33.405 10.997 51.133 1.00 13.21 H new ATOM 0 HB2 LYS A 230 32.508 12.038 53.129 1.00 17.45 H new ATOM 0 HB3 LYS A 230 31.167 12.167 52.343 1.00 17.45 H new ATOM 0 HG2 LYS A 230 30.980 9.821 52.193 1.00 22.38 H new ATOM 0 HG3 LYS A 230 32.385 9.637 52.844 1.00 22.38 H new ATOM 0 HD2 LYS A 230 31.546 10.841 54.799 1.00 26.86 H new ATOM 0 HD3 LYS A 230 30.125 10.787 54.159 1.00 26.86 H new ATOM 0 HE2 LYS A 230 30.318 8.375 54.149 1.00 33.75 H new ATOM 0 HE3 LYS A 230 31.618 8.534 54.996 1.00 33.75 H new ATOM 0 HZ1 LYS A 230 29.796 8.336 56.392 1.00 37.03 H new ATOM 0 HZ2 LYS A 230 30.377 9.653 56.592 1.00 37.03 H new ATOM 0 HZ3 LYS A 230 29.166 9.505 55.802 1.00 37.03 H new ATOM 3072 N VAL A 231 32.503 11.023 48.883 1.00 13.33 N ATOM 3073 CA VAL A 231 31.830 10.746 47.570 1.00 13.06 C ATOM 3074 C VAL A 231 30.580 9.814 47.600 1.00 12.38 C ATOM 3075 O VAL A 231 29.694 10.021 46.794 1.00 12.64 O ATOM 3076 CB VAL A 231 32.915 10.152 46.591 1.00 15.01 C ATOM 3077 CG1 VAL A 231 32.320 9.884 45.197 1.00 14.68 C ATOM 3078 CG2 VAL A 231 34.096 11.146 46.394 1.00 14.81 C ATOM 0 H VAL A 231 33.347 10.860 48.880 1.00 13.33 H new ATOM 0 HA VAL A 231 31.469 11.597 47.276 1.00 13.06 H new ATOM 0 HB VAL A 231 33.225 9.326 46.995 1.00 15.01 H new ATOM 0 HG11 VAL A 231 33.007 9.520 44.616 1.00 14.68 H new ATOM 0 HG12 VAL A 231 31.591 9.249 45.273 1.00 14.68 H new ATOM 0 HG13 VAL A 231 31.987 10.714 44.822 1.00 14.68 H new ATOM 0 HG21 VAL A 231 34.748 10.758 45.789 1.00 14.81 H new ATOM 0 HG22 VAL A 231 33.762 11.976 46.019 1.00 14.81 H new ATOM 0 HG23 VAL A 231 34.516 11.324 47.250 1.00 14.81 H new ATOM 3088 N CYS A 232 30.529 8.837 48.481 1.00 13.34 N ATOM 3089 CA CYS A 232 29.347 7.920 48.524 1.00 13.76 C ATOM 3090 C CYS A 232 28.084 8.683 48.761 1.00 15.56 C ATOM 3091 O CYS A 232 27.045 8.172 48.427 1.00 18.50 O ATOM 3092 CB CYS A 232 29.532 6.859 49.615 1.00 14.60 C ATOM 3093 SG CYS A 232 29.704 7.446 51.294 1.00 17.38 S ATOM 0 H CYS A 232 31.141 8.669 49.061 1.00 13.34 H new ATOM 0 HA CYS A 232 29.280 7.479 47.663 1.00 13.76 H new ATOM 0 HB2 CYS A 232 28.772 6.257 49.582 1.00 14.60 H new ATOM 0 HB3 CYS A 232 30.319 6.335 49.396 1.00 14.60 H new ATOM 3098 N ASN A 233 28.165 9.862 49.316 1.00 16.58 N ATOM 3099 CA ASN A 233 26.928 10.693 49.565 1.00 17.02 C ATOM 3100 C ASN A 233 26.451 11.435 48.288 1.00 16.28 C ATOM 3101 O ASN A 233 25.340 11.939 48.258 1.00 18.45 O ATOM 3102 CB ASN A 233 27.175 11.815 50.629 1.00 16.74 C ATOM 3103 CG ASN A 233 27.287 11.273 52.047 1.00 19.35 C ATOM 3104 OD1 ASN A 233 27.207 10.077 52.266 1.00 21.39 O ATOM 3105 ND2 ASN A 233 27.466 12.098 53.030 1.00 22.05 N ATOM 0 H ASN A 233 28.901 10.229 49.567 1.00 16.58 H new ATOM 0 HA ASN A 233 26.265 10.054 49.870 1.00 17.02 H new ATOM 0 HB2 ASN A 233 27.989 12.293 50.405 1.00 16.74 H new ATOM 0 HB3 ASN A 233 26.449 12.457 50.590 1.00 16.74 H new ATOM 0 HD21 ASN A 233 27.528 11.801 53.835 1.00 22.05 H new ATOM 0 HD22 ASN A 233 27.523 12.943 52.878 1.00 22.05 H new ATOM 3112 N TYR A 234 27.272 11.476 47.280 1.00 13.60 N ATOM 3113 CA TYR A 234 26.949 12.189 45.998 1.00 14.39 C ATOM 3114 C TYR A 234 26.789 11.334 44.766 1.00 15.83 C ATOM 3115 O TYR A 234 26.744 11.903 43.679 1.00 15.65 O ATOM 3116 CB TYR A 234 28.086 13.228 45.672 1.00 13.83 C ATOM 3117 CG TYR A 234 28.316 14.180 46.822 1.00 12.65 C ATOM 3118 CD1 TYR A 234 27.549 15.318 46.920 1.00 11.66 C ATOM 3119 CD2 TYR A 234 29.269 13.901 47.793 1.00 14.31 C ATOM 3120 CE1 TYR A 234 27.727 16.160 47.977 1.00 13.29 C ATOM 3121 CE2 TYR A 234 29.453 14.745 48.857 1.00 13.51 C ATOM 3122 CZ TYR A 234 28.675 15.880 48.951 1.00 13.12 C ATOM 3123 OH TYR A 234 28.832 16.721 50.024 1.00 14.86 O ATOM 0 H TYR A 234 28.046 11.100 47.284 1.00 13.60 H new ATOM 0 HA TYR A 234 26.082 12.587 46.176 1.00 14.39 H new ATOM 0 HB2 TYR A 234 28.909 12.756 45.472 1.00 13.83 H new ATOM 0 HB3 TYR A 234 27.848 13.731 44.877 1.00 13.83 H new ATOM 0 HD1 TYR A 234 26.913 15.511 46.269 1.00 11.66 H new ATOM 0 HD2 TYR A 234 29.788 13.133 47.720 1.00 14.31 H new ATOM 0 HE1 TYR A 234 27.209 16.929 48.046 1.00 13.29 H new ATOM 0 HE2 TYR A 234 30.092 14.555 49.505 1.00 13.51 H new ATOM 0 HH TYR A 234 28.264 17.338 49.982 1.00 14.86 H new ATOM 3133 N VAL A 235 26.697 10.040 44.901 1.00 14.91 N ATOM 3134 CA VAL A 235 26.564 9.226 43.657 1.00 16.76 C ATOM 3135 C VAL A 235 25.288 9.550 42.849 1.00 13.46 C ATOM 3136 O VAL A 235 25.394 9.680 41.635 1.00 13.19 O ATOM 3137 CB VAL A 235 26.685 7.738 44.122 1.00 18.70 C ATOM 3138 CG1 VAL A 235 26.503 6.806 42.918 1.00 20.88 C ATOM 3139 CG2 VAL A 235 28.126 7.502 44.667 1.00 18.63 C ATOM 0 H VAL A 235 26.706 9.606 45.643 1.00 14.91 H new ATOM 0 HA VAL A 235 27.261 9.434 43.015 1.00 16.76 H new ATOM 0 HB VAL A 235 26.013 7.560 44.798 1.00 18.70 H new ATOM 0 HG11 VAL A 235 26.578 5.884 43.208 1.00 20.88 H new ATOM 0 HG12 VAL A 235 25.628 6.951 42.526 1.00 20.88 H new ATOM 0 HG13 VAL A 235 27.188 6.993 42.257 1.00 20.88 H new ATOM 0 HG21 VAL A 235 28.215 6.581 44.959 1.00 18.63 H new ATOM 0 HG22 VAL A 235 28.771 7.682 43.965 1.00 18.63 H new ATOM 0 HG23 VAL A 235 28.290 8.096 45.416 1.00 18.63 H new ATOM 3149 N SER A 236 24.157 9.675 43.489 1.00 13.02 N ATOM 3150 CA SER A 236 22.922 9.996 42.716 1.00 14.47 C ATOM 3151 C SER A 236 23.068 11.369 42.071 1.00 13.28 C ATOM 3152 O SER A 236 22.703 11.520 40.916 1.00 15.15 O ATOM 3153 CB ASER A 236 21.728 9.985 43.672 0.26 12.23 C ATOM 3154 CB BSER A 236 21.686 9.992 43.645 0.25 12.54 C ATOM 3155 OG ASER A 236 21.934 8.779 44.409 0.26 12.67 O ATOM 3156 OG BSER A 236 22.239 10.221 44.930 0.25 14.12 O ATOM 0 H SER A 236 24.053 9.587 44.338 1.00 13.02 H new ATOM 0 HA SER A 236 22.783 9.337 42.017 1.00 14.47 H new ATOM 0 HB2ASER A 236 21.720 10.764 44.249 0.26 12.54 H new ATOM 0 HB2BSER A 236 21.052 10.684 43.400 0.25 12.54 H new ATOM 0 HB3ASER A 236 20.883 9.977 43.195 0.26 12.54 H new ATOM 0 HB3BSER A 236 21.212 9.147 43.605 0.25 12.54 H new ATOM 0 HG ASER A 236 21.317 8.685 44.971 0.26 14.12 H new ATOM 0 HG BSER A 236 22.593 10.983 44.951 0.25 14.12 H new ATOM 3165 N TRP A 237 23.576 12.319 42.815 1.00 13.87 N ATOM 3166 CA TRP A 237 23.752 13.677 42.221 1.00 14.63 C ATOM 3167 C TRP A 237 24.724 13.535 41.004 1.00 14.73 C ATOM 3168 O TRP A 237 24.484 14.085 39.940 1.00 14.25 O ATOM 3169 CB TRP A 237 24.366 14.715 43.292 1.00 15.11 C ATOM 3170 CG TRP A 237 24.677 16.074 42.581 1.00 14.24 C ATOM 3171 CD1 TRP A 237 23.740 16.958 42.101 1.00 16.22 C ATOM 3172 CD2 TRP A 237 25.919 16.548 42.274 1.00 15.43 C ATOM 3173 NE1 TRP A 237 24.475 17.906 41.531 1.00 16.91 N ATOM 3174 CE2 TRP A 237 25.797 17.754 41.576 1.00 16.30 C ATOM 3175 CE3 TRP A 237 27.202 16.030 42.527 1.00 16.14 C ATOM 3176 CZ2 TRP A 237 26.945 18.419 41.137 1.00 16.60 C ATOM 3177 CZ3 TRP A 237 28.354 16.704 42.093 1.00 15.85 C ATOM 3178 CH2 TRP A 237 28.229 17.901 41.393 1.00 16.47 C ATOM 0 H TRP A 237 23.824 12.233 43.634 1.00 13.87 H new ATOM 0 HA TRP A 237 22.890 14.025 41.944 1.00 14.63 H new ATOM 0 HB2 TRP A 237 23.738 14.855 44.018 1.00 15.11 H new ATOM 0 HB3 TRP A 237 25.175 14.351 43.683 1.00 15.11 H new ATOM 0 HD1 TRP A 237 22.813 16.905 42.161 1.00 16.22 H new ATOM 0 HE1 TRP A 237 24.114 18.587 41.150 1.00 16.91 H new ATOM 0 HE3 TRP A 237 27.288 15.228 42.989 1.00 16.14 H new ATOM 0 HZ2 TRP A 237 26.859 19.217 40.668 1.00 16.60 H new ATOM 0 HZ3 TRP A 237 29.196 16.353 42.272 1.00 15.85 H new ATOM 0 HH2 TRP A 237 28.986 18.354 41.098 1.00 16.47 H new ATOM 3189 N ILE A 238 25.804 12.800 41.149 1.00 14.24 N ATOM 3190 CA ILE A 238 26.740 12.658 39.991 1.00 14.67 C ATOM 3191 C ILE A 238 26.061 11.974 38.785 1.00 15.43 C ATOM 3192 O ILE A 238 26.063 12.469 37.658 1.00 15.22 O ATOM 3193 CB ILE A 238 28.007 11.833 40.479 1.00 16.95 C ATOM 3194 CG1 ILE A 238 28.848 12.695 41.460 1.00 14.26 C ATOM 3195 CG2 ILE A 238 28.887 11.483 39.270 1.00 15.49 C ATOM 3196 CD1 ILE A 238 29.952 11.865 42.145 1.00 15.49 C ATOM 0 H ILE A 238 26.030 12.382 41.866 1.00 14.24 H new ATOM 0 HA ILE A 238 27.012 13.538 39.687 1.00 14.67 H new ATOM 0 HB ILE A 238 27.704 11.024 40.921 1.00 16.95 H new ATOM 0 HG12 ILE A 238 29.251 13.434 40.978 1.00 14.26 H new ATOM 0 HG13 ILE A 238 28.266 13.079 42.134 1.00 14.26 H new ATOM 0 HG21 ILE A 238 29.661 10.979 39.568 1.00 15.49 H new ATOM 0 HG22 ILE A 238 28.376 10.949 38.642 1.00 15.49 H new ATOM 0 HG23 ILE A 238 29.181 12.299 38.836 1.00 15.49 H new ATOM 0 HD11 ILE A 238 30.456 12.433 42.749 1.00 15.49 H new ATOM 0 HD12 ILE A 238 29.548 11.139 42.646 1.00 15.49 H new ATOM 0 HD13 ILE A 238 30.548 11.500 41.472 1.00 15.49 H new ATOM 3208 N LYS A 239 25.485 10.834 39.045 1.00 15.84 N ATOM 3209 CA LYS A 239 24.824 10.117 37.917 1.00 16.29 C ATOM 3210 C LYS A 239 23.765 10.923 37.217 1.00 14.80 C ATOM 3211 O LYS A 239 23.700 10.902 36.019 1.00 15.87 O ATOM 3212 CB LYS A 239 24.231 8.841 38.453 1.00 17.75 C ATOM 3213 CG LYS A 239 25.420 7.912 38.890 1.00 20.82 C ATOM 3214 CD LYS A 239 24.887 6.493 39.281 1.00 21.95 C ATOM 3215 CE LYS A 239 25.268 5.446 38.214 0.06 21.47 C ATOM 3216 NZ LYS A 239 24.141 4.497 38.010 0.06 21.99 N ATOM 0 H LYS A 239 25.449 10.450 39.814 1.00 15.84 H new ATOM 0 HA LYS A 239 25.503 9.941 37.247 1.00 16.29 H new ATOM 0 HB2 LYS A 239 23.648 9.026 39.206 1.00 17.75 H new ATOM 0 HB3 LYS A 239 23.690 8.406 37.776 1.00 17.75 H new ATOM 0 HG2 LYS A 239 26.061 7.835 38.166 1.00 20.82 H new ATOM 0 HG3 LYS A 239 25.888 8.307 39.642 1.00 20.82 H new ATOM 0 HD2 LYS A 239 25.253 6.232 40.140 1.00 21.95 H new ATOM 0 HD3 LYS A 239 23.923 6.522 39.381 1.00 21.95 H new ATOM 0 HE2 LYS A 239 25.484 5.888 37.378 0.06 21.47 H new ATOM 0 HE3 LYS A 239 26.062 4.963 38.493 0.06 21.47 H new ATOM 0 HZ1 LYS A 239 24.367 3.896 37.394 0.06 21.99 H new ATOM 0 HZ2 LYS A 239 23.960 4.082 38.776 0.06 21.99 H new ATOM 0 HZ3 LYS A 239 23.421 4.944 37.738 0.06 21.99 H new ATOM 3230 N GLN A 240 22.970 11.603 37.989 1.00 16.79 N ATOM 3231 CA GLN A 240 21.868 12.444 37.436 1.00 17.08 C ATOM 3232 C GLN A 240 22.416 13.661 36.675 1.00 17.38 C ATOM 3233 O GLN A 240 21.884 14.023 35.631 1.00 17.01 O ATOM 3234 CB GLN A 240 20.963 12.859 38.641 1.00 19.32 C ATOM 3235 CG GLN A 240 19.641 13.524 38.220 0.08 20.08 C ATOM 3236 CD GLN A 240 18.576 13.087 39.235 0.08 20.54 C ATOM 3237 OE1 GLN A 240 18.851 12.887 40.400 0.08 21.72 O ATOM 3238 NE2 GLN A 240 17.347 12.921 38.853 0.08 19.92 N ATOM 0 H GLN A 240 23.027 11.612 38.847 1.00 16.79 H new ATOM 0 HA GLN A 240 21.348 11.946 36.785 1.00 17.08 H new ATOM 0 HB2 GLN A 240 20.765 12.072 39.173 1.00 19.32 H new ATOM 0 HB3 GLN A 240 21.456 13.470 39.211 1.00 19.32 H new ATOM 0 HG2 GLN A 240 19.730 14.490 38.211 0.08 20.08 H new ATOM 0 HG3 GLN A 240 19.391 13.254 37.323 0.08 20.08 H new ATOM 0 HE21 GLN A 240 17.130 13.057 38.032 0.08 19.92 H new ATOM 0 HE22 GLN A 240 16.750 12.675 39.421 0.08 19.92 H new ATOM 3247 N THR A 241 23.450 14.252 37.205 1.00 14.00 N ATOM 3248 CA THR A 241 24.021 15.426 36.527 1.00 13.01 C ATOM 3249 C THR A 241 24.714 15.013 35.249 1.00 13.37 C ATOM 3250 O THR A 241 24.476 15.657 34.236 1.00 15.52 O ATOM 3251 CB THR A 241 25.042 16.160 37.454 1.00 14.81 C ATOM 3252 OG1 THR A 241 24.267 16.595 38.569 1.00 14.37 O ATOM 3253 CG2 THR A 241 25.629 17.463 36.830 1.00 14.16 C ATOM 0 H THR A 241 23.841 14.014 37.933 1.00 14.00 H new ATOM 0 HA THR A 241 23.293 16.031 36.317 1.00 13.01 H new ATOM 0 HB THR A 241 25.779 15.558 37.644 1.00 14.81 H new ATOM 0 HG1 THR A 241 24.225 15.979 39.138 1.00 14.37 H new ATOM 0 HG21 THR A 241 26.253 17.868 37.453 1.00 14.16 H new ATOM 0 HG22 THR A 241 26.091 17.247 36.005 1.00 14.16 H new ATOM 0 HG23 THR A 241 24.909 18.086 36.643 1.00 14.16 H new ATOM 3261 N ILE A 242 25.521 13.983 35.246 1.00 15.32 N ATOM 3262 CA ILE A 242 26.173 13.680 33.932 1.00 16.69 C ATOM 3263 C ILE A 242 25.204 13.212 32.859 1.00 16.99 C ATOM 3264 O ILE A 242 25.423 13.481 31.705 1.00 17.69 O ATOM 3265 CB ILE A 242 27.318 12.647 34.182 1.00 19.47 C ATOM 3266 CG1 ILE A 242 26.801 11.313 34.656 1.00 21.53 C ATOM 3267 CG2 ILE A 242 28.323 13.214 35.268 1.00 19.68 C ATOM 3268 CD1 ILE A 242 28.000 10.386 34.943 1.00 25.06 C ATOM 0 H ILE A 242 25.712 13.471 35.910 1.00 15.32 H new ATOM 0 HA ILE A 242 26.539 14.505 33.576 1.00 16.69 H new ATOM 0 HB ILE A 242 27.765 12.511 33.332 1.00 19.47 H new ATOM 0 HG12 ILE A 242 26.265 11.426 35.457 1.00 21.53 H new ATOM 0 HG13 ILE A 242 26.225 10.918 33.983 1.00 21.53 H new ATOM 0 HG21 ILE A 242 29.032 12.570 35.420 1.00 19.68 H new ATOM 0 HG22 ILE A 242 28.706 14.047 34.951 1.00 19.68 H new ATOM 0 HG23 ILE A 242 27.847 13.373 36.098 1.00 19.68 H new ATOM 0 HD11 ILE A 242 27.677 9.524 35.249 1.00 25.06 H new ATOM 0 HD12 ILE A 242 28.519 10.267 34.132 1.00 25.06 H new ATOM 0 HD13 ILE A 242 28.559 10.783 35.629 1.00 25.06 H new ATOM 3280 N ALA A 243 24.153 12.545 33.242 1.00 17.86 N ATOM 3281 CA ALA A 243 23.166 12.056 32.223 1.00 18.14 C ATOM 3282 C ALA A 243 22.372 13.221 31.656 1.00 19.88 C ATOM 3283 O ALA A 243 21.849 13.121 30.550 1.00 20.14 O ATOM 3284 CB ALA A 243 22.159 11.044 32.854 1.00 17.72 C ATOM 0 H ALA A 243 23.964 12.351 34.058 1.00 17.86 H new ATOM 0 HA ALA A 243 23.670 11.617 31.521 1.00 18.14 H new ATOM 0 HB1 ALA A 243 21.534 10.744 32.176 1.00 17.72 H new ATOM 0 HB2 ALA A 243 22.644 10.281 33.206 1.00 17.72 H new ATOM 0 HB3 ALA A 243 21.673 11.477 33.573 1.00 17.72 H new ATOM 3290 N SER A 244 22.291 14.286 32.410 1.00 17.57 N ATOM 3291 CA SER A 244 21.526 15.427 31.888 1.00 20.58 C ATOM 3292 C SER A 244 22.413 16.543 31.303 1.00 21.75 C ATOM 3293 O SER A 244 21.884 17.599 31.013 1.00 25.01 O ATOM 3294 CB SER A 244 20.709 15.984 33.029 1.00 23.83 C ATOM 3295 OG SER A 244 20.004 14.876 33.582 1.00 27.82 O ATOM 0 H SER A 244 22.644 14.385 33.188 1.00 17.57 H new ATOM 0 HA SER A 244 20.972 15.111 31.158 1.00 20.58 H new ATOM 0 HB2 SER A 244 21.279 16.400 33.694 1.00 23.83 H new ATOM 0 HB3 SER A 244 20.094 16.666 32.716 1.00 23.83 H new ATOM 0 HG SER A 244 20.459 14.535 34.200 1.00 27.82 H new ATOM 3301 N ASN A 245 23.684 16.302 31.141 1.00 19.64 N ATOM 3302 CA ASN A 245 24.608 17.338 30.598 1.00 18.93 C ATOM 3303 C ASN A 245 25.563 16.773 29.525 1.00 19.95 C ATOM 3304 O ASN A 245 26.365 17.579 29.085 1.00 18.91 O ATOM 3305 CB ASN A 245 25.420 17.931 31.793 1.00 18.32 C ATOM 3306 CG ASN A 245 24.536 18.840 32.637 1.00 18.35 C ATOM 3307 OD1 ASN A 245 24.370 20.012 32.364 1.00 20.08 O ATOM 3308 ND2 ASN A 245 23.917 18.386 33.678 1.00 17.57 N ATOM 3309 OXT ASN A 245 25.462 15.600 29.201 1.00 20.15 O ATOM 0 H ASN A 245 24.060 15.552 31.331 1.00 19.64 H new ATOM 0 HA ASN A 245 24.084 18.026 30.159 1.00 18.93 H new ATOM 0 HB2 ASN A 245 25.771 17.212 32.341 1.00 18.32 H new ATOM 0 HB3 ASN A 245 26.181 18.430 31.458 1.00 18.32 H new ATOM 0 HD21 ASN A 245 23.415 18.908 34.142 1.00 17.57 H new ATOM 0 HD22 ASN A 245 24.007 17.562 33.906 1.00 17.57 H new TER 3316 ASN A 245 HETATM 3317 CA CA A 247 54.077 14.878 31.005 1.00 29.95 CA HETATM 3318 CL CL A 299 54.291 19.136 29.683 1.00 41.10 CL HETATM 3319 ZN ZN A 409 43.207 22.603 48.072 0.88 19.83 ZN HETATM 3320 ZN ZN A 410 45.851 27.921 49.833 0.49 44.43 ZN HETATM 3321 ZN ZN A 411 45.678 24.830 53.625 0.58 70.49 ZN HETATM 3322 C1 BAK A 246 45.259 19.640 52.760 1.00 21.79 C HETATM 3323 C2 BAK A 246 44.651 19.247 51.518 1.00 20.70 C HETATM 3324 C3 BAK A 246 44.277 20.181 50.536 1.00 21.53 C HETATM 3325 C4 BAK A 246 44.530 21.512 50.840 1.00 24.64 C HETATM 3326 C5 BAK A 246 45.098 21.925 51.998 1.00 23.06 C HETATM 3327 C6 BAK A 246 45.475 21.031 52.978 1.00 21.70 C HETATM 3328 C7 BAK A 246 45.641 18.698 53.749 1.00 22.00 C HETATM 3329 C8 BAK A 246 44.737 23.608 50.802 1.00 25.01 C HETATM 3330 C9 BAK A 246 44.752 24.956 50.285 0.52 24.38 C HETATM 3331 N1 BAK A 246 46.394 19.084 54.739 1.00 21.67 N HETATM 3332 N2 BAK A 246 45.255 17.447 53.689 1.00 20.57 N HETATM 3333 N3 BAK A 246 44.321 22.579 50.135 1.00 24.05 N HETATM 3334 N4 BAK A 246 45.218 23.242 51.967 1.00 26.38 N HETATM 3335 C1' BAK A 246 43.479 27.365 45.015 0.52 28.78 C HETATM 3336 C2' BAK A 246 43.267 25.983 44.709 0.52 26.88 C HETATM 3337 C3' BAK A 246 43.446 24.978 45.672 0.52 26.41 C HETATM 3338 C4' BAK A 246 43.840 25.388 46.934 0.52 26.32 C HETATM 3339 C5' BAK A 246 44.052 26.657 47.271 0.52 26.16 C HETATM 3340 C6' BAK A 246 43.883 27.690 46.355 0.52 28.46 C HETATM 3341 C7' BAK A 246 43.302 28.357 44.039 0.52 30.99 C HETATM 3342 C8' BAK A 246 44.423 25.438 48.959 0.52 24.74 C HETATM 3343 N1' BAK A 246 43.543 29.620 44.314 0.52 33.23 N HETATM 3344 N2' BAK A 246 42.898 28.011 42.847 0.52 32.15 N HETATM 3345 N3' BAK A 246 44.072 24.675 47.991 0.52 23.85 N HETATM 3346 N4' BAK A 246 44.411 26.672 48.537 0.52 26.17 N HETATM 3347 O9 BAK A 246 45.103 25.811 51.079 0.52 22.64 O HETATM 0 HN4' BAK A 246 44.603 27.369 49.002 0.52 26.17 H new HETATM 0 HH22 BAK A 246 45.498 16.892 54.299 1.00 20.57 H new HETATM 0 HH21 BAK A 246 44.759 17.181 53.039 1.00 20.57 H new HETATM 0 HH12 BAK A 246 46.631 18.521 55.344 1.00 21.67 H new HETATM 0 HH11 BAK A 246 46.654 19.902 54.788 1.00 21.67 H new HETATM 0 H2'2 BAK A 246 42.786 28.610 42.240 0.52 32.15 H new HETATM 0 H2'1 BAK A 246 42.744 27.184 42.668 0.52 32.15 H new HETATM 0 H1'2 BAK A 246 43.431 30.221 43.709 0.52 33.23 H new HETATM 0 H1'1 BAK A 246 43.812 29.845 45.099 0.52 33.23 H new HETATM 0 H6' BAK A 246 44.035 28.612 46.616 0.52 28.46 H new HETATM 0 H6 BAK A 246 45.880 21.344 53.802 1.00 21.70 H new HETATM 0 H3' BAK A 246 43.301 24.042 45.463 0.52 26.41 H new HETATM 0 H3 BAK A 246 43.868 19.912 49.699 1.00 21.53 H new HETATM 0 H2' BAK A 246 42.992 25.735 43.812 0.52 26.88 H new HETATM 0 H2 BAK A 246 44.493 18.304 51.352 1.00 20.70 H new HETATM 3362 S DMS A 333 37.455 25.435 56.477 0.73 49.88 S HETATM 3363 O DMS A 333 37.422 26.158 57.741 0.73 51.43 O HETATM 3364 C1 DMS A 333 39.238 25.349 56.179 0.73 48.78 C HETATM 3365 C2 DMS A 333 37.120 23.761 57.054 0.73 47.42 C HETATM 0 H23 DMS A 333 37.112 23.153 56.298 0.73 47.42 H new HETATM 0 H22 DMS A 333 37.811 23.490 57.679 0.73 47.42 H new HETATM 0 H21 DMS A 333 36.257 23.738 57.496 0.73 47.42 H new HETATM 0 H13 DMS A 333 39.405 24.880 55.347 0.73 48.78 H new HETATM 0 H12 DMS A 333 39.600 26.247 56.122 0.73 48.78 H new HETATM 0 H11 DMS A 333 39.666 24.874 56.909 0.73 48.78 H new HETATM 3372 O HOH A 248 38.823 13.258 42.566 1.00 20.79 O HETATM 3375 O HOH A 249 34.898 18.740 52.292 1.00 21.78 O HETATM 3378 O HOH A 250 47.581 16.914 42.197 1.00 14.24 O HETATM 3381 O HOH A 251 55.028 8.609 39.593 1.00 17.56 O HETATM 3384 O HOH A 252 47.968 18.525 58.802 1.00 27.17 O HETATM 3387 O HOH A 253 55.830 12.767 49.241 1.00 33.26 O HETATM 3390 O HOH A 254 52.817 15.278 45.860 1.00 18.76 O HETATM 3393 O HOH A 255 49.465 20.200 34.369 1.00 17.04 O HETATM 3396 O HOH A 256 52.374 5.122 51.839 1.00 26.96 O HETATM 3399 O HOH A 257 36.576 10.177 59.526 1.00 15.97 O HETATM 3402 O HOH A 258 48.187 7.773 33.666 1.00 24.12 O HETATM 3405 O HOH A 259 41.836 13.258 66.888 1.00 52.43 O HETATM 3408 O HOH A 260 48.123 15.053 58.927 1.10 43.46 O HETATM 3411 O HOH A 261 51.877 8.788 36.473 1.00 26.48 O HETATM 3414 O HOH A 262 52.121 23.941 32.541 1.00 22.61 O HETATM 3417 O HOH A 263 45.752 15.015 43.391 1.00 11.69 O HETATM 3420 O HOH A 264 32.180 18.039 51.788 1.00 15.93 O HETATM 3423 O HOH A 265 45.604 12.465 54.813 1.00 16.31 O HETATM 3426 O HOH A 266 47.389 12.561 57.920 1.00 25.30 O HETATM 3429 O HOH A 267 52.947 10.655 29.937 1.00 18.42 O HETATM 3432 O HOH A 268 51.301 18.998 32.519 1.00 14.81 O HETATM 3435 O HOH A 269 47.172 12.798 34.144 1.00 17.98 O HETATM 3438 O HOH A 270 48.046 9.778 35.572 1.00 23.76 O HETATM 3441 O HOH A 271 53.358 16.932 30.243 1.00 19.52 O HETATM 3444 O HOH A 272 30.663 26.040 32.730 1.00 23.69 O HETATM 3447 O HOH A 273 27.151 13.255 29.444 1.00 24.30 O HETATM 3450 O HOH A 274 52.920 22.996 36.330 1.00 20.88 O HETATM 3453 O HOH A 275 45.143 9.776 33.511 1.00 20.74 O HETATM 3456 O HOH A 276 49.508 7.464 37.035 1.00 22.37 O HETATM 3459 O HOH A 277 57.476 8.231 38.273 1.00 29.55 O HETATM 3462 O HOH A 278 31.140 29.718 46.194 1.00 19.18 O HETATM 3465 O HOH A 279 29.887 28.908 48.480 1.00 21.10 O HETATM 3468 O HOH A 280 44.497 7.371 44.018 1.00 15.87 O HETATM 3471 O HOH A 281 32.715 7.969 50.250 1.00 14.08 O HETATM 3474 O HOH A 282 33.584 23.044 58.039 1.00 20.25 O HETATM 3477 O HOH A 283 33.448 18.352 63.944 1.00 28.37 O HETATM 3480 O HOH A 284 41.268 3.955 61.335 1.00 29.87 O HETATM 3483 O HOH A 285 41.586 6.942 65.372 1.00 53.14 O HETATM 3486 O HOH A 286 32.978 6.196 28.901 1.00 28.44 O HETATM 3489 O HOH A 287 53.814 22.080 33.682 1.00 35.05 O HETATM 3492 O HOH A 288 59.872 7.227 46.024 1.00 38.96 O HETATM 3495 O HOH A 289 46.885 25.960 29.642 1.00 42.04 O HETATM 3498 O HOH A 290 46.312 6.083 61.212 1.00 35.58 O HETATM 3501 O HOH A 291 41.785 -0.140 45.181 1.00 31.98 O HETATM 3504 O HOH A 292 32.990 6.902 52.994 1.00 42.84 O HETATM 3507 O HOH A 293 41.221 -1.879 43.122 1.00 33.06 O HETATM 3510 O HOH A 294 27.360 10.367 30.354 1.00 29.66 O HETATM 3513 O HOH A 295 27.558 13.648 26.470 1.00 30.75 O HETATM 3516 O HOH A 296 55.166 20.785 28.235 1.00 48.55 O HETATM 3519 O HOH A 297 34.730 7.394 59.138 1.00 41.25 O HETATM 3522 O HOH A 298 39.743 27.689 62.296 1.00 45.86 O HETATM 3525 O HOH A 300 25.338 9.180 31.987 1.00 27.40 O HETATM 3528 O HOH A 301 35.339 1.263 49.089 1.00 25.33 O HETATM 3531 O HOH A 303 46.711 7.616 63.386 1.00 33.56 O HETATM 3534 O HOH A 304 32.503 9.481 57.635 1.00 50.50 O HETATM 3537 O HOH A 305 30.751 22.936 58.969 1.00 28.00 O HETATM 3540 O HOH A 306 40.485 5.389 63.512 1.00 37.24 O HETATM 3543 O HOH A 307 29.269 6.958 34.723 1.00 46.89 O HETATM 3546 O HOH A 308 50.317 16.369 22.785 1.00 49.87 O HETATM 3549 O HOH A 309 54.188 12.542 31.409 1.00 16.65 O HETATM 3552 O HOH A 310 24.725 8.611 34.587 1.00 24.58 O HETATM 3555 O HOH A 312 44.243 2.512 42.678 1.00 37.63 O HETATM 3558 O HOH A 313 24.064 15.610 46.562 1.00 31.83 O HETATM 3561 O HOH A 314 36.205 28.137 47.111 1.00 28.34 O HETATM 3564 O HOH A 316 57.543 14.253 51.657 1.00 30.68 O HETATM 3567 O HOH A 318 26.713 24.115 54.849 1.00 48.56 O HETATM 3570 O HOH A 319 51.933 22.340 57.985 1.00 41.03 O HETATM 3573 O HOH A 320 33.132 6.052 62.135 1.00 50.93 O HETATM 3576 O HOH A 321 32.368 28.233 44.036 1.00 23.93 O HETATM 3579 O HOH A 322 32.456 15.553 25.584 1.00 47.46 O HETATM 3582 O HOH A 323 46.802 8.300 26.307 1.00 26.51 O HETATM 3585 O HOH A 324 30.677 0.925 41.041 1.00 55.88 O HETATM 3588 O HOH A 325 42.730 16.507 52.431 1.00 24.25 O HETATM 3591 O HOH A 330 54.025 8.274 30.630 1.00 56.45 O HETATM 3594 O HOH A 332 41.135 29.648 49.825 1.00 58.18 O HETATM 3597 O HOH A 335 36.878 30.154 58.519 1.00 36.58 O HETATM 3600 O HOH A 336 37.605 28.087 49.745 1.00 54.19 O HETATM 3603 O HOH A 337 41.478 23.595 50.911 1.00 27.55 O HETATM 3606 O HOH A 338 26.039 16.746 59.002 1.00 46.12 O HETATM 3609 O HOH A 339 25.395 14.434 61.301 1.00 59.15 O HETATM 3612 O HOH A 340 24.231 11.292 61.313 1.00 64.37 O HETATM 3615 O HOH A 341 27.711 25.329 34.814 1.00 51.54 O HETATM 3618 O HOH A 342 25.419 25.211 32.391 1.00 63.48 O HETATM 3621 O HOH A 343 21.646 20.974 32.049 1.00 57.01 O HETATM 3624 O HOH A 344 35.311 26.214 34.409 1.00 46.53 O HETATM 3627 O HOH A 346 38.532 31.797 37.310 1.00 48.53 O HETATM 3630 O HOH A 349 29.720 27.861 59.734 1.00 37.26 O HETATM 3633 O HOH A 350 56.159 16.421 22.037 1.00 46.56 O HETATM 3636 O HOH A 351 36.874 30.120 55.708 1.00 22.01 O HETATM 3639 O HOH A 352 34.745 26.641 63.394 1.00 62.09 O HETATM 3642 O HOH A 353 41.902 -2.315 54.150 1.00 39.22 O HETATM 3645 O HOH A 355 51.104 -2.426 29.396 1.00 40.67 O HETATM 3648 O HOH A 356 46.617 -0.032 25.935 1.00 44.76 O HETATM 3651 O HOH A 357 40.556 2.177 36.833 1.00 50.64 O HETATM 3654 O HOH A 358 38.843 2.630 31.960 1.00 34.00 O HETATM 3657 O HOH A 363 48.782 25.999 57.946 1.00 38.19 O HETATM 3660 O HOH A 364 44.491 4.110 61.963 1.00 37.22 O HETATM 3663 O HOH A 365 59.939 15.248 41.358 1.00 51.80 O HETATM 3666 O HOH A 366 45.107 6.596 65.395 1.00 65.96 O HETATM 3669 O HOH A 370 49.488 7.629 63.680 1.00 51.26 O HETATM 3672 O HOH A 373 37.833 -1.622 58.355 1.00 25.05 O HETATM 3675 O HOH A 374 42.576 -0.042 48.454 1.00 59.11 O HETATM 3678 O HOH A 376 23.601 12.553 45.936 1.00 29.25 O HETATM 3681 O HOH A 377 53.988 21.932 30.848 1.00 48.27 O HETATM 3684 O HOH A 378 45.609 18.139 57.321 1.00 34.88 O HETATM 3687 O HOH A 379 44.620 24.750 56.181 1.00 34.41 O HETATM 3690 O HOH A 380 44.823 -1.925 71.017 1.00 30.98 O HETATM 3693 O HOH A 381 41.666 -1.496 71.171 1.00 33.07 O HETATM 3696 O HOH A 382 38.366 27.996 59.377 1.00 59.18 O HETATM 3699 O HOH A 383 57.967 29.766 59.803 1.00 58.94 O HETATM 3702 O HOH A 385 26.281 7.250 54.887 1.00 60.84 O HETATM 3705 O HOH A 390 31.148 12.833 59.531 1.00 35.21 O HETATM 3708 O HOH A 391 48.840 23.323 17.600 1.00 50.59 O HETATM 3711 O HOH A 392 56.971 13.912 56.853 1.00 66.92 O HETATM 3714 O HOH A 393 48.241 23.089 25.793 1.00 43.44 O HETATM 3717 O HOH A 394 63.316 16.669 29.771 1.00 66.87 O HETATM 3720 O HOH A 395 62.428 19.943 29.012 1.00 26.86 O HETATM 3723 O HOH A 396 32.946 5.700 37.122 1.00 37.91 O HETATM 3726 O HOH A 397 36.457 24.739 65.562 1.00 54.83 O HETATM 3729 O HOH A 401 23.037 30.599 59.306 1.00 54.53 O HETATM 3732 O HOH A 404 18.203 32.373 59.994 1.00 45.14 O HETATM 3735 O HOH A 406 17.331 24.717 60.004 1.00 33.20 O HETATM 3738 O HOH A 408 30.002 35.158 49.832 1.00 65.18 O HETATM 3741 O HOH A 413 43.572 28.087 50.790 1.00 40.18 O HETATM 3744 O HOH A 414 46.012 27.719 52.980 1.00 54.93 O HETATM 3747 O HOH A 432 32.607 31.764 47.348 1.00 52.26 O HETATM 3750 O HOH A 436 25.599 15.337 24.518 1.00 44.48 O HETATM 3753 O HOH A 438 30.819 4.158 38.112 1.00 42.79 O HETATM 3756 O HOH A 444 59.885 10.228 29.413 1.00 57.46 O HETATM 3759 O HOH A 445 34.442 -4.736 41.810 1.00 48.07 O HETATM 3762 O HOH A 450 24.193 20.554 52.657 1.00 48.12 O HETATM 3765 O CHOH A 459 58.070 5.194 54.634 0.50 63.32 O HETATM 3768 O HOH A 463 31.305 18.402 26.110 1.00 49.00 O HETATM 3771 O HOH A 466 25.091 22.942 34.079 1.00 53.25 O HETATM 3774 O HOH A 473 37.406 30.803 47.683 1.00 58.38 O HETATM 3777 O HOH A 476 26.452 22.809 58.225 1.00 53.17 O HETATM 3780 O HOH A 479 44.585 5.427 23.248 1.00 57.86 O HETATM 3783 O HOH A 480 36.268 -1.615 41.236 1.00 44.98 O HETATM 3786 O HOH A 481 24.414 9.039 46.689 1.00 44.72 O HETATM 3789 O HOH A 483 37.266 0.991 39.513 1.00 52.19 O HETATM 3792 O HOH A 500 48.474 23.018 66.289 1.00 62.17 O HETATM 3795 O HOH A 503 51.992 4.972 54.693 1.00 46.04 O HETATM 3798 O HOH A 506 42.457 -0.758 31.417 1.00 46.31 O HETATM 3801 O HOH A 511 53.550 26.851 54.600 1.00 56.15 O HETATM 3804 O HOH A 522 31.634 29.698 27.208 1.00 61.70 O HETATM 3807 O HOH A 524 27.113 2.051 55.999 1.00 62.04 O HETATM 3810 O HOH A 528 33.564 7.745 24.155 1.00 41.11 O HETATM 3813 O HOH A 530 65.411 16.866 32.764 1.00 48.48 O HETATM 3816 O HOH A 534 46.820 -0.855 51.539 1.00 68.97 O HETATM 3819 O HOH A 536 33.830 10.664 20.223 1.00 42.41 O HETATM 3822 O HOH A 552 41.426 14.122 71.215 1.00 58.12 O HETATM 3825 O HOH A 555 36.785 30.291 30.027 1.00 60.01 O HETATM 3828 O HOH A 556 36.873 25.972 32.106 1.00 52.66 O HETATM 3831 O HOH A 557 38.517 25.632 28.990 1.00 59.34 O HETATM 3834 O HOH A 558 33.763 26.622 30.452 1.00 52.24 O HETATM 3837 O HOH A 560 43.915 1.475 45.221 1.00 57.34 O HETATM 3840 O HOH A 561 37.615 5.404 24.635 1.00 46.15 O HETATM 3843 O HOH A 562 35.804 3.931 22.797 1.00 46.65 O HETATM 3846 O HOH A 563 38.310 6.324 21.031 1.00 55.48 O HETATM 3849 O HOH A 564 52.675 20.698 25.432 1.00 45.52 O HETATM 3852 O HOH A 565 40.414 27.235 42.686 1.00 42.04 O HETATM 3855 O HOH A 566 53.444 27.476 44.591 1.00 52.25 O HETATM 3858 O HOH A 567 46.500 29.158 47.699 1.00 55.12 O HETATM 3861 O HOH A 568 17.430 16.160 45.290 1.00 68.45 O HETATM 3864 O HOH A 569 25.089 19.466 55.225 1.00 55.45 O HETATM 3867 O HOH A 570 16.421 19.085 42.576 1.00 59.36 O HETATM 3870 O HOH A 571 19.145 19.814 49.172 1.00 61.90 O HETATM 3873 O HOH A 572 32.725 34.232 49.525 1.00 65.13 O HETATM 3876 O HOH A 573 27.936 3.526 39.330 1.00 58.78 O HETATM 3879 O HOH A 574 55.396 3.964 54.315 1.00 48.95 O HETATM 3882 O CHOH A 578 44.386 0.161 36.441 0.50 52.23 O HETATM 3885 O HOH A 582 36.738 5.790 68.079 1.00 59.00 O HETATM 3888 O HOH A 591 32.496 4.716 22.779 1.00 49.82 O HETATM 3891 O HOH A 604 52.560 5.857 20.453 1.00 65.04 O HETATM 3894 O HOH A 605 37.207 28.349 61.923 1.00 53.57 O HETATM 3897 O HOH A 609 58.342 9.035 54.261 1.00 63.32 O HETATM 3900 O HOH A 610 55.448 18.207 70.695 1.00 62.38 O HETATM 3903 O HOH A 612 48.416 22.528 20.262 1.00 59.95 O HETATM 3906 O HOH A 614 31.522 15.479 22.293 1.00 59.59 O HETATM 3909 O HOH A 616 17.745 6.818 37.155 1.00 65.04 O HETATM 3912 O HOH A 619 19.385 -0.625 37.972 1.00 57.24 O HETATM 3915 O HOH A 633 48.518 0.989 33.883 1.00 55.55 O HETATM 3918 O HOH A 634 45.998 1.893 40.078 1.00 56.76 O HETATM 3921 O HOH A 635 45.059 0.688 33.253 1.00 57.73 O HETATM 3924 O HOH A 637 43.011 -1.861 34.863 1.00 73.27 O HETATM 3927 O HOH A 639 27.691 -1.139 40.712 1.00 64.49 O HETATM 3930 O HOH A 640 25.981 -0.357 38.068 1.00 64.11 O HETATM 3933 O HOH A 641 24.065 1.744 36.843 1.00 59.66 O HETATM 3936 O HOH A 642 24.507 2.210 40.030 1.00 63.66 O HETATM 3939 O HOH A 643 22.786 -0.254 38.400 1.00 70.29 O HETATM 3942 O HOH A 644 37.983 3.373 68.104 1.00 61.44 O HETATM 3945 O HOH A 645 39.311 6.084 69.624 1.00 61.50 O HETATM 3948 O HOH A 646 40.646 3.501 69.526 1.00 64.42 O HETATM 3951 O HOH A 647 33.716 5.926 66.960 1.00 66.17 O HETATM 3954 O HOH A 648 26.228 27.785 31.811 1.00 53.43 O HETATM 3957 O HOH A 649 31.559 1.660 37.033 1.00 55.52 O CONECT 92 2062 CONECT 371 600 CONECT 587 3319 CONECT 600 371 CONECT 788 3317 CONECT 811 3317 CONECT 858 3317 CONECT 931 3317 CONECT 1678 3093 CONECT 1757 2700 CONECT 2062 92 CONECT 2220 2432 CONECT 2432 2220 CONECT 2573 2888 CONECT 2589 3320 CONECT 2630 3319 CONECT 2700 1757 CONECT 2888 2573 CONECT 3093 1678 CONECT 3317 788 811 858 931 CONECT 3317 3441 3549 CONECT 3319 587 2630 3333 3345 CONECT 3320 2589 3346 3347 3741 CONECT 3320 3858 CONECT 3321 3334 3687 CONECT 3322 3323 3327 3328 CONECT 3323 3322 3324 3348 CONECT 3324 3323 3325 3349 CONECT 3325 3324 3326 3333 CONECT 3326 3325 3327 3334 CONECT 3327 3322 3326 3350 CONECT 3328 3322 3331 3332 CONECT 3329 3330 3333 3334 CONECT 3330 3329 3342 3347 CONECT 3331 3328 3351 3352 CONECT 3332 3328 3353 3354 CONECT 3333 3319 3325 3329 CONECT 3334 3321 3326 3329 CONECT 3335 3336 3340 3341 CONECT 3336 3335 3337 3355 CONECT 3337 3336 3338 3356 CONECT 3338 3337 3339 3345 CONECT 3339 3338 3340 3346 CONECT 3340 3335 3339 3357 CONECT 3341 3335 3343 3344 CONECT 3342 3330 3345 3346 CONECT 3343 3341 3358 3359 CONECT 3344 3341 3360 3361 CONECT 3345 3319 3338 3342 CONECT 3346 3320 3339 3342 CONECT 3347 3320 3330 CONECT 3348 3323 CONECT 3349 3324 CONECT 3350 3327 CONECT 3351 3331 CONECT 3352 3331 CONECT 3353 3332 CONECT 3354 3332 CONECT 3355 3336 CONECT 3356 3337 CONECT 3357 3340 CONECT 3358 3343 CONECT 3359 3343 CONECT 3360 3344 CONECT 3361 3344 CONECT 3362 3363 3364 3365 CONECT 3363 3362 CONECT 3364 3362 3366 3367 3368 CONECT 3365 3362 3369 3370 3371 CONECT 3366 3364 CONECT 3367 3364 CONECT 3368 3364 CONECT 3369 3365 CONECT 3370 3365 CONECT 3371 3365 CONECT 3441 3317 CONECT 3549 3317 CONECT 3687 3321 CONECT 3741 3320 CONECT 3858 3320 END