USER MOD reduce.3.24.130724 H: found=0, std=0, add=1660, rem=0, adj=75 USER MOD reduce.3.24.130724 removed 2122 hydrogens (483 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2F TITLE RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF TITLE 2 SERINE PROTEASES COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.21.4; COMPND 5 OTHER_DETAILS: COMPLEXED WITH BIS(5-AMIDINO-2- COMPND 6 BENZIMIDAZOLYL)METHANE KETONE HYDRATE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS ZN(II)-MEDIATED SERINE PROTEASE INHIBITORS, PH DEPENDENCE, KEYWDS 2 ZN(II) AFFINITY STUCTURE-BASED DRUG DESIGN, SERINE KEYWDS 3 PROTEASE/INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.A.KATZ,C.LUONG REVDAT 4 02-MAR-10 1C2F 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2F 1 VERSN REVDAT 2 26-SEP-01 1C2F 3 ATOM REVDAT 1 26-JUL-00 1C2F 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. 1.70 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) : 1.70 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) (%) : 66.0 REMARK 3 NUMBER OF REFLECTIONS : 14306 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) : 0.190 REMARK 3 FREE R VALUE : 0.241 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1420 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.78 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 40.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1087 REMARK 3 BIN R VALUE (WORKING SET) : 0.4000 REMARK 3 BIN FREE R VALUE : 0.4370 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 106 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 : 3294 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 57 REMARK 3 SOLVENT ATOMS : 693 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.018 REMARK 3 BOND ANGLES (DEGREES) : 3.90 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.54 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARMALLH3X_KBZN80.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZN80.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 1C2F 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 RCSB001252. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-FEB-97 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 8.00 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MSC MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : BIOTEX (MSC) REMARK 200 DATA SCALING SOFTWARE : BIOTEX REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18088 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 REMARK 200 RESOLUTION RANGE LOW (A) : 54.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 66.0 REMARK 200 DATA REDUNDANCY : 2.900 REMARK 200 R MERGE (I) : 0.08200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 5.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.78 REMARK 200 COMPLETENESS FOR SHELL (%) : 40.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.25800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER PLUS REMARK 200 REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR, QUANTA, INSIGHTII REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06 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 9.0 MM ZN(II), PH 8.00 AND REMARK 280 SOAKED FOR SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING REMARK 280 SOLUTIONS. THE SOLUTION WAS SATURATED IN KETO-BABIM AND REMARK 280 CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR SOLUBILITY. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 36.64000 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 73.28000 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 73.28000 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 36.64000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 377 LIES ON A SPECIAL POSITION. REMARK 400 REMARK 400 COMPOUND REMARK 400 HIS40 AND HIS91 ARE MONOPROTONATED ON THE EPSILON REMARK 400 NITROGEN, HIS57 IS MONOPROTONATED ON THE DELTA REMARK 400 NITROGEN. 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 LYS A 60 NZ 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 HZ2 LYS A 156 H1 HOH A 701 1.50 REMARK 500 O ARG A 117 H1 HOH A 258 1.52 REMARK 500 HH12 ARG A 66 H2 HOH A 268 1.53 REMARK 500 OD1 ASN A 245 H2 HOH A 343 1.53 REMARK 500 OE1 GLN A 210 H1 HOH A 301 1.56 REMARK 500 O SER A 217 H1 HOH A 252 1.56 REMARK 500 OH TYR A 94 H2 HOH A 314 1.57 REMARK 500 OG SER A 116 H1 HOH A 356 1.57 REMARK 500 HD21 ASN A 48 H GLN A 50 1.57 REMARK 500 HZ2 LYS A 230 H1 HOH A 304 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 NE2 HIS A 40 CD2 -0.083 REMARK 500 HIS A 91 NE2 HIS A 91 CD2 -0.082 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 51 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 8.9 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CZ2 ANGL. DEV. = 6.9 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 8.3 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 7.9 DEGREES REMARK 500 CYS A 168 CA - CB - SG ANGL. DEV. = 7.2 DEGREES REMARK 500 CYS A 182 CA - CB - SG ANGL. DEV. = 7.4 DEGREES REMARK 500 SER A 190 N - CA - C ANGL. DEV. = -16.4 DEGREES REMARK 500 TRP A 215 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.2 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -6.6 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 7.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 71 -73.53 -144.12 REMARK 500 ASN A 115 -158.86 -151.09 REMARK 500 SER A 195 129.53 -27.28 REMARK 500 SER A 214 -74.17 -114.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 66 0.11 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 340 DISTANCE = 6.09 ANGSTROMS REMARK 525 HOH A 342 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH A 369 DISTANCE = 6.71 ANGSTROMS REMARK 525 HOH A 379 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 12.80 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.47 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.07 ANGSTROMS REMARK 525 HOH A 393 DISTANCE = 8.63 ANGSTROMS REMARK 525 HOH A 395 DISTANCE = 5.33 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.34 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 12.80 ANGSTROMS REMARK 525 HOH A 405 DISTANCE = 5.36 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.33 ANGSTROMS REMARK 525 HOH A 407 DISTANCE = 11.45 ANGSTROMS REMARK 525 HOH A 423 DISTANCE = 5.21 ANGSTROMS REMARK 525 HOH A 434 DISTANCE = 7.50 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 11.11 ANGSTROMS REMARK 525 HOH A 527 DISTANCE = 12.38 ANGSTROMS REMARK 525 HOH A 529 DISTANCE = 10.99 ANGSTROMS REMARK 525 HOH A 594 DISTANCE = 5.06 ANGSTROMS REMARK 525 HOH A 602 DISTANCE = 8.16 ANGSTROMS REMARK 525 HOH A 615 DISTANCE = 6.48 ANGSTROMS REMARK 525 HOH A 639 DISTANCE = 15.50 ANGSTROMS REMARK 525 HOH A 666 DISTANCE = 6.18 ANGSTROMS REMARK 525 HOH A 685 DISTANCE = 6.88 ANGSTROMS REMARK 525 HOH A 695 DISTANCE = 5.24 ANGSTROMS REMARK 525 HOH A 698 DISTANCE = 5.68 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 80 OE2 REMARK 620 2 GLU A 70 OE1 103.3 REMARK 620 3 HOH A 309 O 81.0 87.8 REMARK 620 4 HOH A 271 O 90.6 77.8 161.2 REMARK 620 5 VAL A 75 O 85.4 162.0 109.4 86.5 REMARK 620 6 ASN A 72 O 167.5 85.0 90.1 100.4 89.4 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 263 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN A 30 OE1 REMARK 620 2 SER A 139 O 86.0 REMARK 620 3 HOH A 250 O 94.8 114.7 REMARK 620 4 ASP A 194 O 151.7 110.5 98.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 409 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 195 OG REMARK 620 2 BAH A 246 N3' 101.9 REMARK 620 3 BAH A 246 N3 110.2 96.8 REMARK 620 4 HIS A 57 NE2 115.6 112.5 117.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 410 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 BAH A 246 O91 REMARK 620 2 BAH A 246 N4' 76.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 411 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 BAH A 246 O91 REMARK 620 2 HOH A 452 O 132.9 REMARK 620 3 BAH A 246 N4 80.7 113.1 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 263 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 411 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BAH 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: 1C2E RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RELATED ID: 1C2M RELATED DB: PDB REMARK 900 RELATED ID: 1C1N RELATED DB: PDB REMARK 900 RELATED ID: 1C1O RELATED DB: PDB REMARK 900 RELATED ID: 1C1P RELATED DB: PDB REMARK 900 RELATED ID: 1C1Q RELATED DB: PDB REMARK 900 RELATED ID: 1C1R RELATED DB: PDB REMARK 900 RELATED ID: 1C1S RELATED DB: PDB REMARK 900 RELATED ID: 1C1T RELATED DB: PDB REMARK 900 RELATED ID: 1C1U RELATED DB: PDB REMARK 900 RELATED ID: 1C1V RELATED DB: PDB REMARK 900 RELATED ID: 1C1W RELATED DB: PDB REMARK 900 RELATED ID: 1C2J RELATED DB: PDB DBREF 1C2F A 16 245 UNP P00760 TRY1_BOVIN 21 243 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 247 1 HET MG A 263 1 HET ZN A 409 1 HET ZN A 410 1 HET ZN A 411 1 HET BAH A 246 42 HET DMS A 333 10 HETNAM CA CALCIUM ION HETNAM MG MAGNESIUM ION HETNAM ZN ZINC ION HETNAM BAH BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE HETNAM DMS DIMETHYL SULFOXIDE FORMUL 2 CA CA 2+ FORMUL 3 MG MG 2+ FORMUL 4 ZN 3(ZN 2+) FORMUL 7 BAH C17 H18 N8 O2 2+ FORMUL 8 DMS C2 H6 O S FORMUL 9 HOH *231(H2 O) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 TYR A 234 SER A 244 1 11 SHEET 1 A 7 TYR A 20 THR A 21 0 SHEET 2 A 7 LYS A 156 PRO A 161 -1 N CYS A 157 O TYR A 20 SHEET 3 A 7 GLN A 135 GLY A 140 -1 N CYS A 136 O ALA A 160 SHEET 4 A 7 PRO A 198 CYS A 201 -1 O PRO A 198 N SER A 139 SHEET 5 A 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 B 7 GLN A 30 ASN A 34 -1 N VAL A 31 O GLY A 44 SHEET 4 B 7 GLN A 64 LEU A 67 -1 O GLN A 64 N ASN A 34 SHEET 5 B 7 GLN A 81 VAL A 90 -1 O GLN A 81 N LEU A 67 SHEET 6 B 7 MET A 104 LEU A 108 -1 O LEU A 105 N ILE A 89 SHEET 7 B 7 TRP A 51 SER A 54 -1 O VAL A 52 N ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.02 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.00 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.01 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.02 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.01 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.02 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.43 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.45 LINK CA CA A 247 O HOH A 309 1555 1555 2.57 LINK CA CA A 247 O HOH A 271 1555 1555 2.64 LINK CA CA A 247 O VAL A 75 1555 1555 2.27 LINK CA CA A 247 O ASN A 72 1555 1555 2.37 LINK MG MG A 263 OE1 GLN A 30 1555 1555 2.98 LINK MG MG A 263 O SER A 139 1555 1555 2.73 LINK MG MG A 263 O HOH A 250 1555 1555 2.90 LINK MG MG A 263 O ASP A 194 1555 1555 2.73 LINK ZN ZN A 409 OG SER A 195 1555 1555 2.33 LINK ZN ZN A 409 N3' BAH A 246 1555 1555 2.29 LINK ZN ZN A 409 N3 BAH A 246 1555 1555 2.30 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.34 LINK ZN ZN A 410 O91 BAH A 246 1555 1555 2.47 LINK ZN ZN A 410 N4' BAH A 246 1555 1555 2.36 LINK ZN ZN A 411 O91 BAH A 246 1555 1555 2.41 LINK ZN ZN A 411 O HOH A 452 1555 1555 2.76 LINK ZN ZN A 411 N4 BAH A 246 1555 1555 2.29 SITE *** AC1 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE *** AC1 6 HOH A 271 HOH A 309 SITE *** AC2 7 GLN A 30 GLY A 43 SER A 139 GLY A 140 SITE *** AC2 7 ASP A 194 GLY A 197 HOH A 250 SITE *** AC3 3 HIS A 57 SER A 195 BAH A 246 SITE *** AC4 4 GLN A 192 BAH A 246 ZN A 411 HOH A 700 SITE *** AC5 4 BAH A 246 ZN A 410 HOH A 414 HOH A 452 SITE *** AC6 18 PHE A 41 HIS A 57 ASP A 189 SER A 190 SITE *** AC6 18 SER A 195 SER A 214 GLY A 216 GLY A 219 SITE *** AC6 18 GLY A 226 SER A 244 HOH A 325 HOH A 337 SITE *** AC6 18 HOH A 343 ZN A 409 ZN A 410 ZN A 411 SITE *** AC6 18 HOH A 532 HOH A 700 SITE *** AC7 4 ASN A 97 THR A 98 CYS A 128 TRP A 215 CRYST1 54.990 54.990 109.920 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 0.018185 0.010499 0.000000 0.00000 SCALE2 0.000000 0.020998 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009098 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 409 ZNZN :(H bumps) USER MOD NoAdj-H: A 246 BAHHN4' : A 246 BAH N4' : A 410 ZNZN :(H bumps) USER MOD NoAdj-H: A 246 BAH HN4 : A 246 BAH N4 : A 411 ZNZN :(H bumps) USER MOD Set 1.1: A 190 SER OG : rot -114:sc= 0.962 USER MOD Set 1.2: A 228 TYR OH : rot -26:sc= 1.68 USER MOD Set 2.1: A 151 TYR OH : rot 30:sc= 0.214 USER MOD Set 2.2: A 192 GLN : amide:sc= 0.236 X(o=0.45,f=0) USER MOD Set 3.1: A 164 SER OG : rot 117:sc= 1.06 USER MOD Set 3.2: A 166 SER OG : rot 180:sc= 0.521 USER MOD Set 3.3: A 167 SER OG : rot -93:sc= 0.527 USER MOD Set 4.1: A 20 TYR OH : rot 30:sc= 0.344 USER MOD Set 4.2: A 159 LYS NZ :NH3+ -176:sc= 0.293 (180deg=-0.0377) USER MOD Set 5.1: A 144 THR OG1 : rot -61:sc= 0.21 USER MOD Set 5.2: A 145 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0228) USER MOD Set 6.1: A 30 GLN :FLIP amide:sc= 1.05 F(o=-1.6,f=2.8) USER MOD Set 6.2: A 139 SER OG : rot 80:sc= 1.71 USER MOD Set 7.1: A 101 ASN : amide:sc= 1.42 K(o=1.3,f=0.53) USER MOD Set 7.2: A 234 TYR OH : rot 17:sc= -0.103 USER MOD Set 8.1: A 100 ASN : amide:sc= 0.986 K(o=2.5,f=-2.4) USER MOD Set 8.2: A 177 THR OG1 : rot -174:sc= 1.07 USER MOD Set 8.3: A 179 ASN : amide:sc= 0.282 K(o=2.5,f=1.2) USER MOD Set 8.4: A 180 MET CE :methyl -168:sc=-0.00425 (180deg=-0.0945) USER MOD Set 8.5: A 233 ASN : amide:sc= 0.192 K(o=2.5,f=1.3) USER MOD Set 9.1: A 87 LYS NZ A:NH3+ -148:sc= 0.541 (180deg=0) USER MOD Set 9.2: A 87 LYS NZ B:NH3+ 141:sc= 0.132 (180deg=0) USER MOD Set 9.3: A 245 ASN : amide:sc= 1.26 K(o=1.9,f=-4.5) USER MOD Set10.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set10.2: A 61 SER OG A: rot 180:sc= 0 USER MOD Set11.1: A 37 SER OG : rot -93:sc= 0.526 USER MOD Set11.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set11.3: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set12.1: A 32 SER OG : rot 65:sc= 2.49 USER MOD Set12.2: A 40 HIS : no HD1:sc= 1.15 K(o=3.6,f=-4.5!) USER MOD Set13.1: A 21 THR OG1 : rot 180:sc= 0.241 USER MOD Set13.2: A 156 LYS NZ :NH3+ 172:sc= 0.245 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.663 K(o=0.66,f=-2.5!) USER MOD Single : A 26 THR OG1 : rot -92:sc= 0.549 USER MOD Single : A 29 TYR OH : rot -13:sc= 2.13 USER MOD Single : A 34 ASN : amide:sc= 0.911 K(o=0.91,f=-2.8!) USER MOD Single : A 45 SER OG : rot 97:sc= -1.05! USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0575 F(o=-5.1!,f=-0.057) USER MOD Single : A 49 SER OG : rot -90:sc= 0.749 USER MOD Single : A 50 GLN A:FLIP amide:sc= 1.23 F(o=0.7,f=1.2) USER MOD Single : A 50 GLN B: amide:sc= -0.0787 K(o=-0.079,f=-2.2!) USER MOD Single : A 54 SER OG : rot 100:sc= 0.578 USER MOD Single : A 61 SER OG B: rot 38:sc= 0.909 USER MOD Single : A 64 GLN : amide:sc= 0.802 K(o=0.8,f=-7.8!) USER MOD Single : A 72 ASN : amide:sc= -0.175 K(o=-0.17,f=-9.2!) USER MOD Single : A 74 ASN : amide:sc= 0.546 K(o=0.55,f=-1.3) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.205 F(o=-0.75,f=-0.2) USER MOD Single : A 81 GLN : amide:sc= -0.065 K(o=-0.065,f=-3.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -109:sc= 0.0347 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.259 K(o=-0.26,f=-5.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 22:sc= 1.45 USER MOD Single : A 95 ASN : amide:sc= -0.41 K(o=-0.41,f=-7.6!) USER MOD Single : A 96 SER OG : rot -129:sc= 0.00587 USER MOD Single : A 97 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.049) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 104 MET CE :methyl -97:sc=-0.00266 (180deg=-0.793) USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= 1.47 (180deg=1.08) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG A: rot 180:sc= 0 USER MOD Single : A 110 SER OG B: rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.408 K(o=0.41,f=-8.2!) USER MOD Single : A 116 SER OG : rot 102:sc= 0.0713 USER MOD Single : A 120 SER OG : rot -97:sc= 0.154 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 134 THR OG1 : rot 103:sc= 0.736 USER MOD Single : A 135 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.4) USER MOD Single : A 143 ASN : amide:sc= 0.668 K(o=0.67,f=-4.7!) USER MOD Single : A 146 SER OG : rot 81:sc= 0.115 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG : rot 90:sc= 1.27 USER MOD Single : A 172 TYR OH : rot 14:sc= 0.738 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 178 SER OG : rot 180:sc= 0.058 USER MOD Single : A 184 TYR OH : rot 14:sc= -0.165 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 GLN :FLIP amide:sc= 1.43 F(o=0.69,f=1.4) USER MOD Single : A 214 SER OG : rot 61:sc= 2.05 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.15) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.0761 X(o=-0.076,f=-0.042) USER MOD Single : A 224 LYS NZ :NH3+ 176:sc= 0.205 (180deg=0.201) USER MOD Single : A 229 THR OG1 : rot -171:sc= 0.439 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc= 0.0124 USER MOD Single : A 236 SER OG B: rot 80:sc= 0.93 USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 241 THR OG1 : rot 93:sc= 0.852 USER MOD Single : A 244 SER OG : rot 92:sc= 0.409 USER MOD Single : A 246 BAH O91 : rot 180:sc= 0 USER MOD Single : A 246 BAH O92 : rot -106:sc= 0.0939 USER MOD Single : A 333 DMS C1 :methyl -148:sc=-0.00123 (180deg=-0.348) USER MOD Single : A 333 DMS C2 :methyl -119:sc= 0 (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.787 15.668 48.450 1.00 14.33 N ATOM 2 CA ILE A 16 51.602 14.459 49.276 1.00 19.00 C ATOM 3 C ILE A 16 52.891 14.480 50.093 1.00 17.00 C ATOM 4 O ILE A 16 53.942 14.656 49.518 1.00 19.04 O ATOM 5 CB ILE A 16 51.554 13.171 48.409 1.00 17.71 C ATOM 6 CG1 ILE A 16 50.337 13.042 47.408 1.00 19.51 C ATOM 7 CG2 ILE A 16 51.595 11.904 49.284 1.00 21.43 C ATOM 8 CD1 ILE A 16 49.002 12.730 48.083 1.00 17.96 C ATOM 0 HA ILE A 16 50.778 14.456 49.787 1.00 19.00 H new ATOM 0 HB ILE A 16 52.349 13.255 47.859 1.00 17.71 H new ATOM 0 HG12 ILE A 16 50.251 13.870 46.911 1.00 19.51 H new ATOM 0 HG13 ILE A 16 50.533 12.344 46.764 1.00 19.51 H new ATOM 0 HG21 ILE A 16 51.564 11.118 48.717 1.00 21.43 H new ATOM 0 HG22 ILE A 16 52.414 11.895 49.803 1.00 21.43 H new ATOM 0 HG23 ILE A 16 50.833 11.900 49.884 1.00 21.43 H new ATOM 0 HD11 ILE A 16 48.306 12.666 47.410 1.00 17.96 H new ATOM 0 HD12 ILE A 16 49.069 11.888 48.559 1.00 17.96 H new ATOM 0 HD13 ILE A 16 48.782 13.438 48.708 1.00 17.96 H new ATOM 22 N VAL A 17 52.764 14.309 51.361 1.00 17.88 N ATOM 23 CA VAL A 17 53.923 14.312 52.262 1.00 19.61 C ATOM 24 C VAL A 17 54.055 12.888 52.804 1.00 22.99 C ATOM 25 O VAL A 17 53.070 12.268 53.199 1.00 18.68 O ATOM 26 CB VAL A 17 53.648 15.296 53.401 1.00 20.79 C ATOM 27 CG1 VAL A 17 54.843 15.389 54.371 1.00 20.88 C ATOM 28 CG2 VAL A 17 53.297 16.703 52.843 1.00 21.25 C ATOM 0 H VAL A 17 52.010 14.185 51.755 1.00 17.88 H new ATOM 0 HA VAL A 17 54.740 14.580 51.813 1.00 19.61 H new ATOM 0 HB VAL A 17 52.886 14.958 53.897 1.00 20.79 H new ATOM 0 HG11 VAL A 17 54.637 16.019 55.079 1.00 20.88 H new ATOM 0 HG12 VAL A 17 55.016 14.516 54.756 1.00 20.88 H new ATOM 0 HG13 VAL A 17 55.629 15.691 53.889 1.00 20.88 H new ATOM 0 HG21 VAL A 17 53.127 17.310 53.580 1.00 21.25 H new ATOM 0 HG22 VAL A 17 54.039 17.036 52.315 1.00 21.25 H new ATOM 0 HG23 VAL A 17 52.506 16.642 52.285 1.00 21.25 H new ATOM 38 N GLY A 18 55.290 12.462 52.778 1.00 22.14 N ATOM 39 CA GLY A 18 55.689 11.094 53.257 1.00 22.73 C ATOM 40 C GLY A 18 55.146 10.021 52.318 1.00 21.83 C ATOM 41 O GLY A 18 54.897 8.905 52.746 1.00 24.40 O ATOM 0 H GLY A 18 55.947 12.934 52.487 1.00 22.14 H new ATOM 0 HA2 GLY A 18 56.656 11.031 53.305 1.00 22.73 H new ATOM 0 HA3 GLY A 18 55.351 10.948 54.154 1.00 22.73 H new ATOM 45 N GLY A 19 55.000 10.336 51.064 1.00 22.17 N ATOM 46 CA GLY A 19 54.459 9.354 50.100 1.00 17.64 C ATOM 47 C GLY A 19 55.602 8.823 49.316 1.00 23.06 C ATOM 48 O GLY A 19 56.733 8.993 49.738 1.00 21.29 O ATOM 0 H GLY A 19 55.200 11.102 50.728 1.00 22.17 H new ATOM 0 HA2 GLY A 19 54.001 8.636 50.565 1.00 17.64 H new ATOM 0 HA3 GLY A 19 53.809 9.773 49.515 1.00 17.64 H new ATOM 52 N TYR A 20 55.285 8.191 48.212 1.00 23.54 N ATOM 53 CA TYR A 20 56.346 7.610 47.332 1.00 20.55 C ATOM 54 C TYR A 20 56.009 7.877 45.885 1.00 17.65 C ATOM 55 O TYR A 20 54.916 8.320 45.593 1.00 14.64 O ATOM 56 CB TYR A 20 56.447 6.093 47.565 1.00 20.35 C ATOM 57 CG TYR A 20 55.091 5.387 47.374 1.00 20.64 C ATOM 58 CD1 TYR A 20 54.736 4.893 46.157 1.00 19.09 C ATOM 59 CD2 TYR A 20 54.217 5.230 48.429 1.00 21.47 C ATOM 60 CE1 TYR A 20 53.539 4.269 46.008 1.00 21.65 C ATOM 61 CE2 TYR A 20 53.011 4.599 48.273 1.00 18.64 C ATOM 62 CZ TYR A 20 52.667 4.114 47.067 1.00 18.50 C ATOM 63 OH TYR A 20 51.458 3.473 46.915 1.00 22.26 O ATOM 0 H TYR A 20 54.480 8.074 47.933 1.00 23.54 H new ATOM 0 HA TYR A 20 57.197 8.023 47.547 1.00 20.55 H new ATOM 0 HB2 TYR A 20 57.096 5.715 46.952 1.00 20.35 H new ATOM 0 HB3 TYR A 20 56.774 5.926 48.463 1.00 20.35 H new ATOM 0 HD1 TYR A 20 55.310 4.982 45.431 1.00 19.09 H new ATOM 0 HD2 TYR A 20 54.452 5.560 49.266 1.00 21.47 H new ATOM 0 HE1 TYR A 20 53.301 3.938 45.172 1.00 21.65 H new ATOM 0 HE2 TYR A 20 52.434 4.507 48.997 1.00 18.64 H new ATOM 0 HH TYR A 20 51.522 2.893 46.311 1.00 22.26 H new ATOM 73 N THR A 21 56.921 7.585 45.012 1.00 19.39 N ATOM 74 CA THR A 21 56.679 7.817 43.580 1.00 15.02 C ATOM 75 C THR A 21 55.823 6.647 43.144 1.00 21.65 C ATOM 76 O THR A 21 56.242 5.510 43.243 1.00 23.99 O ATOM 77 CB THR A 21 58.049 7.841 42.866 1.00 19.08 C ATOM 78 OG1 THR A 21 58.824 8.863 43.497 1.00 22.55 O ATOM 79 CG2 THR A 21 57.921 8.263 41.403 1.00 18.04 C ATOM 0 H THR A 21 57.691 7.252 45.202 1.00 19.39 H new ATOM 0 HA THR A 21 56.234 8.654 43.375 1.00 15.02 H new ATOM 0 HB THR A 21 58.438 6.954 42.915 1.00 19.08 H new ATOM 0 HG1 THR A 21 59.581 8.905 43.135 1.00 22.55 H new ATOM 0 HG21 THR A 21 58.798 8.266 40.989 1.00 18.04 H new ATOM 0 HG22 THR A 21 57.345 7.638 40.935 1.00 18.04 H new ATOM 0 HG23 THR A 21 57.538 9.153 41.355 1.00 18.04 H new ATOM 87 N CYS A 22 54.644 6.960 42.669 1.00 24.32 N ATOM 88 CA CYS A 22 53.687 5.919 42.204 1.00 22.48 C ATOM 89 C CYS A 22 54.267 5.016 41.125 1.00 27.10 C ATOM 90 O CYS A 22 54.226 3.801 41.196 1.00 30.20 O ATOM 91 CB CYS A 22 52.443 6.579 41.622 1.00 21.81 C ATOM 92 SG CYS A 22 51.574 7.799 42.620 1.00 18.04 S ATOM 0 H CYS A 22 54.354 7.766 42.597 1.00 24.32 H new ATOM 0 HA CYS A 22 53.479 5.380 42.983 1.00 22.48 H new ATOM 0 HB2 CYS A 22 52.698 7.006 40.789 1.00 21.81 H new ATOM 0 HB3 CYS A 22 51.813 5.876 41.399 1.00 21.81 H new ATOM 97 N GLY A 23 54.767 5.686 40.139 1.00 24.93 N ATOM 98 CA GLY A 23 55.386 5.060 38.952 1.00 25.86 C ATOM 99 C GLY A 23 54.551 5.632 37.810 1.00 23.74 C ATOM 100 O GLY A 23 53.399 5.997 37.985 1.00 26.94 O ATOM 0 H GLY A 23 54.770 6.546 40.113 1.00 24.93 H new ATOM 0 HA2 GLY A 23 56.324 5.294 38.867 1.00 25.86 H new ATOM 0 HA3 GLY A 23 55.337 4.092 38.986 1.00 25.86 H new ATOM 104 N ALA A 24 55.147 5.685 36.657 1.00 19.11 N ATOM 105 CA ALA A 24 54.436 6.233 35.478 1.00 19.56 C ATOM 106 C ALA A 24 53.206 5.432 35.104 1.00 22.45 C ATOM 107 O ALA A 24 53.269 4.244 34.886 1.00 23.42 O ATOM 108 CB ALA A 24 55.361 6.265 34.275 1.00 20.57 C ATOM 0 H ALA A 24 55.951 5.420 36.508 1.00 19.11 H new ATOM 0 HA ALA A 24 54.154 7.127 35.726 1.00 19.56 H new ATOM 0 HB1 ALA A 24 54.885 6.625 33.510 1.00 20.57 H new ATOM 0 HB2 ALA A 24 56.128 6.825 34.471 1.00 20.57 H new ATOM 0 HB3 ALA A 24 55.662 5.365 34.074 1.00 20.57 H new ATOM 114 N ASN A 25 52.144 6.170 35.052 1.00 24.30 N ATOM 115 CA ASN A 25 50.781 5.702 34.708 1.00 25.07 C ATOM 116 C ASN A 25 50.273 4.519 35.556 1.00 24.77 C ATOM 117 O ASN A 25 49.624 3.604 35.051 1.00 21.12 O ATOM 118 CB ASN A 25 50.795 5.348 33.251 1.00 23.98 C ATOM 119 CG ASN A 25 51.394 6.504 32.453 1.00 24.91 C ATOM 120 OD1 ASN A 25 52.424 6.372 31.834 1.00 25.67 O ATOM 121 ND2 ASN A 25 50.832 7.668 32.409 1.00 22.49 N ATOM 0 H ASN A 25 52.169 7.013 35.222 1.00 24.30 H new ATOM 0 HA ASN A 25 50.157 6.418 34.905 1.00 25.07 H new ATOM 0 HB2 ASN A 25 51.314 4.541 33.109 1.00 23.98 H new ATOM 0 HB3 ASN A 25 49.894 5.163 32.944 1.00 23.98 H new ATOM 0 HD21 ASN A 25 51.193 8.303 31.954 1.00 22.49 H new ATOM 0 HD22 ASN A 25 50.098 7.807 32.834 1.00 22.49 H new ATOM 128 N THR A 26 50.542 4.543 36.835 1.00 25.01 N ATOM 129 CA THR A 26 50.058 3.423 37.687 1.00 21.61 C ATOM 130 C THR A 26 48.710 3.792 38.306 1.00 20.95 C ATOM 131 O THR A 26 48.029 2.967 38.896 1.00 24.40 O ATOM 132 CB THR A 26 51.126 3.151 38.784 1.00 24.55 C ATOM 133 OG1 THR A 26 51.420 4.433 39.338 1.00 24.50 O ATOM 134 CG2 THR A 26 52.416 2.598 38.130 1.00 22.91 C ATOM 0 H THR A 26 50.983 5.160 37.241 1.00 25.01 H new ATOM 0 HA THR A 26 49.930 2.619 37.159 1.00 21.61 H new ATOM 0 HB THR A 26 50.812 2.513 39.443 1.00 24.55 H new ATOM 0 HG1 THR A 26 52.074 4.770 38.933 1.00 24.50 H new ATOM 0 HG21 THR A 26 53.080 2.429 38.816 1.00 22.91 H new ATOM 0 HG22 THR A 26 52.214 1.771 37.665 1.00 22.91 H new ATOM 0 HG23 THR A 26 52.762 3.247 37.498 1.00 22.91 H new ATOM 142 N VAL A 27 48.353 5.032 38.148 1.00 20.76 N ATOM 143 CA VAL A 27 47.068 5.579 38.689 1.00 21.38 C ATOM 144 C VAL A 27 46.334 6.155 37.463 1.00 18.00 C ATOM 145 O VAL A 27 46.175 7.349 37.357 1.00 20.64 O ATOM 146 CB VAL A 27 47.422 6.674 39.735 1.00 19.28 C ATOM 147 CG1 VAL A 27 46.170 7.112 40.457 1.00 20.67 C ATOM 148 CG2 VAL A 27 48.417 6.111 40.754 1.00 21.15 C ATOM 0 H VAL A 27 48.828 5.611 37.726 1.00 20.76 H new ATOM 0 HA VAL A 27 46.508 4.924 39.134 1.00 21.38 H new ATOM 0 HB VAL A 27 47.817 7.433 39.278 1.00 19.28 H new ATOM 0 HG11 VAL A 27 46.394 7.795 41.109 1.00 20.67 H new ATOM 0 HG12 VAL A 27 45.536 7.472 39.817 1.00 20.67 H new ATOM 0 HG13 VAL A 27 45.774 6.351 40.910 1.00 20.67 H new ATOM 0 HG21 VAL A 27 48.636 6.796 41.405 1.00 21.15 H new ATOM 0 HG22 VAL A 27 48.021 5.350 41.207 1.00 21.15 H new ATOM 0 HG23 VAL A 27 49.225 5.830 40.297 1.00 21.15 H new ATOM 158 N PRO A 28 45.905 5.317 36.553 1.00 16.12 N ATOM 159 CA PRO A 28 45.409 5.768 35.218 1.00 16.35 C ATOM 160 C PRO A 28 44.169 6.713 35.194 1.00 14.15 C ATOM 161 O PRO A 28 43.892 7.320 34.168 1.00 15.43 O ATOM 162 CB PRO A 28 45.200 4.436 34.483 1.00 14.66 C ATOM 163 CG PRO A 28 44.871 3.459 35.614 1.00 14.01 C ATOM 164 CD PRO A 28 45.840 3.844 36.717 1.00 15.63 C ATOM 0 HA PRO A 28 46.045 6.365 34.794 1.00 16.35 H new ATOM 0 HB2 PRO A 28 44.478 4.493 33.837 1.00 14.66 H new ATOM 0 HB3 PRO A 28 45.995 4.167 33.997 1.00 14.66 H new ATOM 0 HG2 PRO A 28 43.949 3.546 35.903 1.00 14.01 H new ATOM 0 HG3 PRO A 28 44.995 2.538 35.336 1.00 14.01 H new ATOM 0 HD2 PRO A 28 45.515 3.588 37.594 1.00 15.63 H new ATOM 0 HD3 PRO A 28 46.708 3.425 36.603 1.00 15.63 H new ATOM 172 N TYR A 29 43.479 6.812 36.307 1.00 13.74 N ATOM 173 CA TYR A 29 42.261 7.696 36.404 1.00 12.41 C ATOM 174 C TYR A 29 42.610 9.095 36.942 1.00 17.20 C ATOM 175 O TYR A 29 41.723 9.940 36.990 1.00 12.64 O ATOM 176 CB TYR A 29 41.200 7.012 37.348 1.00 14.48 C ATOM 177 CG TYR A 29 41.849 6.589 38.691 1.00 13.90 C ATOM 178 CD1 TYR A 29 42.112 7.508 39.685 1.00 16.66 C ATOM 179 CD2 TYR A 29 42.223 5.271 38.926 1.00 13.01 C ATOM 180 CE1 TYR A 29 42.729 7.119 40.857 1.00 17.07 C ATOM 181 CE2 TYR A 29 42.833 4.875 40.100 1.00 13.16 C ATOM 182 CZ TYR A 29 43.099 5.798 41.086 1.00 14.50 C ATOM 183 OH TYR A 29 43.722 5.458 42.279 1.00 16.94 O ATOM 0 H TYR A 29 43.672 6.391 37.032 1.00 13.74 H new ATOM 0 HA TYR A 29 41.897 7.808 35.512 1.00 12.41 H new ATOM 0 HB2 TYR A 29 40.468 7.626 37.517 1.00 14.48 H new ATOM 0 HB3 TYR A 29 40.823 6.235 36.907 1.00 14.48 H new ATOM 0 HD1 TYR A 29 41.871 8.398 39.565 1.00 16.66 H new ATOM 0 HD2 TYR A 29 42.057 4.634 38.270 1.00 13.01 H new ATOM 0 HE1 TYR A 29 42.902 7.757 41.511 1.00 17.07 H new ATOM 0 HE2 TYR A 29 43.065 3.983 40.225 1.00 13.16 H new ATOM 0 HH TYR A 29 43.965 6.156 42.677 1.00 16.94 H new ATOM 193 N GLN A 30 43.869 9.282 37.319 1.00 11.83 N ATOM 194 CA GLN A 30 44.319 10.607 37.869 1.00 14.27 C ATOM 195 C GLN A 30 44.456 11.637 36.742 1.00 13.09 C ATOM 196 O GLN A 30 44.997 11.345 35.685 1.00 12.12 O ATOM 197 CB GLN A 30 45.723 10.406 38.624 1.00 14.64 C ATOM 198 CG GLN A 30 46.427 11.770 39.084 1.00 13.26 C ATOM 199 CD GLN A 30 45.908 12.284 40.421 1.00 8.44 C ATOM 200 OE1 GLN A 30 45.955 11.500 41.430 1.00 8.93 O flip ATOM 201 NE2 GLN A 30 45.459 13.398 40.580 1.00 7.47 N flip ATOM 0 H GLN A 30 44.484 8.682 37.275 1.00 11.83 H new ATOM 0 HA GLN A 30 43.659 10.940 38.497 1.00 14.27 H new ATOM 0 HB2 GLN A 30 45.581 9.848 39.405 1.00 14.64 H new ATOM 0 HB3 GLN A 30 46.327 9.924 38.038 1.00 14.64 H new ATOM 0 HG2 GLN A 30 47.385 11.629 39.147 1.00 13.26 H new ATOM 0 HG3 GLN A 30 46.284 12.447 38.405 1.00 13.26 H new ATOM 0 HE21 GLN A 30 45.417 13.943 39.916 1.00 7.47 H new ATOM 0 HE22 GLN A 30 45.182 13.643 41.356 1.00 7.47 H new ATOM 210 N VAL A 31 43.946 12.809 37.066 1.00 12.10 N ATOM 211 CA VAL A 31 43.995 13.920 36.108 1.00 16.50 C ATOM 212 C VAL A 31 44.676 15.119 36.807 1.00 17.71 C ATOM 213 O VAL A 31 44.727 15.230 38.010 1.00 14.26 O ATOM 214 CB AVAL A 31 42.531 14.155 35.806 0.67 15.21 C ATOM 215 CB BVAL A 31 42.559 14.385 35.556 0.62 18.57 C ATOM 216 CG1AVAL A 31 42.264 15.243 34.816 0.67 15.68 C ATOM 217 CG1BVAL A 31 41.641 13.187 35.241 0.62 21.58 C ATOM 218 CG2AVAL A 31 41.756 12.863 35.463 0.67 18.37 C ATOM 219 CG2BVAL A 31 41.824 15.446 36.388 0.62 16.66 C ATOM 0 H VAL A 31 43.571 12.990 37.819 1.00 12.10 H new ATOM 0 HA VAL A 31 44.499 13.764 35.294 1.00 16.50 H new ATOM 0 HB AVAL A 31 42.177 14.480 36.649 0.67 18.57 H new ATOM 0 HB BVAL A 31 42.778 14.841 34.729 0.62 18.57 H new ATOM 0 HG11AVAL A 31 41.308 15.329 34.679 0.67 21.58 H new ATOM 0 HG11BVAL A 31 40.788 13.511 34.912 0.62 21.58 H new ATOM 0 HG12AVAL A 31 42.619 16.081 35.152 0.67 21.58 H new ATOM 0 HG12BVAL A 31 42.057 12.629 34.565 0.62 21.58 H new ATOM 0 HG13AVAL A 31 42.692 15.026 33.973 0.67 21.58 H new ATOM 0 HG13BVAL A 31 41.500 12.667 36.047 0.62 21.58 H new ATOM 0 HG21AVAL A 31 40.828 13.081 35.281 0.67 16.66 H new ATOM 0 HG21BVAL A 31 40.974 15.654 35.970 0.62 16.66 H new ATOM 0 HG22AVAL A 31 42.150 12.447 34.680 0.67 16.66 H new ATOM 0 HG22BVAL A 31 41.669 15.105 37.283 0.62 16.66 H new ATOM 0 HG23AVAL A 31 41.802 12.249 36.213 0.67 16.66 H new ATOM 0 HG23BVAL A 31 42.364 16.250 36.438 0.62 16.66 H new ATOM 236 N SER A 32 45.152 16.006 35.981 1.00 19.87 N ATOM 237 CA SER A 32 45.841 17.237 36.431 1.00 15.45 C ATOM 238 C SER A 32 45.007 18.341 35.777 1.00 13.65 C ATOM 239 O SER A 32 44.762 18.267 34.582 1.00 6.61 O ATOM 240 CB SER A 32 47.273 17.211 35.889 1.00 12.48 C ATOM 241 OG SER A 32 47.856 18.506 36.068 1.00 9.90 O ATOM 0 H SER A 32 45.096 15.933 35.126 1.00 19.87 H new ATOM 0 HA SER A 32 45.908 17.349 37.392 1.00 15.45 H new ATOM 0 HB2 SER A 32 47.796 16.540 36.354 1.00 12.48 H new ATOM 0 HB3 SER A 32 47.272 16.970 34.950 1.00 12.48 H new ATOM 0 HG SER A 32 47.930 18.669 36.889 1.00 9.90 H new ATOM 247 N LEU A 33 44.611 19.300 36.542 1.00 11.01 N ATOM 248 CA LEU A 33 43.813 20.433 36.026 1.00 12.10 C ATOM 249 C LEU A 33 44.902 21.462 35.803 1.00 13.58 C ATOM 250 O LEU A 33 45.737 21.736 36.650 1.00 9.35 O ATOM 251 CB LEU A 33 42.796 20.944 37.073 1.00 16.48 C ATOM 252 CG LEU A 33 41.791 19.819 37.516 1.00 17.23 C ATOM 253 CD1 LEU A 33 40.710 20.489 38.389 1.00 17.20 C ATOM 254 CD2 LEU A 33 41.078 19.144 36.291 1.00 18.68 C ATOM 0 H LEU A 33 44.782 19.342 37.384 1.00 11.01 H new ATOM 0 HA LEU A 33 43.279 20.217 35.245 1.00 12.10 H new ATOM 0 HB2 LEU A 33 43.272 21.275 37.850 1.00 16.48 H new ATOM 0 HB3 LEU A 33 42.301 21.692 36.704 1.00 16.48 H new ATOM 0 HG LEU A 33 42.284 19.131 37.990 1.00 17.23 H new ATOM 0 HD11 LEU A 33 40.070 19.821 38.681 1.00 17.20 H new ATOM 0 HD12 LEU A 33 41.127 20.898 39.164 1.00 17.20 H new ATOM 0 HD13 LEU A 33 40.252 21.170 37.872 1.00 17.20 H new ATOM 0 HD21 LEU A 33 40.469 18.459 36.608 1.00 18.68 H new ATOM 0 HD22 LEU A 33 40.581 19.814 35.796 1.00 18.68 H new ATOM 0 HD23 LEU A 33 41.743 18.742 35.711 1.00 18.68 H new ATOM 266 N ASN A 34 44.873 22.012 34.637 1.00 13.72 N ATOM 267 CA ASN A 34 45.910 23.021 34.293 1.00 15.26 C ATOM 268 C ASN A 34 45.334 24.319 33.785 1.00 17.84 C ATOM 269 O ASN A 34 44.468 24.232 32.935 1.00 13.32 O ATOM 270 CB ASN A 34 46.829 22.355 33.213 1.00 15.79 C ATOM 271 CG ASN A 34 47.970 23.233 32.665 1.00 15.65 C ATOM 272 OD1 ASN A 34 47.761 24.204 31.960 1.00 18.17 O ATOM 273 ND2 ASN A 34 49.198 22.918 32.975 1.00 13.10 N ATOM 0 H ASN A 34 44.295 21.846 34.022 1.00 13.72 H new ATOM 0 HA ASN A 34 46.405 23.265 35.091 1.00 15.26 H new ATOM 0 HB2 ASN A 34 47.217 21.552 33.594 1.00 15.79 H new ATOM 0 HB3 ASN A 34 46.273 22.076 32.469 1.00 15.79 H new ATOM 0 HD21 ASN A 34 49.851 23.395 32.682 1.00 13.10 H new ATOM 0 HD22 ASN A 34 49.354 22.234 33.472 1.00 13.10 H new ATOM 280 N SER A 37 45.770 25.454 34.286 1.00 12.89 N ATOM 281 CA SER A 37 45.222 26.723 33.764 1.00 14.46 C ATOM 282 C SER A 37 46.488 27.480 33.490 1.00 16.73 C ATOM 283 O SER A 37 46.636 28.624 33.863 1.00 18.25 O ATOM 284 CB SER A 37 44.371 27.443 34.798 1.00 16.03 C ATOM 285 OG SER A 37 45.214 27.372 35.918 1.00 20.03 O ATOM 0 H SER A 37 46.361 25.530 34.906 1.00 12.89 H new ATOM 0 HA SER A 37 44.634 26.616 33.000 1.00 14.46 H new ATOM 0 HB2 SER A 37 44.174 28.358 34.542 1.00 16.03 H new ATOM 0 HB3 SER A 37 43.520 27.001 34.948 1.00 16.03 H new ATOM 0 HG SER A 37 45.023 26.690 36.370 1.00 20.03 H new ATOM 291 N GLY A 38 47.400 26.805 32.838 1.00 21.52 N ATOM 292 CA GLY A 38 48.715 27.427 32.490 1.00 19.07 C ATOM 293 C GLY A 38 49.838 26.873 33.384 1.00 19.99 C ATOM 294 O GLY A 38 50.989 27.233 33.222 1.00 20.49 O ATOM 0 H GLY A 38 47.307 25.991 32.577 1.00 21.52 H new ATOM 0 HA2 GLY A 38 48.923 27.254 31.559 1.00 19.07 H new ATOM 0 HA3 GLY A 38 48.659 28.390 32.594 1.00 19.07 H new ATOM 298 N TYR A 39 49.428 26.027 34.291 1.00 15.06 N ATOM 299 CA TYR A 39 50.301 25.349 35.276 1.00 16.38 C ATOM 300 C TYR A 39 49.289 24.465 36.012 1.00 12.05 C ATOM 301 O TYR A 39 48.099 24.734 36.023 1.00 7.77 O ATOM 302 CB TYR A 39 50.974 26.348 36.335 1.00 18.52 C ATOM 303 CG TYR A 39 49.907 27.310 36.858 1.00 16.54 C ATOM 304 CD1 TYR A 39 49.611 28.433 36.109 1.00 16.71 C ATOM 305 CD2 TYR A 39 49.173 27.053 38.003 1.00 18.39 C ATOM 306 CE1 TYR A 39 48.608 29.276 36.466 1.00 14.39 C ATOM 307 CE2 TYR A 39 48.155 27.899 38.361 1.00 14.85 C ATOM 308 CZ TYR A 39 47.872 28.999 37.589 1.00 17.57 C ATOM 309 OH TYR A 39 46.836 29.825 37.947 1.00 24.77 O ATOM 0 H TYR A 39 48.601 25.807 34.372 1.00 15.06 H new ATOM 0 HA TYR A 39 51.046 24.897 34.850 1.00 16.38 H new ATOM 0 HB2 TYR A 39 51.362 25.847 37.069 1.00 18.52 H new ATOM 0 HB3 TYR A 39 51.696 26.843 35.917 1.00 18.52 H new ATOM 0 HD1 TYR A 39 50.109 28.615 35.345 1.00 16.71 H new ATOM 0 HD2 TYR A 39 49.369 26.310 38.527 1.00 18.39 H new ATOM 0 HE1 TYR A 39 48.423 30.031 35.956 1.00 14.39 H new ATOM 0 HE2 TYR A 39 47.656 27.728 39.127 1.00 14.85 H new ATOM 0 HH TYR A 39 46.476 29.536 38.649 1.00 24.77 H new ATOM 319 N HIS A 40 49.808 23.434 36.610 1.00 15.10 N ATOM 320 CA HIS A 40 48.990 22.471 37.374 1.00 12.17 C ATOM 321 C HIS A 40 48.520 23.188 38.623 1.00 15.96 C ATOM 322 O HIS A 40 49.321 23.862 39.257 1.00 16.72 O ATOM 323 CB HIS A 40 49.883 21.230 37.745 1.00 11.05 C ATOM 324 CG HIS A 40 49.231 20.368 38.854 1.00 7.52 C ATOM 325 ND1 HIS A 40 48.329 19.445 38.634 1.00 9.31 N ATOM 326 CD2 HIS A 40 49.472 20.460 40.192 1.00 6.56 C ATOM 327 CE1 HIS A 40 48.018 18.984 39.820 1.00 8.56 C ATOM 328 NE2 HIS A 40 48.689 19.588 40.730 1.00 6.36 N ATOM 0 H HIS A 40 50.648 23.250 36.599 1.00 15.10 H new ATOM 0 HA HIS A 40 48.228 22.155 36.864 1.00 12.17 H new ATOM 0 HB2 HIS A 40 50.027 20.686 36.955 1.00 11.05 H new ATOM 0 HB3 HIS A 40 50.755 21.535 38.042 1.00 11.05 H new ATOM 0 HD2 HIS A 40 50.070 21.027 40.623 1.00 6.56 H new ATOM 0 HE1 HIS A 40 47.396 18.311 39.980 1.00 8.56 H new ATOM 0 HE2 HIS A 40 48.626 19.435 41.574 1.00 6.36 H new ATOM 336 N PHE A 41 47.257 23.050 38.948 1.00 13.85 N ATOM 337 CA PHE A 41 46.767 23.720 40.172 1.00 9.97 C ATOM 338 C PHE A 41 45.944 22.746 40.977 1.00 11.23 C ATOM 339 O PHE A 41 45.793 22.956 42.152 1.00 11.44 O ATOM 340 CB PHE A 41 45.940 24.984 39.842 1.00 12.85 C ATOM 341 CG PHE A 41 44.642 24.759 39.114 1.00 17.00 C ATOM 342 CD1 PHE A 41 43.493 24.584 39.839 1.00 21.20 C ATOM 343 CD2 PHE A 41 44.589 24.714 37.720 1.00 20.18 C ATOM 344 CE1 PHE A 41 42.308 24.381 39.196 1.00 19.13 C ATOM 345 CE2 PHE A 41 43.383 24.502 37.071 1.00 22.02 C ATOM 346 CZ PHE A 41 42.237 24.341 37.819 1.00 22.11 C ATOM 0 H PHE A 41 46.673 22.597 38.508 1.00 13.85 H new ATOM 0 HA PHE A 41 47.534 24.008 40.691 1.00 9.97 H new ATOM 0 HB2 PHE A 41 45.747 25.447 40.672 1.00 12.85 H new ATOM 0 HB3 PHE A 41 46.490 25.577 39.307 1.00 12.85 H new ATOM 0 HD1 PHE A 41 43.521 24.604 40.768 1.00 21.20 H new ATOM 0 HD2 PHE A 41 45.367 24.827 37.224 1.00 20.18 H new ATOM 0 HE1 PHE A 41 41.532 24.267 39.696 1.00 19.13 H new ATOM 0 HE2 PHE A 41 43.348 24.469 36.142 1.00 22.02 H new ATOM 0 HZ PHE A 41 41.419 24.206 37.397 1.00 22.11 H new ATOM 356 N CYS A 42 45.418 21.725 40.387 1.00 9.27 N ATOM 357 CA CYS A 42 44.618 20.753 41.164 1.00 10.94 C ATOM 358 C CYS A 42 44.622 19.439 40.406 1.00 8.65 C ATOM 359 O CYS A 42 45.066 19.356 39.262 1.00 13.33 O ATOM 360 CB CYS A 42 43.155 21.276 41.348 1.00 12.09 C ATOM 361 SG CYS A 42 42.763 22.454 42.667 1.00 15.55 S ATOM 0 H CYS A 42 45.493 21.550 39.548 1.00 9.27 H new ATOM 0 HA CYS A 42 44.999 20.631 42.048 1.00 10.94 H new ATOM 0 HB2 CYS A 42 42.889 21.685 40.510 1.00 12.09 H new ATOM 0 HB3 CYS A 42 42.587 20.500 41.478 1.00 12.09 H new ATOM 366 N GLY A 43 44.104 18.432 41.057 1.00 10.77 N ATOM 367 CA GLY A 43 44.010 17.051 40.513 1.00 4.75 C ATOM 368 C GLY A 43 42.578 16.737 40.316 1.00 4.42 C ATOM 369 O GLY A 43 41.729 17.553 40.605 1.00 4.54 O ATOM 0 H GLY A 43 43.781 18.508 41.851 1.00 10.77 H new ATOM 0 HA2 GLY A 43 44.491 16.983 39.673 1.00 4.75 H new ATOM 0 HA3 GLY A 43 44.416 16.417 41.125 1.00 4.75 H new ATOM 373 N GLY A 44 42.309 15.572 39.807 1.00 10.51 N ATOM 374 CA GLY A 44 40.885 15.205 39.611 1.00 11.39 C ATOM 375 C GLY A 44 40.844 13.736 39.217 1.00 10.21 C ATOM 376 O GLY A 44 41.906 13.147 39.041 1.00 15.87 O ATOM 0 H GLY A 44 42.888 14.982 39.568 1.00 10.51 H new ATOM 0 HA2 GLY A 44 40.379 15.355 40.425 1.00 11.39 H new ATOM 0 HA3 GLY A 44 40.482 15.755 38.921 1.00 11.39 H new ATOM 380 N SER A 45 39.672 13.190 39.088 1.00 13.29 N ATOM 381 CA SER A 45 39.492 11.752 38.702 1.00 10.22 C ATOM 382 C SER A 45 38.600 11.588 37.490 1.00 7.45 C ATOM 383 O SER A 45 37.559 12.212 37.416 1.00 8.66 O ATOM 384 CB SER A 45 38.819 10.948 39.824 1.00 12.61 C ATOM 385 OG SER A 45 39.750 11.001 40.887 1.00 16.46 O ATOM 0 H SER A 45 38.934 13.614 39.214 1.00 13.29 H new ATOM 0 HA SER A 45 40.388 11.429 38.517 1.00 10.22 H new ATOM 0 HB2 SER A 45 37.967 11.336 40.078 1.00 12.61 H new ATOM 0 HB3 SER A 45 38.644 10.034 39.550 1.00 12.61 H new ATOM 0 HG SER A 45 39.537 11.618 41.416 1.00 16.46 H new ATOM 391 N LEU A 46 38.989 10.746 36.567 1.00 9.52 N ATOM 392 CA LEU A 46 38.136 10.547 35.359 1.00 10.11 C ATOM 393 C LEU A 46 37.042 9.540 35.731 1.00 12.84 C ATOM 394 O LEU A 46 37.379 8.463 36.203 1.00 11.24 O ATOM 395 CB LEU A 46 39.013 9.983 34.235 1.00 10.84 C ATOM 396 CG LEU A 46 38.257 9.847 32.886 1.00 13.06 C ATOM 397 CD1 LEU A 46 37.977 11.228 32.263 1.00 12.57 C ATOM 398 CD2 LEU A 46 39.185 9.037 31.947 1.00 15.30 C ATOM 0 H LEU A 46 39.713 10.282 36.592 1.00 9.52 H new ATOM 0 HA LEU A 46 37.735 11.379 35.061 1.00 10.11 H new ATOM 0 HB2 LEU A 46 39.783 10.560 34.112 1.00 10.84 H new ATOM 0 HB3 LEU A 46 39.350 9.113 34.500 1.00 10.84 H new ATOM 0 HG LEU A 46 37.401 9.411 33.020 1.00 13.06 H new ATOM 0 HD11 LEU A 46 37.505 11.115 31.423 1.00 12.57 H new ATOM 0 HD12 LEU A 46 37.433 11.753 32.871 1.00 12.57 H new ATOM 0 HD13 LEU A 46 38.816 11.687 32.102 1.00 12.57 H new ATOM 0 HD21 LEU A 46 38.755 8.924 31.085 1.00 15.30 H new ATOM 0 HD22 LEU A 46 40.022 9.513 31.830 1.00 15.30 H new ATOM 0 HD23 LEU A 46 39.360 8.166 32.337 1.00 15.30 H new ATOM 410 N ILE A 47 35.785 9.847 35.524 1.00 13.83 N ATOM 411 CA ILE A 47 34.737 8.844 35.897 1.00 15.88 C ATOM 412 C ILE A 47 34.174 8.116 34.648 1.00 18.17 C ATOM 413 O ILE A 47 33.478 7.124 34.754 1.00 16.83 O ATOM 414 CB ILE A 47 33.650 9.593 36.735 1.00 17.87 C ATOM 415 CG1 ILE A 47 33.185 10.924 36.160 1.00 18.34 C ATOM 416 CG2 ILE A 47 34.332 9.888 38.072 1.00 20.87 C ATOM 417 CD1 ILE A 47 31.972 11.435 36.967 1.00 20.33 C ATOM 0 H ILE A 47 35.498 10.585 35.187 1.00 13.83 H new ATOM 0 HA ILE A 47 35.112 8.133 36.439 1.00 15.88 H new ATOM 0 HB ILE A 47 32.857 9.035 36.772 1.00 17.87 H new ATOM 0 HG12 ILE A 47 33.906 11.572 36.195 1.00 18.34 H new ATOM 0 HG13 ILE A 47 32.944 10.818 35.226 1.00 18.34 H new ATOM 0 HG21 ILE A 47 33.714 10.357 38.654 1.00 20.87 H new ATOM 0 HG22 ILE A 47 34.600 9.055 38.490 1.00 20.87 H new ATOM 0 HG23 ILE A 47 35.115 10.440 37.921 1.00 20.87 H new ATOM 0 HD11 ILE A 47 31.674 12.283 36.602 1.00 20.33 H new ATOM 0 HD12 ILE A 47 31.251 10.789 36.912 1.00 20.33 H new ATOM 0 HD13 ILE A 47 32.228 11.555 37.895 1.00 20.33 H new ATOM 429 N ASN A 48 34.458 8.617 33.489 1.00 16.84 N ATOM 430 CA ASN A 48 34.015 7.982 32.199 1.00 16.65 C ATOM 431 C ASN A 48 34.731 8.821 31.129 1.00 17.29 C ATOM 432 O ASN A 48 35.277 9.851 31.483 1.00 17.61 O ATOM 433 CB ASN A 48 32.404 7.960 32.047 1.00 19.82 C ATOM 434 CG ASN A 48 31.652 9.281 31.943 1.00 18.34 C ATOM 435 OD1 ASN A 48 32.191 10.305 31.364 1.00 19.24 O flip ATOM 436 ND2 ASN A 48 30.531 9.381 32.408 1.00 14.16 N flip ATOM 0 H ASN A 48 34.914 9.338 33.384 1.00 16.84 H new ATOM 0 HA ASN A 48 34.246 7.042 32.133 1.00 16.65 H new ATOM 0 HB2 ASN A 48 32.192 7.440 31.256 1.00 19.82 H new ATOM 0 HB3 ASN A 48 32.045 7.478 32.808 1.00 19.82 H new ATOM 0 HD21 ASN A 48 30.164 8.706 32.795 1.00 14.16 H new ATOM 0 HD22 ASN A 48 30.106 10.126 32.350 1.00 14.16 H new ATOM 443 N SER A 49 34.730 8.422 29.871 1.00 17.30 N ATOM 444 CA SER A 49 35.419 9.168 28.773 1.00 16.38 C ATOM 445 C SER A 49 35.134 10.693 28.624 1.00 19.12 C ATOM 446 O SER A 49 35.957 11.392 28.064 1.00 12.00 O ATOM 447 CB SER A 49 35.086 8.356 27.492 1.00 19.19 C ATOM 448 OG SER A 49 33.672 8.481 27.390 1.00 20.50 O ATOM 0 H SER A 49 34.332 7.707 29.605 1.00 17.30 H new ATOM 0 HA SER A 49 36.366 9.216 28.979 1.00 16.38 H new ATOM 0 HB2 SER A 49 35.535 8.717 26.712 1.00 19.19 H new ATOM 0 HB3 SER A 49 35.359 7.429 27.574 1.00 19.19 H new ATOM 0 HG SER A 49 33.304 7.854 27.811 1.00 20.50 H new ATOM 454 N GLN A 50 34.018 11.183 29.079 1.00 14.16 N ATOM 455 CA GLN A 50 33.647 12.643 28.975 1.00 14.81 C ATOM 456 C GLN A 50 33.577 13.456 30.288 1.00 15.41 C ATOM 457 O GLN A 50 33.474 14.662 30.174 1.00 16.10 O ATOM 458 CB AGLN A 50 32.262 12.792 28.332 0.60 17.80 C ATOM 459 CB BGLN A 50 32.247 12.785 28.315 0.39 16.47 C ATOM 460 CG AGLN A 50 32.191 12.249 26.891 0.60 20.50 C ATOM 461 CG BGLN A 50 32.204 12.328 26.821 0.39 17.29 C ATOM 462 CD AGLN A 50 30.753 12.511 26.471 0.60 21.07 C ATOM 463 CD BGLN A 50 30.748 12.008 26.428 0.39 19.65 C ATOM 464 OE1AGLN A 50 30.504 13.435 25.613 0.60 27.48 O flip ATOM 465 OE1BGLN A 50 29.889 11.856 27.280 0.39 24.92 O ATOM 466 NE2AGLN A 50 29.835 11.871 26.950 0.60 17.75 N flip ATOM 467 NE2BGLN A 50 30.406 11.880 25.188 0.39 17.00 N ATOM 0 H GLN A 50 33.420 10.703 29.469 1.00 14.16 H new ATOM 0 HA GLN A 50 34.381 13.003 28.453 1.00 14.81 H new ATOM 0 HB2AGLN A 50 31.608 12.327 28.878 0.60 16.47 H new ATOM 0 HB2BGLN A 50 31.605 12.264 28.822 0.39 16.47 H new ATOM 0 HB3AGLN A 50 32.014 13.730 28.329 0.60 16.47 H new ATOM 0 HB3BGLN A 50 31.966 13.712 28.369 0.39 16.47 H new ATOM 0 HG2AGLN A 50 32.820 12.703 26.309 0.60 17.29 H new ATOM 0 HG2BGLN A 50 32.559 13.026 26.248 0.39 17.29 H new ATOM 0 HG3AGLN A 50 32.405 11.303 26.857 0.60 17.29 H new ATOM 0 HG3BGLN A 50 32.763 11.546 26.695 0.39 17.29 H new ATOM 0 HE21AGLN A 50 29.996 11.252 27.524 0.60 17.00 H new ATOM 0 HE21BGLN A 50 30.993 11.982 24.567 0.39 17.00 H new ATOM 0 HE22AGLN A 50 29.025 12.038 26.714 0.60 17.00 H new ATOM 0 HE22BGLN A 50 29.592 11.693 24.984 0.39 17.00 H new ATOM 482 N TRP A 51 33.631 12.834 31.430 1.00 11.63 N ATOM 483 CA TRP A 51 33.523 13.578 32.710 1.00 13.53 C ATOM 484 C TRP A 51 34.588 13.329 33.795 1.00 12.77 C ATOM 485 O TRP A 51 35.062 12.218 33.948 1.00 9.13 O ATOM 486 CB TRP A 51 32.136 13.265 33.386 1.00 11.81 C ATOM 487 CG TRP A 51 30.878 13.766 32.627 1.00 10.06 C ATOM 488 CD1 TRP A 51 30.194 13.098 31.649 1.00 8.51 C ATOM 489 CD2 TRP A 51 30.276 14.961 32.828 1.00 11.59 C ATOM 490 NE1 TRP A 51 29.243 13.930 31.329 1.00 9.24 N ATOM 491 CE2 TRP A 51 29.192 15.076 31.961 1.00 11.04 C ATOM 492 CE3 TRP A 51 30.561 16.017 33.702 1.00 15.75 C ATOM 493 CZ2 TRP A 51 28.394 16.215 31.951 1.00 13.27 C ATOM 494 CZ3 TRP A 51 29.746 17.177 33.699 1.00 19.26 C ATOM 495 CH2 TRP A 51 28.669 17.264 32.812 1.00 18.44 C ATOM 0 H TRP A 51 33.729 11.984 31.515 1.00 11.63 H new ATOM 0 HA TRP A 51 33.648 14.496 32.421 1.00 13.53 H new ATOM 0 HB2 TRP A 51 32.062 12.305 33.500 1.00 11.81 H new ATOM 0 HB3 TRP A 51 32.133 13.657 34.273 1.00 11.81 H new ATOM 0 HD1 TRP A 51 30.366 12.254 31.297 1.00 8.51 H new ATOM 0 HE1 TRP A 51 28.667 13.733 30.722 1.00 9.24 H new ATOM 0 HE3 TRP A 51 31.284 15.958 34.284 1.00 15.75 H new ATOM 0 HZ2 TRP A 51 27.674 16.272 31.365 1.00 13.27 H new ATOM 0 HZ3 TRP A 51 29.927 17.877 34.284 1.00 19.26 H new ATOM 0 HH2 TRP A 51 28.137 18.027 32.800 1.00 18.44 H new ATOM 506 N VAL A 52 34.898 14.364 34.521 1.00 12.58 N ATOM 507 CA VAL A 52 35.895 14.324 35.638 1.00 15.34 C ATOM 508 C VAL A 52 35.231 14.909 36.927 1.00 10.12 C ATOM 509 O VAL A 52 34.436 15.824 36.848 1.00 7.09 O ATOM 510 CB VAL A 52 37.135 15.188 35.227 1.00 17.01 C ATOM 511 CG1 VAL A 52 38.093 15.447 36.443 1.00 17.40 C ATOM 512 CG2 VAL A 52 37.967 14.424 34.168 1.00 18.84 C ATOM 0 H VAL A 52 34.547 15.140 34.403 1.00 12.58 H new ATOM 0 HA VAL A 52 36.180 13.414 35.814 1.00 15.34 H new ATOM 0 HB VAL A 52 36.794 16.031 34.889 1.00 17.01 H new ATOM 0 HG11 VAL A 52 38.847 15.983 36.152 1.00 17.40 H new ATOM 0 HG12 VAL A 52 37.611 15.919 37.140 1.00 17.40 H new ATOM 0 HG13 VAL A 52 38.414 14.599 36.789 1.00 17.40 H new ATOM 0 HG21 VAL A 52 38.735 14.958 33.913 1.00 18.84 H new ATOM 0 HG22 VAL A 52 38.269 13.581 34.540 1.00 18.84 H new ATOM 0 HG23 VAL A 52 37.418 14.254 33.386 1.00 18.84 H new ATOM 522 N VAL A 53 35.576 14.369 38.057 1.00 6.89 N ATOM 523 CA VAL A 53 35.019 14.870 39.351 1.00 9.94 C ATOM 524 C VAL A 53 36.226 15.508 40.011 1.00 7.73 C ATOM 525 O VAL A 53 37.288 14.948 39.902 1.00 10.63 O ATOM 526 CB AVAL A 53 34.430 13.657 40.176 0.74 10.32 C ATOM 527 CB BVAL A 53 34.537 13.701 40.276 0.17 13.81 C ATOM 528 CG1AVAL A 53 35.460 12.531 40.523 0.74 12.15 C ATOM 529 CG1BVAL A 53 33.365 12.988 39.656 0.17 12.31 C ATOM 530 CG2AVAL A 53 33.853 14.168 41.495 0.74 6.35 C ATOM 531 CG2BVAL A 53 35.631 12.610 40.506 0.17 16.33 C ATOM 0 H VAL A 53 36.127 13.713 38.132 1.00 6.89 H new ATOM 0 HA VAL A 53 34.285 15.499 39.266 1.00 9.94 H new ATOM 0 HB AVAL A 53 33.758 13.264 39.597 0.74 13.81 H new ATOM 0 HB BVAL A 53 34.310 14.122 41.120 0.17 13.81 H new ATOM 0 HG11AVAL A 53 35.017 11.831 41.027 0.74 12.31 H new ATOM 0 HG11BVAL A 53 33.078 12.268 40.239 0.17 12.31 H new ATOM 0 HG12AVAL A 53 35.822 12.159 39.703 0.74 12.31 H new ATOM 0 HG12BVAL A 53 32.634 13.614 39.532 0.17 12.31 H new ATOM 0 HG13AVAL A 53 36.181 12.904 41.054 0.74 12.31 H new ATOM 0 HG13BVAL A 53 33.626 12.622 38.796 0.17 12.31 H new ATOM 0 HG21AVAL A 53 33.492 13.423 42.001 0.74 16.33 H new ATOM 0 HG21BVAL A 53 35.279 11.915 41.083 0.17 16.33 H new ATOM 0 HG22AVAL A 53 34.554 14.598 42.010 0.74 16.33 H new ATOM 0 HG22BVAL A 53 35.887 12.223 39.654 0.17 16.33 H new ATOM 0 HG23AVAL A 53 33.147 14.808 41.313 0.74 16.33 H new ATOM 0 HG23BVAL A 53 36.408 13.013 40.924 0.17 16.33 H new ATOM 548 N SER A 54 36.089 16.625 40.669 1.00 7.50 N ATOM 549 CA SER A 54 37.276 17.237 41.332 1.00 5.84 C ATOM 550 C SER A 54 36.611 17.928 42.501 1.00 8.55 C ATOM 551 O SER A 54 35.454 17.637 42.760 1.00 10.82 O ATOM 552 CB SER A 54 37.972 18.276 40.444 1.00 4.90 C ATOM 553 OG SER A 54 39.077 18.738 41.228 1.00 5.44 O ATOM 0 H SER A 54 35.351 17.058 40.760 1.00 7.50 H new ATOM 0 HA SER A 54 37.969 16.596 41.554 1.00 5.84 H new ATOM 0 HB2 SER A 54 38.271 17.883 39.609 1.00 4.90 H new ATOM 0 HB3 SER A 54 37.372 19.004 40.216 1.00 4.90 H new ATOM 0 HG SER A 54 39.779 18.347 40.981 1.00 5.44 H new ATOM 559 N ALA A 55 37.321 18.822 43.158 1.00 10.90 N ATOM 560 CA ALA A 55 36.792 19.569 44.345 1.00 4.90 C ATOM 561 C ALA A 55 36.293 20.954 43.908 1.00 8.78 C ATOM 562 O ALA A 55 36.843 21.600 43.044 1.00 10.03 O ATOM 563 CB ALA A 55 37.903 19.782 45.361 1.00 5.00 C ATOM 0 H ALA A 55 38.128 19.031 42.948 1.00 10.90 H new ATOM 0 HA ALA A 55 36.070 19.051 44.734 1.00 4.90 H new ATOM 0 HB1 ALA A 55 37.554 20.266 46.126 1.00 5.00 H new ATOM 0 HB2 ALA A 55 38.245 18.922 45.651 1.00 5.00 H new ATOM 0 HB3 ALA A 55 38.619 20.294 44.955 1.00 5.00 H new ATOM 569 N ALA A 56 35.256 21.418 44.534 1.00 6.49 N ATOM 570 CA ALA A 56 34.733 22.765 44.164 1.00 3.90 C ATOM 571 C ALA A 56 35.695 23.916 44.520 1.00 7.20 C ATOM 572 O ALA A 56 35.652 24.979 43.908 1.00 5.18 O ATOM 573 CB ALA A 56 33.454 23.021 44.869 1.00 2.00 C ATOM 0 H ALA A 56 34.829 21.011 45.160 1.00 6.49 H new ATOM 0 HA ALA A 56 34.620 22.749 43.201 1.00 3.90 H new ATOM 0 HB1 ALA A 56 33.119 23.898 44.624 1.00 2.00 H new ATOM 0 HB2 ALA A 56 32.805 22.346 44.617 1.00 2.00 H new ATOM 0 HB3 ALA A 56 33.600 22.987 45.827 1.00 2.00 H new ATOM 579 N HIS A 57 36.538 23.709 45.480 1.00 6.43 N ATOM 580 CA HIS A 57 37.477 24.814 45.853 1.00 10.98 C ATOM 581 C HIS A 57 38.591 24.887 44.805 1.00 10.63 C ATOM 582 O HIS A 57 39.466 25.716 44.894 1.00 14.81 O ATOM 583 CB HIS A 57 38.064 24.606 47.348 1.00 8.47 C ATOM 584 CG HIS A 57 39.138 23.505 47.533 1.00 10.24 C ATOM 585 ND1 HIS A 57 38.977 22.256 47.834 1.00 12.02 N ATOM 586 CD2 HIS A 57 40.490 23.630 47.396 1.00 11.77 C ATOM 587 CE1 HIS A 57 40.096 21.639 47.885 1.00 13.21 C ATOM 588 NE2 HIS A 57 41.056 22.468 47.617 1.00 14.33 N ATOM 0 H HIS A 57 36.612 22.982 45.934 1.00 6.43 H new ATOM 0 HA HIS A 57 37.000 25.658 45.864 1.00 10.98 H new ATOM 0 HB2 HIS A 57 38.442 25.449 47.644 1.00 8.47 H new ATOM 0 HB3 HIS A 57 37.321 24.405 47.939 1.00 8.47 H new ATOM 0 HD1 HIS A 57 38.214 21.888 47.981 1.00 12.02 H new ATOM 0 HD2 HIS A 57 40.939 24.415 47.180 1.00 11.77 H new ATOM 0 HE1 HIS A 57 40.204 20.737 48.083 1.00 13.21 H new ATOM 596 N CYS A 58 38.533 24.039 43.820 1.00 15.54 N ATOM 597 CA CYS A 58 39.549 24.035 42.711 1.00 11.34 C ATOM 598 C CYS A 58 38.853 24.722 41.535 1.00 10.87 C ATOM 599 O CYS A 58 39.362 24.754 40.444 1.00 12.46 O ATOM 600 CB CYS A 58 39.893 22.636 42.230 1.00 14.74 C ATOM 601 SG CYS A 58 41.005 21.762 43.329 1.00 14.00 S ATOM 0 H CYS A 58 37.922 23.439 43.742 1.00 15.54 H new ATOM 0 HA CYS A 58 40.364 24.458 43.025 1.00 11.34 H new ATOM 0 HB2 CYS A 58 39.075 22.124 42.134 1.00 14.74 H new ATOM 0 HB3 CYS A 58 40.297 22.694 41.350 1.00 14.74 H new ATOM 606 N TYR A 59 37.688 25.256 41.753 1.00 11.37 N ATOM 607 CA TYR A 59 36.961 25.928 40.639 1.00 11.26 C ATOM 608 C TYR A 59 37.743 27.116 40.064 1.00 14.42 C ATOM 609 O TYR A 59 38.320 27.861 40.832 1.00 14.50 O ATOM 610 CB TYR A 59 35.542 26.422 41.171 1.00 12.89 C ATOM 611 CG TYR A 59 34.922 27.392 40.129 1.00 15.05 C ATOM 612 CD1 TYR A 59 35.021 28.771 40.278 1.00 16.59 C ATOM 613 CD2 TYR A 59 34.289 26.886 38.984 1.00 17.72 C ATOM 614 CE1 TYR A 59 34.510 29.597 39.317 1.00 12.78 C ATOM 615 CE2 TYR A 59 33.782 27.738 38.027 1.00 16.34 C ATOM 616 CZ TYR A 59 33.894 29.086 38.197 1.00 13.55 C ATOM 617 OH TYR A 59 33.383 29.918 37.233 1.00 15.65 O ATOM 0 H TYR A 59 37.281 25.258 42.511 1.00 11.37 H new ATOM 0 HA TYR A 59 36.852 25.285 39.921 1.00 11.26 H new ATOM 0 HB2 TYR A 59 34.955 25.663 41.313 1.00 12.89 H new ATOM 0 HB3 TYR A 59 35.642 26.868 42.027 1.00 12.89 H new ATOM 0 HD1 TYR A 59 35.434 29.130 41.030 1.00 16.59 H new ATOM 0 HD2 TYR A 59 34.211 25.966 38.870 1.00 17.72 H new ATOM 0 HE1 TYR A 59 34.579 30.519 39.421 1.00 12.78 H new ATOM 0 HE2 TYR A 59 33.366 27.395 37.269 1.00 16.34 H new ATOM 0 HH TYR A 59 33.043 29.458 36.618 1.00 15.65 H new ATOM 627 N LYS A 60 37.721 27.234 38.754 1.00 16.16 N ATOM 628 CA LYS A 60 38.387 28.313 37.946 1.00 17.34 C ATOM 629 C LYS A 60 37.682 28.243 36.594 1.00 19.51 C ATOM 630 O LYS A 60 36.958 27.311 36.284 1.00 19.27 O ATOM 631 CB LYS A 60 39.914 28.064 37.569 1.00 18.41 C ATOM 632 CG LYS A 60 40.930 28.722 38.442 1.00 20.41 C ATOM 633 CD LYS A 60 42.315 28.298 37.885 1.00 24.91 C ATOM 634 CE LYS A 60 43.450 28.821 38.813 1.00 23.98 C ATOM 635 NZ LYS A 60 44.663 27.984 38.593 0.00 24.53 N ATOM 0 H LYS A 60 37.302 26.670 38.259 1.00 16.16 H new ATOM 0 HA LYS A 60 38.339 29.130 38.466 1.00 17.34 H new ATOM 0 HB2 LYS A 60 40.078 27.108 37.580 1.00 18.41 H new ATOM 0 HB3 LYS A 60 40.055 28.366 36.658 1.00 18.41 H new ATOM 0 HG2 LYS A 60 40.830 29.687 38.425 1.00 20.41 H new ATOM 0 HG3 LYS A 60 40.827 28.443 39.365 1.00 20.41 H new ATOM 0 HD2 LYS A 60 42.362 27.331 37.818 1.00 24.91 H new ATOM 0 HD3 LYS A 60 42.432 28.650 36.989 1.00 24.91 H new ATOM 0 HE2 LYS A 60 43.643 29.752 38.619 1.00 23.98 H new ATOM 0 HE3 LYS A 60 43.174 28.777 39.742 1.00 23.98 H new ATOM 0 HZ1 LYS A 60 45.322 28.272 39.118 0.00 24.53 H new ATOM 0 HZ2 LYS A 60 44.478 27.136 38.788 0.00 24.53 H new ATOM 0 HZ3 LYS A 60 44.915 28.044 37.742 0.00 24.53 H new ATOM 649 N SER A 61 37.962 29.247 35.834 1.00 20.41 N ATOM 650 CA SER A 61 37.407 29.349 34.472 1.00 20.33 C ATOM 651 C SER A 61 38.674 29.059 33.628 1.00 20.80 C ATOM 652 O SER A 61 39.773 29.286 34.116 1.00 24.39 O ATOM 653 CB ASER A 61 36.931 30.787 34.182 0.44 17.91 C ATOM 654 CB BSER A 61 36.848 30.779 34.254 0.16 19.14 C ATOM 655 OG ASER A 61 35.934 31.031 35.161 0.44 19.11 O ATOM 656 OG BSER A 61 37.747 31.705 34.851 0.16 19.80 O ATOM 0 H SER A 61 38.473 29.900 36.063 1.00 20.41 H new ATOM 0 HA SER A 61 36.647 28.769 34.308 1.00 20.33 H new ATOM 0 HB2ASER A 61 37.660 31.422 34.254 0.44 19.14 H new ATOM 0 HB2BSER A 61 36.752 30.964 33.307 0.16 19.14 H new ATOM 0 HB3ASER A 61 36.572 30.867 33.284 0.44 19.14 H new ATOM 0 HB3BSER A 61 35.966 30.861 34.650 0.16 19.14 H new ATOM 0 HG ASER A 61 35.628 31.807 35.062 0.44 19.80 H new ATOM 0 HG BSER A 61 38.537 31.447 34.729 0.16 19.80 H new ATOM 665 N GLY A 62 38.541 28.564 32.433 1.00 16.80 N ATOM 666 CA GLY A 62 39.765 28.305 31.618 1.00 21.89 C ATOM 667 C GLY A 62 40.579 27.103 32.027 1.00 21.10 C ATOM 668 O GLY A 62 41.791 27.207 32.049 1.00 24.14 O ATOM 0 H GLY A 62 37.793 28.366 32.057 1.00 16.80 H new ATOM 0 HA2 GLY A 62 39.500 28.196 30.691 1.00 21.89 H new ATOM 0 HA3 GLY A 62 40.334 29.090 31.660 1.00 21.89 H new ATOM 672 N ILE A 63 39.915 26.018 32.315 1.00 19.94 N ATOM 673 CA ILE A 63 40.614 24.760 32.740 1.00 16.13 C ATOM 674 C ILE A 63 40.854 23.749 31.577 1.00 14.22 C ATOM 675 O ILE A 63 39.950 23.495 30.806 1.00 8.19 O ATOM 676 CB ILE A 63 39.734 24.075 33.833 1.00 17.11 C ATOM 677 CG1 ILE A 63 39.567 24.955 35.117 1.00 20.71 C ATOM 678 CG2 ILE A 63 40.217 22.665 34.177 1.00 17.94 C ATOM 679 CD1 ILE A 63 38.478 24.345 36.080 1.00 22.56 C ATOM 0 H ILE A 63 39.058 25.955 32.281 1.00 19.94 H new ATOM 0 HA ILE A 63 41.492 25.009 33.070 1.00 16.13 H new ATOM 0 HB ILE A 63 38.852 23.985 33.439 1.00 17.11 H new ATOM 0 HG12 ILE A 63 40.416 25.019 35.582 1.00 20.71 H new ATOM 0 HG13 ILE A 63 39.313 25.856 34.865 1.00 20.71 H new ATOM 0 HG21 ILE A 63 39.641 22.283 34.857 1.00 17.94 H new ATOM 0 HG22 ILE A 63 40.190 22.110 33.382 1.00 17.94 H new ATOM 0 HG23 ILE A 63 41.127 22.707 34.510 1.00 17.94 H new ATOM 0 HD11 ILE A 63 38.391 24.905 36.867 1.00 22.56 H new ATOM 0 HD12 ILE A 63 37.626 24.302 35.619 1.00 22.56 H new ATOM 0 HD13 ILE A 63 38.746 23.452 36.347 1.00 22.56 H new ATOM 691 N GLN A 64 42.042 23.207 31.505 1.00 13.21 N ATOM 692 CA GLN A 64 42.409 22.219 30.475 1.00 11.52 C ATOM 693 C GLN A 64 42.702 20.986 31.361 1.00 15.26 C ATOM 694 O GLN A 64 43.412 21.117 32.340 1.00 14.15 O ATOM 695 CB GLN A 64 43.703 22.591 29.725 1.00 12.85 C ATOM 696 CG GLN A 64 43.963 21.515 28.575 1.00 16.02 C ATOM 697 CD GLN A 64 45.324 21.761 27.909 1.00 18.84 C ATOM 698 OE1 GLN A 64 46.335 21.761 28.576 1.00 19.55 O ATOM 699 NE2 GLN A 64 45.435 21.980 26.618 1.00 15.20 N ATOM 0 H GLN A 64 42.680 23.392 32.051 1.00 13.21 H new ATOM 0 HA GLN A 64 41.729 22.119 29.790 1.00 11.52 H new ATOM 0 HB2 GLN A 64 43.625 23.479 29.342 1.00 12.85 H new ATOM 0 HB3 GLN A 64 44.453 22.612 30.340 1.00 12.85 H new ATOM 0 HG2 GLN A 64 43.937 20.620 28.949 1.00 16.02 H new ATOM 0 HG3 GLN A 64 43.258 21.566 27.911 1.00 16.02 H new ATOM 0 HE21 GLN A 64 44.733 21.985 26.121 1.00 15.20 H new ATOM 0 HE22 GLN A 64 46.209 22.118 26.270 1.00 15.20 H new ATOM 708 N VAL A 65 42.165 19.859 30.995 1.00 12.26 N ATOM 709 CA VAL A 65 42.347 18.588 31.722 1.00 11.96 C ATOM 710 C VAL A 65 43.505 17.836 31.036 1.00 11.12 C ATOM 711 O VAL A 65 43.557 17.771 29.808 1.00 14.03 O ATOM 712 CB VAL A 65 40.996 17.839 31.599 1.00 10.61 C ATOM 713 CG1 VAL A 65 41.020 16.466 32.223 1.00 13.52 C ATOM 714 CG2 VAL A 65 39.864 18.662 32.243 1.00 14.20 C ATOM 0 H VAL A 65 41.665 19.785 30.299 1.00 12.26 H new ATOM 0 HA VAL A 65 42.572 18.689 32.660 1.00 11.96 H new ATOM 0 HB VAL A 65 40.836 17.727 30.649 1.00 10.61 H new ATOM 0 HG11 VAL A 65 40.152 16.047 32.116 1.00 13.52 H new ATOM 0 HG12 VAL A 65 41.696 15.924 31.787 1.00 13.52 H new ATOM 0 HG13 VAL A 65 41.227 16.543 33.167 1.00 13.52 H new ATOM 0 HG21 VAL A 65 39.026 18.181 32.158 1.00 14.20 H new ATOM 0 HG22 VAL A 65 40.061 18.805 33.182 1.00 14.20 H new ATOM 0 HG23 VAL A 65 39.791 19.519 31.795 1.00 14.20 H new ATOM 724 N ARG A 66 44.396 17.300 31.823 1.00 12.94 N ATOM 725 CA ARG A 66 45.566 16.534 31.291 1.00 14.30 C ATOM 726 C ARG A 66 45.533 15.090 31.886 1.00 13.66 C ATOM 727 O ARG A 66 45.721 14.894 33.065 1.00 9.86 O ATOM 728 CB ARG A 66 46.921 17.256 31.669 1.00 13.82 C ATOM 729 CG ARG A 66 46.971 18.597 30.874 1.00 12.63 C ATOM 730 CD ARG A 66 48.286 19.369 31.046 1.00 12.18 C ATOM 731 NE ARG A 66 48.257 20.563 30.128 1.00 12.12 N ATOM 732 CZ ARG A 66 49.312 20.982 29.497 1.00 11.26 C ATOM 733 NH1 ARG A 66 50.495 20.655 29.933 1.00 16.54 N ATOM 734 NH2 ARG A 66 49.152 21.725 28.440 1.00 15.62 N ATOM 0 H ARG A 66 44.369 17.352 32.681 1.00 12.94 H new ATOM 0 HA ARG A 66 45.513 16.490 30.323 1.00 14.30 H new ATOM 0 HB2 ARG A 66 46.965 17.423 32.624 1.00 13.82 H new ATOM 0 HB3 ARG A 66 47.681 16.697 31.444 1.00 13.82 H new ATOM 0 HG2 ARG A 66 46.836 18.410 29.932 1.00 12.63 H new ATOM 0 HG3 ARG A 66 46.235 19.160 31.160 1.00 12.63 H new ATOM 0 HD2 ARG A 66 48.393 19.654 31.967 1.00 12.18 H new ATOM 0 HD3 ARG A 66 49.042 18.799 30.836 1.00 12.18 H new ATOM 0 HE ARG A 66 47.514 20.983 30.018 1.00 12.12 H new ATOM 0 HH11 ARG A 66 50.574 20.164 30.635 1.00 16.54 H new ATOM 0 HH12 ARG A 66 51.197 20.930 29.519 1.00 16.54 H new ATOM 0 HH21 ARG A 66 48.360 21.929 28.173 1.00 15.62 H new ATOM 0 HH22 ARG A 66 49.838 22.012 28.008 1.00 15.62 H new ATOM 748 N LEU A 67 45.302 14.159 30.988 1.00 12.06 N ATOM 749 CA LEU A 67 45.214 12.706 31.297 1.00 15.58 C ATOM 750 C LEU A 67 46.514 12.002 30.856 1.00 16.38 C ATOM 751 O LEU A 67 47.156 12.491 29.938 1.00 23.78 O ATOM 752 CB ALEU A 67 44.075 12.061 30.495 0.52 15.36 C ATOM 753 CB BLEU A 67 44.054 12.015 30.552 0.34 15.42 C ATOM 754 CG ALEU A 67 42.777 12.924 30.437 0.52 17.13 C ATOM 755 CG BLEU A 67 42.696 12.719 30.839 0.34 16.26 C ATOM 756 CD1ALEU A 67 41.770 12.293 29.434 0.52 18.07 C ATOM 757 CD1BLEU A 67 42.392 13.724 29.709 0.34 15.09 C ATOM 758 CD2ALEU A 67 42.139 12.965 31.826 0.52 15.10 C ATOM 759 CD2BLEU A 67 41.557 11.683 30.934 0.34 16.04 C ATOM 0 H LEU A 67 45.186 14.336 30.155 1.00 12.06 H new ATOM 0 HA LEU A 67 45.064 12.612 32.251 1.00 15.58 H new ATOM 0 HB2ALEU A 67 44.382 11.894 29.590 0.52 15.42 H new ATOM 0 HB2BLEU A 67 44.229 12.023 29.598 0.34 15.42 H new ATOM 0 HB3ALEU A 67 43.863 11.199 30.887 0.52 15.42 H new ATOM 0 HB3BLEU A 67 44.002 11.085 30.823 0.34 15.42 H new ATOM 0 HG ALEU A 67 43.001 13.822 30.147 0.52 16.26 H new ATOM 0 HG BLEU A 67 42.758 13.187 31.686 0.34 16.26 H new ATOM 0 HD11ALEU A 67 40.965 12.833 29.401 0.52 15.09 H new ATOM 0 HD11BLEU A 67 41.546 14.164 29.886 0.34 15.09 H new ATOM 0 HD12ALEU A 67 42.171 12.257 28.552 0.52 15.09 H new ATOM 0 HD12BLEU A 67 43.098 14.387 29.667 0.34 15.09 H new ATOM 0 HD13ALEU A 67 41.545 11.395 29.723 0.52 15.09 H new ATOM 0 HD13BLEU A 67 42.340 13.253 28.862 0.34 15.09 H new ATOM 0 HD21ALEU A 67 41.331 13.501 31.795 0.52 16.04 H new ATOM 0 HD21BLEU A 67 40.719 12.138 31.113 0.34 16.04 H new ATOM 0 HD22ALEU A 67 41.918 12.063 32.108 0.52 16.04 H new ATOM 0 HD22BLEU A 67 41.489 11.199 30.096 0.34 16.04 H new ATOM 0 HD23ALEU A 67 42.763 13.357 32.457 0.52 16.04 H new ATOM 0 HD23BLEU A 67 41.746 11.059 31.653 0.34 16.04 H new ATOM 780 N GLY A 69 46.872 10.928 31.454 1.00 17.74 N ATOM 781 CA GLY A 69 48.089 10.145 31.078 1.00 18.63 C ATOM 782 C GLY A 69 49.354 10.807 31.477 1.00 19.69 C ATOM 783 O GLY A 69 50.402 10.586 30.890 1.00 24.83 O ATOM 0 H GLY A 69 46.434 10.589 32.111 1.00 17.74 H new ATOM 0 HA2 GLY A 69 48.044 9.269 31.493 1.00 18.63 H new ATOM 0 HA3 GLY A 69 48.093 10.005 30.118 1.00 18.63 H new ATOM 787 N GLU A 70 49.229 11.599 32.485 1.00 18.51 N ATOM 788 CA GLU A 70 50.418 12.337 32.992 1.00 18.91 C ATOM 789 C GLU A 70 51.137 11.560 34.071 1.00 19.83 C ATOM 790 O GLU A 70 50.565 10.724 34.753 1.00 20.20 O ATOM 791 CB GLU A 70 50.001 13.700 33.662 1.00 19.34 C ATOM 792 CG GLU A 70 49.556 14.797 32.639 1.00 19.31 C ATOM 793 CD GLU A 70 50.807 15.464 32.024 1.00 21.48 C ATOM 794 OE1 GLU A 70 51.867 14.897 32.188 1.00 18.08 O ATOM 795 OE2 GLU A 70 50.648 16.505 31.414 1.00 20.95 O ATOM 0 H GLU A 70 48.495 11.747 32.908 1.00 18.51 H new ATOM 0 HA GLU A 70 50.987 12.477 32.219 1.00 18.91 H new ATOM 0 HB2 GLU A 70 49.275 13.536 34.284 1.00 19.34 H new ATOM 0 HB3 GLU A 70 50.748 14.037 34.181 1.00 19.34 H new ATOM 0 HG2 GLU A 70 49.012 14.400 31.940 1.00 19.31 H new ATOM 0 HG3 GLU A 70 49.007 15.463 33.082 1.00 19.31 H new ATOM 802 N ASP A 71 52.384 11.893 34.163 1.00 20.91 N ATOM 803 CA ASP A 71 53.254 11.298 35.172 1.00 20.48 C ATOM 804 C ASP A 71 54.134 12.504 35.510 1.00 22.19 C ATOM 805 O ASP A 71 53.958 13.104 36.554 1.00 15.36 O ATOM 806 CB ASP A 71 54.141 10.149 34.673 1.00 20.67 C ATOM 807 CG ASP A 71 54.962 9.677 35.906 1.00 22.48 C ATOM 808 OD1 ASP A 71 54.535 9.802 37.047 1.00 25.38 O ATOM 809 OD2 ASP A 71 56.029 9.181 35.643 1.00 25.78 O ATOM 0 H ASP A 71 52.769 12.468 33.652 1.00 20.91 H new ATOM 0 HA ASP A 71 52.749 10.892 35.894 1.00 20.48 H new ATOM 0 HB2 ASP A 71 53.603 9.425 34.316 1.00 20.67 H new ATOM 0 HB3 ASP A 71 54.726 10.447 33.959 1.00 20.67 H new ATOM 814 N ASN A 72 55.034 12.858 34.623 1.00 14.36 N ATOM 815 CA ASN A 72 55.928 14.038 34.923 1.00 15.80 C ATOM 816 C ASN A 72 55.096 15.157 34.305 1.00 13.30 C ATOM 817 O ASN A 72 54.979 15.118 33.110 1.00 7.63 O ATOM 818 CB ASN A 72 57.285 13.949 34.195 1.00 14.25 C ATOM 819 CG ASN A 72 58.118 15.172 34.550 1.00 12.64 C ATOM 820 OD1 ASN A 72 57.653 16.287 34.638 1.00 17.84 O ATOM 821 ND2 ASN A 72 59.386 15.042 34.767 1.00 16.13 N ATOM 0 H ASN A 72 55.167 12.471 33.866 1.00 14.36 H new ATOM 0 HA ASN A 72 56.153 14.130 35.862 1.00 15.80 H new ATOM 0 HB2 ASN A 72 57.752 13.139 34.454 1.00 14.25 H new ATOM 0 HB3 ASN A 72 57.148 13.903 33.236 1.00 14.25 H new ATOM 0 HD21 ASN A 72 59.861 15.731 34.964 1.00 16.13 H new ATOM 0 HD22 ASN A 72 59.754 14.267 34.714 1.00 16.13 H new ATOM 828 N ILE A 73 54.547 16.083 35.007 1.00 10.33 N ATOM 829 CA ILE A 73 53.731 17.143 34.360 1.00 12.45 C ATOM 830 C ILE A 73 54.502 18.249 33.662 1.00 14.23 C ATOM 831 O ILE A 73 53.898 19.146 33.084 1.00 13.74 O ATOM 832 CB ILE A 73 52.815 17.778 35.412 1.00 8.21 C ATOM 833 CG1 ILE A 73 53.663 18.121 36.686 1.00 11.72 C ATOM 834 CG2 ILE A 73 51.697 16.803 35.717 1.00 10.20 C ATOM 835 CD1 ILE A 73 52.778 18.846 37.681 1.00 10.44 C ATOM 0 H ILE A 73 54.612 16.148 35.862 1.00 10.33 H new ATOM 0 HA ILE A 73 53.243 16.687 33.657 1.00 12.45 H new ATOM 0 HB ILE A 73 52.421 18.604 35.090 1.00 8.21 H new ATOM 0 HG12 ILE A 73 54.018 17.310 37.081 1.00 11.72 H new ATOM 0 HG13 ILE A 73 54.422 18.675 36.445 1.00 11.72 H new ATOM 0 HG21 ILE A 73 51.105 17.187 36.382 1.00 10.20 H new ATOM 0 HG22 ILE A 73 51.197 16.620 34.906 1.00 10.20 H new ATOM 0 HG23 ILE A 73 52.072 15.976 36.058 1.00 10.20 H new ATOM 0 HD11 ILE A 73 53.293 19.063 38.474 1.00 10.44 H new ATOM 0 HD12 ILE A 73 52.442 19.663 37.280 1.00 10.44 H new ATOM 0 HD13 ILE A 73 52.032 18.276 37.926 1.00 10.44 H new ATOM 847 N ASN A 74 55.788 18.155 33.746 1.00 12.71 N ATOM 848 CA ASN A 74 56.646 19.179 33.100 1.00 15.69 C ATOM 849 C ASN A 74 57.272 18.604 31.814 1.00 15.67 C ATOM 850 O ASN A 74 57.939 19.333 31.089 1.00 14.23 O ATOM 851 CB ASN A 74 57.781 19.608 34.078 1.00 13.57 C ATOM 852 CG ASN A 74 57.464 20.862 34.904 1.00 13.70 C ATOM 853 OD1 ASN A 74 56.651 21.678 34.536 1.00 4.56 O ATOM 854 ND2 ASN A 74 58.075 21.113 36.027 1.00 10.42 N ATOM 0 H ASN A 74 56.210 17.529 34.158 1.00 12.71 H new ATOM 0 HA ASN A 74 56.102 19.950 32.876 1.00 15.69 H new ATOM 0 HB2 ASN A 74 57.966 18.873 34.684 1.00 13.57 H new ATOM 0 HB3 ASN A 74 58.591 19.766 33.568 1.00 13.57 H new ATOM 0 HD21 ASN A 74 57.892 21.830 36.466 1.00 10.42 H new ATOM 0 HD22 ASN A 74 58.662 20.562 36.330 1.00 10.42 H new ATOM 861 N VAL A 75 57.055 17.334 31.551 1.00 15.66 N ATOM 862 CA VAL A 75 57.635 16.695 30.346 1.00 14.90 C ATOM 863 C VAL A 75 56.653 15.957 29.477 1.00 16.38 C ATOM 864 O VAL A 75 55.974 15.102 30.004 1.00 22.63 O ATOM 865 CB VAL A 75 58.729 15.665 30.766 1.00 13.35 C ATOM 866 CG1 VAL A 75 59.341 15.010 29.509 1.00 13.39 C ATOM 867 CG2 VAL A 75 59.870 16.284 31.598 1.00 16.85 C ATOM 0 H VAL A 75 56.581 16.811 32.042 1.00 15.66 H new ATOM 0 HA VAL A 75 57.987 17.435 29.827 1.00 14.90 H new ATOM 0 HB VAL A 75 58.282 15.010 31.325 1.00 13.35 H new ATOM 0 HG11 VAL A 75 60.020 14.371 29.775 1.00 13.39 H new ATOM 0 HG12 VAL A 75 58.645 14.553 29.011 1.00 13.39 H new ATOM 0 HG13 VAL A 75 59.742 15.694 28.950 1.00 13.39 H new ATOM 0 HG21 VAL A 75 60.514 15.596 31.826 1.00 16.85 H new ATOM 0 HG22 VAL A 75 60.308 16.978 31.081 1.00 16.85 H new ATOM 0 HG23 VAL A 75 59.506 16.668 32.411 1.00 16.85 H new ATOM 877 N VAL A 76 56.559 16.206 28.217 1.00 14.59 N ATOM 878 CA VAL A 76 55.611 15.466 27.356 1.00 18.78 C ATOM 879 C VAL A 76 56.311 14.087 27.153 1.00 20.32 C ATOM 880 O VAL A 76 57.203 13.917 26.336 1.00 19.76 O ATOM 881 CB VAL A 76 55.459 16.190 26.001 1.00 18.24 C ATOM 882 CG1 VAL A 76 54.536 15.375 25.087 1.00 18.12 C ATOM 883 CG2 VAL A 76 54.806 17.578 26.199 1.00 17.17 C ATOM 0 H VAL A 76 57.026 16.800 27.806 1.00 14.59 H new ATOM 0 HA VAL A 76 54.722 15.390 27.738 1.00 18.78 H new ATOM 0 HB VAL A 76 56.341 16.288 25.610 1.00 18.24 H new ATOM 0 HG11 VAL A 76 54.440 15.829 24.235 1.00 18.12 H new ATOM 0 HG12 VAL A 76 54.918 14.495 24.942 1.00 18.12 H new ATOM 0 HG13 VAL A 76 53.665 15.284 25.504 1.00 18.12 H new ATOM 0 HG21 VAL A 76 54.717 18.020 25.340 1.00 17.17 H new ATOM 0 HG22 VAL A 76 53.929 17.469 26.598 1.00 17.17 H new ATOM 0 HG23 VAL A 76 55.362 18.117 26.783 1.00 17.17 H new ATOM 893 N GLU A 77 55.889 13.124 27.908 1.00 17.30 N ATOM 894 CA GLU A 77 56.476 11.764 27.824 1.00 22.19 C ATOM 895 C GLU A 77 55.825 10.871 26.815 1.00 23.31 C ATOM 896 O GLU A 77 56.336 9.789 26.614 1.00 29.09 O ATOM 897 CB GLU A 77 56.411 11.129 29.222 1.00 22.74 C ATOM 898 CG GLU A 77 57.375 11.954 30.132 1.00 25.58 C ATOM 899 CD GLU A 77 57.460 11.396 31.549 1.00 28.37 C ATOM 900 OE1 GLU A 77 56.525 11.638 32.292 1.00 28.73 O ATOM 901 OE2 GLU A 77 58.465 10.755 31.812 1.00 28.86 O ATOM 0 H GLU A 77 55.261 13.207 28.489 1.00 17.30 H new ATOM 0 HA GLU A 77 57.391 11.862 27.518 1.00 22.19 H new ATOM 0 HB2 GLU A 77 55.506 11.152 29.569 1.00 22.74 H new ATOM 0 HB3 GLU A 77 56.680 10.197 29.190 1.00 22.74 H new ATOM 0 HG2 GLU A 77 58.261 11.962 29.737 1.00 25.58 H new ATOM 0 HG3 GLU A 77 57.072 12.875 30.168 1.00 25.58 H new ATOM 908 N GLY A 78 54.749 11.312 26.228 1.00 24.27 N ATOM 909 CA GLY A 78 54.065 10.463 25.198 1.00 23.45 C ATOM 910 C GLY A 78 52.684 9.914 25.539 1.00 25.47 C ATOM 911 O GLY A 78 51.935 9.621 24.628 1.00 24.93 O ATOM 0 H GLY A 78 54.380 12.074 26.382 1.00 24.27 H new ATOM 0 HA2 GLY A 78 53.986 10.985 24.384 1.00 23.45 H new ATOM 0 HA3 GLY A 78 54.644 9.711 24.998 1.00 23.45 H new ATOM 915 N ASN A 79 52.303 9.781 26.782 1.00 23.27 N ATOM 916 CA ASN A 79 50.914 9.207 27.012 1.00 24.01 C ATOM 917 C ASN A 79 49.871 10.194 27.405 1.00 19.96 C ATOM 918 O ASN A 79 48.822 9.796 27.871 1.00 26.52 O ATOM 919 CB ASN A 79 50.986 8.139 28.118 1.00 24.29 C ATOM 920 CG ASN A 79 51.979 7.092 27.635 1.00 28.77 C ATOM 921 OD1 ASN A 79 51.790 6.409 26.538 1.00 27.83 O flip ATOM 922 ND2 ASN A 79 52.982 6.882 28.276 1.00 29.94 N flip ATOM 0 H ASN A 79 52.759 9.985 27.482 1.00 23.27 H new ATOM 0 HA ASN A 79 50.645 8.848 26.152 1.00 24.01 H new ATOM 0 HB2 ASN A 79 51.275 8.529 28.958 1.00 24.29 H new ATOM 0 HB3 ASN A 79 50.114 7.743 28.274 1.00 24.29 H new ATOM 0 HD21 ASN A 79 53.128 7.320 29.002 1.00 29.94 H new ATOM 0 HD22 ASN A 79 53.550 6.295 28.006 1.00 29.94 H new ATOM 929 N GLU A 80 50.134 11.434 27.178 1.00 20.46 N ATOM 930 CA GLU A 80 49.142 12.474 27.582 1.00 15.23 C ATOM 931 C GLU A 80 48.122 12.812 26.545 1.00 14.45 C ATOM 932 O GLU A 80 48.343 12.655 25.363 1.00 9.14 O ATOM 933 CB GLU A 80 49.822 13.830 27.932 1.00 15.03 C ATOM 934 CG GLU A 80 51.034 13.718 28.908 1.00 17.53 C ATOM 935 CD GLU A 80 52.375 13.420 28.216 1.00 17.75 C ATOM 936 OE1 GLU A 80 52.449 12.896 27.126 1.00 15.82 O ATOM 937 OE2 GLU A 80 53.332 13.747 28.854 1.00 15.09 O ATOM 0 H GLU A 80 50.850 11.729 26.804 1.00 20.46 H new ATOM 0 HA GLU A 80 48.710 12.060 28.346 1.00 15.23 H new ATOM 0 HB2 GLU A 80 50.122 14.249 27.110 1.00 15.03 H new ATOM 0 HB3 GLU A 80 49.159 14.419 28.325 1.00 15.03 H new ATOM 0 HG2 GLU A 80 51.115 14.548 29.404 1.00 17.53 H new ATOM 0 HG3 GLU A 80 50.852 13.018 29.554 1.00 17.53 H new ATOM 944 N GLN A 81 47.023 13.274 27.057 1.00 13.40 N ATOM 945 CA GLN A 81 45.870 13.707 26.258 1.00 15.24 C ATOM 946 C GLN A 81 45.582 15.011 27.035 1.00 15.04 C ATOM 947 O GLN A 81 45.475 14.936 28.250 1.00 9.74 O ATOM 948 CB GLN A 81 44.698 12.754 26.393 1.00 19.46 C ATOM 949 CG GLN A 81 44.979 11.476 25.657 1.00 19.77 C ATOM 950 CD GLN A 81 43.717 10.618 25.719 1.00 21.84 C ATOM 951 OE1 GLN A 81 42.681 11.005 25.210 1.00 23.29 O ATOM 952 NE2 GLN A 81 43.752 9.471 26.322 1.00 21.52 N ATOM 0 H GLN A 81 46.901 13.356 27.904 1.00 13.40 H new ATOM 0 HA GLN A 81 46.016 13.774 25.301 1.00 15.24 H new ATOM 0 HB2 GLN A 81 44.533 12.565 27.330 1.00 19.46 H new ATOM 0 HB3 GLN A 81 43.894 13.168 26.041 1.00 19.46 H new ATOM 0 HG2 GLN A 81 45.221 11.660 24.736 1.00 19.77 H new ATOM 0 HG3 GLN A 81 45.728 11.009 26.059 1.00 19.77 H new ATOM 0 HE21 GLN A 81 44.483 9.197 26.682 1.00 21.52 H new ATOM 0 HE22 GLN A 81 43.044 8.984 26.362 1.00 21.52 H new ATOM 961 N PHE A 82 45.483 16.120 26.348 1.00 11.99 N ATOM 962 CA PHE A 82 45.211 17.470 26.946 1.00 12.54 C ATOM 963 C PHE A 82 43.856 17.846 26.369 1.00 13.68 C ATOM 964 O PHE A 82 43.774 18.013 25.170 1.00 18.58 O ATOM 965 CB PHE A 82 46.306 18.440 26.475 1.00 16.85 C ATOM 966 CG PHE A 82 47.706 18.107 27.012 1.00 16.90 C ATOM 967 CD1 PHE A 82 48.812 18.722 26.459 1.00 18.68 C ATOM 968 CD2 PHE A 82 47.919 17.205 28.047 1.00 20.55 C ATOM 969 CE1 PHE A 82 50.079 18.450 26.921 1.00 16.32 C ATOM 970 CE2 PHE A 82 49.184 16.948 28.499 1.00 17.99 C ATOM 971 CZ PHE A 82 50.266 17.559 27.951 1.00 16.54 C ATOM 0 H PHE A 82 45.570 16.142 25.493 1.00 11.99 H new ATOM 0 HA PHE A 82 45.209 17.488 27.916 1.00 12.54 H new ATOM 0 HB2 PHE A 82 46.332 18.438 25.505 1.00 16.85 H new ATOM 0 HB3 PHE A 82 46.069 19.339 26.750 1.00 16.85 H new ATOM 0 HD1 PHE A 82 48.699 19.329 25.764 1.00 18.68 H new ATOM 0 HD2 PHE A 82 47.194 16.772 28.436 1.00 20.55 H new ATOM 0 HE1 PHE A 82 50.813 18.871 26.535 1.00 16.32 H new ATOM 0 HE2 PHE A 82 49.306 16.343 29.195 1.00 17.99 H new ATOM 0 HZ PHE A 82 51.121 17.377 28.268 1.00 16.54 H new ATOM 981 N ILE A 83 42.825 17.987 27.146 1.00 9.62 N ATOM 982 CA ILE A 83 41.479 18.330 26.605 1.00 11.84 C ATOM 983 C ILE A 83 40.873 19.445 27.397 1.00 14.55 C ATOM 984 O ILE A 83 40.977 19.442 28.602 1.00 10.65 O ATOM 985 CB ILE A 83 40.585 17.029 26.681 1.00 10.89 C ATOM 986 CG1 ILE A 83 41.222 15.854 25.877 1.00 16.21 C ATOM 987 CG2 ILE A 83 39.151 17.269 26.154 1.00 14.74 C ATOM 988 CD1 ILE A 83 40.448 14.526 26.079 1.00 18.10 C ATOM 0 H ILE A 83 42.851 17.894 28.001 1.00 9.62 H new ATOM 0 HA ILE A 83 41.545 18.631 25.685 1.00 11.84 H new ATOM 0 HB ILE A 83 40.536 16.795 27.621 1.00 10.89 H new ATOM 0 HG12 ILE A 83 41.236 16.079 24.934 1.00 16.21 H new ATOM 0 HG13 ILE A 83 42.144 15.736 26.154 1.00 16.21 H new ATOM 0 HG21 ILE A 83 38.640 16.447 26.219 1.00 14.74 H new ATOM 0 HG22 ILE A 83 38.722 17.959 26.685 1.00 14.74 H new ATOM 0 HG23 ILE A 83 39.190 17.552 25.227 1.00 14.74 H new ATOM 0 HD11 ILE A 83 40.873 13.822 25.565 1.00 18.10 H new ATOM 0 HD12 ILE A 83 40.454 14.288 27.019 1.00 18.10 H new ATOM 0 HD13 ILE A 83 39.532 14.636 25.779 1.00 18.10 H new ATOM 1000 N SER A 84 40.253 20.358 26.721 1.00 13.63 N ATOM 1001 CA SER A 84 39.628 21.478 27.446 1.00 17.43 C ATOM 1002 C SER A 84 38.285 21.046 28.007 1.00 18.50 C ATOM 1003 O SER A 84 37.669 20.103 27.524 1.00 15.26 O ATOM 1004 CB SER A 84 39.423 22.657 26.484 1.00 21.82 C ATOM 1005 OG SER A 84 40.755 23.068 26.178 1.00 24.25 O ATOM 0 H SER A 84 40.169 20.373 25.865 1.00 13.63 H new ATOM 0 HA SER A 84 40.207 21.748 28.176 1.00 17.43 H new ATOM 0 HB2 SER A 84 38.939 22.389 25.687 1.00 21.82 H new ATOM 0 HB3 SER A 84 38.914 23.372 26.897 1.00 21.82 H new ATOM 0 HG SER A 84 40.733 23.719 25.647 1.00 24.25 H new ATOM 1011 N ALA A 85 37.879 21.778 29.017 1.00 24.84 N ATOM 1012 CA ALA A 85 36.591 21.519 29.718 1.00 23.83 C ATOM 1013 C ALA A 85 35.555 22.318 28.961 1.00 21.82 C ATOM 1014 O ALA A 85 35.868 23.428 28.589 1.00 21.17 O ATOM 1015 CB ALA A 85 36.639 22.023 31.203 1.00 23.07 C ATOM 0 H ALA A 85 38.324 22.443 29.333 1.00 24.84 H new ATOM 0 HA ALA A 85 36.396 20.569 29.741 1.00 23.83 H new ATOM 0 HB1 ALA A 85 35.789 21.842 31.634 1.00 23.07 H new ATOM 0 HB2 ALA A 85 37.347 21.562 31.679 1.00 23.07 H new ATOM 0 HB3 ALA A 85 36.810 22.978 31.216 1.00 23.07 H new ATOM 1021 N SER A 86 34.388 21.766 28.761 1.00 22.59 N ATOM 1022 CA SER A 86 33.296 22.478 28.034 1.00 17.03 C ATOM 1023 C SER A 86 32.390 23.134 29.096 1.00 13.98 C ATOM 1024 O SER A 86 31.805 24.165 28.841 1.00 17.85 O ATOM 1025 CB SER A 86 32.449 21.468 27.137 1.00 16.46 C ATOM 1026 OG SER A 86 32.154 20.287 27.893 1.00 19.01 O ATOM 0 H SER A 86 34.179 20.976 29.029 1.00 22.59 H new ATOM 0 HA SER A 86 33.672 23.144 27.438 1.00 17.03 H new ATOM 0 HB2 SER A 86 31.626 21.891 26.846 1.00 16.46 H new ATOM 0 HB3 SER A 86 32.946 21.236 26.337 1.00 16.46 H new ATOM 0 HG SER A 86 32.598 19.642 27.590 1.00 19.01 H new ATOM 1032 N LYS A 87 32.267 22.490 30.248 1.00 15.86 N ATOM 1033 CA LYS A 87 31.432 23.030 31.335 1.00 14.58 C ATOM 1034 C LYS A 87 31.934 22.506 32.685 1.00 13.00 C ATOM 1035 O LYS A 87 32.500 21.456 32.702 1.00 7.79 O ATOM 1036 CB ALYS A 87 29.933 22.637 31.126 0.65 16.47 C ATOM 1037 CB BLYS A 87 29.989 22.582 31.011 0.26 16.06 C ATOM 1038 CG ALYS A 87 29.542 21.155 31.171 0.65 18.82 C ATOM 1039 CG BLYS A 87 29.016 22.842 32.167 0.26 17.63 C ATOM 1040 CD ALYS A 87 28.044 21.064 30.738 0.65 23.27 C ATOM 1041 CD BLYS A 87 27.576 22.973 31.668 0.26 19.54 C ATOM 1042 CE ALYS A 87 27.096 22.092 31.491 0.65 24.97 C ATOM 1043 CE BLYS A 87 27.106 21.862 30.700 0.26 21.05 C ATOM 1044 NZ ALYS A 87 25.713 22.087 30.906 0.65 25.66 N ATOM 1045 NZ BLYS A 87 25.650 22.051 30.425 0.26 22.14 N ATOM 0 H LYS A 87 32.653 21.743 30.428 1.00 15.86 H new ATOM 0 HA LYS A 87 31.497 23.998 31.326 1.00 14.58 H new ATOM 0 HB2ALYS A 87 29.412 23.098 31.802 0.65 16.06 H new ATOM 0 HB2BLYS A 87 29.679 23.050 30.220 0.26 16.06 H new ATOM 0 HB3ALYS A 87 29.655 22.988 30.265 0.65 16.06 H new ATOM 0 HB3BLYS A 87 29.988 21.635 30.799 0.26 16.06 H new ATOM 0 HG2ALYS A 87 30.103 20.634 30.576 0.65 17.63 H new ATOM 0 HG2BLYS A 87 29.073 22.117 32.809 0.26 17.63 H new ATOM 0 HG3ALYS A 87 29.664 20.795 32.063 0.65 17.63 H new ATOM 0 HG3BLYS A 87 29.274 23.653 32.632 0.26 17.63 H new ATOM 0 HD2ALYS A 87 27.982 21.220 29.783 0.65 19.54 H new ATOM 0 HD2BLYS A 87 26.983 22.984 32.436 0.26 19.54 H new ATOM 0 HD3ALYS A 87 27.723 20.163 30.900 0.65 19.54 H new ATOM 0 HD3BLYS A 87 27.480 23.830 31.224 0.26 19.54 H new ATOM 0 HE2ALYS A 87 27.052 21.865 32.433 0.65 21.05 H new ATOM 0 HE2BLYS A 87 27.612 21.900 29.873 0.26 21.05 H new ATOM 0 HE3ALYS A 87 27.471 22.984 31.432 0.65 21.05 H new ATOM 0 HE3BLYS A 87 27.264 20.988 31.089 0.26 21.05 H new ATOM 0 HZ1ALYS A 87 25.358 22.900 30.975 0.65 22.14 H new ATOM 0 HZ1BLYS A 87 25.484 21.875 29.568 0.26 22.14 H new ATOM 0 HZ2ALYS A 87 25.754 21.853 30.048 0.65 22.14 H new ATOM 0 HZ2BLYS A 87 25.177 21.499 30.938 0.26 22.14 H new ATOM 0 HZ3ALYS A 87 25.206 21.504 31.348 0.65 22.14 H new ATOM 0 HZ3BLYS A 87 25.420 22.892 30.605 0.26 22.14 H new ATOM 1070 N SER A 88 31.655 23.294 33.734 1.00 13.77 N ATOM 1071 CA SER A 88 32.063 22.944 35.135 1.00 14.55 C ATOM 1072 C SER A 88 30.781 23.114 35.981 1.00 13.89 C ATOM 1073 O SER A 88 30.113 24.124 35.821 1.00 13.85 O ATOM 1074 CB SER A 88 33.118 23.922 35.716 1.00 12.64 C ATOM 1075 OG SER A 88 34.150 24.010 34.749 1.00 23.70 O ATOM 0 H SER A 88 31.230 24.039 33.669 1.00 13.77 H new ATOM 0 HA SER A 88 32.448 22.054 35.146 1.00 14.55 H new ATOM 0 HB2 SER A 88 32.727 24.793 35.885 1.00 12.64 H new ATOM 0 HB3 SER A 88 33.463 23.597 36.562 1.00 12.64 H new ATOM 0 HG SER A 88 34.747 24.534 35.023 1.00 23.70 H new ATOM 1081 N ILE A 89 30.488 22.189 36.856 1.00 10.74 N ATOM 1082 CA ILE A 89 29.286 22.296 37.695 1.00 10.15 C ATOM 1083 C ILE A 89 29.727 22.181 39.143 1.00 13.93 C ATOM 1084 O ILE A 89 30.124 21.097 39.540 1.00 10.23 O ATOM 1085 CB ILE A 89 28.324 21.166 37.376 1.00 9.32 C ATOM 1086 CG1 ILE A 89 28.038 21.143 35.838 1.00 10.57 C ATOM 1087 CG2 ILE A 89 27.008 21.448 38.068 1.00 11.08 C ATOM 1088 CD1 ILE A 89 27.318 19.842 35.439 1.00 15.05 C ATOM 0 H ILE A 89 30.961 21.484 36.993 1.00 10.74 H new ATOM 0 HA ILE A 89 28.837 23.140 37.532 1.00 10.15 H new ATOM 0 HB ILE A 89 28.709 20.324 37.666 1.00 9.32 H new ATOM 0 HG12 ILE A 89 27.493 21.908 35.594 1.00 10.57 H new ATOM 0 HG13 ILE A 89 28.872 21.220 35.348 1.00 10.57 H new ATOM 0 HG21 ILE A 89 26.381 20.734 37.874 1.00 11.08 H new ATOM 0 HG22 ILE A 89 27.151 21.501 39.026 1.00 11.08 H new ATOM 0 HG23 ILE A 89 26.648 22.290 37.748 1.00 11.08 H new ATOM 0 HD11 ILE A 89 27.149 19.845 34.484 1.00 15.05 H new ATOM 0 HD12 ILE A 89 27.875 19.081 35.666 1.00 15.05 H new ATOM 0 HD13 ILE A 89 26.476 19.779 35.916 1.00 15.05 H new ATOM 1100 N VAL A 90 29.652 23.241 39.891 1.00 13.88 N ATOM 1101 CA VAL A 90 30.070 23.135 41.307 1.00 12.25 C ATOM 1102 C VAL A 90 28.810 22.598 42.032 1.00 16.20 C ATOM 1103 O VAL A 90 27.694 22.898 41.639 1.00 21.43 O ATOM 1104 CB VAL A 90 30.459 24.528 41.786 1.00 9.71 C ATOM 1105 CG1 VAL A 90 30.547 24.572 43.331 1.00 10.64 C ATOM 1106 CG2 VAL A 90 31.806 24.941 41.197 1.00 8.61 C ATOM 0 H VAL A 90 29.377 24.015 39.637 1.00 13.88 H new ATOM 0 HA VAL A 90 30.832 22.555 41.465 1.00 12.25 H new ATOM 0 HB VAL A 90 29.773 25.145 41.487 1.00 9.71 H new ATOM 0 HG11 VAL A 90 30.795 25.465 43.616 1.00 10.64 H new ATOM 0 HG12 VAL A 90 29.685 24.340 43.711 1.00 10.64 H new ATOM 0 HG13 VAL A 90 31.216 23.939 43.635 1.00 10.64 H new ATOM 0 HG21 VAL A 90 32.038 25.829 41.511 1.00 8.61 H new ATOM 0 HG22 VAL A 90 32.488 24.311 41.476 1.00 8.61 H new ATOM 0 HG23 VAL A 90 31.748 24.946 40.229 1.00 8.61 H new ATOM 1116 N HIS A 91 28.999 21.824 43.069 1.00 11.81 N ATOM 1117 CA HIS A 91 27.810 21.291 43.779 1.00 16.24 C ATOM 1118 C HIS A 91 26.941 22.497 44.197 1.00 11.52 C ATOM 1119 O HIS A 91 27.486 23.473 44.686 1.00 15.86 O ATOM 1120 CB HIS A 91 28.275 20.493 45.010 1.00 18.06 C ATOM 1121 CG HIS A 91 27.095 19.783 45.680 1.00 20.53 C ATOM 1122 ND1 HIS A 91 26.444 20.311 46.692 1.00 22.72 N ATOM 1123 CD2 HIS A 91 26.537 18.567 45.322 1.00 21.10 C ATOM 1124 CE1 HIS A 91 25.519 19.426 46.963 1.00 18.54 C ATOM 1125 NE2 HIS A 91 25.572 18.412 46.165 1.00 21.54 N ATOM 0 H HIS A 91 29.763 21.589 43.386 1.00 11.81 H new ATOM 0 HA HIS A 91 27.293 20.697 43.213 1.00 16.24 H new ATOM 0 HB2 HIS A 91 28.941 19.840 44.744 1.00 18.06 H new ATOM 0 HB3 HIS A 91 28.701 21.090 45.645 1.00 18.06 H new ATOM 0 HD1 HIS A 91 26.591 21.062 47.084 1.00 22.72 H new ATOM 0 HD2 HIS A 91 26.797 17.996 44.635 1.00 21.10 H new ATOM 0 HE1 HIS A 91 24.897 19.516 47.649 1.00 18.54 H new ATOM 1133 N PRO A 92 25.642 22.380 43.990 1.00 6.27 N ATOM 1134 CA PRO A 92 24.646 23.420 44.303 1.00 12.48 C ATOM 1135 C PRO A 92 24.664 23.885 45.764 1.00 8.76 C ATOM 1136 O PRO A 92 24.298 25.003 46.012 1.00 9.68 O ATOM 1137 CB PRO A 92 23.297 22.796 43.884 1.00 7.99 C ATOM 1138 CG PRO A 92 23.568 21.267 43.982 1.00 10.65 C ATOM 1139 CD PRO A 92 24.950 21.172 43.406 1.00 8.96 C ATOM 0 HA PRO A 92 24.836 24.242 43.825 1.00 12.48 H new ATOM 0 HB2 PRO A 92 22.577 23.071 44.473 1.00 7.99 H new ATOM 0 HB3 PRO A 92 23.044 23.058 42.985 1.00 7.99 H new ATOM 0 HG2 PRO A 92 23.531 20.947 44.897 1.00 10.65 H new ATOM 0 HG3 PRO A 92 22.924 20.749 43.474 1.00 10.65 H new ATOM 0 HD2 PRO A 92 25.390 20.347 43.662 1.00 8.96 H new ATOM 0 HD3 PRO A 92 24.938 21.198 42.436 1.00 8.96 H new ATOM 1147 N SER A 93 25.068 23.051 46.681 1.00 10.28 N ATOM 1148 CA SER A 93 25.099 23.481 48.103 1.00 8.91 C ATOM 1149 C SER A 93 26.553 23.657 48.646 1.00 10.53 C ATOM 1150 O SER A 93 26.805 23.584 49.828 1.00 8.66 O ATOM 1151 CB SER A 93 24.323 22.420 48.956 1.00 9.01 C ATOM 1152 OG SER A 93 23.061 22.126 48.307 1.00 14.28 O ATOM 0 H SER A 93 25.328 22.245 46.534 1.00 10.28 H new ATOM 0 HA SER A 93 24.676 24.351 48.169 1.00 8.91 H new ATOM 0 HB2 SER A 93 24.851 21.611 49.045 1.00 9.01 H new ATOM 0 HB3 SER A 93 24.168 22.758 49.852 1.00 9.01 H new ATOM 0 HG SER A 93 22.640 21.556 48.758 1.00 14.28 H new ATOM 1158 N TYR A 94 27.502 23.880 47.795 1.00 9.99 N ATOM 1159 CA TYR A 94 28.913 24.078 48.229 1.00 10.86 C ATOM 1160 C TYR A 94 29.016 25.376 49.042 1.00 13.91 C ATOM 1161 O TYR A 94 28.565 26.433 48.602 1.00 17.70 O ATOM 1162 CB TYR A 94 29.864 24.214 47.013 1.00 11.11 C ATOM 1163 CG TYR A 94 31.311 24.664 47.429 1.00 7.08 C ATOM 1164 CD1 TYR A 94 31.838 25.847 46.963 1.00 7.98 C ATOM 1165 CD2 TYR A 94 32.099 23.892 48.217 1.00 9.10 C ATOM 1166 CE1 TYR A 94 33.105 26.212 47.269 1.00 7.88 C ATOM 1167 CE2 TYR A 94 33.384 24.272 48.534 1.00 7.89 C ATOM 1168 CZ TYR A 94 33.901 25.424 48.050 1.00 10.79 C ATOM 1169 OH TYR A 94 35.198 25.808 48.335 1.00 14.56 O ATOM 0 H TYR A 94 27.382 23.927 46.945 1.00 9.99 H new ATOM 0 HA TYR A 94 29.170 23.306 48.756 1.00 10.86 H new ATOM 0 HB2 TYR A 94 29.914 23.364 46.548 1.00 11.11 H new ATOM 0 HB3 TYR A 94 29.495 24.858 46.388 1.00 11.11 H new ATOM 0 HD1 TYR A 94 31.316 26.403 46.431 1.00 7.98 H new ATOM 0 HD2 TYR A 94 31.765 23.090 48.550 1.00 9.10 H new ATOM 0 HE1 TYR A 94 33.440 27.015 46.941 1.00 7.88 H new ATOM 0 HE2 TYR A 94 33.901 23.731 49.086 1.00 7.89 H new ATOM 0 HH TYR A 94 35.273 26.639 48.236 1.00 14.56 H new ATOM 1179 N ASN A 95 29.627 25.230 50.196 1.00 15.47 N ATOM 1180 CA ASN A 95 29.850 26.332 51.174 1.00 14.43 C ATOM 1181 C ASN A 95 31.363 26.560 51.159 1.00 15.95 C ATOM 1182 O ASN A 95 32.128 25.748 51.646 1.00 18.55 O ATOM 1183 CB ASN A 95 29.330 25.830 52.490 1.00 15.71 C ATOM 1184 CG ASN A 95 29.313 26.989 53.454 1.00 13.77 C ATOM 1185 OD1 ASN A 95 30.231 27.780 53.483 1.00 18.96 O ATOM 1186 ND2 ASN A 95 28.315 27.146 54.262 1.00 17.39 N ATOM 0 H ASN A 95 29.941 24.475 50.461 1.00 15.47 H new ATOM 0 HA ASN A 95 29.403 27.171 50.983 1.00 14.43 H new ATOM 0 HB2 ASN A 95 28.438 25.463 52.385 1.00 15.71 H new ATOM 0 HB3 ASN A 95 29.893 25.116 52.827 1.00 15.71 H new ATOM 0 HD21 ASN A 95 28.307 27.807 54.813 1.00 17.39 H new ATOM 0 HD22 ASN A 95 27.659 26.590 54.249 1.00 17.39 H new ATOM 1193 N SER A 96 31.792 27.663 50.622 1.00 17.49 N ATOM 1194 CA SER A 96 33.253 27.922 50.548 1.00 20.93 C ATOM 1195 C SER A 96 33.863 28.292 51.861 1.00 19.57 C ATOM 1196 O SER A 96 35.077 28.322 51.999 1.00 18.75 O ATOM 1197 CB SER A 96 33.457 29.017 49.495 1.00 21.89 C ATOM 1198 OG SER A 96 32.751 30.157 49.987 1.00 24.41 O ATOM 0 H SER A 96 31.291 28.280 50.293 1.00 17.49 H new ATOM 0 HA SER A 96 33.712 27.105 50.297 1.00 20.93 H new ATOM 0 HB2 SER A 96 34.399 29.215 49.375 1.00 21.89 H new ATOM 0 HB3 SER A 96 33.113 28.739 48.631 1.00 21.89 H new ATOM 0 HG SER A 96 32.243 30.453 49.387 1.00 24.41 H new ATOM 1204 N ASN A 97 33.000 28.549 52.786 1.00 18.12 N ATOM 1205 CA ASN A 97 33.503 28.923 54.125 1.00 20.24 C ATOM 1206 C ASN A 97 33.762 27.641 54.908 1.00 19.22 C ATOM 1207 O ASN A 97 34.805 27.506 55.508 1.00 25.50 O ATOM 1208 CB ASN A 97 32.463 29.768 54.906 1.00 23.84 C ATOM 1209 CG ASN A 97 32.515 31.242 54.487 1.00 27.48 C ATOM 1210 OD1 ASN A 97 31.475 31.862 54.372 1.00 29.63 O ATOM 1211 ND2 ASN A 97 33.653 31.844 54.265 1.00 29.63 N ATOM 0 H ASN A 97 32.145 28.523 52.697 1.00 18.12 H new ATOM 0 HA ASN A 97 34.310 29.450 54.018 1.00 20.24 H new ATOM 0 HB2 ASN A 97 31.573 29.416 54.748 1.00 23.84 H new ATOM 0 HB3 ASN A 97 32.633 29.694 55.858 1.00 23.84 H new ATOM 0 HD21 ASN A 97 33.664 32.674 54.039 1.00 29.63 H new ATOM 0 HD22 ASN A 97 34.391 31.411 54.345 1.00 29.63 H new ATOM 1218 N THR A 98 32.861 26.705 54.900 1.00 16.90 N ATOM 1219 CA THR A 98 33.095 25.458 55.675 1.00 19.54 C ATOM 1220 C THR A 98 33.677 24.285 54.855 1.00 19.43 C ATOM 1221 O THR A 98 34.175 23.306 55.401 1.00 16.37 O ATOM 1222 CB THR A 98 31.732 25.101 56.278 1.00 20.51 C ATOM 1223 OG1 THR A 98 30.870 24.980 55.130 1.00 20.99 O ATOM 1224 CG2 THR A 98 31.201 26.292 57.160 1.00 20.18 C ATOM 0 H THR A 98 32.115 26.740 54.473 1.00 16.90 H new ATOM 0 HA THR A 98 33.778 25.614 56.346 1.00 19.54 H new ATOM 0 HB THR A 98 31.773 24.305 56.832 1.00 20.51 H new ATOM 0 HG1 THR A 98 30.094 24.782 55.382 1.00 20.99 H new ATOM 0 HG21 THR A 98 30.339 26.057 57.537 1.00 20.18 H new ATOM 0 HG22 THR A 98 31.829 26.469 57.877 1.00 20.18 H new ATOM 0 HG23 THR A 98 31.107 27.085 56.610 1.00 20.18 H new ATOM 1232 N LEU A 99 33.560 24.458 53.586 1.00 16.04 N ATOM 1233 CA LEU A 99 34.002 23.525 52.533 1.00 19.43 C ATOM 1234 C LEU A 99 33.077 22.314 52.529 1.00 16.97 C ATOM 1235 O LEU A 99 33.446 21.245 52.063 1.00 9.80 O ATOM 1236 CB LEU A 99 35.494 23.029 52.733 1.00 20.17 C ATOM 1237 CG LEU A 99 36.580 24.109 52.360 1.00 21.83 C ATOM 1238 CD1 LEU A 99 37.715 23.424 51.483 1.00 22.13 C ATOM 1239 CD2 LEU A 99 36.035 25.310 51.567 1.00 25.04 C ATOM 0 H LEU A 99 33.197 25.167 53.260 1.00 16.04 H new ATOM 0 HA LEU A 99 33.967 24.003 51.690 1.00 19.43 H new ATOM 0 HB2 LEU A 99 35.617 22.765 53.658 1.00 20.17 H new ATOM 0 HB3 LEU A 99 35.638 22.237 52.191 1.00 20.17 H new ATOM 0 HG LEU A 99 36.914 24.450 53.204 1.00 21.83 H new ATOM 0 HD11 LEU A 99 38.387 24.084 51.250 1.00 22.13 H new ATOM 0 HD12 LEU A 99 38.128 22.708 51.990 1.00 22.13 H new ATOM 0 HD13 LEU A 99 37.324 23.062 50.673 1.00 22.13 H new ATOM 0 HD21 LEU A 99 36.759 25.927 51.376 1.00 25.04 H new ATOM 0 HD22 LEU A 99 35.648 24.999 50.734 1.00 25.04 H new ATOM 0 HD23 LEU A 99 35.355 25.762 52.091 1.00 25.04 H new ATOM 1251 N ASN A 100 31.889 22.508 53.044 1.00 13.38 N ATOM 1252 CA ASN A 100 30.918 21.382 53.066 1.00 11.02 C ATOM 1253 C ASN A 100 30.472 21.265 51.565 1.00 11.94 C ATOM 1254 O ASN A 100 30.272 22.281 50.935 1.00 8.95 O ATOM 1255 CB ASN A 100 29.784 21.782 54.016 1.00 13.50 C ATOM 1256 CG ASN A 100 28.808 20.629 54.199 1.00 13.27 C ATOM 1257 OD1 ASN A 100 29.158 19.457 54.203 1.00 12.06 O ATOM 1258 ND2 ASN A 100 27.562 20.906 54.365 1.00 15.76 N ATOM 0 H ASN A 100 31.609 23.248 53.381 1.00 13.38 H new ATOM 0 HA ASN A 100 31.253 20.529 53.383 1.00 11.02 H new ATOM 0 HB2 ASN A 100 30.151 22.041 54.876 1.00 13.50 H new ATOM 0 HB3 ASN A 100 29.317 22.555 53.663 1.00 13.50 H new ATOM 0 HD21 ASN A 100 26.992 20.272 54.476 1.00 15.76 H new ATOM 0 HD22 ASN A 100 27.300 21.725 54.365 1.00 15.76 H new ATOM 1265 N ASN A 101 30.346 20.064 51.070 1.00 12.54 N ATOM 1266 CA ASN A 101 29.951 19.714 49.657 1.00 13.64 C ATOM 1267 C ASN A 101 31.017 20.205 48.694 1.00 12.92 C ATOM 1268 O ASN A 101 30.790 20.878 47.711 1.00 15.96 O ATOM 1269 CB ASN A 101 28.627 20.348 49.220 1.00 18.44 C ATOM 1270 CG ASN A 101 27.533 19.902 50.161 1.00 15.32 C ATOM 1271 OD1 ASN A 101 27.252 18.727 50.318 1.00 13.70 O ATOM 1272 ND2 ASN A 101 26.880 20.806 50.818 1.00 14.25 N ATOM 0 H ASN A 101 30.489 19.364 51.549 1.00 12.54 H new ATOM 0 HA ASN A 101 29.852 18.749 49.640 1.00 13.64 H new ATOM 0 HB2 ASN A 101 28.701 21.315 49.226 1.00 18.44 H new ATOM 0 HB3 ASN A 101 28.414 20.086 48.311 1.00 18.44 H new ATOM 0 HD21 ASN A 101 26.254 20.575 51.360 1.00 14.25 H new ATOM 0 HD22 ASN A 101 27.073 21.637 50.712 1.00 14.25 H new ATOM 1279 N ASP A 102 32.217 19.825 48.978 1.00 10.19 N ATOM 1280 CA ASP A 102 33.377 20.208 48.161 1.00 11.26 C ATOM 1281 C ASP A 102 33.600 19.266 46.990 1.00 11.53 C ATOM 1282 O ASP A 102 34.554 18.509 46.974 1.00 14.78 O ATOM 1283 CB ASP A 102 34.643 20.217 49.033 1.00 15.21 C ATOM 1284 CG ASP A 102 35.900 20.843 48.350 1.00 16.09 C ATOM 1285 OD1 ASP A 102 35.753 21.476 47.325 1.00 18.31 O ATOM 1286 OD2 ASP A 102 36.980 20.667 48.896 1.00 12.46 O ATOM 0 H ASP A 102 32.412 19.330 49.654 1.00 10.19 H new ATOM 0 HA ASP A 102 33.194 21.092 47.805 1.00 11.26 H new ATOM 0 HB2 ASP A 102 34.456 20.707 49.849 1.00 15.21 H new ATOM 0 HB3 ASP A 102 34.850 19.305 49.291 1.00 15.21 H new ATOM 1291 N ILE A 103 32.712 19.325 46.049 1.00 10.17 N ATOM 1292 CA ILE A 103 32.838 18.463 44.834 1.00 12.19 C ATOM 1293 C ILE A 103 32.310 19.289 43.633 1.00 11.54 C ATOM 1294 O ILE A 103 31.404 20.093 43.788 1.00 4.97 O ATOM 1295 CB ILE A 103 32.020 17.170 45.065 1.00 12.35 C ATOM 1296 CG1 ILE A 103 32.066 16.239 43.849 1.00 9.56 C ATOM 1297 CG2 ILE A 103 30.564 17.514 45.418 1.00 11.05 C ATOM 1298 CD1 ILE A 103 31.406 14.879 44.191 1.00 14.51 C ATOM 0 H ILE A 103 32.023 19.840 46.060 1.00 10.17 H new ATOM 0 HA ILE A 103 33.754 18.200 44.654 1.00 12.19 H new ATOM 0 HB ILE A 103 32.425 16.699 45.809 1.00 12.35 H new ATOM 0 HG12 ILE A 103 31.606 16.650 43.101 1.00 9.56 H new ATOM 0 HG13 ILE A 103 32.986 16.100 43.574 1.00 9.56 H new ATOM 0 HG21 ILE A 103 30.063 16.695 45.560 1.00 11.05 H new ATOM 0 HG22 ILE A 103 30.545 18.049 46.227 1.00 11.05 H new ATOM 0 HG23 ILE A 103 30.164 18.015 44.690 1.00 11.05 H new ATOM 0 HD11 ILE A 103 31.441 14.298 43.415 1.00 14.51 H new ATOM 0 HD12 ILE A 103 31.883 14.464 44.927 1.00 14.51 H new ATOM 0 HD13 ILE A 103 30.481 15.023 44.446 1.00 14.51 H new ATOM 1310 N MET A 104 32.915 19.058 42.505 1.00 15.03 N ATOM 1311 CA MET A 104 32.590 19.721 41.210 1.00 17.32 C ATOM 1312 C MET A 104 32.805 18.658 40.104 1.00 13.13 C ATOM 1313 O MET A 104 33.606 17.762 40.273 1.00 12.80 O ATOM 1314 CB MET A 104 33.550 20.908 41.052 1.00 18.30 C ATOM 1315 CG MET A 104 33.661 21.540 39.661 1.00 22.37 C ATOM 1316 SD MET A 104 34.906 22.862 39.621 1.00 19.34 S ATOM 1317 CE MET A 104 36.427 21.906 39.511 1.00 23.37 C ATOM 0 H MET A 104 33.558 18.491 42.437 1.00 15.03 H new ATOM 0 HA MET A 104 31.680 20.052 41.162 1.00 17.32 H new ATOM 0 HB2 MET A 104 33.278 21.600 41.675 1.00 18.30 H new ATOM 0 HB3 MET A 104 34.435 20.616 41.321 1.00 18.30 H new ATOM 0 HG2 MET A 104 33.893 20.857 39.013 1.00 22.37 H new ATOM 0 HG3 MET A 104 32.799 21.899 39.399 1.00 22.37 H new ATOM 0 HE1 MET A 104 36.812 21.807 40.396 1.00 23.37 H new ATOM 0 HE2 MET A 104 36.233 21.030 39.143 1.00 23.37 H new ATOM 0 HE3 MET A 104 37.057 22.366 38.935 1.00 23.37 H new ATOM 1327 N LEU A 105 32.090 18.811 39.028 1.00 15.50 N ATOM 1328 CA LEU A 105 32.118 17.931 37.832 1.00 10.21 C ATOM 1329 C LEU A 105 32.603 18.813 36.678 1.00 10.23 C ATOM 1330 O LEU A 105 32.216 19.970 36.577 1.00 7.42 O ATOM 1331 CB LEU A 105 30.674 17.411 37.510 1.00 9.02 C ATOM 1332 CG LEU A 105 30.229 16.265 38.469 1.00 12.26 C ATOM 1333 CD1 LEU A 105 28.758 15.802 38.251 1.00 11.84 C ATOM 1334 CD2 LEU A 105 31.092 15.054 38.211 1.00 12.05 C ATOM 0 H LEU A 105 31.534 19.461 38.943 1.00 15.50 H new ATOM 0 HA LEU A 105 32.691 17.161 37.973 1.00 10.21 H new ATOM 0 HB2 LEU A 105 30.046 18.147 37.576 1.00 9.02 H new ATOM 0 HB3 LEU A 105 30.644 17.093 36.594 1.00 9.02 H new ATOM 0 HG LEU A 105 30.314 16.619 39.368 1.00 12.26 H new ATOM 0 HD11 LEU A 105 28.546 15.091 38.876 1.00 11.84 H new ATOM 0 HD12 LEU A 105 28.158 16.550 38.397 1.00 11.84 H new ATOM 0 HD13 LEU A 105 28.652 15.476 37.344 1.00 11.84 H new ATOM 0 HD21 LEU A 105 30.824 14.334 38.803 1.00 12.05 H new ATOM 0 HD22 LEU A 105 30.986 14.771 37.289 1.00 12.05 H new ATOM 0 HD23 LEU A 105 32.021 15.278 38.375 1.00 12.05 H new ATOM 1346 N ILE A 106 33.423 18.237 35.855 1.00 10.75 N ATOM 1347 CA ILE A 106 33.970 18.974 34.700 1.00 10.26 C ATOM 1348 C ILE A 106 33.623 18.117 33.509 1.00 8.77 C ATOM 1349 O ILE A 106 33.801 16.915 33.607 1.00 14.64 O ATOM 1350 CB ILE A 106 35.509 19.093 34.858 1.00 9.86 C ATOM 1351 CG1 ILE A 106 35.853 19.920 36.128 1.00 12.64 C ATOM 1352 CG2 ILE A 106 36.140 19.805 33.646 1.00 14.61 C ATOM 1353 CD1 ILE A 106 37.346 19.775 36.460 1.00 14.37 C ATOM 0 H ILE A 106 33.691 17.423 35.925 1.00 10.75 H new ATOM 0 HA ILE A 106 33.616 19.873 34.614 1.00 10.26 H new ATOM 0 HB ILE A 106 35.863 18.193 34.928 1.00 9.86 H new ATOM 0 HG12 ILE A 106 35.635 20.854 35.984 1.00 12.64 H new ATOM 0 HG13 ILE A 106 35.316 19.616 36.877 1.00 12.64 H new ATOM 0 HG21 ILE A 106 37.100 19.866 33.770 1.00 14.61 H new ATOM 0 HG22 ILE A 106 35.950 19.301 32.839 1.00 14.61 H new ATOM 0 HG23 ILE A 106 35.768 20.697 33.565 1.00 14.61 H new ATOM 0 HD11 ILE A 106 37.553 20.294 37.253 1.00 14.37 H new ATOM 0 HD12 ILE A 106 37.553 18.841 36.622 1.00 14.37 H new ATOM 0 HD13 ILE A 106 37.876 20.099 35.715 1.00 14.37 H new ATOM 1365 N LYS A 107 33.159 18.707 32.456 1.00 16.47 N ATOM 1366 CA LYS A 107 32.816 17.894 31.269 1.00 16.99 C ATOM 1367 C LYS A 107 33.946 18.250 30.293 1.00 20.87 C ATOM 1368 O LYS A 107 34.395 19.383 30.277 1.00 19.74 O ATOM 1369 CB LYS A 107 31.471 18.314 30.634 1.00 19.47 C ATOM 1370 CG LYS A 107 31.120 17.328 29.495 1.00 16.71 C ATOM 1371 CD LYS A 107 29.790 17.721 28.850 1.00 19.48 C ATOM 1372 CE LYS A 107 29.262 16.514 28.009 1.00 21.37 C ATOM 1373 NZ LYS A 107 27.983 16.849 27.319 1.00 27.09 N ATOM 0 H LYS A 107 33.027 19.553 32.378 1.00 16.47 H new ATOM 0 HA LYS A 107 32.729 16.953 31.487 1.00 16.99 H new ATOM 0 HB2 LYS A 107 30.770 18.314 31.304 1.00 19.47 H new ATOM 0 HB3 LYS A 107 31.532 19.218 30.287 1.00 19.47 H new ATOM 0 HG2 LYS A 107 31.824 17.330 28.828 1.00 16.71 H new ATOM 0 HG3 LYS A 107 31.063 16.425 29.845 1.00 16.71 H new ATOM 0 HD2 LYS A 107 29.144 17.963 29.532 1.00 19.48 H new ATOM 0 HD3 LYS A 107 29.909 18.499 28.283 1.00 19.48 H new ATOM 0 HE2 LYS A 107 29.929 16.259 27.352 1.00 21.37 H new ATOM 0 HE3 LYS A 107 29.128 15.748 28.589 1.00 21.37 H new ATOM 0 HZ1 LYS A 107 27.595 16.101 27.032 1.00 27.09 H new ATOM 0 HZ2 LYS A 107 27.439 17.266 27.887 1.00 27.09 H new ATOM 0 HZ3 LYS A 107 28.150 17.381 26.625 1.00 27.09 H new ATOM 1387 N LEU A 108 34.357 17.289 29.504 1.00 17.56 N ATOM 1388 CA LEU A 108 35.450 17.496 28.517 1.00 16.52 C ATOM 1389 C LEU A 108 34.847 17.945 27.201 1.00 13.67 C ATOM 1390 O LEU A 108 33.696 17.682 26.894 1.00 19.16 O ATOM 1391 CB LEU A 108 36.229 16.168 28.248 1.00 17.98 C ATOM 1392 CG LEU A 108 36.857 15.505 29.539 1.00 20.05 C ATOM 1393 CD1 LEU A 108 37.568 14.217 29.125 1.00 22.96 C ATOM 1394 CD2 LEU A 108 37.913 16.401 30.168 1.00 21.75 C ATOM 0 H LEU A 108 34.028 16.494 29.506 1.00 17.56 H new ATOM 0 HA LEU A 108 36.058 18.160 28.878 1.00 16.52 H new ATOM 0 HB2 LEU A 108 35.627 15.532 27.831 1.00 17.98 H new ATOM 0 HB3 LEU A 108 36.939 16.346 27.611 1.00 17.98 H new ATOM 0 HG LEU A 108 36.140 15.349 30.173 1.00 20.05 H new ATOM 0 HD11 LEU A 108 37.959 13.797 29.907 1.00 22.96 H new ATOM 0 HD12 LEU A 108 36.929 13.611 28.719 1.00 22.96 H new ATOM 0 HD13 LEU A 108 38.268 14.424 28.486 1.00 22.96 H new ATOM 0 HD21 LEU A 108 38.278 15.968 30.955 1.00 21.75 H new ATOM 0 HD22 LEU A 108 38.624 16.561 29.528 1.00 21.75 H new ATOM 0 HD23 LEU A 108 37.511 17.246 30.422 1.00 21.75 H new ATOM 1406 N LYS A 109 35.643 18.614 26.429 1.00 12.87 N ATOM 1407 CA LYS A 109 35.147 19.093 25.119 1.00 15.84 C ATOM 1408 C LYS A 109 35.073 17.895 24.150 1.00 21.16 C ATOM 1409 O LYS A 109 34.237 17.866 23.257 1.00 18.70 O ATOM 1410 CB LYS A 109 36.108 20.174 24.586 1.00 20.89 C ATOM 1411 CG LYS A 109 35.643 21.577 25.014 0.24 22.47 C ATOM 1412 CD LYS A 109 36.365 22.651 24.160 0.24 25.53 C ATOM 1413 CE LYS A 109 36.089 22.430 22.643 0.24 27.46 C ATOM 1414 NZ LYS A 109 36.570 23.594 21.854 0.24 26.16 N ATOM 0 H LYS A 109 36.460 18.813 26.612 1.00 12.87 H new ATOM 0 HA LYS A 109 34.262 19.481 25.206 1.00 15.84 H new ATOM 0 HB2 LYS A 109 37.004 20.010 24.920 1.00 20.89 H new ATOM 0 HB3 LYS A 109 36.153 20.125 23.618 1.00 20.89 H new ATOM 0 HG2 LYS A 109 34.682 21.656 24.904 0.24 22.47 H new ATOM 0 HG3 LYS A 109 35.834 21.717 25.955 0.24 22.47 H new ATOM 0 HD2 LYS A 109 36.064 23.535 24.422 0.24 25.53 H new ATOM 0 HD3 LYS A 109 37.320 22.615 24.328 0.24 25.53 H new ATOM 0 HE2 LYS A 109 36.533 21.622 22.342 0.24 27.46 H new ATOM 0 HE3 LYS A 109 35.139 22.303 22.496 0.24 27.46 H new ATOM 0 HZ1 LYS A 109 36.407 23.455 20.990 0.24 26.16 H new ATOM 0 HZ2 LYS A 109 36.146 24.330 22.121 0.24 26.16 H new ATOM 0 HZ3 LYS A 109 37.446 23.695 21.977 0.24 26.16 H new ATOM 1428 N SER A 110 35.941 16.944 24.320 1.00 20.62 N ATOM 1429 CA SER A 110 35.939 15.736 23.436 1.00 21.96 C ATOM 1430 C SER A 110 36.083 14.600 24.429 1.00 20.11 C ATOM 1431 O SER A 110 36.621 14.813 25.499 1.00 19.90 O ATOM 1432 CB ASER A 110 37.139 15.786 22.518 0.67 22.52 C ATOM 1433 CB BSER A 110 37.135 15.733 22.495 0.73 21.92 C ATOM 1434 OG ASER A 110 36.968 17.025 21.831 0.67 27.57 O ATOM 1435 OG BSER A 110 36.805 14.748 21.519 0.73 25.36 O ATOM 0 H SER A 110 36.550 16.945 24.927 1.00 20.62 H new ATOM 0 HA SER A 110 35.153 15.656 22.873 1.00 21.96 H new ATOM 0 HB2ASER A 110 37.972 15.763 23.015 0.67 21.92 H new ATOM 0 HB2BSER A 110 37.270 16.604 22.089 0.73 21.92 H new ATOM 0 HB3ASER A 110 37.153 15.035 21.905 0.67 21.92 H new ATOM 0 HB3BSER A 110 37.954 15.508 22.963 0.73 21.92 H new ATOM 0 HG ASER A 110 37.602 17.136 21.292 0.67 25.36 H new ATOM 0 HG BSER A 110 37.427 14.691 20.957 0.73 25.36 H new ATOM 1444 N ALA A 111 35.634 13.447 24.059 1.00 16.20 N ATOM 1445 CA ALA A 111 35.744 12.313 24.985 1.00 19.46 C ATOM 1446 C ALA A 111 37.189 11.838 24.878 1.00 19.23 C ATOM 1447 O ALA A 111 37.785 11.831 23.813 1.00 21.84 O ATOM 1448 CB ALA A 111 34.804 11.199 24.543 1.00 19.22 C ATOM 0 H ALA A 111 35.266 13.276 23.301 1.00 16.20 H new ATOM 0 HA ALA A 111 35.510 12.561 25.893 1.00 19.46 H new ATOM 0 HB1 ALA A 111 34.878 10.451 25.156 1.00 19.22 H new ATOM 0 HB2 ALA A 111 33.891 11.527 24.542 1.00 19.22 H new ATOM 0 HB3 ALA A 111 35.043 10.909 23.649 1.00 19.22 H new ATOM 1454 N ALA A 112 37.697 11.448 25.997 1.00 19.70 N ATOM 1455 CA ALA A 112 39.089 10.948 26.067 1.00 20.50 C ATOM 1456 C ALA A 112 39.135 9.556 25.441 1.00 19.16 C ATOM 1457 O ALA A 112 38.113 8.904 25.326 1.00 17.49 O ATOM 1458 CB ALA A 112 39.503 10.825 27.529 1.00 19.93 C ATOM 0 H ALA A 112 37.278 11.452 26.748 1.00 19.70 H new ATOM 0 HA ALA A 112 39.683 11.557 25.600 1.00 20.50 H new ATOM 0 HB1 ALA A 112 40.415 10.498 27.581 1.00 19.93 H new ATOM 0 HB2 ALA A 112 39.447 11.694 27.956 1.00 19.93 H new ATOM 0 HB3 ALA A 112 38.911 10.205 27.982 1.00 19.93 H new ATOM 1464 N SER A 113 40.300 9.116 25.070 1.00 19.74 N ATOM 1465 CA SER A 113 40.411 7.745 24.462 1.00 23.13 C ATOM 1466 C SER A 113 40.909 6.992 25.681 1.00 22.89 C ATOM 1467 O SER A 113 41.930 7.366 26.227 1.00 20.26 O ATOM 1468 CB SER A 113 41.462 7.718 23.382 1.00 24.79 C ATOM 1469 OG SER A 113 40.988 8.702 22.466 1.00 29.56 O ATOM 0 H SER A 113 41.039 9.550 25.142 1.00 19.74 H new ATOM 0 HA SER A 113 39.603 7.408 24.045 1.00 23.13 H new ATOM 0 HB2 SER A 113 42.341 7.940 23.728 1.00 24.79 H new ATOM 0 HB3 SER A 113 41.532 6.843 22.968 1.00 24.79 H new ATOM 0 HG SER A 113 41.519 8.761 21.818 1.00 29.56 H new ATOM 1475 N LEU A 114 40.230 5.972 26.089 1.00 22.57 N ATOM 1476 CA LEU A 114 40.719 5.255 27.292 1.00 23.10 C ATOM 1477 C LEU A 114 41.580 4.114 26.855 1.00 25.64 C ATOM 1478 O LEU A 114 41.279 3.488 25.861 1.00 25.05 O ATOM 1479 CB LEU A 114 39.577 4.667 28.083 1.00 23.81 C ATOM 1480 CG LEU A 114 38.512 5.692 28.430 1.00 24.29 C ATOM 1481 CD1 LEU A 114 37.449 4.945 29.225 1.00 26.51 C ATOM 1482 CD2 LEU A 114 39.062 6.811 29.277 1.00 24.45 C ATOM 0 H LEU A 114 39.513 5.664 25.727 1.00 22.57 H new ATOM 0 HA LEU A 114 41.204 5.891 27.841 1.00 23.10 H new ATOM 0 HB2 LEU A 114 39.173 3.947 27.574 1.00 23.81 H new ATOM 0 HB3 LEU A 114 39.923 4.277 28.901 1.00 23.81 H new ATOM 0 HG LEU A 114 38.163 6.093 27.619 1.00 24.29 H new ATOM 0 HD11 LEU A 114 36.740 5.558 29.474 1.00 26.51 H new ATOM 0 HD12 LEU A 114 37.082 4.230 28.682 1.00 26.51 H new ATOM 0 HD13 LEU A 114 37.847 4.570 30.026 1.00 26.51 H new ATOM 0 HD21 LEU A 114 38.354 7.443 29.477 1.00 24.45 H new ATOM 0 HD22 LEU A 114 39.414 6.448 30.105 1.00 24.45 H new ATOM 0 HD23 LEU A 114 39.772 7.263 28.795 1.00 24.45 H new ATOM 1494 N ASN A 115 42.615 3.881 27.609 1.00 27.46 N ATOM 1495 CA ASN A 115 43.584 2.785 27.343 1.00 26.31 C ATOM 1496 C ASN A 115 44.160 2.357 28.689 1.00 29.19 C ATOM 1497 O ASN A 115 43.563 2.592 29.728 1.00 22.85 O ATOM 1498 CB ASN A 115 44.700 3.279 26.367 1.00 26.50 C ATOM 1499 CG ASN A 115 45.386 4.555 26.808 1.00 26.93 C ATOM 1500 OD1 ASN A 115 45.993 4.612 27.863 1.00 23.09 O ATOM 1501 ND2 ASN A 115 45.315 5.592 26.025 1.00 27.70 N ATOM 0 H ASN A 115 42.803 4.346 28.308 1.00 27.46 H new ATOM 0 HA ASN A 115 43.153 2.028 26.915 1.00 26.31 H new ATOM 0 HB2 ASN A 115 45.367 2.581 26.273 1.00 26.50 H new ATOM 0 HB3 ASN A 115 44.310 3.419 25.490 1.00 26.50 H new ATOM 0 HD21 ASN A 115 45.699 6.328 26.250 1.00 27.70 H new ATOM 0 HD22 ASN A 115 44.884 5.541 25.282 1.00 27.70 H new ATOM 1508 N SER A 116 45.294 1.738 28.646 1.00 31.97 N ATOM 1509 CA SER A 116 45.985 1.249 29.875 1.00 33.05 C ATOM 1510 C SER A 116 46.461 2.355 30.810 1.00 31.89 C ATOM 1511 O SER A 116 46.490 2.191 32.025 1.00 29.94 O ATOM 1512 CB SER A 116 47.212 0.444 29.463 1.00 32.28 C ATOM 1513 OG SER A 116 46.899 -0.098 28.177 1.00 36.72 O ATOM 0 H SER A 116 45.717 1.571 27.916 1.00 31.97 H new ATOM 0 HA SER A 116 45.329 0.722 30.357 1.00 33.05 H new ATOM 0 HB2 SER A 116 48.001 1.006 29.422 1.00 32.28 H new ATOM 0 HB3 SER A 116 47.399 -0.261 30.103 1.00 32.28 H new ATOM 0 HG SER A 116 47.283 0.353 27.582 1.00 36.72 H new ATOM 1519 N ARG A 117 46.817 3.431 30.155 1.00 29.03 N ATOM 1520 CA ARG A 117 47.342 4.645 30.832 1.00 28.81 C ATOM 1521 C ARG A 117 46.288 5.692 31.215 1.00 26.36 C ATOM 1522 O ARG A 117 46.578 6.504 32.073 1.00 23.73 O ATOM 1523 CB ARG A 117 48.404 5.215 29.884 1.00 26.47 C ATOM 1524 CG ARG A 117 49.446 4.053 29.658 1.00 27.78 C ATOM 1525 CD ARG A 117 50.700 4.492 28.868 0.25 27.27 C ATOM 1526 NE ARG A 117 51.649 3.329 28.858 0.25 26.82 N ATOM 1527 CZ ARG A 117 52.835 3.373 29.423 0.25 27.73 C ATOM 1528 NH1 ARG A 117 53.235 4.419 30.096 0.25 27.38 N ATOM 1529 NH2 ARG A 117 53.610 2.333 29.293 0.25 27.74 N ATOM 0 H ARG A 117 46.770 3.502 29.299 1.00 29.03 H new ATOM 0 HA ARG A 117 47.707 4.396 31.696 1.00 28.81 H new ATOM 0 HB2 ARG A 117 48.007 5.495 29.044 1.00 26.47 H new ATOM 0 HB3 ARG A 117 48.832 5.996 30.269 1.00 26.47 H new ATOM 0 HG2 ARG A 117 49.722 3.704 30.520 1.00 27.78 H new ATOM 0 HG3 ARG A 117 49.012 3.327 29.184 1.00 27.78 H new ATOM 0 HD2 ARG A 117 50.462 4.747 27.963 0.25 27.27 H new ATOM 0 HD3 ARG A 117 51.112 5.266 29.282 0.25 27.27 H new ATOM 0 HE ARG A 117 51.406 2.603 28.466 0.25 26.82 H new ATOM 0 HH11 ARG A 117 52.718 5.101 30.178 0.25 27.38 H new ATOM 0 HH12 ARG A 117 54.015 4.425 30.457 0.25 27.38 H new ATOM 0 HH21 ARG A 117 53.340 1.648 28.849 0.25 27.74 H new ATOM 0 HH22 ARG A 117 54.392 2.332 29.651 0.25 27.74 H new ATOM 1543 N VAL A 118 45.153 5.640 30.576 1.00 22.38 N ATOM 1544 CA VAL A 118 44.027 6.576 30.840 1.00 19.66 C ATOM 1545 C VAL A 118 42.831 5.631 31.103 1.00 20.62 C ATOM 1546 O VAL A 118 42.400 4.963 30.171 1.00 22.27 O ATOM 1547 CB VAL A 118 43.827 7.456 29.569 1.00 16.39 C ATOM 1548 CG1 VAL A 118 42.669 8.449 29.734 1.00 12.99 C ATOM 1549 CG2 VAL A 118 45.145 8.206 29.250 1.00 20.49 C ATOM 0 H VAL A 118 44.985 5.062 29.962 1.00 22.38 H new ATOM 0 HA VAL A 118 44.158 7.186 31.583 1.00 19.66 H new ATOM 0 HB VAL A 118 43.596 6.872 28.830 1.00 16.39 H new ATOM 0 HG11 VAL A 118 42.577 8.976 28.925 1.00 12.99 H new ATOM 0 HG12 VAL A 118 41.846 7.962 29.898 1.00 12.99 H new ATOM 0 HG13 VAL A 118 42.851 9.037 30.484 1.00 12.99 H new ATOM 0 HG21 VAL A 118 45.022 8.754 28.459 1.00 20.49 H new ATOM 0 HG22 VAL A 118 45.386 8.771 30.001 1.00 20.49 H new ATOM 0 HG23 VAL A 118 45.853 7.563 29.090 1.00 20.49 H new ATOM 1559 N ALA A 119 42.327 5.562 32.306 1.00 20.33 N ATOM 1560 CA ALA A 119 41.167 4.665 32.591 1.00 19.11 C ATOM 1561 C ALA A 119 40.239 5.409 33.549 1.00 18.97 C ATOM 1562 O ALA A 119 40.721 6.303 34.215 1.00 15.09 O ATOM 1563 CB ALA A 119 41.692 3.361 33.217 1.00 17.72 C ATOM 0 H ALA A 119 42.616 6.008 32.982 1.00 20.33 H new ATOM 0 HA ALA A 119 40.679 4.435 31.785 1.00 19.11 H new ATOM 0 HB1 ALA A 119 40.947 2.770 33.407 1.00 17.72 H new ATOM 0 HB2 ALA A 119 42.299 2.926 32.598 1.00 17.72 H new ATOM 0 HB3 ALA A 119 42.161 3.564 34.041 1.00 17.72 H new ATOM 1569 N SER A 120 38.980 5.060 33.627 1.00 18.76 N ATOM 1570 CA SER A 120 38.054 5.768 34.551 1.00 19.30 C ATOM 1571 C SER A 120 38.020 4.962 35.843 1.00 19.57 C ATOM 1572 O SER A 120 38.420 3.804 35.860 1.00 15.55 O ATOM 1573 CB SER A 120 36.681 5.839 33.883 1.00 22.48 C ATOM 1574 OG SER A 120 36.474 4.555 33.308 1.00 22.99 O ATOM 0 H SER A 120 38.621 4.426 33.169 1.00 18.76 H new ATOM 0 HA SER A 120 38.336 6.675 34.750 1.00 19.30 H new ATOM 0 HB2 SER A 120 35.988 6.049 34.529 1.00 22.48 H new ATOM 0 HB3 SER A 120 36.657 6.533 33.206 1.00 22.48 H new ATOM 0 HG SER A 120 36.683 4.575 32.495 1.00 22.99 H new ATOM 1580 N ILE A 121 37.546 5.579 36.890 1.00 17.35 N ATOM 1581 CA ILE A 121 37.485 4.871 38.195 1.00 14.30 C ATOM 1582 C ILE A 121 35.999 4.706 38.460 1.00 12.21 C ATOM 1583 O ILE A 121 35.214 5.517 38.006 1.00 13.61 O ATOM 1584 CB ILE A 121 38.259 5.776 39.296 1.00 12.96 C ATOM 1585 CG1 ILE A 121 38.325 5.146 40.717 1.00 15.09 C ATOM 1586 CG2 ILE A 121 37.676 7.202 39.413 1.00 12.22 C ATOM 1587 CD1 ILE A 121 39.108 3.821 40.719 1.00 18.81 C ATOM 0 H ILE A 121 37.254 6.388 36.896 1.00 17.35 H new ATOM 0 HA ILE A 121 37.917 4.003 38.218 1.00 14.30 H new ATOM 0 HB ILE A 121 39.164 5.821 38.950 1.00 12.96 H new ATOM 0 HG12 ILE A 121 38.745 5.771 41.329 1.00 15.09 H new ATOM 0 HG13 ILE A 121 37.425 4.990 41.044 1.00 15.09 H new ATOM 0 HG21 ILE A 121 38.171 7.701 40.082 1.00 12.22 H new ATOM 0 HG22 ILE A 121 37.747 7.652 38.557 1.00 12.22 H new ATOM 0 HG23 ILE A 121 36.743 7.150 39.674 1.00 12.22 H new ATOM 0 HD11 ILE A 121 39.128 3.458 41.618 1.00 18.81 H new ATOM 0 HD12 ILE A 121 38.675 3.188 40.125 1.00 18.81 H new ATOM 0 HD13 ILE A 121 40.015 3.980 40.414 1.00 18.81 H new ATOM 1599 N SER A 122 35.655 3.687 39.187 1.00 14.47 N ATOM 1600 CA SER A 122 34.239 3.400 39.521 1.00 15.31 C ATOM 1601 C SER A 122 33.783 4.150 40.789 1.00 16.93 C ATOM 1602 O SER A 122 34.528 4.378 41.731 1.00 13.89 O ATOM 1603 CB SER A 122 34.103 1.877 39.731 1.00 18.43 C ATOM 1604 OG SER A 122 34.849 1.327 38.646 0.05 17.75 O ATOM 0 H SER A 122 36.216 3.124 39.515 1.00 14.47 H new ATOM 0 HA SER A 122 33.673 3.704 38.794 1.00 15.31 H new ATOM 0 HB2 SER A 122 34.462 1.601 40.589 1.00 18.43 H new ATOM 0 HB3 SER A 122 33.176 1.594 39.707 1.00 18.43 H new ATOM 0 HG SER A 122 34.827 0.488 38.687 0.05 17.75 H new ATOM 1610 N LEU A 123 32.523 4.488 40.749 1.00 14.06 N ATOM 1611 CA LEU A 123 31.897 5.215 41.860 1.00 17.18 C ATOM 1612 C LEU A 123 31.417 4.097 42.717 1.00 14.74 C ATOM 1613 O LEU A 123 31.129 3.041 42.188 1.00 16.74 O ATOM 1614 CB LEU A 123 30.685 6.027 41.404 1.00 18.69 C ATOM 1615 CG LEU A 123 31.078 7.289 40.528 1.00 18.82 C ATOM 1616 CD1 LEU A 123 29.741 8.028 40.226 1.00 18.37 C ATOM 1617 CD2 LEU A 123 32.009 8.259 41.329 1.00 19.02 C ATOM 0 H LEU A 123 31.996 4.313 40.092 1.00 14.06 H new ATOM 0 HA LEU A 123 32.503 5.844 42.282 1.00 17.18 H new ATOM 0 HB2 LEU A 123 30.093 5.455 40.891 1.00 18.69 H new ATOM 0 HB3 LEU A 123 30.188 6.322 42.183 1.00 18.69 H new ATOM 0 HG LEU A 123 31.549 7.014 39.726 1.00 18.82 H new ATOM 0 HD11 LEU A 123 29.920 8.815 39.688 1.00 18.37 H new ATOM 0 HD12 LEU A 123 29.146 7.435 39.742 1.00 18.37 H new ATOM 0 HD13 LEU A 123 29.323 8.295 41.060 1.00 18.37 H new ATOM 0 HD21 LEU A 123 32.236 9.022 40.774 1.00 19.02 H new ATOM 0 HD22 LEU A 123 31.549 8.565 42.126 1.00 19.02 H new ATOM 0 HD23 LEU A 123 32.820 7.792 41.584 1.00 19.02 H new ATOM 1629 N PRO A 124 31.348 4.368 43.992 1.00 17.69 N ATOM 1630 CA PRO A 124 31.016 3.342 45.016 1.00 23.24 C ATOM 1631 C PRO A 124 29.520 2.975 45.100 1.00 25.99 C ATOM 1632 O PRO A 124 28.681 3.773 44.728 1.00 24.29 O ATOM 1633 CB PRO A 124 31.539 3.961 46.325 1.00 23.33 C ATOM 1634 CG PRO A 124 31.253 5.490 46.097 1.00 19.26 C ATOM 1635 CD PRO A 124 31.605 5.716 44.609 1.00 19.55 C ATOM 0 HA PRO A 124 31.423 2.488 44.800 1.00 23.24 H new ATOM 0 HB2 PRO A 124 31.072 3.616 47.102 1.00 23.33 H new ATOM 0 HB3 PRO A 124 32.483 3.784 46.459 1.00 23.33 H new ATOM 0 HG2 PRO A 124 30.326 5.710 46.280 1.00 19.26 H new ATOM 0 HG3 PRO A 124 31.796 6.044 46.679 1.00 19.26 H new ATOM 0 HD2 PRO A 124 31.051 6.405 44.210 1.00 19.55 H new ATOM 0 HD3 PRO A 124 32.528 5.993 44.496 1.00 19.55 H new ATOM 1643 N THR A 125 29.250 1.796 45.600 1.00 30.94 N ATOM 1644 CA THR A 125 27.861 1.281 45.768 1.00 29.82 C ATOM 1645 C THR A 125 27.473 1.586 47.234 1.00 27.73 C ATOM 1646 O THR A 125 26.315 1.830 47.524 1.00 29.72 O ATOM 1647 CB THR A 125 27.884 -0.242 45.434 1.00 30.71 C ATOM 1648 OG1 THR A 125 29.135 -0.765 45.899 1.00 33.93 O ATOM 1649 CG2 THR A 125 27.943 -0.435 43.932 1.00 27.75 C ATOM 0 H THR A 125 29.857 1.246 45.862 1.00 30.94 H new ATOM 0 HA THR A 125 27.205 1.690 45.182 1.00 29.82 H new ATOM 0 HB THR A 125 27.104 -0.663 45.828 1.00 30.71 H new ATOM 0 HG1 THR A 125 29.174 -1.587 45.733 1.00 33.93 H new ATOM 0 HG21 THR A 125 27.957 -1.383 43.728 1.00 27.75 H new ATOM 0 HG22 THR A 125 27.164 -0.028 43.522 1.00 27.75 H new ATOM 0 HG23 THR A 125 28.746 -0.018 43.583 1.00 27.75 H new ATOM 1657 N SER A 127 28.431 1.548 48.119 1.00 26.42 N ATOM 1658 CA SER A 127 28.203 1.844 49.573 1.00 25.20 C ATOM 1659 C SER A 127 29.396 2.701 50.050 1.00 22.44 C ATOM 1660 O SER A 127 30.356 2.899 49.322 1.00 17.38 O ATOM 1661 CB SER A 127 28.139 0.531 50.384 1.00 26.18 C ATOM 1662 OG SER A 127 29.221 -0.273 49.903 1.00 31.09 O ATOM 0 H SER A 127 29.246 1.353 47.927 1.00 26.42 H new ATOM 0 HA SER A 127 27.363 2.312 49.701 1.00 25.20 H new ATOM 0 HB2 SER A 127 28.229 0.704 51.334 1.00 26.18 H new ATOM 0 HB3 SER A 127 27.288 0.083 50.256 1.00 26.18 H new ATOM 0 HG SER A 127 29.232 -1.004 50.316 1.00 31.09 H new ATOM 1668 N CYS A 128 29.319 3.175 51.253 1.00 18.69 N ATOM 1669 CA CYS A 128 30.430 4.006 51.774 1.00 21.51 C ATOM 1670 C CYS A 128 31.448 3.025 52.360 1.00 24.84 C ATOM 1671 O CYS A 128 31.060 1.898 52.596 1.00 29.61 O ATOM 1672 CB CYS A 128 29.851 4.937 52.833 1.00 24.33 C ATOM 1673 SG CYS A 128 28.599 6.114 52.272 1.00 19.90 S ATOM 0 H CYS A 128 28.663 3.049 51.795 1.00 18.69 H new ATOM 0 HA CYS A 128 30.861 4.555 51.100 1.00 21.51 H new ATOM 0 HB2 CYS A 128 29.463 4.393 53.536 1.00 24.33 H new ATOM 0 HB3 CYS A 128 30.581 5.437 53.231 1.00 24.33 H new ATOM 1678 N ALA A 129 32.676 3.451 52.591 1.00 23.12 N ATOM 1679 CA ALA A 129 33.689 2.505 53.158 1.00 19.72 C ATOM 1680 C ALA A 129 33.801 2.715 54.655 1.00 17.56 C ATOM 1681 O ALA A 129 33.548 3.804 55.116 1.00 13.32 O ATOM 1682 CB ALA A 129 35.072 2.760 52.534 1.00 22.68 C ATOM 0 H ALA A 129 32.959 4.249 52.441 1.00 23.12 H new ATOM 0 HA ALA A 129 33.402 1.599 52.961 1.00 19.72 H new ATOM 0 HB1 ALA A 129 35.716 2.141 52.911 1.00 22.68 H new ATOM 0 HB2 ALA A 129 35.023 2.631 51.574 1.00 22.68 H new ATOM 0 HB3 ALA A 129 35.350 3.670 52.723 1.00 22.68 H new ATOM 1688 N SER A 130 34.198 1.677 55.334 1.00 18.57 N ATOM 1689 CA SER A 130 34.377 1.648 56.808 1.00 18.04 C ATOM 1690 C SER A 130 35.726 2.197 57.239 1.00 19.50 C ATOM 1691 O SER A 130 36.687 2.206 56.495 1.00 22.37 O ATOM 1692 CB SER A 130 34.356 0.200 57.386 1.00 21.31 C ATOM 1693 OG SER A 130 33.826 -0.645 56.371 1.00 26.82 O ATOM 0 H SER A 130 34.385 0.926 54.959 1.00 18.57 H new ATOM 0 HA SER A 130 33.639 2.184 57.139 1.00 18.04 H new ATOM 0 HB2 SER A 130 35.250 -0.083 57.636 1.00 21.31 H new ATOM 0 HB3 SER A 130 33.811 0.158 58.187 1.00 21.31 H new ATOM 0 HG SER A 130 33.802 -1.437 56.650 1.00 26.82 H new ATOM 1699 N ALA A 132 35.753 2.613 58.471 1.00 17.70 N ATOM 1700 CA ALA A 132 36.988 3.172 59.060 1.00 19.71 C ATOM 1701 C ALA A 132 37.910 1.950 59.065 1.00 20.33 C ATOM 1702 O ALA A 132 37.449 0.824 59.200 1.00 21.49 O ATOM 1703 CB ALA A 132 36.691 3.695 60.542 1.00 20.13 C ATOM 0 H ALA A 132 35.079 2.591 59.004 1.00 17.70 H new ATOM 0 HA ALA A 132 37.362 3.931 58.585 1.00 19.71 H new ATOM 0 HB1 ALA A 132 37.504 4.061 60.925 1.00 20.13 H new ATOM 0 HB2 ALA A 132 36.009 4.384 60.512 1.00 20.13 H new ATOM 0 HB3 ALA A 132 36.380 2.957 61.089 1.00 20.13 H new ATOM 1709 N GLY A 133 39.177 2.162 58.916 1.00 20.13 N ATOM 1710 CA GLY A 133 40.084 0.974 58.924 1.00 23.20 C ATOM 1711 C GLY A 133 40.469 0.673 57.515 1.00 22.42 C ATOM 1712 O GLY A 133 41.574 0.232 57.262 1.00 29.01 O ATOM 0 H GLY A 133 39.553 2.928 58.812 1.00 20.13 H new ATOM 0 HA2 GLY A 133 40.873 1.154 59.459 1.00 23.20 H new ATOM 0 HA3 GLY A 133 39.638 0.211 59.323 1.00 23.20 H new ATOM 1716 N THR A 134 39.566 0.901 56.615 1.00 22.24 N ATOM 1717 CA THR A 134 39.889 0.627 55.196 1.00 22.90 C ATOM 1718 C THR A 134 41.081 1.505 54.707 1.00 23.01 C ATOM 1719 O THR A 134 41.114 2.701 54.926 1.00 20.43 O ATOM 1720 CB THR A 134 38.593 0.892 54.465 1.00 24.17 C ATOM 1721 OG1 THR A 134 37.644 0.029 55.110 1.00 22.40 O ATOM 1722 CG2 THR A 134 38.671 0.453 52.995 1.00 24.56 C ATOM 0 H THR A 134 38.776 1.204 56.767 1.00 22.24 H new ATOM 0 HA THR A 134 40.195 -0.280 55.038 1.00 22.90 H new ATOM 0 HB THR A 134 38.373 1.837 54.486 1.00 24.17 H new ATOM 0 HG1 THR A 134 37.165 0.480 55.632 1.00 22.40 H new ATOM 0 HG21 THR A 134 37.825 0.637 52.557 1.00 24.56 H new ATOM 0 HG22 THR A 134 39.379 0.942 52.548 1.00 24.56 H new ATOM 0 HG23 THR A 134 38.858 -0.498 52.951 1.00 24.56 H new ATOM 1730 N GLN A 135 42.011 0.861 54.060 1.00 22.01 N ATOM 1731 CA GLN A 135 43.227 1.539 53.515 1.00 25.75 C ATOM 1732 C GLN A 135 42.833 2.052 52.129 1.00 25.49 C ATOM 1733 O GLN A 135 42.131 1.363 51.405 1.00 27.59 O ATOM 1734 CB GLN A 135 44.428 0.538 53.317 1.00 27.25 C ATOM 1735 CG GLN A 135 44.998 -0.039 54.640 0.48 29.38 C ATOM 1736 CD GLN A 135 45.847 1.025 55.348 0.48 28.35 C ATOM 1737 OE1 GLN A 135 46.536 1.793 54.715 0.48 27.18 O ATOM 1738 NE2 GLN A 135 45.853 1.121 56.643 0.48 30.28 N ATOM 0 H GLN A 135 41.984 0.015 53.907 1.00 22.01 H new ATOM 0 HA GLN A 135 43.512 2.233 54.130 1.00 25.75 H new ATOM 0 HB2 GLN A 135 44.135 -0.196 52.755 1.00 27.25 H new ATOM 0 HB3 GLN A 135 45.140 0.993 52.841 1.00 27.25 H new ATOM 0 HG2 GLN A 135 44.272 -0.323 55.218 0.48 29.38 H new ATOM 0 HG3 GLN A 135 45.537 -0.824 54.455 0.48 29.38 H new ATOM 0 HE21 GLN A 135 45.372 0.587 57.116 0.48 30.28 H new ATOM 0 HE22 GLN A 135 46.338 1.718 57.028 0.48 30.28 H new ATOM 1747 N CYS A 136 43.305 3.218 51.809 1.00 22.43 N ATOM 1748 CA CYS A 136 43.007 3.856 50.496 1.00 23.45 C ATOM 1749 C CYS A 136 44.311 4.350 49.864 1.00 20.93 C ATOM 1750 O CYS A 136 45.348 4.336 50.503 1.00 22.12 O ATOM 1751 CB CYS A 136 42.084 5.030 50.753 1.00 25.25 C ATOM 1752 SG CYS A 136 40.586 4.679 51.676 1.00 19.14 S ATOM 0 H CYS A 136 43.810 3.687 52.324 1.00 22.43 H new ATOM 0 HA CYS A 136 42.588 3.223 49.892 1.00 23.45 H new ATOM 0 HB2 CYS A 136 42.583 5.710 51.231 1.00 25.25 H new ATOM 0 HB3 CYS A 136 41.832 5.412 49.898 1.00 25.25 H new ATOM 1757 N LEU A 137 44.228 4.786 48.637 1.00 18.23 N ATOM 1758 CA LEU A 137 45.409 5.298 47.922 1.00 14.76 C ATOM 1759 C LEU A 137 45.001 6.733 47.590 1.00 15.52 C ATOM 1760 O LEU A 137 43.890 6.970 47.133 1.00 16.55 O ATOM 1761 CB LEU A 137 45.638 4.482 46.638 1.00 17.78 C ATOM 1762 CG LEU A 137 46.840 5.084 45.804 1.00 18.88 C ATOM 1763 CD1 LEU A 137 48.177 4.967 46.553 1.00 19.68 C ATOM 1764 CD2 LEU A 137 46.970 4.288 44.507 1.00 20.78 C ATOM 0 H LEU A 137 43.500 4.802 48.180 1.00 18.23 H new ATOM 0 HA LEU A 137 46.234 5.243 48.430 1.00 14.76 H new ATOM 0 HB2 LEU A 137 45.826 3.558 46.865 1.00 17.78 H new ATOM 0 HB3 LEU A 137 44.831 4.483 46.100 1.00 17.78 H new ATOM 0 HG LEU A 137 46.653 6.022 45.645 1.00 18.88 H new ATOM 0 HD11 LEU A 137 48.886 5.346 46.010 1.00 19.68 H new ATOM 0 HD12 LEU A 137 48.121 5.449 47.393 1.00 19.68 H new ATOM 0 HD13 LEU A 137 48.369 4.033 46.729 1.00 19.68 H new ATOM 0 HD21 LEU A 137 47.704 4.643 43.981 1.00 20.78 H new ATOM 0 HD22 LEU A 137 47.143 3.356 44.715 1.00 20.78 H new ATOM 0 HD23 LEU A 137 46.146 4.358 44.000 1.00 20.78 H new ATOM 1776 N ILE A 138 45.899 7.633 47.818 1.00 11.90 N ATOM 1777 CA ILE A 138 45.633 9.065 47.543 1.00 12.13 C ATOM 1778 C ILE A 138 46.816 9.484 46.670 1.00 12.19 C ATOM 1779 O ILE A 138 47.922 9.023 46.883 1.00 14.03 O ATOM 1780 CB ILE A 138 45.588 9.818 48.911 1.00 15.03 C ATOM 1781 CG1 ILE A 138 44.644 9.069 49.882 1.00 14.41 C ATOM 1782 CG2 ILE A 138 45.036 11.223 48.642 1.00 19.39 C ATOM 1783 CD1 ILE A 138 44.671 9.679 51.304 1.00 10.75 C ATOM 0 H ILE A 138 46.682 7.467 48.133 1.00 11.90 H new ATOM 0 HA ILE A 138 44.793 9.256 47.097 1.00 12.13 H new ATOM 0 HB ILE A 138 46.471 9.865 49.309 1.00 15.03 H new ATOM 0 HG12 ILE A 138 43.738 9.097 49.536 1.00 14.41 H new ATOM 0 HG13 ILE A 138 44.902 8.135 49.927 1.00 14.41 H new ATOM 0 HG21 ILE A 138 44.995 11.719 49.474 1.00 19.39 H new ATOM 0 HG22 ILE A 138 45.618 11.686 48.019 1.00 19.39 H new ATOM 0 HG23 ILE A 138 44.146 11.154 48.263 1.00 19.39 H new ATOM 0 HD11 ILE A 138 44.068 9.183 51.880 1.00 10.75 H new ATOM 0 HD12 ILE A 138 45.572 9.630 51.660 1.00 10.75 H new ATOM 0 HD13 ILE A 138 44.390 10.606 51.264 1.00 10.75 H new ATOM 1795 N SER A 139 46.605 10.340 45.711 1.00 14.93 N ATOM 1796 CA SER A 139 47.763 10.739 44.854 1.00 13.18 C ATOM 1797 C SER A 139 47.673 12.140 44.310 1.00 14.65 C ATOM 1798 O SER A 139 46.589 12.698 44.245 1.00 16.89 O ATOM 1799 CB SER A 139 47.812 9.709 43.757 1.00 8.33 C ATOM 1800 OG SER A 139 46.483 9.630 43.205 1.00 11.34 O ATOM 0 H SER A 139 45.850 10.704 45.520 1.00 14.93 H new ATOM 0 HA SER A 139 48.578 10.760 45.379 1.00 13.18 H new ATOM 0 HB2 SER A 139 48.454 9.962 43.075 1.00 8.33 H new ATOM 0 HB3 SER A 139 48.092 8.848 44.105 1.00 8.33 H new ATOM 0 HG SER A 139 46.364 10.266 42.669 1.00 11.34 H new ATOM 1806 N GLY A 140 48.778 12.700 43.942 1.00 11.23 N ATOM 1807 CA GLY A 140 48.721 14.075 43.383 1.00 13.45 C ATOM 1808 C GLY A 140 50.094 14.637 43.248 1.00 8.90 C ATOM 1809 O GLY A 140 51.041 14.047 43.711 1.00 14.11 O ATOM 0 H GLY A 140 49.560 12.345 43.991 1.00 11.23 H new ATOM 0 HA2 GLY A 140 48.284 14.061 42.517 1.00 13.45 H new ATOM 0 HA3 GLY A 140 48.188 14.643 43.960 1.00 13.45 H new ATOM 1813 N TRP A 141 50.170 15.765 42.614 1.00 16.14 N ATOM 1814 CA TRP A 141 51.448 16.502 42.373 1.00 14.80 C ATOM 1815 C TRP A 141 51.478 17.687 43.361 1.00 14.39 C ATOM 1816 O TRP A 141 52.037 18.726 43.075 1.00 13.65 O ATOM 1817 CB TRP A 141 51.453 17.041 40.918 1.00 16.75 C ATOM 1818 CG TRP A 141 51.589 15.972 39.812 1.00 13.41 C ATOM 1819 CD1 TRP A 141 52.792 15.524 39.359 1.00 14.47 C ATOM 1820 CD2 TRP A 141 50.590 15.348 39.123 1.00 14.77 C ATOM 1821 NE1 TRP A 141 52.460 14.663 38.425 1.00 14.89 N ATOM 1822 CE2 TRP A 141 51.164 14.475 38.204 1.00 16.54 C ATOM 1823 CE3 TRP A 141 49.199 15.456 39.181 1.00 13.32 C ATOM 1824 CZ2 TRP A 141 50.346 13.722 37.352 1.00 14.71 C ATOM 1825 CZ3 TRP A 141 48.381 14.703 38.334 1.00 14.89 C ATOM 1826 CH2 TRP A 141 48.957 13.832 37.416 1.00 10.51 C ATOM 0 H TRP A 141 49.481 16.164 42.289 1.00 16.14 H new ATOM 0 HA TRP A 141 52.218 15.926 42.499 1.00 14.80 H new ATOM 0 HB2 TRP A 141 50.631 17.534 40.770 1.00 16.75 H new ATOM 0 HB3 TRP A 141 52.183 17.673 40.827 1.00 16.75 H new ATOM 0 HD1 TRP A 141 53.643 15.769 39.643 1.00 14.47 H new ATOM 0 HE1 TRP A 141 53.057 14.238 37.975 1.00 14.89 H new ATOM 0 HE3 TRP A 141 48.811 16.038 39.793 1.00 13.32 H new ATOM 0 HZ2 TRP A 141 50.733 13.142 36.737 1.00 14.71 H new ATOM 0 HZ3 TRP A 141 47.456 14.784 38.384 1.00 14.89 H new ATOM 0 HH2 TRP A 141 48.420 13.327 36.849 1.00 10.51 H new ATOM 1837 N GLY A 142 50.891 17.490 44.508 1.00 17.17 N ATOM 1838 CA GLY A 142 50.864 18.599 45.521 1.00 20.36 C ATOM 1839 C GLY A 142 52.124 18.675 46.377 1.00 19.39 C ATOM 1840 O GLY A 142 52.956 17.784 46.281 1.00 17.41 O ATOM 0 H GLY A 142 50.505 16.760 44.747 1.00 17.17 H new ATOM 0 HA2 GLY A 142 50.743 19.444 45.061 1.00 20.36 H new ATOM 0 HA3 GLY A 142 50.095 18.479 46.100 1.00 20.36 H new ATOM 1844 N ASN A 143 52.189 19.715 47.167 1.00 18.62 N ATOM 1845 CA ASN A 143 53.371 19.934 48.049 1.00 17.97 C ATOM 1846 C ASN A 143 53.753 18.654 48.793 1.00 21.85 C ATOM 1847 O ASN A 143 52.884 17.861 49.150 1.00 16.07 O ATOM 1848 CB ASN A 143 53.024 21.076 49.026 1.00 20.42 C ATOM 1849 CG ASN A 143 54.279 21.550 49.770 1.00 24.22 C ATOM 1850 OD1 ASN A 143 55.408 21.305 49.378 1.00 24.69 O ATOM 1851 ND2 ASN A 143 54.151 22.246 50.855 1.00 25.76 N ATOM 0 H ASN A 143 51.578 20.317 47.227 1.00 18.62 H new ATOM 0 HA ASN A 143 54.144 20.179 47.517 1.00 17.97 H new ATOM 0 HB2 ASN A 143 52.632 21.817 48.539 1.00 20.42 H new ATOM 0 HB3 ASN A 143 52.359 20.772 49.664 1.00 20.42 H new ATOM 0 HD21 ASN A 143 54.850 22.520 51.275 1.00 25.76 H new ATOM 0 HD22 ASN A 143 53.367 22.434 51.155 1.00 25.76 H new ATOM 1858 N THR A 144 55.034 18.501 48.992 1.00 21.08 N ATOM 1859 CA THR A 144 55.598 17.312 49.701 1.00 24.72 C ATOM 1860 C THR A 144 56.356 17.668 50.985 1.00 23.59 C ATOM 1861 O THR A 144 56.957 16.773 51.544 1.00 24.02 O ATOM 1862 CB THR A 144 56.595 16.537 48.762 1.00 24.17 C ATOM 1863 OG1 THR A 144 57.651 17.432 48.403 1.00 27.37 O ATOM 1864 CG2 THR A 144 55.976 16.100 47.407 1.00 20.88 C ATOM 0 H THR A 144 55.627 19.067 48.731 1.00 21.08 H new ATOM 0 HA THR A 144 54.832 16.766 49.939 1.00 24.72 H new ATOM 0 HB THR A 144 56.871 15.750 49.258 1.00 24.17 H new ATOM 0 HG1 THR A 144 57.332 18.090 47.989 1.00 27.37 H new ATOM 0 HG21 THR A 144 56.643 15.631 46.883 1.00 20.88 H new ATOM 0 HG22 THR A 144 55.222 15.512 47.570 1.00 20.88 H new ATOM 0 HG23 THR A 144 55.676 16.884 46.921 1.00 20.88 H new ATOM 1872 N LYS A 145 56.332 18.897 51.415 1.00 26.90 N ATOM 1873 CA LYS A 145 57.059 19.301 52.661 1.00 31.21 C ATOM 1874 C LYS A 145 56.028 19.829 53.646 1.00 33.65 C ATOM 1875 O LYS A 145 55.236 20.652 53.241 1.00 36.70 O ATOM 1876 CB LYS A 145 58.068 20.405 52.298 1.00 33.40 C ATOM 1877 CG LYS A 145 59.176 19.839 51.363 1.00 32.66 C ATOM 1878 CD LYS A 145 60.153 18.924 52.162 0.37 34.20 C ATOM 1879 CE LYS A 145 61.071 18.131 51.208 0.37 33.81 C ATOM 1880 NZ LYS A 145 60.298 17.015 50.586 0.37 34.87 N ATOM 0 H LYS A 145 55.910 19.537 51.024 1.00 26.90 H new ATOM 0 HA LYS A 145 57.536 18.554 53.055 1.00 31.21 H new ATOM 0 HB2 LYS A 145 57.610 21.139 51.859 1.00 33.40 H new ATOM 0 HB3 LYS A 145 58.469 20.763 53.105 1.00 33.40 H new ATOM 0 HG2 LYS A 145 58.770 19.335 50.641 1.00 32.66 H new ATOM 0 HG3 LYS A 145 59.668 20.570 50.957 1.00 32.66 H new ATOM 0 HD2 LYS A 145 60.692 19.465 52.760 0.37 34.20 H new ATOM 0 HD3 LYS A 145 59.646 18.309 52.715 0.37 34.20 H new ATOM 0 HE2 LYS A 145 61.422 18.717 50.520 0.37 33.81 H new ATOM 0 HE3 LYS A 145 61.832 17.778 51.695 0.37 33.81 H new ATOM 0 HZ1 LYS A 145 60.849 16.498 50.116 0.37 34.87 H new ATOM 0 HZ2 LYS A 145 59.909 16.531 51.224 0.37 34.87 H new ATOM 0 HZ3 LYS A 145 59.674 17.350 50.047 0.37 34.87 H new ATOM 1894 N SER A 146 56.043 19.386 54.873 0.57 36.67 N ATOM 1895 CA SER A 146 55.039 19.890 55.864 0.57 37.87 C ATOM 1896 C SER A 146 55.394 21.334 56.213 0.53 39.30 C ATOM 1897 O SER A 146 54.554 22.214 56.291 0.53 39.57 O ATOM 1898 CB SER A 146 55.086 19.029 57.157 0.57 37.92 C ATOM 1899 OG SER A 146 56.126 18.061 56.950 0.57 39.72 O ATOM 0 H SER A 146 56.600 18.806 55.179 0.57 36.67 H new ATOM 0 HA SER A 146 54.148 19.838 55.483 0.57 37.87 H new ATOM 0 HB2 SER A 146 55.273 19.579 57.934 0.57 37.92 H new ATOM 0 HB3 SER A 146 54.234 18.594 57.316 0.57 37.92 H new ATOM 0 HG SER A 146 56.872 18.414 57.106 0.57 39.72 H new ATOM 1905 N SER A 147 56.662 21.485 56.427 0.22 38.01 N ATOM 1906 CA SER A 147 57.236 22.795 56.778 1.00 38.29 C ATOM 1907 C SER A 147 58.130 23.138 55.580 1.00 40.11 C ATOM 1908 O SER A 147 59.306 22.826 55.576 0.22 37.89 O ATOM 1909 CB SER A 147 58.066 22.655 58.064 0.22 36.91 C ATOM 1910 OG SER A 147 57.192 21.965 58.959 0.22 36.43 O ATOM 0 H SER A 147 57.236 20.847 56.379 0.22 38.01 H new ATOM 0 HA SER A 147 56.571 23.482 56.944 1.00 38.29 H new ATOM 0 HB2 SER A 147 58.883 22.156 57.908 0.22 36.91 H new ATOM 0 HB3 SER A 147 58.326 23.521 58.416 0.22 36.91 H new ATOM 0 HG SER A 147 57.580 21.848 59.695 0.22 36.43 H new ATOM 1916 N GLY A 148 57.578 23.753 54.580 0.32 36.92 N ATOM 1917 CA GLY A 148 58.425 24.099 53.406 0.32 35.97 C ATOM 1918 C GLY A 148 57.610 23.986 52.144 0.32 33.58 C ATOM 1919 O GLY A 148 56.419 23.734 52.172 0.32 32.97 O ATOM 0 H GLY A 148 56.751 23.985 54.529 0.32 36.92 H new ATOM 0 HA2 GLY A 148 58.770 25.001 53.499 0.32 35.97 H new ATOM 0 HA3 GLY A 148 59.191 23.505 53.362 0.32 35.97 H new ATOM 1923 N THR A 149 58.263 24.195 51.052 0.75 32.47 N ATOM 1924 CA THR A 149 57.585 24.119 49.742 0.75 34.01 C ATOM 1925 C THR A 149 58.463 23.303 48.777 0.75 32.94 C ATOM 1926 O THR A 149 59.573 23.697 48.469 0.75 33.32 O ATOM 1927 CB THR A 149 57.378 25.601 49.336 0.75 34.64 C ATOM 1928 OG1 THR A 149 56.602 26.175 50.390 0.75 35.87 O ATOM 1929 CG2 THR A 149 56.478 25.822 48.143 0.75 35.12 C ATOM 0 H THR A 149 59.101 24.384 51.015 0.75 32.47 H new ATOM 0 HA THR A 149 56.729 23.663 49.744 0.75 34.01 H new ATOM 0 HB THR A 149 58.260 25.959 49.152 0.75 34.64 H new ATOM 0 HG1 THR A 149 56.459 26.986 50.223 0.75 35.87 H new ATOM 0 HG21 THR A 149 56.407 26.772 47.963 0.75 35.12 H new ATOM 0 HG22 THR A 149 56.851 25.374 47.368 0.75 35.12 H new ATOM 0 HG23 THR A 149 55.597 25.462 48.331 0.75 35.12 H new ATOM 1937 N SER A 150 57.980 22.188 48.330 1.00 30.17 N ATOM 1938 CA SER A 150 58.766 21.374 47.400 1.00 30.81 C ATOM 1939 C SER A 150 57.645 20.760 46.563 1.00 29.30 C ATOM 1940 O SER A 150 56.835 20.004 47.066 1.00 29.13 O ATOM 1941 CB SER A 150 59.543 20.352 48.215 1.00 31.69 C ATOM 1942 OG SER A 150 60.572 19.815 47.393 1.00 35.76 O ATOM 0 H SER A 150 57.209 21.868 48.537 1.00 30.17 H new ATOM 0 HA SER A 150 59.429 21.827 46.856 1.00 30.81 H new ATOM 0 HB2 SER A 150 59.924 20.768 49.004 1.00 31.69 H new ATOM 0 HB3 SER A 150 58.953 19.646 48.523 1.00 31.69 H new ATOM 0 HG SER A 150 61.013 19.249 47.830 1.00 35.76 H new ATOM 1948 N TYR A 151 57.608 21.109 45.320 1.00 24.70 N ATOM 1949 CA TYR A 151 56.545 20.538 44.452 1.00 29.23 C ATOM 1950 C TYR A 151 57.197 19.551 43.447 1.00 25.85 C ATOM 1951 O TYR A 151 58.126 19.927 42.745 1.00 27.10 O ATOM 1952 CB TYR A 151 55.855 21.669 43.691 1.00 29.43 C ATOM 1953 CG TYR A 151 54.819 22.354 44.575 1.00 28.56 C ATOM 1954 CD1 TYR A 151 53.535 21.848 44.632 1.00 24.21 C ATOM 1955 CD2 TYR A 151 55.133 23.469 45.302 1.00 26.60 C ATOM 1956 CE1 TYR A 151 52.566 22.460 45.407 1.00 27.31 C ATOM 1957 CE2 TYR A 151 54.158 24.072 46.075 1.00 28.51 C ATOM 1958 CZ TYR A 151 52.869 23.580 46.135 1.00 27.14 C ATOM 1959 OH TYR A 151 51.913 24.201 46.917 1.00 29.58 O ATOM 0 H TYR A 151 58.153 21.653 44.937 1.00 24.70 H new ATOM 0 HA TYR A 151 55.889 20.069 44.991 1.00 29.23 H new ATOM 0 HB2 TYR A 151 56.514 22.316 43.395 1.00 29.43 H new ATOM 0 HB3 TYR A 151 55.427 21.316 42.895 1.00 29.43 H new ATOM 0 HD1 TYR A 151 53.319 21.087 44.143 1.00 24.21 H new ATOM 0 HD2 TYR A 151 55.994 23.818 45.277 1.00 26.60 H new ATOM 0 HE1 TYR A 151 51.705 22.109 45.434 1.00 27.31 H new ATOM 0 HE2 TYR A 151 54.376 24.830 46.568 1.00 28.51 H new ATOM 0 HH TYR A 151 51.360 23.631 47.190 1.00 29.58 H new ATOM 1969 N PRO A 152 56.696 18.340 43.405 1.00 25.87 N ATOM 1970 CA PRO A 152 57.236 17.249 42.558 1.00 21.15 C ATOM 1971 C PRO A 152 56.757 17.309 41.134 1.00 23.09 C ATOM 1972 O PRO A 152 55.708 17.878 40.882 1.00 24.19 O ATOM 1973 CB PRO A 152 56.768 15.992 43.241 1.00 23.87 C ATOM 1974 CG PRO A 152 55.319 16.406 43.714 1.00 23.29 C ATOM 1975 CD PRO A 152 55.522 17.857 44.219 1.00 25.15 C ATOM 0 HA PRO A 152 58.201 17.307 42.482 1.00 21.15 H new ATOM 0 HB2 PRO A 152 56.751 15.234 42.637 1.00 23.87 H new ATOM 0 HB3 PRO A 152 57.339 15.748 43.986 1.00 23.87 H new ATOM 0 HG2 PRO A 152 54.678 16.365 42.987 1.00 23.29 H new ATOM 0 HG3 PRO A 152 54.990 15.824 44.416 1.00 23.29 H new ATOM 0 HD2 PRO A 152 54.734 18.402 44.070 1.00 25.15 H new ATOM 0 HD3 PRO A 152 55.710 17.883 45.170 1.00 25.15 H new ATOM 1983 N ASP A 153 57.509 16.702 40.259 1.00 16.09 N ATOM 1984 CA ASP A 153 57.101 16.711 38.834 1.00 18.13 C ATOM 1985 C ASP A 153 56.409 15.421 38.475 1.00 15.52 C ATOM 1986 O ASP A 153 55.687 15.404 37.496 1.00 20.01 O ATOM 1987 CB ASP A 153 58.326 16.909 37.928 1.00 20.55 C ATOM 1988 CG ASP A 153 58.786 18.371 38.057 1.00 22.65 C ATOM 1989 OD1 ASP A 153 57.925 19.223 37.956 1.00 23.78 O ATOM 1990 OD2 ASP A 153 59.972 18.579 38.252 1.00 33.55 O ATOM 0 H ASP A 153 58.240 16.285 40.435 1.00 16.09 H new ATOM 0 HA ASP A 153 56.484 17.448 38.700 1.00 18.13 H new ATOM 0 HB2 ASP A 153 59.040 16.305 38.187 1.00 20.55 H new ATOM 0 HB3 ASP A 153 58.102 16.705 37.007 1.00 20.55 H new ATOM 1995 N VAL A 154 56.627 14.397 39.258 1.00 16.98 N ATOM 1996 CA VAL A 154 55.981 13.072 38.986 1.00 16.12 C ATOM 1997 C VAL A 154 54.936 12.820 40.113 1.00 13.36 C ATOM 1998 O VAL A 154 55.031 13.372 41.195 1.00 15.41 O ATOM 1999 CB VAL A 154 57.051 11.937 38.978 1.00 15.79 C ATOM 2000 CG1 VAL A 154 58.063 12.194 37.836 1.00 16.14 C ATOM 2001 CG2 VAL A 154 57.818 11.915 40.341 1.00 16.34 C ATOM 0 H VAL A 154 57.134 14.416 39.952 1.00 16.98 H new ATOM 0 HA VAL A 154 55.550 13.077 38.117 1.00 16.12 H new ATOM 0 HB VAL A 154 56.607 11.085 38.844 1.00 15.79 H new ATOM 0 HG11 VAL A 154 58.729 11.489 37.829 1.00 16.14 H new ATOM 0 HG12 VAL A 154 57.596 12.205 36.986 1.00 16.14 H new ATOM 0 HG13 VAL A 154 58.499 13.049 37.976 1.00 16.14 H new ATOM 0 HG21 VAL A 154 58.481 11.207 40.328 1.00 16.34 H new ATOM 0 HG22 VAL A 154 58.259 12.768 40.478 1.00 16.34 H new ATOM 0 HG23 VAL A 154 57.190 11.756 41.063 1.00 16.34 H new ATOM 2011 N LEU A 155 54.009 11.971 39.795 1.00 11.03 N ATOM 2012 CA LEU A 155 52.927 11.628 40.714 1.00 11.25 C ATOM 2013 C LEU A 155 53.482 10.900 41.910 1.00 16.94 C ATOM 2014 O LEU A 155 54.350 10.032 41.767 1.00 16.66 O ATOM 2015 CB LEU A 155 51.945 10.790 39.919 1.00 12.02 C ATOM 2016 CG LEU A 155 50.525 10.710 40.535 1.00 17.73 C ATOM 2017 CD1 LEU A 155 49.885 12.122 40.656 1.00 19.04 C ATOM 2018 CD2 LEU A 155 49.629 9.801 39.650 1.00 20.62 C ATOM 0 H LEU A 155 53.972 11.564 39.038 1.00 11.03 H new ATOM 0 HA LEU A 155 52.476 12.411 41.066 1.00 11.25 H new ATOM 0 HB2 LEU A 155 51.877 11.155 39.023 1.00 12.02 H new ATOM 0 HB3 LEU A 155 52.299 9.891 39.833 1.00 12.02 H new ATOM 0 HG LEU A 155 50.597 10.335 41.427 1.00 17.73 H new ATOM 0 HD11 LEU A 155 48.999 12.044 41.043 1.00 19.04 H new ATOM 0 HD12 LEU A 155 50.438 12.680 41.225 1.00 19.04 H new ATOM 0 HD13 LEU A 155 49.818 12.524 39.776 1.00 19.04 H new ATOM 0 HD21 LEU A 155 48.740 9.750 40.034 1.00 20.62 H new ATOM 0 HD22 LEU A 155 49.573 10.173 38.756 1.00 20.62 H new ATOM 0 HD23 LEU A 155 50.013 8.911 39.606 1.00 20.62 H new ATOM 2030 N LYS A 156 52.911 11.314 43.020 1.00 15.94 N ATOM 2031 CA LYS A 156 53.235 10.792 44.364 1.00 13.67 C ATOM 2032 C LYS A 156 51.946 10.165 44.909 1.00 15.85 C ATOM 2033 O LYS A 156 50.866 10.717 44.809 1.00 10.35 O ATOM 2034 CB LYS A 156 53.677 11.926 45.276 1.00 15.80 C ATOM 2035 CG LYS A 156 54.949 12.606 44.731 1.00 16.45 C ATOM 2036 CD LYS A 156 56.160 11.643 44.789 1.00 17.51 C ATOM 2037 CE LYS A 156 57.450 12.455 44.470 1.00 17.13 C ATOM 2038 NZ LYS A 156 58.672 11.647 44.764 0.38 17.57 N ATOM 0 H LYS A 156 52.305 11.924 43.030 1.00 15.94 H new ATOM 0 HA LYS A 156 53.956 10.145 44.321 1.00 13.67 H new ATOM 0 HB2 LYS A 156 52.965 12.580 45.354 1.00 15.80 H new ATOM 0 HB3 LYS A 156 53.846 11.582 46.167 1.00 15.80 H new ATOM 0 HG2 LYS A 156 54.801 12.890 43.816 1.00 16.45 H new ATOM 0 HG3 LYS A 156 55.141 13.404 45.248 1.00 16.45 H new ATOM 0 HD2 LYS A 156 56.226 11.236 45.667 1.00 17.51 H new ATOM 0 HD3 LYS A 156 56.049 10.922 44.150 1.00 17.51 H new ATOM 0 HE2 LYS A 156 57.449 12.719 43.537 1.00 17.13 H new ATOM 0 HE3 LYS A 156 57.462 13.270 44.995 1.00 17.13 H new ATOM 0 HZ1 LYS A 156 59.392 12.079 44.469 0.38 17.57 H new ATOM 0 HZ2 LYS A 156 58.741 11.521 45.642 0.38 17.57 H new ATOM 0 HZ3 LYS A 156 58.612 10.858 44.356 0.38 17.57 H new ATOM 2052 N CYS A 157 52.167 9.030 45.480 1.00 17.11 N ATOM 2053 CA CYS A 157 51.129 8.170 46.099 1.00 19.47 C ATOM 2054 C CYS A 157 51.324 8.098 47.578 1.00 16.77 C ATOM 2055 O CYS A 157 52.398 8.392 48.071 1.00 20.49 O ATOM 2056 CB CYS A 157 51.247 6.799 45.527 1.00 18.61 C ATOM 2057 SG CYS A 157 50.553 6.602 43.882 1.00 15.37 S ATOM 0 H CYS A 157 52.956 8.693 45.538 1.00 17.11 H new ATOM 0 HA CYS A 157 50.253 8.544 45.917 1.00 19.47 H new ATOM 0 HB2 CYS A 157 52.185 6.554 45.499 1.00 18.61 H new ATOM 0 HB3 CYS A 157 50.808 6.174 46.126 1.00 18.61 H new ATOM 2062 N LEU A 158 50.265 7.710 48.233 1.00 19.28 N ATOM 2063 CA LEU A 158 50.249 7.568 49.717 1.00 17.94 C ATOM 2064 C LEU A 158 49.101 6.625 50.038 1.00 18.64 C ATOM 2065 O LEU A 158 48.042 6.742 49.462 1.00 19.78 O ATOM 2066 CB LEU A 158 50.022 8.970 50.335 1.00 15.87 C ATOM 2067 CG LEU A 158 49.663 8.910 51.840 1.00 21.03 C ATOM 2068 CD1 LEU A 158 50.847 8.466 52.696 1.00 21.68 C ATOM 2069 CD2 LEU A 158 49.183 10.311 52.327 1.00 20.44 C ATOM 0 H LEU A 158 49.518 7.514 47.855 1.00 19.28 H new ATOM 0 HA LEU A 158 51.078 7.214 50.075 1.00 17.94 H new ATOM 0 HB2 LEU A 158 50.823 9.504 50.219 1.00 15.87 H new ATOM 0 HB3 LEU A 158 49.309 9.420 49.854 1.00 15.87 H new ATOM 0 HG LEU A 158 48.955 8.255 51.940 1.00 21.03 H new ATOM 0 HD11 LEU A 158 50.581 8.442 53.629 1.00 21.68 H new ATOM 0 HD12 LEU A 158 51.134 7.582 52.419 1.00 21.68 H new ATOM 0 HD13 LEU A 158 51.579 9.092 52.585 1.00 21.68 H new ATOM 0 HD21 LEU A 158 48.960 10.267 53.270 1.00 20.44 H new ATOM 0 HD22 LEU A 158 49.891 10.960 52.193 1.00 20.44 H new ATOM 0 HD23 LEU A 158 48.399 10.578 51.822 1.00 20.44 H new ATOM 2081 N LYS A 159 49.328 5.729 50.939 1.00 20.60 N ATOM 2082 CA LYS A 159 48.291 4.757 51.357 1.00 19.85 C ATOM 2083 C LYS A 159 47.967 5.198 52.780 1.00 18.61 C ATOM 2084 O LYS A 159 48.880 5.323 53.573 1.00 19.70 O ATOM 2085 CB LYS A 159 48.840 3.362 51.409 1.00 21.68 C ATOM 2086 CG LYS A 159 49.098 2.733 50.015 1.00 23.60 C ATOM 2087 CD LYS A 159 49.727 1.350 50.287 0.43 23.02 C ATOM 2088 CE LYS A 159 49.707 0.511 49.011 0.43 23.10 C ATOM 2089 NZ LYS A 159 50.650 1.086 48.030 0.43 23.81 N ATOM 0 H LYS A 159 50.080 5.640 51.346 1.00 20.60 H new ATOM 0 HA LYS A 159 47.535 4.743 50.749 1.00 19.85 H new ATOM 0 HB2 LYS A 159 49.671 3.370 51.909 1.00 21.68 H new ATOM 0 HB3 LYS A 159 48.220 2.798 51.898 1.00 21.68 H new ATOM 0 HG2 LYS A 159 48.272 2.647 49.514 1.00 23.60 H new ATOM 0 HG3 LYS A 159 49.693 3.288 49.488 1.00 23.60 H new ATOM 0 HD2 LYS A 159 50.639 1.456 50.600 0.43 23.02 H new ATOM 0 HD3 LYS A 159 49.237 0.896 50.990 0.43 23.02 H new ATOM 0 HE2 LYS A 159 49.952 -0.406 49.211 0.43 23.10 H new ATOM 0 HE3 LYS A 159 48.811 0.490 48.640 0.43 23.10 H new ATOM 0 HZ1 LYS A 159 50.597 0.633 47.266 0.43 23.81 H new ATOM 0 HZ2 LYS A 159 50.443 1.939 47.884 0.43 23.81 H new ATOM 0 HZ3 LYS A 159 51.479 1.033 48.349 0.43 23.81 H new ATOM 2103 N ALA A 160 46.726 5.436 53.070 1.00 16.50 N ATOM 2104 CA ALA A 160 46.342 5.870 54.439 1.00 15.11 C ATOM 2105 C ALA A 160 44.993 5.224 54.708 1.00 18.35 C ATOM 2106 O ALA A 160 44.213 5.023 53.799 1.00 15.20 O ATOM 2107 CB ALA A 160 46.222 7.369 54.464 1.00 15.01 C ATOM 0 H ALA A 160 46.073 5.362 52.516 1.00 16.50 H new ATOM 0 HA ALA A 160 46.995 5.613 55.109 1.00 15.11 H new ATOM 0 HB1 ALA A 160 45.971 7.659 55.355 1.00 15.01 H new ATOM 0 HB2 ALA A 160 47.073 7.766 54.223 1.00 15.01 H new ATOM 0 HB3 ALA A 160 45.544 7.650 53.830 1.00 15.01 H new ATOM 2113 N PRO A 161 44.714 4.903 55.936 1.00 20.11 N ATOM 2114 CA PRO A 161 43.377 4.386 56.306 1.00 19.94 C ATOM 2115 C PRO A 161 42.352 5.477 56.696 1.00 15.95 C ATOM 2116 O PRO A 161 42.710 6.578 57.075 1.00 13.34 O ATOM 2117 CB PRO A 161 43.685 3.445 57.456 1.00 23.01 C ATOM 2118 CG PRO A 161 44.815 4.266 58.243 1.00 20.68 C ATOM 2119 CD PRO A 161 45.656 4.946 57.102 1.00 23.65 C ATOM 0 HA PRO A 161 42.939 3.957 55.555 1.00 19.94 H new ATOM 0 HB2 PRO A 161 42.906 3.275 58.008 1.00 23.01 H new ATOM 0 HB3 PRO A 161 44.007 2.584 57.147 1.00 23.01 H new ATOM 0 HG2 PRO A 161 44.425 4.925 58.838 1.00 20.68 H new ATOM 0 HG3 PRO A 161 45.364 3.681 58.788 1.00 20.68 H new ATOM 0 HD2 PRO A 161 45.907 5.855 57.331 1.00 23.65 H new ATOM 0 HD3 PRO A 161 46.477 4.462 56.921 1.00 23.65 H new ATOM 2127 N ILE A 162 41.107 5.107 56.592 1.00 12.74 N ATOM 2128 CA ILE A 162 40.011 6.053 56.957 1.00 13.08 C ATOM 2129 C ILE A 162 40.011 5.968 58.466 1.00 8.44 C ATOM 2130 O ILE A 162 40.098 4.883 59.012 1.00 15.15 O ATOM 2131 CB ILE A 162 38.697 5.552 56.406 1.00 10.63 C ATOM 2132 CG1 ILE A 162 38.812 5.644 54.893 1.00 10.84 C ATOM 2133 CG2 ILE A 162 37.521 6.405 56.910 1.00 12.03 C ATOM 2134 CD1 ILE A 162 37.563 5.100 54.229 1.00 9.33 C ATOM 0 H ILE A 162 40.847 4.334 56.320 1.00 12.74 H new ATOM 0 HA ILE A 162 40.131 6.953 56.614 1.00 13.08 H new ATOM 0 HB ILE A 162 38.523 4.643 56.697 1.00 10.63 H new ATOM 0 HG12 ILE A 162 38.948 6.568 54.630 1.00 10.84 H new ATOM 0 HG13 ILE A 162 39.588 5.146 54.592 1.00 10.84 H new ATOM 0 HG21 ILE A 162 36.691 6.062 56.542 1.00 12.03 H new ATOM 0 HG22 ILE A 162 37.485 6.367 57.879 1.00 12.03 H new ATOM 0 HG23 ILE A 162 37.644 7.325 56.628 1.00 12.03 H new ATOM 0 HD11 ILE A 162 37.653 5.166 53.266 1.00 9.33 H new ATOM 0 HD12 ILE A 162 37.442 4.171 54.479 1.00 9.33 H new ATOM 0 HD13 ILE A 162 36.793 5.614 54.517 1.00 9.33 H new ATOM 2146 N LEU A 163 39.889 7.095 59.074 1.00 15.34 N ATOM 2147 CA LEU A 163 39.885 7.184 60.550 1.00 17.07 C ATOM 2148 C LEU A 163 38.424 7.217 60.992 1.00 18.33 C ATOM 2149 O LEU A 163 37.529 7.531 60.227 1.00 16.59 O ATOM 2150 CB LEU A 163 40.571 8.486 61.005 1.00 14.76 C ATOM 2151 CG LEU A 163 41.986 8.628 60.462 1.00 18.91 C ATOM 2152 CD1 LEU A 163 42.503 9.997 60.963 1.00 20.76 C ATOM 2153 CD2 LEU A 163 42.866 7.525 61.018 1.00 20.74 C ATOM 0 H LEU A 163 39.804 7.851 58.672 1.00 15.34 H new ATOM 0 HA LEU A 163 40.360 6.431 60.936 1.00 17.07 H new ATOM 0 HB2 LEU A 163 40.040 9.245 60.715 1.00 14.76 H new ATOM 0 HB3 LEU A 163 40.597 8.511 61.974 1.00 14.76 H new ATOM 0 HG LEU A 163 42.000 8.568 59.494 1.00 18.91 H new ATOM 0 HD11 LEU A 163 43.408 10.138 60.643 1.00 20.76 H new ATOM 0 HD12 LEU A 163 41.928 10.703 60.628 1.00 20.76 H new ATOM 0 HD13 LEU A 163 42.498 10.010 61.933 1.00 20.76 H new ATOM 0 HD21 LEU A 163 43.766 7.621 60.668 1.00 20.74 H new ATOM 0 HD22 LEU A 163 42.888 7.585 61.986 1.00 20.74 H new ATOM 0 HD23 LEU A 163 42.508 6.662 60.756 1.00 20.74 H new ATOM 2165 N SER A 164 38.227 6.903 62.238 1.00 15.57 N ATOM 2166 CA SER A 164 36.860 6.896 62.777 1.00 19.21 C ATOM 2167 C SER A 164 36.351 8.339 62.756 1.00 19.64 C ATOM 2168 O SER A 164 37.159 9.249 62.764 1.00 22.75 O ATOM 2169 CB SER A 164 36.933 6.313 64.235 1.00 18.95 C ATOM 2170 OG SER A 164 37.854 7.096 65.018 1.00 18.94 O ATOM 0 H SER A 164 38.845 6.691 62.797 1.00 15.57 H new ATOM 0 HA SER A 164 36.249 6.349 62.258 1.00 19.21 H new ATOM 0 HB2 SER A 164 36.053 6.326 64.644 1.00 18.95 H new ATOM 0 HB3 SER A 164 37.220 5.387 64.210 1.00 18.95 H new ATOM 0 HG SER A 164 37.441 7.468 65.648 1.00 18.94 H new ATOM 2176 N ASP A 165 35.063 8.553 62.731 1.00 20.72 N ATOM 2177 CA ASP A 165 34.596 9.964 62.725 1.00 26.45 C ATOM 2178 C ASP A 165 34.891 10.561 64.069 1.00 25.09 C ATOM 2179 O ASP A 165 35.037 11.762 64.139 1.00 28.66 O ATOM 2180 CB ASP A 165 33.097 10.064 62.470 1.00 29.39 C ATOM 2181 CG ASP A 165 32.831 9.880 60.954 1.00 37.23 C ATOM 2182 OD1 ASP A 165 33.324 10.720 60.212 1.00 40.29 O ATOM 2183 OD2 ASP A 165 32.159 8.920 60.605 1.00 41.73 O ATOM 0 H ASP A 165 34.451 7.949 62.717 1.00 20.72 H new ATOM 0 HA ASP A 165 35.055 10.436 62.013 1.00 26.45 H new ATOM 0 HB2 ASP A 165 32.625 9.386 62.978 1.00 29.39 H new ATOM 0 HB3 ASP A 165 32.763 10.925 62.767 1.00 29.39 H new ATOM 2188 N SER A 166 34.982 9.762 65.089 1.00 21.67 N ATOM 2189 CA SER A 166 35.278 10.300 66.443 1.00 21.86 C ATOM 2190 C SER A 166 36.623 10.974 66.530 1.00 23.46 C ATOM 2191 O SER A 166 36.706 12.047 67.089 1.00 18.66 O ATOM 2192 CB SER A 166 35.251 9.168 67.504 1.00 24.79 C ATOM 2193 OG SER A 166 35.902 8.071 66.854 0.22 25.24 O ATOM 0 H SER A 166 34.882 8.909 65.051 1.00 21.67 H new ATOM 0 HA SER A 166 34.587 10.958 66.616 1.00 21.86 H new ATOM 0 HB2 SER A 166 35.717 9.429 68.314 1.00 24.79 H new ATOM 0 HB3 SER A 166 34.343 8.942 67.759 1.00 24.79 H new ATOM 0 HG SER A 166 35.927 7.412 67.374 0.22 25.24 H new ATOM 2199 N SER A 167 37.646 10.367 65.992 1.00 24.28 N ATOM 2200 CA SER A 167 38.976 11.032 66.084 1.00 23.32 C ATOM 2201 C SER A 167 39.048 12.217 65.100 1.00 19.84 C ATOM 2202 O SER A 167 39.813 13.138 65.271 1.00 22.30 O ATOM 2203 CB SER A 167 40.042 9.932 65.814 1.00 26.42 C ATOM 2204 OG SER A 167 39.672 9.299 64.597 1.00 33.23 O ATOM 0 H SER A 167 37.627 9.610 65.584 1.00 24.28 H new ATOM 0 HA SER A 167 39.137 11.418 66.959 1.00 23.32 H new ATOM 0 HB2 SER A 167 40.928 10.320 65.745 1.00 26.42 H new ATOM 0 HB3 SER A 167 40.069 9.291 66.542 1.00 26.42 H new ATOM 0 HG SER A 167 39.201 8.624 64.764 1.00 33.23 H new ATOM 2210 N CYS A 168 38.243 12.165 64.078 1.00 21.61 N ATOM 2211 CA CYS A 168 38.181 13.239 63.029 1.00 18.35 C ATOM 2212 C CYS A 168 37.570 14.466 63.717 1.00 16.77 C ATOM 2213 O CYS A 168 38.124 15.551 63.735 1.00 13.58 O ATOM 2214 CB CYS A 168 37.300 12.665 61.869 1.00 19.26 C ATOM 2215 SG CYS A 168 37.128 13.539 60.296 1.00 14.76 S ATOM 0 H CYS A 168 37.698 11.514 63.940 1.00 21.61 H new ATOM 0 HA CYS A 168 39.036 13.500 62.652 1.00 18.35 H new ATOM 0 HB2 CYS A 168 37.643 11.781 61.665 1.00 19.26 H new ATOM 0 HB3 CYS A 168 36.406 12.547 62.226 1.00 19.26 H new ATOM 2220 N LYS A 169 36.423 14.241 64.285 1.00 15.05 N ATOM 2221 CA LYS A 169 35.720 15.343 64.991 1.00 13.88 C ATOM 2222 C LYS A 169 36.491 15.879 66.155 1.00 15.22 C ATOM 2223 O LYS A 169 36.348 17.047 66.416 1.00 12.92 O ATOM 2224 CB LYS A 169 34.369 14.852 65.474 1.00 13.24 C ATOM 2225 CG LYS A 169 33.418 14.698 64.250 1.00 18.48 C ATOM 2226 CD LYS A 169 32.132 13.941 64.656 1.00 19.91 C ATOM 2227 CE LYS A 169 31.210 13.843 63.434 1.00 23.21 C ATOM 2228 NZ LYS A 169 30.041 13.017 63.824 1.00 24.95 N ATOM 0 H LYS A 169 36.017 13.483 64.290 1.00 15.05 H new ATOM 0 HA LYS A 169 35.620 16.068 64.354 1.00 13.88 H new ATOM 0 HB2 LYS A 169 34.466 14.003 65.932 1.00 13.24 H new ATOM 0 HB3 LYS A 169 33.994 15.478 66.113 1.00 13.24 H new ATOM 0 HG2 LYS A 169 33.188 15.573 63.900 1.00 18.48 H new ATOM 0 HG3 LYS A 169 33.872 14.218 63.539 1.00 18.48 H new ATOM 0 HD2 LYS A 169 32.353 13.055 64.982 1.00 19.91 H new ATOM 0 HD3 LYS A 169 31.683 14.406 65.379 1.00 19.91 H new ATOM 0 HE2 LYS A 169 30.925 14.726 63.150 1.00 23.21 H new ATOM 0 HE3 LYS A 169 31.677 13.441 62.685 1.00 23.21 H new ATOM 0 HZ1 LYS A 169 29.486 12.942 63.132 1.00 24.95 H new ATOM 0 HZ2 LYS A 169 30.318 12.208 64.071 1.00 24.95 H new ATOM 0 HZ3 LYS A 169 29.617 13.405 64.504 1.00 24.95 H new ATOM 2242 N SER A 170 37.267 15.104 66.845 1.00 22.78 N ATOM 2243 CA SER A 170 38.033 15.655 68.016 1.00 18.11 C ATOM 2244 C SER A 170 39.154 16.568 67.510 1.00 20.29 C ATOM 2245 O SER A 170 39.507 17.566 68.123 1.00 16.23 O ATOM 2246 CB SER A 170 38.642 14.493 68.805 0.61 17.19 C ATOM 2247 OG SER A 170 37.550 13.599 69.006 0.61 16.15 O ATOM 0 H SER A 170 37.390 14.267 66.688 1.00 22.78 H new ATOM 0 HA SER A 170 37.436 16.164 68.587 1.00 18.11 H new ATOM 0 HB2 SER A 170 39.362 14.069 68.313 0.61 17.19 H new ATOM 0 HB3 SER A 170 39.014 14.794 69.649 0.61 17.19 H new ATOM 0 HG SER A 170 37.513 13.053 68.369 0.61 16.15 H new ATOM 2253 N ALA A 171 39.667 16.180 66.362 1.00 21.47 N ATOM 2254 CA ALA A 171 40.771 16.986 65.783 1.00 16.34 C ATOM 2255 C ALA A 171 40.215 18.298 65.277 1.00 17.34 C ATOM 2256 O ALA A 171 40.895 19.311 65.354 1.00 19.17 O ATOM 2257 CB ALA A 171 41.435 16.220 64.626 1.00 17.81 C ATOM 0 H ALA A 171 39.420 15.493 65.907 1.00 21.47 H new ATOM 0 HA ALA A 171 41.438 17.156 66.467 1.00 16.34 H new ATOM 0 HB1 ALA A 171 42.154 16.754 64.255 1.00 17.81 H new ATOM 0 HB2 ALA A 171 41.793 15.381 64.956 1.00 17.81 H new ATOM 0 HB3 ALA A 171 40.777 16.041 63.936 1.00 17.81 H new ATOM 2263 N TYR A 172 39.008 18.257 64.773 1.00 17.95 N ATOM 2264 CA TYR A 172 38.370 19.499 64.229 1.00 15.65 C ATOM 2265 C TYR A 172 36.954 19.816 64.796 1.00 18.54 C ATOM 2266 O TYR A 172 35.960 19.771 64.086 1.00 15.49 O ATOM 2267 CB TYR A 172 38.275 19.359 62.686 1.00 17.47 C ATOM 2268 CG TYR A 172 39.633 19.194 61.975 1.00 14.31 C ATOM 2269 CD1 TYR A 172 40.030 17.965 61.491 1.00 16.66 C ATOM 2270 CD2 TYR A 172 40.463 20.277 61.791 1.00 16.96 C ATOM 2271 CE1 TYR A 172 41.232 17.818 60.826 1.00 17.92 C ATOM 2272 CE2 TYR A 172 41.661 20.130 61.130 1.00 16.13 C ATOM 2273 CZ TYR A 172 42.048 18.896 60.641 1.00 14.39 C ATOM 2274 OH TYR A 172 43.236 18.720 59.974 1.00 15.51 O ATOM 0 H TYR A 172 38.524 17.548 64.723 1.00 17.95 H new ATOM 0 HA TYR A 172 38.933 20.239 64.505 1.00 15.65 H new ATOM 0 HB2 TYR A 172 37.717 18.594 62.476 1.00 17.47 H new ATOM 0 HB3 TYR A 172 37.828 20.142 62.328 1.00 17.47 H new ATOM 0 HD1 TYR A 172 39.481 17.225 61.614 1.00 16.66 H new ATOM 0 HD2 TYR A 172 40.213 21.112 62.115 1.00 16.96 H new ATOM 0 HE1 TYR A 172 41.485 16.983 60.504 1.00 17.92 H new ATOM 0 HE2 TYR A 172 42.215 20.867 61.011 1.00 16.13 H new ATOM 0 HH TYR A 172 43.232 17.975 59.585 1.00 15.51 H new ATOM 2284 N PRO A 173 36.832 20.136 66.051 1.00 16.34 N ATOM 2285 CA PRO A 173 35.487 20.282 66.664 1.00 19.81 C ATOM 2286 C PRO A 173 34.570 21.276 65.895 1.00 18.55 C ATOM 2287 O PRO A 173 35.006 22.344 65.510 1.00 18.27 O ATOM 2288 CB PRO A 173 35.814 20.697 68.123 1.00 19.53 C ATOM 2289 CG PRO A 173 37.221 20.066 68.343 1.00 19.58 C ATOM 2290 CD PRO A 173 37.929 20.379 67.015 1.00 19.76 C ATOM 0 HA PRO A 173 34.958 19.470 66.631 1.00 19.81 H new ATOM 0 HB2 PRO A 173 35.829 21.661 68.230 1.00 19.53 H new ATOM 0 HB3 PRO A 173 35.161 20.352 68.752 1.00 19.53 H new ATOM 0 HG2 PRO A 173 37.681 20.461 69.100 1.00 19.58 H new ATOM 0 HG3 PRO A 173 37.168 19.112 68.509 1.00 19.58 H new ATOM 0 HD2 PRO A 173 38.255 21.292 66.978 1.00 19.76 H new ATOM 0 HD3 PRO A 173 38.691 19.799 66.859 1.00 19.76 H new ATOM 2298 N GLY A 174 33.336 20.883 65.701 1.00 16.72 N ATOM 2299 CA GLY A 174 32.312 21.702 64.991 1.00 15.34 C ATOM 2300 C GLY A 174 32.653 22.047 63.555 1.00 17.84 C ATOM 2301 O GLY A 174 32.040 22.929 62.979 1.00 22.71 O ATOM 0 H GLY A 174 33.039 20.123 65.973 1.00 16.72 H new ATOM 0 HA2 GLY A 174 31.469 21.223 65.003 1.00 15.34 H new ATOM 0 HA3 GLY A 174 32.177 22.526 65.484 1.00 15.34 H new ATOM 2305 N GLN A 175 33.605 21.365 62.992 1.00 15.16 N ATOM 2306 CA GLN A 175 33.988 21.653 61.592 1.00 12.28 C ATOM 2307 C GLN A 175 33.713 20.500 60.655 1.00 15.49 C ATOM 2308 O GLN A 175 33.771 20.717 59.464 1.00 15.45 O ATOM 2309 CB GLN A 175 35.466 21.944 61.503 1.00 17.42 C ATOM 2310 CG GLN A 175 35.886 23.214 62.296 1.00 19.97 C ATOM 2311 CD GLN A 175 37.366 23.524 61.969 1.00 24.90 C ATOM 2312 OE1 GLN A 175 38.277 22.844 62.382 1.00 33.83 O ATOM 2313 NE2 GLN A 175 37.701 24.526 61.229 1.00 26.44 N ATOM 0 H GLN A 175 34.051 20.736 63.373 1.00 15.16 H new ATOM 0 HA GLN A 175 33.451 22.416 61.326 1.00 12.28 H new ATOM 0 HB2 GLN A 175 35.961 21.181 61.839 1.00 17.42 H new ATOM 0 HB3 GLN A 175 35.713 22.054 60.571 1.00 17.42 H new ATOM 0 HG2 GLN A 175 35.322 23.965 62.054 1.00 19.97 H new ATOM 0 HG3 GLN A 175 35.773 23.070 63.249 1.00 19.97 H new ATOM 0 HE21 GLN A 175 37.095 25.044 60.907 1.00 26.44 H new ATOM 0 HE22 GLN A 175 38.530 24.676 61.057 1.00 26.44 H new ATOM 2322 N ILE A 176 33.417 19.344 61.171 1.00 16.25 N ATOM 2323 CA ILE A 176 33.154 18.162 60.296 1.00 16.88 C ATOM 2324 C ILE A 176 31.661 17.902 60.044 1.00 14.61 C ATOM 2325 O ILE A 176 30.924 17.974 61.001 1.00 21.52 O ATOM 2326 CB ILE A 176 33.878 16.944 61.025 1.00 14.91 C ATOM 2327 CG1 ILE A 176 35.407 17.267 61.212 1.00 16.36 C ATOM 2328 CG2 ILE A 176 33.706 15.568 60.328 1.00 16.11 C ATOM 2329 CD1 ILE A 176 36.101 17.601 59.817 1.00 15.02 C ATOM 0 H ILE A 176 33.356 19.190 62.015 1.00 16.25 H new ATOM 0 HA ILE A 176 33.501 18.307 59.402 1.00 16.88 H new ATOM 0 HB ILE A 176 33.435 16.854 61.883 1.00 14.91 H new ATOM 0 HG12 ILE A 176 35.510 18.020 61.815 1.00 16.36 H new ATOM 0 HG13 ILE A 176 35.852 16.510 61.624 1.00 16.36 H new ATOM 0 HG21 ILE A 176 34.176 14.887 60.835 1.00 16.11 H new ATOM 0 HG22 ILE A 176 32.763 15.344 60.282 1.00 16.11 H new ATOM 0 HG23 ILE A 176 34.072 15.612 59.431 1.00 16.11 H new ATOM 0 HD11 ILE A 176 37.040 17.796 59.961 1.00 15.02 H new ATOM 0 HD12 ILE A 176 36.017 16.839 59.223 1.00 15.02 H new ATOM 0 HD13 ILE A 176 35.669 18.372 59.417 1.00 15.02 H new ATOM 2341 N THR A 177 31.239 17.621 58.828 1.00 17.44 N ATOM 2342 CA THR A 177 29.784 17.342 58.575 1.00 12.56 C ATOM 2343 C THR A 177 29.743 15.878 58.121 1.00 11.06 C ATOM 2344 O THR A 177 30.749 15.191 58.013 1.00 8.38 O ATOM 2345 CB THR A 177 29.212 18.231 57.467 1.00 10.09 C ATOM 2346 OG1 THR A 177 30.009 17.953 56.315 1.00 6.45 O ATOM 2347 CG2 THR A 177 29.489 19.655 57.820 1.00 10.43 C ATOM 0 H THR A 177 31.744 17.581 58.133 1.00 17.44 H new ATOM 0 HA THR A 177 29.255 17.518 59.369 1.00 12.56 H new ATOM 0 HB THR A 177 28.263 18.079 57.337 1.00 10.09 H new ATOM 0 HG1 THR A 177 29.795 18.476 55.693 1.00 6.45 H new ATOM 0 HG21 THR A 177 29.133 20.235 57.129 1.00 10.43 H new ATOM 0 HG22 THR A 177 29.067 19.866 58.667 1.00 10.43 H new ATOM 0 HG23 THR A 177 30.447 19.790 57.894 1.00 10.43 H new ATOM 2355 N SER A 178 28.577 15.414 57.842 1.00 9.17 N ATOM 2356 CA SER A 178 28.394 14.035 57.395 1.00 13.58 C ATOM 2357 C SER A 178 28.886 13.873 55.959 1.00 13.72 C ATOM 2358 O SER A 178 28.903 12.774 55.448 1.00 11.74 O ATOM 2359 CB SER A 178 26.906 13.758 57.542 1.00 21.56 C ATOM 2360 OG SER A 178 26.293 14.933 56.981 1.00 24.86 O ATOM 0 H SER A 178 27.850 15.871 57.898 1.00 9.17 H new ATOM 0 HA SER A 178 28.909 13.400 57.917 1.00 13.58 H new ATOM 0 HB2 SER A 178 26.643 12.955 57.066 1.00 21.56 H new ATOM 0 HB3 SER A 178 26.655 13.632 58.471 1.00 21.56 H new ATOM 0 HG SER A 178 25.457 14.860 57.022 1.00 24.86 H new ATOM 2366 N ASN A 179 29.292 14.942 55.321 1.00 12.66 N ATOM 2367 CA ASN A 179 29.782 14.854 53.899 1.00 14.03 C ATOM 2368 C ASN A 179 31.290 14.887 53.822 1.00 13.57 C ATOM 2369 O ASN A 179 31.825 15.175 52.776 1.00 15.51 O ATOM 2370 CB ASN A 179 29.311 16.053 53.018 1.00 10.85 C ATOM 2371 CG ASN A 179 27.798 16.084 52.981 1.00 9.42 C ATOM 2372 OD1 ASN A 179 27.117 15.132 52.653 1.00 10.28 O ATOM 2373 ND2 ASN A 179 27.209 17.173 53.321 1.00 16.21 N ATOM 0 H ASN A 179 29.305 15.733 55.658 1.00 12.66 H new ATOM 0 HA ASN A 179 29.415 14.016 53.575 1.00 14.03 H new ATOM 0 HB2 ASN A 179 29.653 16.886 53.378 1.00 10.85 H new ATOM 0 HB3 ASN A 179 29.665 15.966 52.119 1.00 10.85 H new ATOM 0 HD21 ASN A 179 26.350 17.218 53.314 1.00 16.21 H new ATOM 0 HD22 ASN A 179 27.673 17.858 53.556 1.00 16.21 H new ATOM 2380 N MET A 180 31.915 14.602 54.916 1.00 9.64 N ATOM 2381 CA MET A 180 33.378 14.591 55.044 1.00 13.36 C ATOM 2382 C MET A 180 33.848 13.437 55.945 1.00 14.06 C ATOM 2383 O MET A 180 33.092 12.967 56.772 1.00 15.06 O ATOM 2384 CB MET A 180 33.914 15.819 55.763 1.00 9.60 C ATOM 2385 CG MET A 180 33.504 17.205 55.256 1.00 12.97 C ATOM 2386 SD MET A 180 34.003 18.577 56.340 1.00 16.79 S ATOM 2387 CE MET A 180 33.250 19.915 55.396 1.00 17.58 C ATOM 0 H MET A 180 31.508 14.399 55.646 1.00 9.64 H new ATOM 0 HA MET A 180 33.696 14.530 54.130 1.00 13.36 H new ATOM 0 HB2 MET A 180 33.647 15.755 56.693 1.00 9.60 H new ATOM 0 HB3 MET A 180 34.883 15.773 55.742 1.00 9.60 H new ATOM 0 HG2 MET A 180 33.891 17.344 54.377 1.00 12.97 H new ATOM 0 HG3 MET A 180 32.540 17.226 55.148 1.00 12.97 H new ATOM 0 HE1 MET A 180 33.573 20.767 55.728 1.00 17.58 H new ATOM 0 HE2 MET A 180 33.485 19.823 54.459 1.00 17.58 H new ATOM 0 HE3 MET A 180 32.286 19.876 55.492 1.00 17.58 H new ATOM 2397 N PHE A 181 35.065 13.027 55.755 1.00 18.20 N ATOM 2398 CA PHE A 181 35.669 11.946 56.584 1.00 14.72 C ATOM 2399 C PHE A 181 37.165 12.288 56.592 1.00 12.88 C ATOM 2400 O PHE A 181 37.702 12.961 55.723 1.00 10.64 O ATOM 2401 CB PHE A 181 35.415 10.508 55.968 1.00 11.74 C ATOM 2402 CG PHE A 181 36.135 10.147 54.668 1.00 7.08 C ATOM 2403 CD1 PHE A 181 37.387 9.566 54.661 1.00 10.64 C ATOM 2404 CD2 PHE A 181 35.517 10.375 53.451 1.00 13.04 C ATOM 2405 CE1 PHE A 181 38.010 9.217 53.467 1.00 15.07 C ATOM 2406 CE2 PHE A 181 36.139 10.035 52.252 1.00 14.21 C ATOM 2407 CZ PHE A 181 37.384 9.457 52.244 1.00 11.19 C ATOM 0 H PHE A 181 35.589 13.346 55.152 1.00 18.20 H new ATOM 0 HA PHE A 181 35.282 11.907 57.473 1.00 14.72 H new ATOM 0 HB2 PHE A 181 35.662 9.850 56.637 1.00 11.74 H new ATOM 0 HB3 PHE A 181 34.462 10.414 55.816 1.00 11.74 H new ATOM 0 HD1 PHE A 181 37.821 9.405 55.468 1.00 10.64 H new ATOM 0 HD2 PHE A 181 34.672 10.762 53.433 1.00 13.04 H new ATOM 0 HE1 PHE A 181 38.851 8.820 53.485 1.00 15.07 H new ATOM 0 HE2 PHE A 181 35.705 10.202 51.446 1.00 14.21 H new ATOM 0 HZ PHE A 181 37.800 9.231 51.443 1.00 11.19 H new ATOM 2417 N CYS A 182 37.818 11.794 57.588 1.00 16.49 N ATOM 2418 CA CYS A 182 39.263 12.037 57.706 1.00 15.47 C ATOM 2419 C CYS A 182 39.987 10.757 57.377 1.00 13.76 C ATOM 2420 O CYS A 182 39.461 9.672 57.565 1.00 12.93 O ATOM 2421 CB CYS A 182 39.623 12.440 59.143 1.00 13.55 C ATOM 2422 SG CYS A 182 39.035 13.989 59.867 1.00 16.54 S ATOM 0 H CYS A 182 37.473 11.317 58.215 1.00 16.49 H new ATOM 0 HA CYS A 182 39.517 12.751 57.101 1.00 15.47 H new ATOM 0 HB2 CYS A 182 39.316 11.724 59.721 1.00 13.55 H new ATOM 0 HB3 CYS A 182 40.591 12.453 59.198 1.00 13.55 H new ATOM 2427 N ALA A 183 41.184 10.896 56.877 1.00 15.31 N ATOM 2428 CA ALA A 183 41.995 9.686 56.539 1.00 17.47 C ATOM 2429 C ALA A 183 43.408 10.124 56.833 1.00 18.70 C ATOM 2430 O ALA A 183 43.761 11.280 56.616 1.00 14.80 O ATOM 2431 CB ALA A 183 41.884 9.321 55.076 1.00 17.09 C ATOM 0 H ALA A 183 41.566 11.650 56.717 1.00 15.31 H new ATOM 0 HA ALA A 183 41.703 8.906 57.036 1.00 17.47 H new ATOM 0 HB1 ALA A 183 42.422 8.534 54.897 1.00 17.09 H new ATOM 0 HB2 ALA A 183 40.957 9.135 54.858 1.00 17.09 H new ATOM 0 HB3 ALA A 183 42.201 10.060 54.533 1.00 17.09 H new ATOM 2437 N GLY A 184A 44.214 9.230 57.293 1.00 20.77 N ATOM 2438 CA GLY A 184A 45.585 9.680 57.578 1.00 21.22 C ATOM 2439 C GLY A 184A 46.207 8.998 58.740 1.00 21.36 C ATOM 2440 O GLY A 184A 45.886 7.866 59.049 1.00 22.70 O ATOM 0 H GLY A 184A 44.033 8.404 57.449 1.00 20.77 H new ATOM 0 HA2 GLY A 184A 46.135 9.531 56.793 1.00 21.22 H new ATOM 0 HA3 GLY A 184A 45.576 10.636 57.741 1.00 21.22 H new ATOM 2444 N TYR A 184 47.087 9.752 59.324 1.00 28.07 N ATOM 2445 CA TYR A 184 47.891 9.343 60.507 1.00 29.76 C ATOM 2446 C TYR A 184 47.867 10.413 61.574 1.00 29.38 C ATOM 2447 O TYR A 184 48.368 11.494 61.328 1.00 28.21 O ATOM 2448 CB TYR A 184 49.314 9.109 60.012 1.00 31.28 C ATOM 2449 CG TYR A 184 49.214 7.944 59.041 1.00 34.29 C ATOM 2450 CD1 TYR A 184 49.099 8.156 57.685 1.00 33.31 C ATOM 2451 CD2 TYR A 184 49.214 6.648 59.511 1.00 36.01 C ATOM 2452 CE1 TYR A 184 48.978 7.085 56.825 1.00 35.25 C ATOM 2453 CE2 TYR A 184 49.096 5.594 58.647 1.00 33.45 C ATOM 2454 CZ TYR A 184 48.974 5.795 57.309 1.00 35.48 C ATOM 2455 OH TYR A 184 48.863 4.688 56.494 1.00 39.02 O ATOM 0 H TYR A 184 47.262 10.550 59.057 1.00 28.07 H new ATOM 0 HA TYR A 184 47.526 8.539 60.908 1.00 29.76 H new ATOM 0 HB2 TYR A 184 49.667 9.900 59.575 1.00 31.28 H new ATOM 0 HB3 TYR A 184 49.911 8.901 60.748 1.00 31.28 H new ATOM 0 HD1 TYR A 184 49.103 9.023 57.349 1.00 33.31 H new ATOM 0 HD2 TYR A 184 49.295 6.489 60.424 1.00 36.01 H new ATOM 0 HE1 TYR A 184 48.898 7.235 55.911 1.00 35.25 H new ATOM 0 HE2 TYR A 184 49.099 4.726 58.981 1.00 33.45 H new ATOM 0 HH TYR A 184 48.993 4.914 55.695 1.00 39.02 H new ATOM 2465 N LEU A 185 47.319 10.116 62.724 1.00 31.74 N ATOM 2466 CA LEU A 185 47.289 11.168 63.799 1.00 30.00 C ATOM 2467 C LEU A 185 48.708 11.486 64.257 1.00 29.43 C ATOM 2468 O LEU A 185 48.953 12.546 64.794 1.00 27.92 O ATOM 2469 CB LEU A 185 46.458 10.688 64.985 1.00 25.21 C ATOM 2470 CG LEU A 185 44.949 10.591 64.597 1.00 27.80 C ATOM 2471 CD1 LEU A 185 44.104 10.218 65.806 1.00 28.16 C ATOM 2472 CD2 LEU A 185 44.422 11.975 64.089 1.00 30.01 C ATOM 0 H LEU A 185 46.966 9.359 62.929 1.00 31.74 H new ATOM 0 HA LEU A 185 46.884 11.971 63.437 1.00 30.00 H new ATOM 0 HB2 LEU A 185 46.777 9.821 65.280 1.00 25.21 H new ATOM 0 HB3 LEU A 185 46.567 11.299 65.731 1.00 25.21 H new ATOM 0 HG LEU A 185 44.877 9.916 63.904 1.00 27.80 H new ATOM 0 HD11 LEU A 185 43.171 10.163 65.545 1.00 28.16 H new ATOM 0 HD12 LEU A 185 44.394 9.359 66.151 1.00 28.16 H new ATOM 0 HD13 LEU A 185 44.207 10.894 66.494 1.00 28.16 H new ATOM 0 HD21 LEU A 185 43.484 11.897 63.852 1.00 30.01 H new ATOM 0 HD22 LEU A 185 44.524 12.638 64.790 1.00 30.01 H new ATOM 0 HD23 LEU A 185 44.930 12.249 63.309 1.00 30.01 H new ATOM 2484 N GLU A 186 49.626 10.579 64.048 1.00 33.48 N ATOM 2485 CA GLU A 186 51.035 10.901 64.485 1.00 35.90 C ATOM 2486 C GLU A 186 51.650 11.994 63.563 1.00 35.96 C ATOM 2487 O GLU A 186 52.667 12.573 63.896 1.00 34.76 O ATOM 2488 CB GLU A 186 51.970 9.661 64.428 1.00 34.27 C ATOM 2489 CG GLU A 186 51.755 8.746 63.193 1.00 38.95 C ATOM 2490 CD GLU A 186 50.607 7.730 63.466 0.46 38.47 C ATOM 2491 OE1 GLU A 186 50.788 6.912 64.356 0.46 41.77 O ATOM 2492 OE2 GLU A 186 49.605 7.812 62.782 0.46 37.55 O ATOM 0 H GLU A 186 49.505 9.810 63.683 1.00 33.48 H new ATOM 0 HA GLU A 186 50.971 11.210 65.402 1.00 35.90 H new ATOM 0 HB2 GLU A 186 52.891 9.965 64.434 1.00 34.27 H new ATOM 0 HB3 GLU A 186 51.839 9.135 65.232 1.00 34.27 H new ATOM 0 HG2 GLU A 186 51.540 9.286 62.416 1.00 38.95 H new ATOM 0 HG3 GLU A 186 52.575 8.270 62.989 1.00 38.95 H new ATOM 2499 N GLY A 187 51.029 12.238 62.433 1.00 37.03 N ATOM 2500 CA GLY A 187 51.564 13.280 61.510 1.00 34.32 C ATOM 2501 C GLY A 187 52.525 12.584 60.587 1.00 33.23 C ATOM 2502 O GLY A 187 52.673 11.382 60.698 1.00 33.83 O ATOM 0 H GLY A 187 50.316 11.838 62.165 1.00 37.03 H new ATOM 0 HA2 GLY A 187 50.846 13.698 61.009 1.00 34.32 H new ATOM 0 HA3 GLY A 187 52.011 13.984 62.006 1.00 34.32 H new ATOM 2506 N GLY A 188A 53.145 13.308 59.688 1.00 32.49 N ATOM 2507 CA GLY A 188A 54.126 12.653 58.754 1.00 31.47 C ATOM 2508 C GLY A 188A 53.639 12.334 57.364 1.00 26.23 C ATOM 2509 O GLY A 188A 54.346 12.543 56.394 1.00 28.94 O ATOM 0 H GLY A 188A 53.040 14.154 59.578 1.00 32.49 H new ATOM 0 HA2 GLY A 188A 54.901 13.231 58.677 1.00 31.47 H new ATOM 0 HA3 GLY A 188A 54.428 11.828 59.164 1.00 31.47 H new ATOM 2513 N LYS A 188 52.447 11.823 57.300 1.00 24.74 N ATOM 2514 CA LYS A 188 51.852 11.450 55.988 1.00 25.35 C ATOM 2515 C LYS A 188 50.507 12.140 55.809 1.00 23.44 C ATOM 2516 O LYS A 188 49.666 12.040 56.694 1.00 21.54 O ATOM 2517 CB LYS A 188 51.721 9.941 55.993 1.00 24.05 C ATOM 2518 CG LYS A 188 53.140 9.316 56.033 1.00 28.73 C ATOM 2519 CD LYS A 188 53.114 7.897 56.690 1.00 31.86 C ATOM 2520 CE LYS A 188 53.963 7.881 58.035 0.48 32.95 C ATOM 2521 NZ LYS A 188 53.317 8.641 59.151 0.48 30.85 N ATOM 0 H LYS A 188 51.944 11.673 57.981 1.00 24.74 H new ATOM 0 HA LYS A 188 52.405 11.734 55.243 1.00 25.35 H new ATOM 0 HB2 LYS A 188 51.205 9.651 56.761 1.00 24.05 H new ATOM 0 HB3 LYS A 188 51.245 9.643 55.202 1.00 24.05 H new ATOM 0 HG2 LYS A 188 53.493 9.252 55.132 1.00 28.73 H new ATOM 0 HG3 LYS A 188 53.737 9.895 56.531 1.00 28.73 H new ATOM 0 HD2 LYS A 188 52.198 7.640 56.878 1.00 31.86 H new ATOM 0 HD3 LYS A 188 53.471 7.242 56.070 1.00 31.86 H new ATOM 0 HE2 LYS A 188 54.099 6.962 58.314 0.48 32.95 H new ATOM 0 HE3 LYS A 188 54.840 8.257 57.861 0.48 32.95 H new ATOM 0 HZ1 LYS A 188 53.832 8.600 59.876 0.48 30.85 H new ATOM 0 HZ2 LYS A 188 53.213 9.491 58.910 0.48 30.85 H new ATOM 0 HZ3 LYS A 188 52.522 8.285 59.332 0.48 30.85 H new ATOM 2535 N ASP A 189 50.348 12.812 54.697 1.00 19.31 N ATOM 2536 CA ASP A 189 49.077 13.536 54.399 1.00 17.04 C ATOM 2537 C ASP A 189 49.074 13.998 52.913 1.00 19.75 C ATOM 2538 O ASP A 189 50.084 13.957 52.219 1.00 17.76 O ATOM 2539 CB ASP A 189 48.984 14.795 55.328 1.00 18.83 C ATOM 2540 CG ASP A 189 47.586 15.536 55.417 1.00 19.34 C ATOM 2541 OD1 ASP A 189 47.596 16.581 56.064 1.00 14.97 O ATOM 2542 OD2 ASP A 189 46.607 15.040 54.864 1.00 15.49 O ATOM 0 H ASP A 189 50.948 12.878 54.084 1.00 19.31 H new ATOM 0 HA ASP A 189 48.321 12.948 54.554 1.00 17.04 H new ATOM 0 HB2 ASP A 189 49.237 14.525 56.225 1.00 18.83 H new ATOM 0 HB3 ASP A 189 49.645 15.438 55.028 1.00 18.83 H new ATOM 2547 N SER A 190 47.921 14.428 52.468 1.00 17.03 N ATOM 2548 CA SER A 190 47.791 14.927 51.099 1.00 14.67 C ATOM 2549 C SER A 190 48.092 16.420 51.479 1.00 18.41 C ATOM 2550 O SER A 190 48.291 16.745 52.648 1.00 17.44 O ATOM 2551 CB SER A 190 46.343 14.668 50.592 1.00 13.55 C ATOM 2552 OG SER A 190 45.447 15.310 51.498 1.00 14.60 O ATOM 0 H SER A 190 47.196 14.445 52.930 1.00 17.03 H new ATOM 0 HA SER A 190 48.335 14.556 50.386 1.00 14.67 H new ATOM 0 HB2 SER A 190 46.229 15.018 49.695 1.00 13.55 H new ATOM 0 HB3 SER A 190 46.162 13.716 50.551 1.00 13.55 H new ATOM 0 HG SER A 190 44.985 14.730 51.894 1.00 14.60 H new ATOM 2558 N CYS A 191 48.128 17.319 50.541 1.00 16.83 N ATOM 2559 CA CYS A 191 48.425 18.720 50.869 1.00 14.33 C ATOM 2560 C CYS A 191 47.958 19.561 49.651 1.00 22.19 C ATOM 2561 O CYS A 191 47.560 18.980 48.646 1.00 19.91 O ATOM 2562 CB CYS A 191 49.925 18.761 51.107 1.00 18.56 C ATOM 2563 SG CYS A 191 50.618 20.293 51.725 1.00 13.72 S ATOM 0 H CYS A 191 47.987 17.162 49.707 1.00 16.83 H new ATOM 0 HA CYS A 191 47.979 19.075 51.654 1.00 14.33 H new ATOM 0 HB2 CYS A 191 50.149 18.056 51.734 1.00 18.56 H new ATOM 0 HB3 CYS A 191 50.367 18.547 50.271 1.00 18.56 H new ATOM 2568 N GLN A 192 48.020 20.869 49.769 1.00 23.01 N ATOM 2569 CA GLN A 192 47.590 21.773 48.648 1.00 25.60 C ATOM 2570 C GLN A 192 48.259 21.335 47.353 1.00 21.60 C ATOM 2571 O GLN A 192 49.458 21.125 47.310 1.00 16.05 O ATOM 2572 CB GLN A 192 47.959 23.259 48.999 1.00 31.11 C ATOM 2573 CG GLN A 192 49.357 23.349 49.666 1.00 40.22 C ATOM 2574 CD GLN A 192 49.672 24.823 49.988 1.00 49.38 C ATOM 2575 OE1 GLN A 192 48.999 25.450 50.794 1.00 52.96 O ATOM 2576 NE2 GLN A 192 50.673 25.407 49.391 1.00 50.87 N ATOM 0 H GLN A 192 48.301 21.278 50.471 1.00 23.01 H new ATOM 0 HA GLN A 192 46.629 21.716 48.529 1.00 25.60 H new ATOM 0 HB2 GLN A 192 47.948 23.797 48.192 1.00 31.11 H new ATOM 0 HB3 GLN A 192 47.289 23.629 49.595 1.00 31.11 H new ATOM 0 HG2 GLN A 192 49.375 22.819 50.478 1.00 40.22 H new ATOM 0 HG3 GLN A 192 50.034 22.984 49.074 1.00 40.22 H new ATOM 0 HE21 GLN A 192 51.149 24.970 48.823 1.00 50.87 H new ATOM 0 HE22 GLN A 192 50.857 26.229 49.565 1.00 50.87 H new ATOM 2585 N GLY A 193 47.470 21.206 46.319 1.00 15.67 N ATOM 2586 CA GLY A 193 48.023 20.773 45.001 1.00 18.30 C ATOM 2587 C GLY A 193 47.445 19.403 44.740 1.00 13.90 C ATOM 2588 O GLY A 193 47.206 19.052 43.614 1.00 18.74 O ATOM 0 H GLY A 193 46.623 21.354 46.328 1.00 15.67 H new ATOM 0 HA2 GLY A 193 47.775 21.395 44.299 1.00 18.30 H new ATOM 0 HA3 GLY A 193 48.992 20.743 45.024 1.00 18.30 H new ATOM 2592 N ASP A 194 47.233 18.649 45.790 1.00 10.60 N ATOM 2593 CA ASP A 194 46.647 17.257 45.693 1.00 11.22 C ATOM 2594 C ASP A 194 45.129 17.413 45.509 1.00 17.40 C ATOM 2595 O ASP A 194 44.427 16.547 45.019 1.00 18.03 O ATOM 2596 CB ASP A 194 46.954 16.470 47.009 1.00 13.12 C ATOM 2597 CG ASP A 194 48.456 16.122 47.086 1.00 13.29 C ATOM 2598 OD1 ASP A 194 48.973 16.038 48.188 1.00 16.00 O ATOM 2599 OD2 ASP A 194 49.041 15.946 46.029 1.00 20.83 O ATOM 0 H ASP A 194 47.412 18.896 46.594 1.00 10.60 H new ATOM 0 HA ASP A 194 47.030 16.766 44.949 1.00 11.22 H new ATOM 0 HB2 ASP A 194 46.699 17.002 47.779 1.00 13.12 H new ATOM 0 HB3 ASP A 194 46.425 15.657 47.038 1.00 13.12 H new ATOM 2604 N SER A 195 44.725 18.562 45.966 1.00 18.96 N ATOM 2605 CA SER A 195 43.325 19.132 45.971 1.00 18.07 C ATOM 2606 C SER A 195 42.456 18.580 44.828 1.00 15.08 C ATOM 2607 O SER A 195 42.932 18.626 43.718 1.00 8.93 O ATOM 2608 CB SER A 195 43.419 20.638 45.797 1.00 19.61 C ATOM 2609 OG SER A 195 44.576 21.031 46.543 1.00 23.54 O ATOM 0 H SER A 195 45.284 19.110 46.323 1.00 18.96 H new ATOM 0 HA SER A 195 42.912 18.882 46.812 1.00 18.07 H new ATOM 0 HB2 SER A 195 43.507 20.878 44.861 1.00 19.61 H new ATOM 0 HB3 SER A 195 42.622 21.079 46.129 1.00 19.61 H new ATOM 2614 N GLY A 196 41.272 18.100 45.111 1.00 12.29 N ATOM 2615 CA GLY A 196 40.397 17.565 44.005 1.00 9.58 C ATOM 2616 C GLY A 196 40.744 16.141 43.629 1.00 9.14 C ATOM 2617 O GLY A 196 39.962 15.441 43.009 1.00 10.50 O ATOM 0 H GLY A 196 40.933 18.060 45.900 1.00 12.29 H new ATOM 0 HA2 GLY A 196 39.469 17.606 44.283 1.00 9.58 H new ATOM 0 HA3 GLY A 196 40.485 18.133 43.224 1.00 9.58 H new ATOM 2621 N GLY A 197 41.920 15.748 44.022 1.00 14.37 N ATOM 2622 CA GLY A 197 42.432 14.392 43.739 1.00 12.44 C ATOM 2623 C GLY A 197 41.646 13.273 44.345 1.00 11.46 C ATOM 2624 O GLY A 197 40.781 13.480 45.171 1.00 13.96 O ATOM 0 H GLY A 197 42.465 16.245 44.464 1.00 14.37 H new ATOM 0 HA2 GLY A 197 42.458 14.266 42.778 1.00 12.44 H new ATOM 0 HA3 GLY A 197 43.347 14.335 44.057 1.00 12.44 H new ATOM 2628 N PRO A 198 41.959 12.093 43.899 1.00 17.16 N ATOM 2629 CA PRO A 198 41.305 10.848 44.357 1.00 15.02 C ATOM 2630 C PRO A 198 41.823 10.211 45.612 1.00 12.98 C ATOM 2631 O PRO A 198 42.976 10.398 45.943 1.00 14.02 O ATOM 2632 CB PRO A 198 41.480 9.866 43.225 1.00 16.07 C ATOM 2633 CG PRO A 198 42.932 10.259 42.722 1.00 15.06 C ATOM 2634 CD PRO A 198 42.983 11.798 42.837 1.00 12.94 C ATOM 0 HA PRO A 198 40.392 11.084 44.583 1.00 15.02 H new ATOM 0 HB2 PRO A 198 41.430 8.945 43.525 1.00 16.07 H new ATOM 0 HB3 PRO A 198 40.808 9.976 42.534 1.00 16.07 H new ATOM 0 HG2 PRO A 198 43.618 9.842 43.266 1.00 15.06 H new ATOM 0 HG3 PRO A 198 43.079 9.969 41.808 1.00 15.06 H new ATOM 0 HD2 PRO A 198 43.865 12.110 43.092 1.00 12.94 H new ATOM 0 HD3 PRO A 198 42.762 12.228 41.996 1.00 12.94 H new ATOM 2642 N VAL A 199 40.916 9.492 46.209 1.00 12.50 N ATOM 2643 CA VAL A 199 41.125 8.698 47.457 1.00 9.48 C ATOM 2644 C VAL A 199 40.379 7.391 47.062 1.00 11.30 C ATOM 2645 O VAL A 199 39.156 7.337 47.134 1.00 12.31 O ATOM 2646 CB VAL A 199 40.459 9.317 48.634 1.00 7.66 C ATOM 2647 CG1 VAL A 199 40.770 8.420 49.886 1.00 9.58 C ATOM 2648 CG2 VAL A 199 41.071 10.720 48.783 1.00 15.22 C ATOM 0 H VAL A 199 40.113 9.430 45.908 1.00 12.50 H new ATOM 0 HA VAL A 199 42.055 8.604 47.717 1.00 9.48 H new ATOM 0 HB VAL A 199 39.496 9.386 48.540 1.00 7.66 H new ATOM 0 HG11 VAL A 199 40.346 8.801 50.671 1.00 9.58 H new ATOM 0 HG12 VAL A 199 40.427 7.525 49.737 1.00 9.58 H new ATOM 0 HG13 VAL A 199 41.729 8.379 50.025 1.00 9.58 H new ATOM 0 HG21 VAL A 199 40.668 11.170 49.542 1.00 15.22 H new ATOM 0 HG22 VAL A 199 42.028 10.643 48.924 1.00 15.22 H new ATOM 0 HG23 VAL A 199 40.904 11.233 47.977 1.00 15.22 H new ATOM 2658 N VAL A 200 41.128 6.390 46.674 1.00 7.79 N ATOM 2659 CA VAL A 200 40.500 5.115 46.253 1.00 8.24 C ATOM 2660 C VAL A 200 40.706 4.029 47.294 1.00 7.42 C ATOM 2661 O VAL A 200 41.836 3.851 47.707 1.00 8.42 O ATOM 2662 CB VAL A 200 41.148 4.785 44.812 1.00 6.04 C ATOM 2663 CG1 VAL A 200 40.621 3.477 44.169 1.00 9.84 C ATOM 2664 CG2 VAL A 200 40.753 5.911 43.825 1.00 3.71 C ATOM 0 H VAL A 200 41.987 6.404 46.639 1.00 7.79 H new ATOM 0 HA VAL A 200 39.535 5.175 46.176 1.00 8.24 H new ATOM 0 HB VAL A 200 42.102 4.701 44.965 1.00 6.04 H new ATOM 0 HG11 VAL A 200 41.051 3.342 43.310 1.00 9.84 H new ATOM 0 HG12 VAL A 200 40.820 2.727 44.751 1.00 9.84 H new ATOM 0 HG13 VAL A 200 39.661 3.542 44.043 1.00 9.84 H new ATOM 0 HG21 VAL A 200 41.136 5.726 42.953 1.00 3.71 H new ATOM 0 HG22 VAL A 200 39.787 5.953 43.751 1.00 3.71 H new ATOM 0 HG23 VAL A 200 41.089 6.760 44.152 1.00 3.71 H new ATOM 2674 N CYS A 201 39.631 3.367 47.673 1.00 10.88 N ATOM 2675 CA CYS A 201 39.672 2.275 48.671 1.00 17.09 C ATOM 2676 C CYS A 201 38.888 1.155 48.020 1.00 18.11 C ATOM 2677 O CYS A 201 37.753 1.386 47.620 1.00 20.24 O ATOM 2678 CB CYS A 201 38.992 2.759 49.941 1.00 17.10 C ATOM 2679 SG CYS A 201 39.173 4.539 50.244 1.00 23.27 S ATOM 0 H CYS A 201 38.844 3.528 47.366 1.00 10.88 H new ATOM 0 HA CYS A 201 40.567 1.990 48.913 1.00 17.09 H new ATOM 0 HB2 CYS A 201 38.048 2.543 49.893 1.00 17.10 H new ATOM 0 HB3 CYS A 201 39.356 2.273 50.697 1.00 17.10 H new ATOM 2684 N SER A 202 39.503 -0.001 47.925 1.00 19.98 N ATOM 2685 CA SER A 202 38.865 -1.225 47.305 1.00 19.71 C ATOM 2686 C SER A 202 38.309 -1.103 45.872 1.00 20.56 C ATOM 2687 O SER A 202 37.325 -1.731 45.523 1.00 20.73 O ATOM 2688 CB SER A 202 37.738 -1.664 48.217 1.00 23.29 C ATOM 2689 OG SER A 202 38.342 -1.749 49.521 1.00 26.02 O ATOM 0 H SER A 202 40.304 -0.134 48.208 1.00 19.98 H new ATOM 0 HA SER A 202 39.592 -1.862 47.217 1.00 19.71 H new ATOM 0 HB2 SER A 202 37.007 -1.026 48.207 1.00 23.29 H new ATOM 0 HB3 SER A 202 37.373 -2.519 47.941 1.00 23.29 H new ATOM 0 HG SER A 202 37.765 -1.989 50.082 1.00 26.02 H new ATOM 2695 N GLY A 203 38.930 -0.304 45.064 1.00 19.32 N ATOM 2696 CA GLY A 203 38.433 -0.158 43.668 1.00 16.25 C ATOM 2697 C GLY A 203 37.438 0.971 43.415 1.00 20.93 C ATOM 2698 O GLY A 203 37.093 1.211 42.269 1.00 23.99 O ATOM 0 H GLY A 203 39.623 0.164 45.263 1.00 19.32 H new ATOM 0 HA2 GLY A 203 39.197 -0.025 43.086 1.00 16.25 H new ATOM 0 HA3 GLY A 203 38.017 -0.994 43.405 1.00 16.25 H new ATOM 2702 N LYS A 204 36.998 1.645 44.443 1.00 20.24 N ATOM 2703 CA LYS A 204 36.016 2.739 44.226 1.00 17.69 C ATOM 2704 C LYS A 204 36.602 4.034 44.713 1.00 16.24 C ATOM 2705 O LYS A 204 37.416 4.077 45.623 1.00 10.15 O ATOM 2706 CB LYS A 204 34.752 2.483 45.033 1.00 23.37 C ATOM 2707 CG LYS A 204 34.357 1.012 45.052 1.00 28.33 C ATOM 2708 CD LYS A 204 33.791 0.621 43.704 1.00 32.83 C ATOM 2709 CE LYS A 204 33.797 -0.901 43.589 1.00 35.34 C ATOM 2710 NZ LYS A 204 32.990 -1.267 42.385 1.00 37.48 N ATOM 0 H LYS A 204 37.230 1.511 45.260 1.00 20.24 H new ATOM 0 HA LYS A 204 35.808 2.779 43.279 1.00 17.69 H new ATOM 0 HB2 LYS A 204 34.886 2.790 45.943 1.00 23.37 H new ATOM 0 HB3 LYS A 204 34.024 3.005 44.661 1.00 23.37 H new ATOM 0 HG2 LYS A 204 35.129 0.463 45.260 1.00 28.33 H new ATOM 0 HG3 LYS A 204 33.700 0.853 45.747 1.00 28.33 H new ATOM 0 HD2 LYS A 204 32.888 0.961 43.608 1.00 32.83 H new ATOM 0 HD3 LYS A 204 34.319 1.013 42.991 1.00 32.83 H new ATOM 0 HE2 LYS A 204 34.705 -1.233 43.504 1.00 35.34 H new ATOM 0 HE3 LYS A 204 33.421 -1.304 44.387 1.00 35.34 H new ATOM 0 HZ1 LYS A 204 32.977 -2.152 42.294 1.00 37.48 H new ATOM 0 HZ2 LYS A 204 32.158 -0.967 42.483 1.00 37.48 H new ATOM 0 HZ3 LYS A 204 33.354 -0.900 41.661 1.00 37.48 H new ATOM 2724 N LEU A 209 36.106 5.052 44.080 1.00 13.46 N ATOM 2725 CA LEU A 209 36.532 6.423 44.407 1.00 15.43 C ATOM 2726 C LEU A 209 35.654 6.678 45.627 1.00 18.05 C ATOM 2727 O LEU A 209 34.447 6.621 45.482 1.00 16.33 O ATOM 2728 CB LEU A 209 36.152 7.371 43.272 1.00 17.07 C ATOM 2729 CG LEU A 209 36.556 8.823 43.611 1.00 15.32 C ATOM 2730 CD1 LEU A 209 38.084 8.994 43.671 1.00 16.16 C ATOM 2731 CD2 LEU A 209 35.955 9.721 42.527 1.00 18.74 C ATOM 0 H LEU A 209 35.520 4.996 43.453 1.00 13.46 H new ATOM 0 HA LEU A 209 37.484 6.545 44.548 1.00 15.43 H new ATOM 0 HB2 LEU A 209 36.589 7.092 42.452 1.00 17.07 H new ATOM 0 HB3 LEU A 209 35.196 7.325 43.113 1.00 17.07 H new ATOM 0 HG LEU A 209 36.221 9.062 44.489 1.00 15.32 H new ATOM 0 HD11 LEU A 209 38.299 9.915 43.886 1.00 16.16 H new ATOM 0 HD12 LEU A 209 38.449 8.410 44.354 1.00 16.16 H new ATOM 0 HD13 LEU A 209 38.470 8.765 42.811 1.00 16.16 H new ATOM 0 HD21 LEU A 209 36.188 10.645 42.706 1.00 18.74 H new ATOM 0 HD22 LEU A 209 36.306 9.462 41.661 1.00 18.74 H new ATOM 0 HD23 LEU A 209 34.990 9.626 42.526 1.00 18.74 H new ATOM 2743 N GLN A 210 36.259 6.932 46.757 1.00 15.34 N ATOM 2744 CA GLN A 210 35.545 7.194 48.013 1.00 15.89 C ATOM 2745 C GLN A 210 35.752 8.624 48.497 1.00 12.74 C ATOM 2746 O GLN A 210 34.870 9.071 49.199 1.00 10.43 O ATOM 2747 CB GLN A 210 36.038 6.199 49.111 1.00 18.59 C ATOM 2748 CG GLN A 210 35.618 4.727 48.774 1.00 20.23 C ATOM 2749 CD GLN A 210 34.144 4.435 49.032 1.00 21.34 C ATOM 2750 OE1 GLN A 210 33.329 5.340 49.464 1.00 23.32 O flip ATOM 2751 NE2 GLN A 210 33.690 3.327 48.835 1.00 19.68 N flip ATOM 0 H GLN A 210 37.115 6.961 46.835 1.00 15.34 H new ATOM 0 HA GLN A 210 34.598 7.070 47.846 1.00 15.89 H new ATOM 0 HB2 GLN A 210 37.003 6.252 49.189 1.00 18.59 H new ATOM 0 HB3 GLN A 210 35.669 6.454 49.971 1.00 18.59 H new ATOM 0 HG2 GLN A 210 35.816 4.548 47.842 1.00 20.23 H new ATOM 0 HG3 GLN A 210 36.157 4.117 49.301 1.00 20.23 H new ATOM 0 HE21 GLN A 210 34.201 2.698 48.547 1.00 19.68 H new ATOM 0 HE22 GLN A 210 32.857 3.171 48.983 1.00 19.68 H new ATOM 2760 N GLY A 211 36.840 9.303 48.179 1.00 8.44 N ATOM 2761 CA GLY A 211 37.014 10.698 48.663 1.00 12.69 C ATOM 2762 C GLY A 211 37.665 11.571 47.634 1.00 13.91 C ATOM 2763 O GLY A 211 38.181 11.077 46.666 1.00 5.99 O ATOM 0 H GLY A 211 37.485 9.000 47.697 1.00 8.44 H new ATOM 0 HA2 GLY A 211 36.149 11.068 48.900 1.00 12.69 H new ATOM 0 HA3 GLY A 211 37.552 10.695 49.470 1.00 12.69 H new ATOM 2767 N ILE A 212 37.607 12.850 47.893 1.00 15.04 N ATOM 2768 CA ILE A 212 38.214 13.862 46.996 1.00 14.74 C ATOM 2769 C ILE A 212 39.141 14.623 47.962 1.00 17.13 C ATOM 2770 O ILE A 212 38.693 14.873 49.063 1.00 8.04 O ATOM 2771 CB ILE A 212 37.088 14.775 46.441 1.00 18.04 C ATOM 2772 CG1 ILE A 212 36.137 13.903 45.536 1.00 20.59 C ATOM 2773 CG2 ILE A 212 37.681 15.962 45.603 1.00 16.39 C ATOM 2774 CD1 ILE A 212 34.974 14.766 44.990 1.00 19.21 C ATOM 0 H ILE A 212 37.221 13.180 48.587 1.00 15.04 H new ATOM 0 HA ILE A 212 38.684 13.509 46.224 1.00 14.74 H new ATOM 0 HB ILE A 212 36.594 15.156 47.184 1.00 18.04 H new ATOM 0 HG12 ILE A 212 36.640 13.524 44.799 1.00 20.59 H new ATOM 0 HG13 ILE A 212 35.783 13.160 46.050 1.00 20.59 H new ATOM 0 HG21 ILE A 212 36.958 16.515 45.269 1.00 16.39 H new ATOM 0 HG22 ILE A 212 38.263 16.496 46.166 1.00 16.39 H new ATOM 0 HG23 ILE A 212 38.189 15.609 44.856 1.00 16.39 H new ATOM 0 HD11 ILE A 212 34.397 14.218 44.435 1.00 19.21 H new ATOM 0 HD12 ILE A 212 34.462 15.126 45.731 1.00 19.21 H new ATOM 0 HD13 ILE A 212 35.333 15.495 44.461 1.00 19.21 H new ATOM 2786 N VAL A 213 40.349 14.973 47.598 1.00 13.11 N ATOM 2787 CA VAL A 213 41.258 15.718 48.527 1.00 13.66 C ATOM 2788 C VAL A 213 40.582 17.107 48.736 1.00 16.46 C ATOM 2789 O VAL A 213 40.455 17.874 47.791 1.00 12.78 O ATOM 2790 CB VAL A 213 42.683 15.830 47.842 1.00 14.54 C ATOM 2791 CG1 VAL A 213 43.689 16.568 48.798 1.00 12.38 C ATOM 2792 CG2 VAL A 213 43.261 14.411 47.537 1.00 13.30 C ATOM 0 H VAL A 213 40.688 14.803 46.826 1.00 13.11 H new ATOM 0 HA VAL A 213 41.390 15.284 49.385 1.00 13.66 H new ATOM 0 HB VAL A 213 42.575 16.328 47.016 1.00 14.54 H new ATOM 0 HG11 VAL A 213 44.557 16.631 48.369 1.00 12.38 H new ATOM 0 HG12 VAL A 213 43.358 17.460 48.990 1.00 12.38 H new ATOM 0 HG13 VAL A 213 43.774 16.070 49.626 1.00 12.38 H new ATOM 0 HG21 VAL A 213 44.132 14.499 47.119 1.00 13.30 H new ATOM 0 HG22 VAL A 213 43.349 13.913 48.364 1.00 13.30 H new ATOM 0 HG23 VAL A 213 42.661 13.939 46.938 1.00 13.30 H new ATOM 2802 N SER A 214 40.183 17.390 49.950 1.00 15.00 N ATOM 2803 CA SER A 214 39.504 18.693 50.274 1.00 15.33 C ATOM 2804 C SER A 214 40.311 19.608 51.208 1.00 14.68 C ATOM 2805 O SER A 214 40.852 20.585 50.739 1.00 15.03 O ATOM 2806 CB SER A 214 38.109 18.313 50.883 1.00 10.36 C ATOM 2807 OG SER A 214 37.341 19.479 51.143 1.00 13.06 O ATOM 0 H SER A 214 40.281 16.863 50.623 1.00 15.00 H new ATOM 0 HA SER A 214 39.414 19.223 49.467 1.00 15.33 H new ATOM 0 HB2 SER A 214 37.630 17.734 50.269 1.00 10.36 H new ATOM 0 HB3 SER A 214 38.235 17.813 51.705 1.00 10.36 H new ATOM 0 HG SER A 214 37.206 19.892 50.424 1.00 13.06 H new ATOM 2813 N TRP A 215 40.409 19.330 52.483 1.00 11.56 N ATOM 2814 CA TRP A 215 41.199 20.267 53.332 1.00 15.97 C ATOM 2815 C TRP A 215 41.919 19.635 54.497 1.00 13.69 C ATOM 2816 O TRP A 215 41.847 18.450 54.733 1.00 10.73 O ATOM 2817 CB TRP A 215 40.271 21.395 53.882 1.00 14.63 C ATOM 2818 CG TRP A 215 39.026 20.968 54.637 1.00 16.54 C ATOM 2819 CD1 TRP A 215 37.873 20.504 54.078 1.00 18.53 C ATOM 2820 CD2 TRP A 215 38.879 21.012 55.975 1.00 14.56 C ATOM 2821 NE1 TRP A 215 37.083 20.296 55.115 1.00 16.64 N ATOM 2822 CE2 TRP A 215 37.596 20.571 56.308 1.00 17.96 C ATOM 2823 CE3 TRP A 215 39.771 21.410 56.968 1.00 14.62 C ATOM 2824 CZ2 TRP A 215 37.215 20.528 57.636 1.00 15.05 C ATOM 2825 CZ3 TRP A 215 39.379 21.372 58.304 1.00 11.59 C ATOM 2826 CH2 TRP A 215 38.102 20.932 58.632 1.00 17.89 C ATOM 0 H TRP A 215 40.059 18.654 52.883 1.00 11.56 H new ATOM 0 HA TRP A 215 41.887 20.612 52.742 1.00 15.97 H new ATOM 0 HB2 TRP A 215 40.799 21.958 54.469 1.00 14.63 H new ATOM 0 HB3 TRP A 215 39.994 21.946 53.134 1.00 14.63 H new ATOM 0 HD1 TRP A 215 37.686 20.366 53.177 1.00 18.53 H new ATOM 0 HE1 TRP A 215 36.281 19.999 55.023 1.00 16.64 H new ATOM 0 HE3 TRP A 215 40.625 21.700 56.740 1.00 14.62 H new ATOM 0 HZ2 TRP A 215 36.365 20.229 57.865 1.00 15.05 H new ATOM 0 HZ3 TRP A 215 39.968 21.639 58.972 1.00 11.59 H new ATOM 0 HH2 TRP A 215 37.837 20.907 59.523 1.00 17.89 H new ATOM 2837 N GLY A 216 42.628 20.444 55.209 1.00 17.45 N ATOM 2838 CA GLY A 216 43.378 19.914 56.392 1.00 21.03 C ATOM 2839 C GLY A 216 43.889 21.117 57.144 1.00 24.55 C ATOM 2840 O GLY A 216 43.543 22.212 56.757 1.00 28.71 O ATOM 0 H GLY A 216 42.713 21.287 55.063 1.00 17.45 H new ATOM 0 HA2 GLY A 216 42.800 19.374 56.954 1.00 21.03 H new ATOM 0 HA3 GLY A 216 44.111 19.345 56.110 1.00 21.03 H new ATOM 2844 N SER A 217 44.672 20.920 58.171 1.00 26.05 N ATOM 2845 CA SER A 217 45.223 22.072 58.958 1.00 26.56 C ATOM 2846 C SER A 217 46.682 21.871 58.565 1.00 22.72 C ATOM 2847 O SER A 217 47.232 20.862 58.962 1.00 18.64 O ATOM 2848 CB SER A 217 45.077 21.870 60.465 1.00 29.09 C ATOM 2849 OG SER A 217 45.633 23.049 61.035 1.00 30.68 O ATOM 0 H SER A 217 44.914 20.144 58.453 1.00 26.05 H new ATOM 0 HA SER A 217 44.811 22.933 58.788 1.00 26.56 H new ATOM 0 HB2 SER A 217 44.147 21.759 60.719 1.00 29.09 H new ATOM 0 HB3 SER A 217 45.549 21.077 60.763 1.00 29.09 H new ATOM 0 HG SER A 217 45.584 23.006 61.872 1.00 30.68 H new ATOM 2855 N GLY A 219 47.257 22.783 57.835 1.00 24.73 N ATOM 2856 CA GLY A 219 48.682 22.624 57.409 1.00 28.43 C ATOM 2857 C GLY A 219 48.727 21.265 56.705 1.00 30.44 C ATOM 2858 O GLY A 219 47.718 20.833 56.153 1.00 32.00 O ATOM 0 H GLY A 219 46.874 23.503 57.562 1.00 24.73 H new ATOM 0 HA2 GLY A 219 48.954 23.339 56.813 1.00 28.43 H new ATOM 0 HA3 GLY A 219 49.282 22.647 58.171 1.00 28.43 H new ATOM 2862 N CYS A 220 49.861 20.635 56.710 1.00 29.49 N ATOM 2863 CA CYS A 220 49.972 19.309 56.069 1.00 26.13 C ATOM 2864 C CYS A 220 50.818 18.437 56.977 1.00 28.66 C ATOM 2865 O CYS A 220 51.782 18.875 57.573 1.00 30.34 O ATOM 2866 CB CYS A 220 50.644 19.434 54.708 1.00 26.00 C ATOM 2867 SG CYS A 220 49.731 20.450 53.531 1.00 20.92 S ATOM 0 H CYS A 220 50.585 20.931 57.067 1.00 29.49 H new ATOM 0 HA CYS A 220 49.092 18.923 55.937 1.00 26.13 H new ATOM 0 HB2 CYS A 220 51.530 19.811 54.828 1.00 26.00 H new ATOM 0 HB3 CYS A 220 50.762 18.547 54.333 1.00 26.00 H new ATOM 2872 N ALA A 221A 50.426 17.210 57.055 1.00 27.89 N ATOM 2873 CA ALA A 221A 51.119 16.182 57.872 1.00 25.35 C ATOM 2874 C ALA A 221A 51.374 16.550 59.304 1.00 25.39 C ATOM 2875 O ALA A 221A 52.332 16.041 59.855 1.00 21.50 O ATOM 2876 CB ALA A 221A 52.474 15.843 57.194 1.00 26.18 C ATOM 0 H ALA A 221A 49.737 16.910 56.637 1.00 27.89 H new ATOM 0 HA ALA A 221A 50.513 15.425 57.906 1.00 25.35 H new ATOM 0 HB1 ALA A 221A 52.939 15.172 57.717 1.00 26.18 H new ATOM 0 HB2 ALA A 221A 52.313 15.501 56.301 1.00 26.18 H new ATOM 0 HB3 ALA A 221A 53.018 16.644 57.140 1.00 26.18 H new ATOM 2882 N GLN A 221 50.539 17.379 59.860 1.00 21.51 N ATOM 2883 CA GLN A 221 50.744 17.767 61.290 1.00 23.59 C ATOM 2884 C GLN A 221 50.067 16.702 62.154 1.00 25.10 C ATOM 2885 O GLN A 221 49.087 16.063 61.787 1.00 16.64 O ATOM 2886 CB GLN A 221 50.090 19.146 61.646 1.00 28.70 C ATOM 2887 CG GLN A 221 50.726 20.339 60.851 1.00 30.16 C ATOM 2888 CD GLN A 221 52.168 20.481 61.309 0.10 30.82 C ATOM 2889 OE1 GLN A 221 52.431 20.702 62.473 0.10 31.39 O ATOM 2890 NE2 GLN A 221 53.133 20.358 60.456 0.10 32.12 N ATOM 0 H GLN A 221 49.860 17.736 59.471 1.00 21.51 H new ATOM 0 HA GLN A 221 51.698 17.840 61.447 1.00 23.59 H new ATOM 0 HB2 GLN A 221 49.139 19.107 61.458 1.00 28.70 H new ATOM 0 HB3 GLN A 221 50.185 19.309 62.598 1.00 28.70 H new ATOM 0 HG2 GLN A 221 50.687 20.171 59.896 1.00 30.16 H new ATOM 0 HG3 GLN A 221 50.234 21.159 61.016 1.00 30.16 H new ATOM 0 HE21 GLN A 221 52.958 20.201 59.629 0.10 32.12 H new ATOM 0 HE22 GLN A 221 53.949 20.433 60.716 0.10 32.12 H new ATOM 2899 N LYS A 222 50.662 16.586 63.306 1.00 27.68 N ATOM 2900 CA LYS A 222 50.227 15.628 64.341 1.00 27.58 C ATOM 2901 C LYS A 222 48.825 16.054 64.751 1.00 29.17 C ATOM 2902 O LYS A 222 48.564 17.222 64.932 1.00 30.07 O ATOM 2903 CB LYS A 222 51.249 15.728 65.498 0.36 28.22 C ATOM 2904 CG LYS A 222 50.893 14.804 66.674 0.36 29.70 C ATOM 2905 CD LYS A 222 51.959 14.993 67.774 0.36 32.75 C ATOM 2906 CE LYS A 222 51.629 14.104 68.993 0.36 35.56 C ATOM 2907 NZ LYS A 222 52.650 14.327 70.065 0.36 36.06 N ATOM 0 H LYS A 222 51.343 17.059 63.535 1.00 27.68 H new ATOM 0 HA LYS A 222 50.195 14.704 64.047 1.00 27.58 H new ATOM 0 HB2 LYS A 222 52.132 15.501 65.167 0.36 28.22 H new ATOM 0 HB3 LYS A 222 51.291 16.645 65.811 0.36 28.22 H new ATOM 0 HG2 LYS A 222 50.011 15.017 67.017 0.36 29.70 H new ATOM 0 HG3 LYS A 222 50.868 13.879 66.382 0.36 29.70 H new ATOM 0 HD2 LYS A 222 52.836 14.765 67.427 0.36 32.75 H new ATOM 0 HD3 LYS A 222 51.994 15.924 68.044 0.36 32.75 H new ATOM 0 HE2 LYS A 222 50.743 14.314 69.328 0.36 35.56 H new ATOM 0 HE3 LYS A 222 51.620 13.170 68.731 0.36 35.56 H new ATOM 0 HZ1 LYS A 222 52.460 13.815 70.768 0.36 36.06 H new ATOM 0 HZ2 LYS A 222 53.457 14.117 69.755 0.36 36.06 H new ATOM 0 HZ3 LYS A 222 52.641 15.182 70.311 0.36 36.06 H new ATOM 2921 N ASN A 223 47.974 15.095 64.892 1.00 28.76 N ATOM 2922 CA ASN A 223 46.551 15.286 65.287 1.00 29.61 C ATOM 2923 C ASN A 223 45.732 16.139 64.340 1.00 29.64 C ATOM 2924 O ASN A 223 44.641 16.538 64.711 1.00 25.34 O ATOM 2925 CB ASN A 223 46.478 15.907 66.690 1.00 33.46 C ATOM 2926 CG ASN A 223 46.953 14.879 67.748 1.00 39.65 C ATOM 2927 OD1 ASN A 223 46.495 13.753 67.813 1.00 42.48 O ATOM 2928 ND2 ASN A 223 47.867 15.189 68.619 1.00 39.75 N ATOM 0 H ASN A 223 48.181 14.270 64.764 1.00 28.76 H new ATOM 0 HA ASN A 223 46.162 14.398 65.263 1.00 29.61 H new ATOM 0 HB2 ASN A 223 47.032 16.703 66.729 1.00 33.46 H new ATOM 0 HB3 ASN A 223 45.569 16.184 66.883 1.00 33.46 H new ATOM 0 HD21 ASN A 223 48.119 14.610 69.203 1.00 39.75 H new ATOM 0 HD22 ASN A 223 48.220 15.973 68.612 1.00 39.75 H new ATOM 2935 N LYS A 224 46.234 16.400 63.159 1.00 31.49 N ATOM 2936 CA LYS A 224 45.516 17.224 62.128 1.00 29.68 C ATOM 2937 C LYS A 224 45.511 16.402 60.828 1.00 28.72 C ATOM 2938 O LYS A 224 46.217 16.762 59.888 1.00 28.17 O ATOM 2939 CB LYS A 224 46.252 18.559 61.854 1.00 31.56 C ATOM 2940 CG LYS A 224 46.222 19.520 63.053 1.00 32.15 C ATOM 2941 CD LYS A 224 44.749 19.943 63.318 1.00 33.21 C ATOM 2942 CE LYS A 224 44.600 20.942 64.440 1.00 33.50 C ATOM 2943 NZ LYS A 224 43.149 21.195 64.691 1.00 31.65 N ATOM 0 H LYS A 224 47.004 16.117 62.901 1.00 31.49 H new ATOM 0 HA LYS A 224 44.623 17.432 62.444 1.00 29.68 H new ATOM 0 HB2 LYS A 224 47.174 18.372 61.619 1.00 31.56 H new ATOM 0 HB3 LYS A 224 45.847 18.994 61.087 1.00 31.56 H new ATOM 0 HG2 LYS A 224 46.594 19.089 63.838 1.00 32.15 H new ATOM 0 HG3 LYS A 224 46.768 20.301 62.872 1.00 32.15 H new ATOM 0 HD2 LYS A 224 44.378 20.322 62.506 1.00 33.21 H new ATOM 0 HD3 LYS A 224 44.226 19.153 63.527 1.00 33.21 H new ATOM 0 HE2 LYS A 224 45.024 20.605 65.245 1.00 33.50 H new ATOM 0 HE3 LYS A 224 45.048 21.771 64.210 1.00 33.50 H new ATOM 0 HZ1 LYS A 224 43.059 21.739 65.390 1.00 31.65 H new ATOM 0 HZ2 LYS A 224 42.785 21.573 63.972 1.00 31.65 H new ATOM 0 HZ3 LYS A 224 42.738 20.424 64.861 1.00 31.65 H new ATOM 2957 N PRO A 225 44.743 15.324 60.805 1.00 24.50 N ATOM 2958 CA PRO A 225 44.616 14.455 59.590 1.00 20.45 C ATOM 2959 C PRO A 225 43.962 15.202 58.393 1.00 18.45 C ATOM 2960 O PRO A 225 43.436 16.280 58.539 1.00 18.18 O ATOM 2961 CB PRO A 225 43.810 13.235 60.095 1.00 21.08 C ATOM 2962 CG PRO A 225 42.938 13.821 61.254 1.00 23.64 C ATOM 2963 CD PRO A 225 43.896 14.830 61.946 1.00 23.65 C ATOM 0 HA PRO A 225 45.472 14.184 59.223 1.00 20.45 H new ATOM 0 HB2 PRO A 225 43.260 12.856 59.392 1.00 21.08 H new ATOM 0 HB3 PRO A 225 44.394 12.528 60.411 1.00 21.08 H new ATOM 0 HG2 PRO A 225 42.141 14.258 60.916 1.00 23.64 H new ATOM 0 HG3 PRO A 225 42.644 13.129 61.866 1.00 23.64 H new ATOM 0 HD2 PRO A 225 43.410 15.553 62.372 1.00 23.65 H new ATOM 0 HD3 PRO A 225 44.432 14.404 62.633 1.00 23.65 H new ATOM 2971 N GLY A 226 44.009 14.603 57.232 1.00 16.80 N ATOM 2972 CA GLY A 226 43.410 15.267 56.024 1.00 11.44 C ATOM 2973 C GLY A 226 41.911 15.034 56.042 1.00 11.31 C ATOM 2974 O GLY A 226 41.475 14.034 56.566 1.00 11.72 O ATOM 0 H GLY A 226 44.365 13.833 57.089 1.00 16.80 H new ATOM 0 HA2 GLY A 226 43.604 16.217 56.031 1.00 11.44 H new ATOM 0 HA3 GLY A 226 43.798 14.904 55.212 1.00 11.44 H new ATOM 2978 N VAL A 227 41.159 15.938 55.468 1.00 12.20 N ATOM 2979 CA VAL A 227 39.705 15.803 55.437 1.00 8.01 C ATOM 2980 C VAL A 227 39.407 15.654 53.962 1.00 9.60 C ATOM 2981 O VAL A 227 39.951 16.351 53.114 1.00 8.62 O ATOM 2982 CB VAL A 227 39.144 17.107 56.136 1.00 9.85 C ATOM 2983 CG1 VAL A 227 37.675 16.945 56.492 1.00 7.91 C ATOM 2984 CG2 VAL A 227 39.892 17.361 57.502 1.00 12.45 C ATOM 0 H VAL A 227 41.462 16.646 55.085 1.00 12.20 H new ATOM 0 HA VAL A 227 39.300 15.056 55.905 1.00 8.01 H new ATOM 0 HB VAL A 227 39.275 17.838 55.511 1.00 9.85 H new ATOM 0 HG11 VAL A 227 37.354 17.755 56.918 1.00 7.91 H new ATOM 0 HG12 VAL A 227 37.163 16.780 55.685 1.00 7.91 H new ATOM 0 HG13 VAL A 227 37.570 16.197 57.100 1.00 7.91 H new ATOM 0 HG21 VAL A 227 39.539 18.162 57.920 1.00 12.45 H new ATOM 0 HG22 VAL A 227 39.756 16.603 58.091 1.00 12.45 H new ATOM 0 HG23 VAL A 227 40.841 17.475 57.335 1.00 12.45 H new ATOM 2994 N TYR A 228 38.540 14.733 53.717 1.00 12.80 N ATOM 2995 CA TYR A 228 38.087 14.378 52.334 1.00 11.26 C ATOM 2996 C TYR A 228 36.599 14.484 52.097 1.00 12.67 C ATOM 2997 O TYR A 228 35.831 14.321 53.014 1.00 12.60 O ATOM 2998 CB TYR A 228 38.542 12.921 52.080 1.00 12.08 C ATOM 2999 CG TYR A 228 40.059 12.865 52.299 1.00 12.84 C ATOM 3000 CD1 TYR A 228 40.866 13.104 51.228 1.00 14.47 C ATOM 3001 CD2 TYR A 228 40.630 12.626 53.543 1.00 13.01 C ATOM 3002 CE1 TYR A 228 42.212 13.117 51.381 1.00 15.27 C ATOM 3003 CE2 TYR A 228 42.003 12.650 53.692 1.00 14.76 C ATOM 3004 CZ TYR A 228 42.788 12.903 52.597 1.00 13.87 C ATOM 3005 OH TYR A 228 44.162 12.971 52.617 1.00 12.41 O ATOM 0 H TYR A 228 38.166 14.264 54.333 1.00 12.80 H new ATOM 0 HA TYR A 228 38.481 15.021 51.724 1.00 11.26 H new ATOM 0 HB2 TYR A 228 38.088 12.312 52.683 1.00 12.08 H new ATOM 0 HB3 TYR A 228 38.318 12.646 51.177 1.00 12.08 H new ATOM 0 HD1 TYR A 228 40.492 13.258 50.390 1.00 14.47 H new ATOM 0 HD2 TYR A 228 40.087 12.450 54.277 1.00 13.01 H new ATOM 0 HE1 TYR A 228 42.753 13.275 50.642 1.00 15.27 H new ATOM 0 HE2 TYR A 228 42.390 12.497 54.524 1.00 14.76 H new ATOM 0 HH TYR A 228 44.463 12.784 51.855 1.00 12.41 H new ATOM 3015 N THR A 229 36.197 14.751 50.875 1.00 6.96 N ATOM 3016 CA THR A 229 34.716 14.841 50.612 1.00 11.44 C ATOM 3017 C THR A 229 34.243 13.380 50.581 1.00 6.82 C ATOM 3018 O THR A 229 34.881 12.571 49.973 1.00 10.35 O ATOM 3019 CB THR A 229 34.475 15.481 49.254 1.00 9.59 C ATOM 3020 OG1 THR A 229 35.124 16.748 49.229 1.00 11.92 O ATOM 3021 CG2 THR A 229 33.017 15.809 48.983 1.00 9.87 C ATOM 0 H THR A 229 36.709 14.882 50.196 1.00 6.96 H new ATOM 0 HA THR A 229 34.251 15.372 51.277 1.00 11.44 H new ATOM 0 HB THR A 229 34.798 14.840 48.602 1.00 9.59 H new ATOM 0 HG1 THR A 229 34.901 17.163 48.534 1.00 11.92 H new ATOM 0 HG21 THR A 229 32.934 16.213 48.105 1.00 9.87 H new ATOM 0 HG22 THR A 229 32.491 14.995 49.016 1.00 9.87 H new ATOM 0 HG23 THR A 229 32.694 16.429 49.655 1.00 9.87 H new ATOM 3029 N LYS A 230 33.129 13.085 51.188 1.00 10.07 N ATOM 3030 CA LYS A 230 32.565 11.710 51.235 1.00 13.47 C ATOM 3031 C LYS A 230 31.731 11.469 49.958 1.00 13.98 C ATOM 3032 O LYS A 230 30.532 11.684 49.946 1.00 14.07 O ATOM 3033 CB LYS A 230 31.728 11.660 52.508 1.00 18.42 C ATOM 3034 CG LYS A 230 31.391 10.256 53.035 1.00 20.10 C ATOM 3035 CD LYS A 230 30.669 10.472 54.417 1.00 23.21 C ATOM 3036 CE LYS A 230 30.475 9.135 55.107 1.00 25.54 C ATOM 3037 NZ LYS A 230 29.937 9.381 56.465 1.00 31.03 N ATOM 0 H LYS A 230 32.650 13.668 51.600 1.00 10.07 H new ATOM 0 HA LYS A 230 33.238 11.012 51.257 1.00 13.47 H new ATOM 0 HB2 LYS A 230 32.200 12.143 53.204 1.00 18.42 H new ATOM 0 HB3 LYS A 230 30.897 12.134 52.347 1.00 18.42 H new ATOM 0 HG2 LYS A 230 30.817 9.781 52.414 1.00 20.10 H new ATOM 0 HG3 LYS A 230 32.195 9.724 53.143 1.00 20.10 H new ATOM 0 HD2 LYS A 230 31.196 11.062 54.978 1.00 23.21 H new ATOM 0 HD3 LYS A 230 29.811 10.903 54.280 1.00 23.21 H new ATOM 0 HE2 LYS A 230 29.865 8.579 54.598 1.00 25.54 H new ATOM 0 HE3 LYS A 230 31.318 8.657 55.160 1.00 25.54 H new ATOM 0 HZ1 LYS A 230 29.818 8.604 56.883 1.00 31.03 H new ATOM 0 HZ2 LYS A 230 30.512 9.880 56.926 1.00 31.03 H new ATOM 0 HZ3 LYS A 230 29.158 9.807 56.403 1.00 31.03 H new ATOM 3051 N VAL A 231 32.385 11.037 48.909 1.00 15.45 N ATOM 3052 CA VAL A 231 31.736 10.757 47.591 1.00 12.94 C ATOM 3053 C VAL A 231 30.535 9.807 47.592 1.00 13.91 C ATOM 3054 O VAL A 231 29.650 10.000 46.778 1.00 8.82 O ATOM 3055 CB VAL A 231 32.845 10.209 46.576 1.00 11.77 C ATOM 3056 CG1 VAL A 231 32.292 9.972 45.112 1.00 11.78 C ATOM 3057 CG2 VAL A 231 33.952 11.232 46.437 1.00 8.68 C ATOM 0 H VAL A 231 33.232 10.887 48.914 1.00 15.45 H new ATOM 0 HA VAL A 231 31.360 11.609 47.319 1.00 12.94 H new ATOM 0 HB VAL A 231 33.147 9.365 46.947 1.00 11.77 H new ATOM 0 HG11 VAL A 231 33.007 9.642 44.545 1.00 11.78 H new ATOM 0 HG12 VAL A 231 31.574 9.321 45.139 1.00 11.78 H new ATOM 0 HG13 VAL A 231 31.956 10.808 44.753 1.00 11.78 H new ATOM 0 HG21 VAL A 231 34.624 10.900 45.822 1.00 8.68 H new ATOM 0 HG22 VAL A 231 33.584 12.062 46.096 1.00 8.68 H new ATOM 0 HG23 VAL A 231 34.358 11.390 47.304 1.00 8.68 H new ATOM 3067 N CYS A 232 30.496 8.820 48.465 1.00 15.24 N ATOM 3068 CA CYS A 232 29.330 7.887 48.461 1.00 17.20 C ATOM 3069 C CYS A 232 28.020 8.643 48.694 1.00 17.60 C ATOM 3070 O CYS A 232 26.990 8.107 48.361 1.00 16.44 O ATOM 3071 CB CYS A 232 29.552 6.808 49.532 1.00 16.04 C ATOM 3072 SG CYS A 232 29.804 7.338 51.234 1.00 19.40 S ATOM 0 H CYS A 232 31.099 8.657 49.056 1.00 15.24 H new ATOM 0 HA CYS A 232 29.259 7.462 47.592 1.00 17.20 H new ATOM 0 HB2 CYS A 232 28.786 6.214 49.517 1.00 16.04 H new ATOM 0 HB3 CYS A 232 30.323 6.283 49.268 1.00 16.04 H new ATOM 3077 N ASN A 233 28.089 9.843 49.226 1.00 18.71 N ATOM 3078 CA ASN A 233 26.841 10.654 49.474 1.00 16.93 C ATOM 3079 C ASN A 233 26.457 11.460 48.222 1.00 16.21 C ATOM 3080 O ASN A 233 25.454 12.156 48.225 1.00 12.92 O ATOM 3081 CB ASN A 233 26.975 11.758 50.566 1.00 15.46 C ATOM 3082 CG ASN A 233 27.107 11.237 51.973 1.00 14.13 C ATOM 3083 OD1 ASN A 233 27.018 10.056 52.228 1.00 17.61 O ATOM 3084 ND2 ASN A 233 27.314 12.095 52.924 1.00 18.28 N ATOM 0 H ASN A 233 28.822 10.229 49.458 1.00 18.71 H new ATOM 0 HA ASN A 233 26.198 9.980 49.744 1.00 16.93 H new ATOM 0 HB2 ASN A 233 27.750 12.305 50.362 1.00 15.46 H new ATOM 0 HB3 ASN A 233 26.199 12.338 50.520 1.00 15.46 H new ATOM 0 HD21 ASN A 233 27.388 11.826 53.737 1.00 18.28 H new ATOM 0 HD22 ASN A 233 27.377 12.933 52.741 1.00 18.28 H new ATOM 3091 N TYR A 234 27.243 11.365 47.188 1.00 14.03 N ATOM 3092 CA TYR A 234 26.921 12.138 45.960 1.00 12.09 C ATOM 3093 C TYR A 234 26.670 11.330 44.718 1.00 14.59 C ATOM 3094 O TYR A 234 26.478 11.929 43.673 1.00 12.59 O ATOM 3095 CB TYR A 234 28.076 13.080 45.664 1.00 15.02 C ATOM 3096 CG TYR A 234 28.311 14.039 46.803 1.00 14.30 C ATOM 3097 CD1 TYR A 234 27.527 15.159 46.906 1.00 14.62 C ATOM 3098 CD2 TYR A 234 29.289 13.810 47.744 1.00 15.84 C ATOM 3099 CE1 TYR A 234 27.724 16.051 47.933 1.00 17.38 C ATOM 3100 CE2 TYR A 234 29.486 14.707 48.774 1.00 17.06 C ATOM 3101 CZ TYR A 234 28.701 15.836 48.866 1.00 14.63 C ATOM 3102 OH TYR A 234 28.884 16.719 49.897 1.00 19.17 O ATOM 0 H TYR A 234 27.953 10.882 47.147 1.00 14.03 H new ATOM 0 HA TYR A 234 26.086 12.589 46.161 1.00 12.09 H new ATOM 0 HB2 TYR A 234 28.882 12.565 45.501 1.00 15.02 H new ATOM 0 HB3 TYR A 234 27.889 13.578 44.853 1.00 15.02 H new ATOM 0 HD1 TYR A 234 26.859 15.316 46.278 1.00 14.62 H new ATOM 0 HD2 TYR A 234 29.819 13.048 47.685 1.00 15.84 H new ATOM 0 HE1 TYR A 234 27.188 16.808 47.994 1.00 17.38 H new ATOM 0 HE2 TYR A 234 30.149 14.549 49.407 1.00 17.06 H new ATOM 0 HH TYR A 234 28.207 17.211 49.969 1.00 19.17 H new ATOM 3112 N VAL A 235 26.658 10.038 44.812 1.00 14.63 N ATOM 3113 CA VAL A 235 26.437 9.262 43.578 1.00 14.99 C ATOM 3114 C VAL A 235 25.155 9.600 42.826 1.00 12.88 C ATOM 3115 O VAL A 235 25.226 9.735 41.611 1.00 12.17 O ATOM 3116 CB VAL A 235 26.541 7.770 44.005 1.00 15.12 C ATOM 3117 CG1 VAL A 235 26.328 6.868 42.782 1.00 20.43 C ATOM 3118 CG2 VAL A 235 27.969 7.480 44.527 1.00 16.67 C ATOM 0 H VAL A 235 26.768 9.583 45.533 1.00 14.63 H new ATOM 0 HA VAL A 235 27.107 9.489 42.914 1.00 14.99 H new ATOM 0 HB VAL A 235 25.874 7.599 44.688 1.00 15.12 H new ATOM 0 HG11 VAL A 235 26.393 5.938 43.050 1.00 20.43 H new ATOM 0 HG12 VAL A 235 25.450 7.035 42.406 1.00 20.43 H new ATOM 0 HG13 VAL A 235 27.006 7.060 42.116 1.00 20.43 H new ATOM 0 HG21 VAL A 235 28.034 6.550 44.793 1.00 16.67 H new ATOM 0 HG22 VAL A 235 28.613 7.660 43.825 1.00 16.67 H new ATOM 0 HG23 VAL A 235 28.156 8.048 45.291 1.00 16.67 H new ATOM 3128 N SER A 236 24.028 9.734 43.483 1.00 14.87 N ATOM 3129 CA SER A 236 22.829 10.063 42.660 1.00 15.02 C ATOM 3130 C SER A 236 22.978 11.457 42.027 1.00 14.84 C ATOM 3131 O SER A 236 22.526 11.634 40.916 1.00 16.24 O ATOM 3132 CB ASER A 236 21.620 9.939 43.583 0.44 14.53 C ATOM 3133 CB BSER A 236 21.575 10.008 43.555 0.50 15.12 C ATOM 3134 OG ASER A 236 21.904 8.689 44.226 0.44 14.45 O ATOM 3135 OG BSER A 236 21.887 10.782 44.710 0.50 15.35 O ATOM 0 H SER A 236 23.912 9.652 44.331 1.00 14.87 H new ATOM 0 HA SER A 236 22.720 9.456 41.911 1.00 15.02 H new ATOM 0 HB2ASER A 236 21.562 10.673 44.214 0.44 15.12 H new ATOM 0 HB2BSER A 236 20.802 10.369 43.093 0.50 15.12 H new ATOM 0 HB3ASER A 236 20.783 9.919 43.093 0.44 15.12 H new ATOM 0 HB3BSER A 236 21.360 9.094 43.797 0.50 15.12 H new ATOM 0 HG ASER A 236 21.292 8.510 44.773 0.44 15.35 H new ATOM 0 HG BSER A 236 21.795 11.598 44.534 0.50 15.35 H new ATOM 3144 N TRP A 237 23.590 12.407 42.695 1.00 15.55 N ATOM 3145 CA TRP A 237 23.761 13.786 42.095 1.00 11.74 C ATOM 3146 C TRP A 237 24.694 13.647 40.904 1.00 13.80 C ATOM 3147 O TRP A 237 24.419 14.184 39.846 1.00 13.72 O ATOM 3148 CB TRP A 237 24.411 14.809 43.157 1.00 12.25 C ATOM 3149 CG TRP A 237 24.729 16.174 42.483 1.00 9.99 C ATOM 3150 CD1 TRP A 237 23.777 17.046 41.987 1.00 7.70 C ATOM 3151 CD2 TRP A 237 25.961 16.694 42.232 1.00 11.29 C ATOM 3152 NE1 TRP A 237 24.494 18.016 41.458 1.00 8.03 N ATOM 3153 CE2 TRP A 237 25.808 17.905 41.557 1.00 8.20 C ATOM 3154 CE3 TRP A 237 27.253 16.266 42.524 1.00 12.48 C ATOM 3155 CZ2 TRP A 237 26.910 18.656 41.175 1.00 11.24 C ATOM 3156 CZ3 TRP A 237 28.366 17.030 42.148 1.00 12.42 C ATOM 3157 CH2 TRP A 237 28.201 18.217 41.470 1.00 10.72 C ATOM 0 H TRP A 237 23.920 12.312 43.484 1.00 15.55 H new ATOM 0 HA TRP A 237 22.895 14.138 41.835 1.00 11.74 H new ATOM 0 HB2 TRP A 237 23.800 14.944 43.898 1.00 12.25 H new ATOM 0 HB3 TRP A 237 25.224 14.428 43.525 1.00 12.25 H new ATOM 0 HD1 TRP A 237 22.851 16.966 42.019 1.00 7.70 H new ATOM 0 HE1 TRP A 237 24.126 18.688 41.068 1.00 8.03 H new ATOM 0 HE3 TRP A 237 27.379 15.462 42.975 1.00 12.48 H new ATOM 0 HZ2 TRP A 237 26.787 19.457 40.719 1.00 11.24 H new ATOM 0 HZ3 TRP A 237 29.222 16.733 42.358 1.00 12.42 H new ATOM 0 HH2 TRP A 237 28.940 18.719 41.212 1.00 10.72 H new ATOM 3168 N ILE A 238 25.783 12.941 41.078 1.00 12.80 N ATOM 3169 CA ILE A 238 26.715 12.788 39.933 1.00 11.68 C ATOM 3170 C ILE A 238 25.969 12.114 38.743 1.00 17.26 C ATOM 3171 O ILE A 238 25.911 12.672 37.659 1.00 14.34 O ATOM 3172 CB ILE A 238 27.973 11.937 40.403 1.00 13.11 C ATOM 3173 CG1 ILE A 238 28.786 12.775 41.480 1.00 13.89 C ATOM 3174 CG2 ILE A 238 28.896 11.546 39.169 1.00 15.25 C ATOM 3175 CD1 ILE A 238 29.938 11.959 42.066 1.00 14.19 C ATOM 0 H ILE A 238 26.015 12.549 41.808 1.00 12.80 H new ATOM 0 HA ILE A 238 27.031 13.654 39.630 1.00 11.68 H new ATOM 0 HB ILE A 238 27.667 11.108 40.803 1.00 13.11 H new ATOM 0 HG12 ILE A 238 29.135 13.582 41.069 1.00 13.89 H new ATOM 0 HG13 ILE A 238 28.190 13.054 42.192 1.00 13.89 H new ATOM 0 HG21 ILE A 238 29.654 11.029 39.483 1.00 15.25 H new ATOM 0 HG22 ILE A 238 28.384 11.018 38.536 1.00 15.25 H new ATOM 0 HG23 ILE A 238 29.214 12.353 38.734 1.00 15.25 H new ATOM 0 HD11 ILE A 238 30.415 12.495 42.719 1.00 14.19 H new ATOM 0 HD12 ILE A 238 29.586 11.164 42.496 1.00 14.19 H new ATOM 0 HD13 ILE A 238 30.545 11.699 41.355 1.00 14.19 H new ATOM 3187 N LYS A 239 25.406 10.945 38.945 1.00 13.58 N ATOM 3188 CA LYS A 239 24.704 10.290 37.811 1.00 14.08 C ATOM 3189 C LYS A 239 23.605 11.086 37.179 1.00 15.08 C ATOM 3190 O LYS A 239 23.450 11.038 35.976 1.00 17.64 O ATOM 3191 CB LYS A 239 24.143 8.945 38.271 1.00 17.68 C ATOM 3192 CG LYS A 239 25.365 8.055 38.611 1.00 21.51 C ATOM 3193 CD LYS A 239 24.909 6.645 39.022 1.00 25.30 C ATOM 3194 CE LYS A 239 26.167 5.775 39.162 1.00 31.21 C ATOM 3195 NZ LYS A 239 25.785 4.375 39.460 1.00 34.64 N ATOM 0 H LYS A 239 25.405 10.512 39.688 1.00 13.58 H new ATOM 0 HA LYS A 239 25.379 10.191 37.122 1.00 14.08 H new ATOM 0 HB2 LYS A 239 23.570 9.056 39.046 1.00 17.68 H new ATOM 0 HB3 LYS A 239 23.603 8.539 37.575 1.00 17.68 H new ATOM 0 HG2 LYS A 239 25.954 7.999 37.843 1.00 21.51 H new ATOM 0 HG3 LYS A 239 25.875 8.458 39.331 1.00 21.51 H new ATOM 0 HD2 LYS A 239 24.420 6.675 39.859 1.00 25.30 H new ATOM 0 HD3 LYS A 239 24.309 6.273 38.357 1.00 25.30 H new ATOM 0 HE2 LYS A 239 26.686 5.809 38.343 1.00 31.21 H new ATOM 0 HE3 LYS A 239 26.732 6.122 39.870 1.00 31.21 H new ATOM 0 HZ1 LYS A 239 26.519 3.877 39.540 1.00 34.64 H new ATOM 0 HZ2 LYS A 239 25.325 4.348 40.221 1.00 34.64 H new ATOM 0 HZ3 LYS A 239 25.282 4.057 38.798 1.00 34.64 H new ATOM 3209 N GLN A 240 22.860 11.788 37.961 1.00 14.54 N ATOM 3210 CA GLN A 240 21.749 12.602 37.394 1.00 17.20 C ATOM 3211 C GLN A 240 22.329 13.800 36.656 1.00 16.54 C ATOM 3212 O GLN A 240 21.844 14.180 35.600 1.00 19.05 O ATOM 3213 CB GLN A 240 20.846 13.054 38.553 1.00 23.46 C ATOM 3214 CG GLN A 240 19.568 13.757 38.072 0.14 22.75 C ATOM 3215 CD GLN A 240 18.469 13.431 39.085 0.14 24.08 C ATOM 3216 OE1 GLN A 240 18.655 13.512 40.279 0.14 23.30 O ATOM 3217 NE2 GLN A 240 17.301 13.053 38.668 0.14 24.04 N ATOM 0 H GLN A 240 22.948 11.832 38.815 1.00 14.54 H new ATOM 0 HA GLN A 240 21.225 12.083 36.764 1.00 17.20 H new ATOM 0 HB2 GLN A 240 20.604 12.282 39.089 1.00 23.46 H new ATOM 0 HB3 GLN A 240 21.343 13.655 39.130 1.00 23.46 H new ATOM 0 HG2 GLN A 240 19.706 14.715 38.012 0.14 22.75 H new ATOM 0 HG3 GLN A 240 19.320 13.450 37.186 0.14 22.75 H new ATOM 0 HE21 GLN A 240 17.146 12.988 37.825 0.14 24.04 H new ATOM 0 HE22 GLN A 240 16.682 12.867 39.235 0.14 24.04 H new ATOM 3226 N THR A 241 23.352 14.365 37.215 1.00 8.53 N ATOM 3227 CA THR A 241 23.974 15.541 36.551 1.00 11.68 C ATOM 3228 C THR A 241 24.670 15.180 35.245 1.00 13.59 C ATOM 3229 O THR A 241 24.523 15.897 34.275 1.00 11.20 O ATOM 3230 CB THR A 241 24.964 16.154 37.523 1.00 13.81 C ATOM 3231 OG1 THR A 241 24.048 16.553 38.543 1.00 15.81 O ATOM 3232 CG2 THR A 241 25.563 17.484 37.017 1.00 15.35 C ATOM 0 H THR A 241 23.716 14.118 37.954 1.00 8.53 H new ATOM 0 HA THR A 241 23.275 16.172 36.318 1.00 11.68 H new ATOM 0 HB THR A 241 25.699 15.556 37.729 1.00 13.81 H new ATOM 0 HG1 THR A 241 23.991 15.946 39.121 1.00 15.81 H new ATOM 0 HG21 THR A 241 26.186 17.830 37.675 1.00 15.35 H new ATOM 0 HG22 THR A 241 26.029 17.332 36.180 1.00 15.35 H new ATOM 0 HG23 THR A 241 24.851 18.128 36.878 1.00 15.35 H new ATOM 3240 N ILE A 242 25.407 14.108 35.212 1.00 15.50 N ATOM 3241 CA ILE A 242 26.075 13.800 33.932 1.00 15.70 C ATOM 3242 C ILE A 242 25.083 13.301 32.892 1.00 15.24 C ATOM 3243 O ILE A 242 25.321 13.464 31.720 1.00 16.65 O ATOM 3244 CB ILE A 242 27.195 12.763 34.209 1.00 14.57 C ATOM 3245 CG1 ILE A 242 26.651 11.382 34.571 1.00 20.79 C ATOM 3246 CG2 ILE A 242 28.092 13.304 35.346 1.00 17.81 C ATOM 3247 CD1 ILE A 242 27.826 10.377 34.677 1.00 18.70 C ATOM 0 H ILE A 242 25.544 13.561 35.861 1.00 15.50 H new ATOM 0 HA ILE A 242 26.467 14.606 33.561 1.00 15.70 H new ATOM 0 HB ILE A 242 27.707 12.645 33.393 1.00 14.57 H new ATOM 0 HG12 ILE A 242 26.171 11.423 35.413 1.00 20.79 H new ATOM 0 HG13 ILE A 242 26.019 11.086 33.898 1.00 20.79 H new ATOM 0 HG21 ILE A 242 28.799 12.666 35.532 1.00 17.81 H new ATOM 0 HG22 ILE A 242 28.483 14.150 35.076 1.00 17.81 H new ATOM 0 HG23 ILE A 242 27.558 13.436 36.145 1.00 17.81 H new ATOM 0 HD11 ILE A 242 27.482 9.500 34.907 1.00 18.70 H new ATOM 0 HD12 ILE A 242 28.289 10.329 33.826 1.00 18.70 H new ATOM 0 HD13 ILE A 242 28.443 10.672 35.365 1.00 18.70 H new ATOM 3259 N ALA A 243 24.002 12.710 33.309 1.00 14.73 N ATOM 3260 CA ALA A 243 23.059 12.233 32.262 1.00 10.69 C ATOM 3261 C ALA A 243 22.259 13.367 31.682 1.00 15.42 C ATOM 3262 O ALA A 243 21.758 13.234 30.586 1.00 12.47 O ATOM 3263 CB ALA A 243 22.066 11.188 32.835 1.00 16.36 C ATOM 0 H ALA A 243 23.778 12.568 34.127 1.00 14.73 H new ATOM 0 HA ALA A 243 23.602 11.828 31.568 1.00 10.69 H new ATOM 0 HB1 ALA A 243 21.464 10.894 32.133 1.00 16.36 H new ATOM 0 HB2 ALA A 243 22.559 10.426 33.177 1.00 16.36 H new ATOM 0 HB3 ALA A 243 21.553 11.589 33.554 1.00 16.36 H new ATOM 3269 N SER A 244 22.144 14.452 32.390 1.00 10.85 N ATOM 3270 CA SER A 244 21.357 15.588 31.854 1.00 13.49 C ATOM 3271 C SER A 244 22.215 16.743 31.340 1.00 15.33 C ATOM 3272 O SER A 244 21.656 17.830 31.234 1.00 16.59 O ATOM 3273 CB SER A 244 20.481 16.111 32.951 1.00 19.86 C ATOM 3274 OG SER A 244 19.901 14.944 33.529 1.00 29.25 O ATOM 0 H SER A 244 22.493 14.576 33.166 1.00 10.85 H new ATOM 0 HA SER A 244 20.851 15.250 31.099 1.00 13.49 H new ATOM 0 HB2 SER A 244 20.994 16.612 33.605 1.00 19.86 H new ATOM 0 HB3 SER A 244 19.801 16.710 32.605 1.00 19.86 H new ATOM 0 HG SER A 244 20.380 14.679 34.166 1.00 29.25 H new ATOM 3280 N ASN A 245 23.474 16.496 31.036 1.00 17.55 N ATOM 3281 CA ASN A 245 24.413 17.546 30.536 1.00 17.64 C ATOM 3282 C ASN A 245 25.433 17.074 29.453 1.00 18.95 C ATOM 3283 O ASN A 245 26.120 17.983 29.004 1.00 18.48 O ATOM 3284 CB ASN A 245 25.193 18.129 31.756 1.00 18.42 C ATOM 3285 CG ASN A 245 24.270 18.991 32.611 1.00 20.33 C ATOM 3286 OD1 ASN A 245 24.012 20.144 32.321 1.00 23.92 O ATOM 3287 ND2 ASN A 245 23.719 18.510 33.679 1.00 17.83 N ATOM 3288 OXT ASN A 245 25.486 15.886 29.143 1.00 17.89 O ATOM 0 H ASN A 245 23.832 15.717 31.107 1.00 17.55 H new ATOM 0 HA ASN A 245 23.861 18.209 30.092 1.00 17.64 H new ATOM 0 HB2 ASN A 245 25.558 17.406 32.290 1.00 18.42 H new ATOM 0 HB3 ASN A 245 25.944 18.658 31.445 1.00 18.42 H new ATOM 0 HD21 ASN A 245 23.195 19.002 34.151 1.00 17.83 H new ATOM 0 HD22 ASN A 245 23.877 17.699 33.916 1.00 17.83 H new TER 3295 ASN A 245 HETATM 3296 CA CA A 247 53.994 14.638 31.010 1.00 30.53 CA HETATM 3297 MG MG A 263 45.577 14.965 43.117 1.00 23.02 MG HETATM 3298 ZN ZN A 409 43.368 22.417 47.973 1.00 16.21 ZN HETATM 3299 ZN ZN A 410 45.932 27.392 50.210 0.69 29.28 ZN HETATM 3300 ZN ZN A 411 45.609 24.916 52.793 0.68 27.91 ZN HETATM 3301 C1 BAH A 246 45.286 19.480 52.872 1.00 14.19 C HETATM 3302 C2 BAH A 246 44.721 18.969 51.664 1.00 14.42 C HETATM 3303 C3 BAH A 246 44.280 19.800 50.650 1.00 11.29 C HETATM 3304 C4 BAH A 246 44.410 21.157 50.876 1.00 14.08 C HETATM 3305 C5 BAH A 246 44.940 21.653 51.994 1.00 17.57 C HETATM 3306 C6 BAH A 246 45.390 20.881 53.040 1.00 15.47 C HETATM 3307 C7 BAH A 246 45.694 18.624 53.876 1.00 15.16 C HETATM 3308 C8 BAH A 246 44.372 23.256 50.701 1.00 20.86 C HETATM 3309 C9 BAH A 246 44.067 24.721 50.072 1.00 26.47 C HETATM 3310 N1 BAH A 246 46.437 19.075 54.844 1.00 17.32 N HETATM 3311 N2 BAH A 246 45.312 17.377 53.821 1.00 20.55 N HETATM 3312 N3 BAH A 246 44.092 22.147 50.135 1.00 10.86 N HETATM 3313 N4 BAH A 246 44.904 22.937 51.875 1.00 22.13 N HETATM 3314 C1' BAH A 246 46.378 26.392 44.778 0.67 28.09 C HETATM 3315 C2' BAH A 246 45.573 25.265 44.399 0.67 27.61 C HETATM 3316 C3' BAH A 246 44.837 24.524 45.313 0.67 24.84 C HETATM 3317 C4' BAH A 246 44.938 24.947 46.594 0.67 25.04 C HETATM 3318 C5' BAH A 246 45.660 25.983 47.018 0.67 24.89 C HETATM 3319 C6' BAH A 246 46.414 26.761 46.154 0.67 24.67 C HETATM 3320 C7' BAH A 246 47.087 27.096 43.818 0.67 29.52 C HETATM 3321 C8' BAH A 246 44.673 25.110 48.660 0.67 23.27 C HETATM 3322 N1' BAH A 246 47.823 28.111 44.167 0.67 30.15 N HETATM 3323 N2' BAH A 246 46.996 26.719 42.574 0.67 34.97 N HETATM 3324 N3' BAH A 246 44.357 24.450 47.608 0.67 22.60 N HETATM 3325 N4' BAH A 246 45.483 26.065 48.307 0.67 21.26 N HETATM 3326 O91 BAH A 246 44.241 25.782 51.008 1.00 31.29 O HETATM 3327 O92 BAH A 246 42.671 24.698 49.816 1.00 27.78 O HETATM 0 HN22 BAH A 246 45.554 16.826 54.435 1.00 20.55 H new HETATM 0 HN21 BAH A 246 44.818 17.107 53.171 1.00 20.55 H new HETATM 0 HN12 BAH A 246 46.694 18.546 55.471 1.00 17.32 H new HETATM 0 HN11 BAH A 246 46.672 19.902 54.856 1.00 17.32 H new HETATM 0 HC6' BAH A 246 46.937 27.515 46.468 0.67 24.67 H new HETATM 0 HC3' BAH A 246 44.294 23.763 45.054 0.67 24.84 H new HETATM 0 HC2' BAH A 246 45.542 25.010 43.463 0.67 27.61 H new HETATM 0 H2'2 BAH A 246 47.428 27.143 41.963 0.67 34.97 H new HETATM 0 H2'1 BAH A 246 46.504 26.046 42.364 0.67 34.97 H new HETATM 0 H1'2 BAH A 246 48.263 28.548 43.571 0.67 30.15 H new HETATM 0 H1'1 BAH A 246 47.869 28.345 44.993 0.67 30.15 H new HETATM 0 HC6 BAH A 246 45.758 21.275 53.847 1.00 15.47 H new HETATM 0 HC3 BAH A 246 43.902 19.451 49.828 1.00 11.29 H new HETATM 0 HC2 BAH A 246 44.644 18.009 51.551 1.00 14.42 H new HETATM 0 H92 BAH A 246 42.539 24.623 48.990 1.00 27.78 H new HETATM 0 H91 BAH A 246 44.073 26.516 50.635 1.00 31.29 H new HETATM 3343 S DMS A 333 37.999 25.603 56.942 1.00 55.63 S HETATM 3344 O DMS A 333 37.641 26.820 56.632 1.00 60.84 O HETATM 3345 C1 DMS A 333 36.691 24.365 57.048 1.00 52.88 C HETATM 3346 C2 DMS A 333 39.307 24.752 56.038 1.00 53.53 C HETATM 0 H23 DMS A 333 38.946 23.953 55.622 1.00 53.53 H new HETATM 0 H22 DMS A 333 39.663 25.340 55.353 1.00 53.53 H new HETATM 0 H21 DMS A 333 40.017 24.505 56.651 1.00 53.53 H new HETATM 0 H13 DMS A 333 36.923 23.706 57.720 1.00 52.88 H new HETATM 0 H12 DMS A 333 35.857 24.795 57.292 1.00 52.88 H new HETATM 0 H11 DMS A 333 36.589 23.928 56.188 1.00 52.88 H new HETATM 3353 O HOH A 248 38.694 13.177 42.534 1.00 12.31 O HETATM 3356 O HOH A 249 34.835 18.958 52.176 1.00 23.62 O HETATM 3359 O HOH A 250 47.573 16.837 42.152 1.00 14.38 O HETATM 3362 O HOH A 251 54.925 8.493 39.518 1.00 21.75 O HETATM 3365 O HOH A 252 48.110 18.528 58.663 1.00 35.11 O HETATM 3368 O HOH A 253 56.150 12.590 49.154 1.00 29.80 O HETATM 3371 O HOH A 254 52.667 15.146 45.814 1.00 18.26 O HETATM 3374 O HOH A 255 49.416 20.096 34.323 1.00 15.94 O HETATM 3377 O HOH A 256 52.191 5.011 51.658 1.00 32.24 O HETATM 3380 O HOH A 257 36.545 9.997 59.612 1.00 18.53 O HETATM 3383 O HOH A 258 48.169 7.520 33.680 1.00 17.25 O HETATM 3386 O HOH A 259 41.834 13.371 67.317 1.00 46.63 O HETATM 3389 O HOH A 260 48.219 14.980 59.062 1.00 34.67 O HETATM 3392 O HOH A 261 51.902 8.672 36.700 1.00 29.15 O HETATM 3395 O HOH A 262 52.073 23.967 32.563 1.00 26.88 O HETATM 3398 O HOH A 264 32.189 18.126 51.940 1.00 14.25 O HETATM 3401 O HOH A 265 45.648 12.184 54.691 1.00 17.74 O HETATM 3404 O HOH A 266 47.310 12.577 57.949 1.00 11.89 O HETATM 3407 O HOH A 267 52.721 10.774 29.628 1.00 19.43 O HETATM 3410 O HOH A 268 51.316 19.049 32.594 1.00 17.33 O HETATM 3413 O HOH A 269 46.983 12.750 34.181 1.00 17.01 O HETATM 3416 O HOH A 270 48.060 9.667 35.423 1.00 24.24 O HETATM 3419 O HOH A 271 53.237 17.062 30.274 1.00 21.17 O HETATM 3422 O AHOH A 272 30.612 26.067 32.655 0.50 22.85 O HETATM 3425 O HOH A 273 27.117 13.417 29.267 1.00 22.97 O HETATM 3428 O HOH A 274 52.861 23.123 36.348 1.00 19.32 O HETATM 3431 O HOH A 275 45.091 9.535 33.446 1.00 23.27 O HETATM 3434 O HOH A 276 49.297 7.540 36.809 1.00 29.76 O HETATM 3437 O HOH A 277 57.360 8.492 38.391 1.00 28.58 O HETATM 3440 O HOH A 278 30.928 29.536 46.202 1.00 21.98 O HETATM 3443 O HOH A 279 29.975 28.744 48.595 1.00 23.50 O HETATM 3446 O HOH A 280 44.685 7.214 44.023 1.00 21.91 O HETATM 3449 O HOH A 281 32.796 8.063 50.336 1.00 17.27 O HETATM 3452 O HOH A 282 33.732 22.927 58.104 1.00 16.53 O HETATM 3455 O HOH A 283 33.241 18.266 63.916 1.00 29.82 O HETATM 3458 O HOH A 284 41.394 3.819 61.376 1.00 35.89 O HETATM 3461 O HOH A 285 41.537 6.926 65.273 1.00 48.76 O HETATM 3464 O HOH A 286 32.710 6.372 28.988 1.00 22.02 O HETATM 3467 O HOH A 287 53.997 22.244 33.694 1.00 31.31 O HETATM 3470 O HOH A 288 59.675 6.888 45.887 1.00 43.86 O HETATM 3473 O HOH A 289 46.949 25.847 29.425 1.00 53.14 O HETATM 3476 O HOH A 290 46.415 5.882 60.932 1.00 50.15 O HETATM 3479 O HOH A 291 41.756 -0.142 45.357 1.00 41.33 O HETATM 3482 O HOH A 292 33.295 6.970 52.906 1.00 51.51 O HETATM 3485 O HOH A 293 41.013 -2.250 43.462 1.00 35.07 O HETATM 3488 O HOH A 294 27.300 10.588 30.251 1.00 23.59 O HETATM 3491 O HOH A 295 27.751 14.143 26.234 1.00 26.95 O HETATM 3494 O HOH A 296 43.888 -0.355 34.773 1.00 55.84 O HETATM 3497 O HOH A 297 34.698 7.653 59.111 1.00 58.07 O HETATM 3500 O HOH A 298 39.719 27.716 62.760 1.00 34.41 O HETATM 3503 O AHOH A 299 54.290 19.727 29.722 0.50 8.80 O HETATM 3506 O HOH A 300 25.277 9.186 31.716 1.00 27.39 O HETATM 3509 O HOH A 301 34.931 1.114 48.928 1.00 25.88 O HETATM 3512 O HOH A 302 54.508 6.457 51.829 1.00 53.73 O HETATM 3515 O HOH A 303 44.934 17.581 71.311 1.00 62.35 O HETATM 3518 O HOH A 304 32.665 10.207 57.438 1.00 44.04 O HETATM 3521 O HOH A 305 31.305 23.026 59.281 1.00 36.47 O HETATM 3524 O HOH A 306 40.482 5.118 63.626 1.00 46.12 O HETATM 3527 O HOH A 307 29.314 6.611 34.496 1.00 33.81 O HETATM 3530 O HOH A 308 51.048 15.751 23.133 1.00 46.73 O HETATM 3533 O HOH A 309 53.911 12.144 31.616 1.00 27.51 O HETATM 3536 O HOH A 310 24.383 8.870 34.537 1.00 22.59 O HETATM 3539 O HOH A 311 58.358 6.183 37.384 1.00 55.66 O HETATM 3542 O HOH A 312 44.159 2.601 42.436 1.00 38.46 O HETATM 3545 O HOH A 313 23.923 15.977 46.698 1.00 23.20 O HETATM 3548 O HOH A 314 36.107 27.904 47.216 1.00 37.43 O HETATM 3551 O HOH A 316 57.708 14.006 51.347 1.00 35.33 O HETATM 3554 O HOH A 317 24.362 25.863 51.666 1.00 69.25 O HETATM 3557 O HOH A 318 27.330 24.454 55.314 1.00 47.10 O HETATM 3560 O HOH A 319 52.079 22.281 57.901 1.00 40.15 O HETATM 3563 O HOH A 320 34.937 5.417 66.544 1.00 62.80 O HETATM 3566 O HOH A 321 32.131 28.279 44.220 1.00 25.36 O HETATM 3569 O HOH A 322 32.263 15.753 25.625 1.00 37.14 O HETATM 3572 O HOH A 323 47.054 8.208 26.347 1.00 38.40 O HETATM 3575 O HOH A 324 26.061 2.135 35.803 1.00 65.08 O HETATM 3578 O HOH A 325 42.741 16.334 52.496 1.00 23.36 O HETATM 3581 O HOH A 328 42.408 -1.396 32.524 1.00 60.21 O HETATM 3584 O HOH A 329 46.814 -0.700 34.973 1.00 66.14 O HETATM 3587 O HOH A 330 54.085 8.478 30.013 1.00 36.82 O HETATM 3590 O HOH A 332 40.337 29.421 49.887 1.00 61.46 O HETATM 3593 O HOH A 334 35.462 -1.378 39.852 1.00 52.10 O HETATM 3596 O HOH A 335 36.574 30.655 58.989 1.00 45.58 O HETATM 3599 O HOH A 336 37.911 27.783 49.396 1.00 57.65 O HETATM 3602 O HOH A 337 41.055 23.514 51.586 1.00 40.70 O HETATM 3605 O HOH A 338 26.348 17.182 58.918 1.00 52.07 O HETATM 3608 O HOH A 339 25.177 15.232 60.663 1.00 61.39 O HETATM 3611 O HOH A 340 21.398 17.878 59.088 1.00 49.24 O HETATM 3614 O HOH A 341 27.573 24.869 35.358 1.00 36.88 O HETATM 3617 O HOH A 342 26.623 27.692 32.236 1.00 50.83 O HETATM 3620 O HOH A 343 21.883 21.324 31.741 1.00 44.90 O HETATM 3623 O HOH A 344 36.580 25.559 32.693 1.00 53.33 O HETATM 3626 O HOH A 345 34.045 27.145 30.359 1.00 61.56 O HETATM 3629 O HOH A 346 38.615 31.598 37.592 1.00 37.84 O HETATM 3632 O HOH A 348 31.426 25.139 61.024 1.00 35.82 O HETATM 3635 O AHOH A 349 29.879 27.652 60.193 0.50 37.69 O HETATM 3638 O HOH A 351 36.725 30.021 55.815 1.00 19.87 O HETATM 3641 O HOH A 352 34.172 26.631 62.929 1.00 66.67 O HETATM 3644 O HOH A 355 51.083 -2.239 29.959 2.25 61.09 O HETATM 3647 O HOH A 356 46.538 -0.025 25.650 1.00 49.48 O HETATM 3650 O HOH A 357 40.600 2.166 37.216 1.00 55.79 O HETATM 3653 O HOH A 358 38.567 2.794 31.583 1.00 31.00 O HETATM 3656 O HOH A 359 56.323 7.707 54.610 1.00 42.08 O HETATM 3659 O HOH A 360 24.633 13.486 62.664 1.00 60.71 O HETATM 3662 O HOH A 362 30.660 3.860 38.096 1.00 36.84 O HETATM 3665 O AHOH A 363 48.886 25.942 58.412 0.50 28.12 O HETATM 3668 O HOH A 365 59.813 15.027 41.464 1.00 49.03 O HETATM 3671 O HOH A 366 40.400 27.674 42.726 1.00 55.79 O HETATM 3674 O HOH A 367 43.156 26.970 42.906 1.00 42.88 O HETATM 3677 O HOH A 368 18.264 10.275 43.833 1.00 75.67 O HETATM 3680 O HOH A 369 24.629 9.362 65.358 1.00 71.22 O HETATM 3683 O HOH A 370 47.671 3.385 61.600 1.00 49.44 O HETATM 3686 O HOH A 373 37.667 -1.781 58.418 1.00 28.64 O HETATM 3689 O HOH A 374 41.038 -1.903 53.284 1.00 64.49 O HETATM 3692 O HOH A 375 61.396 6.469 51.320 1.00 45.70 O HETATM 3695 O HOH A 376 23.573 12.422 45.821 1.00 30.30 O HETATM 3698 O CHOH A 377 59.971 8.372 55.768 0.50 63.10 O HETATM 3701 O HOH A 378 45.330 17.816 57.542 1.00 33.51 O HETATM 3704 O HOH A 379 55.786 3.918 54.378 1.00 50.17 O HETATM 3707 O HOH A 380 44.686 -2.044 71.168 1.00 21.09 O HETATM 3710 O HOH A 381 41.695 -1.404 71.692 1.00 39.81 O HETATM 3713 O AHOH A 382 31.253 30.128 60.662 0.50 69.33 O HETATM 3716 O HOH A 383 57.621 29.236 59.041 1.00 58.45 O HETATM 3719 O HOH A 384 41.440 -1.373 50.588 1.00 65.86 O HETATM 3722 O HOH A 386 58.454 12.103 54.727 1.00 63.10 O HETATM 3725 O HOH A 387 58.577 10.809 51.655 1.00 43.12 O HETATM 3728 O HOH A 390 30.851 13.009 59.723 1.00 50.07 O HETATM 3731 O HOH A 392 56.889 13.003 56.745 1.00 65.47 O HETATM 3734 O HOH A 393 45.555 25.009 18.533 1.00 65.13 O HETATM 3737 O HOH A 394 37.889 31.394 40.801 1.00 56.62 O HETATM 3740 O HOH A 395 62.700 19.929 28.769 1.00 25.01 O HETATM 3743 O HOH A 396 32.771 5.788 37.000 1.00 41.05 O HETATM 3746 O HOH A 397 34.790 25.881 59.608 1.00 46.84 O HETATM 3749 O HOH A 398 59.902 7.702 34.943 1.00 44.78 O HETATM 3752 O HOH A 399 48.716 29.330 50.618 1.00 57.56 O HETATM 3755 O HOH A 400 24.270 20.322 53.168 1.00 80.01 O HETATM 3758 O HOH A 401 22.937 30.712 59.547 1.00 51.50 O HETATM 3761 O HOH A 404 18.127 32.217 60.118 1.00 26.37 O HETATM 3764 O HOH A 405 61.486 12.157 38.897 1.00 51.20 O HETATM 3767 O HOH A 406 17.333 24.653 60.148 1.00 49.34 O HETATM 3770 O HOH A 407 19.893 33.593 58.582 1.00 47.64 O HETATM 3773 O HOH A 408 57.465 12.772 23.460 1.00 61.73 O HETATM 3776 O HOH A 414 43.778 25.537 54.798 1.00 51.11 O HETATM 3779 O HOH A 415 46.300 29.671 47.982 1.00 57.30 O HETATM 3782 O HOH A 416 38.901 28.092 59.947 1.00 50.09 O HETATM 3785 O HOH A 417 36.603 27.402 61.128 1.00 58.44 O HETATM 3788 O HOH A 423 26.446 -0.771 39.978 1.00 67.29 O HETATM 3791 O HOH A 425 47.659 3.567 64.302 1.00 48.94 O HETATM 3794 O HOH A 427 43.301 6.065 67.239 1.00 62.50 O HETATM 3797 O HOH A 429 36.800 5.064 68.492 1.00 49.63 O HETATM 3800 O HOH A 430 47.549 18.588 70.193 1.00 56.09 O HETATM 3803 O HOH A 431 42.277 16.533 72.617 1.00 77.55 O HETATM 3806 O HOH A 432 48.305 12.605 71.578 1.00 73.30 O HETATM 3809 O HOH A 434 42.415 3.761 69.955 1.00 66.01 O HETATM 3812 O HOH A 435 44.686 9.538 70.775 1.00 67.27 O HETATM 3815 O HOH A 436 44.073 21.729 69.017 1.00 66.76 O HETATM 3818 O HOH A 437 60.036 5.324 49.024 1.00 66.59 O HETATM 3821 O HOH A 439 25.449 27.941 57.390 1.00 66.41 O HETATM 3824 O HOH A 440 42.940 15.018 22.296 1.00 47.16 O HETATM 3827 O HOH A 441 19.538 30.153 52.934 1.00 73.79 O HETATM 3830 O HOH A 442 22.161 24.121 52.002 1.00 38.72 O HETATM 3833 O HOH A 443 21.067 27.933 53.928 1.00 72.88 O HETATM 3836 O HOH A 444 20.790 25.148 54.286 1.00 58.52 O HETATM 3839 O HOH A 445 36.085 31.004 43.240 1.00 66.50 O HETATM 3842 O HOH A 446 40.688 31.594 35.629 1.00 53.60 O HETATM 3845 O HOH A 447 43.925 28.737 30.769 1.00 62.23 O HETATM 3848 O HOH A 448 23.940 24.821 31.436 1.00 60.14 O HETATM 3851 O HOH A 449 32.884 6.749 65.271 1.00 54.11 O HETATM 3854 O HOH A 452 48.329 24.978 53.276 1.00 51.72 O HETATM 3857 O HOH A 453 61.706 11.942 42.515 1.00 75.05 O HETATM 3860 O HOH A 455 59.878 11.061 48.693 1.00 70.03 O HETATM 3863 O HOH A 456 63.274 9.364 47.202 1.00 61.82 O HETATM 3866 O HOH A 457 62.322 14.003 50.394 1.00 52.16 O HETATM 3869 O AHOH A 466 29.378 30.407 56.281 0.50 54.56 O HETATM 3872 O HOH A 471 64.355 14.269 46.398 1.00 58.12 O HETATM 3875 O BHOH A 479 55.103 20.559 28.519 0.50 45.11 O HETATM 3878 O HOH A 489 24.957 22.961 33.623 1.00 46.87 O HETATM 3881 O HOH A 500 65.367 3.332 26.896 1.00 61.52 O HETATM 3884 O HOH A 501 24.008 8.860 46.614 1.00 45.40 O HETATM 3887 O HOH A 505 48.320 1.465 33.867 1.00 46.62 O HETATM 3890 O HOH A 512 26.796 22.587 58.203 1.00 36.94 O HETATM 3893 O HOH A 519 34.544 -4.804 41.964 1.00 46.30 O HETATM 3896 O HOH A 520 17.752 12.806 44.861 1.00 79.96 O HETATM 3899 O HOH A 523 45.865 1.824 40.581 1.00 42.26 O HETATM 3902 O HOH A 524 49.410 9.974 21.983 1.00 51.96 O HETATM 3905 O HOH A 527 69.432 7.546 36.581 1.00 50.47 O HETATM 3908 O HOH A 529 38.023 -0.914 72.819 1.00 58.28 O HETATM 3911 O HOH A 532 47.007 30.754 44.585 1.00 57.23 O HETATM 3914 O HOH A 533 40.001 14.250 22.539 1.00 48.03 O HETATM 3917 O HOH A 536 31.918 31.937 47.433 1.00 44.66 O HETATM 3920 O HOH A 538 23.079 6.452 43.643 1.00 63.99 O HETATM 3923 O HOH A 542 38.925 30.141 47.561 1.00 44.77 O HETATM 3926 O HOH A 547 32.748 5.114 59.556 1.00 41.80 O HETATM 3929 O HOH A 550 23.836 7.396 49.355 1.00 53.42 O HETATM 3932 O HOH A 579 36.124 11.942 21.364 1.00 61.99 O HETATM 3935 O HOH A 594 22.258 20.162 26.557 1.00 50.48 O HETATM 3938 O BHOH A 601 31.267 28.100 61.111 0.50 48.46 O HETATM 3941 O HOH A 602 45.862 29.706 24.020 1.00 72.84 O HETATM 3944 O HOH A 604 59.070 6.782 53.312 1.00 56.32 O HETATM 3947 O HOH A 615 42.457 29.031 24.311 1.00 61.33 O HETATM 3950 O HOH A 618 27.858 32.877 51.697 1.00 49.02 O HETATM 3953 O BHOH A 625 30.042 29.325 57.914 0.50 51.66 O HETATM 3956 O HOH A 639 12.826 11.814 64.001 1.00 43.22 O HETATM 3959 O HOH A 661 40.961 9.995 18.996 1.00 59.94 O HETATM 3962 O HOH A 666 41.926 25.055 19.145 1.00 69.28 O HETATM 3965 O HOH A 675 45.089 14.546 71.601 1.00 58.90 O HETATM 3968 O HOH A 676 41.373 10.272 68.601 1.00 53.29 O HETATM 3971 O HOH A 677 42.911 15.330 69.607 1.00 63.42 O HETATM 3974 O HOH A 678 45.770 11.864 72.361 1.00 55.89 O HETATM 3977 O HOH A 679 46.304 9.509 73.838 1.00 59.95 O HETATM 3980 O HOH A 681 50.129 -0.020 32.452 1.00 65.18 O HETATM 3983 O HOH A 682 51.046 14.049 18.874 1.00 50.11 O HETATM 3986 O HOH A 683 51.996 7.219 21.958 1.00 45.91 O HETATM 3989 O AHOH A 684 53.312 12.567 19.881 0.50 64.49 O HETATM 3992 O BHOH A 685 54.262 10.970 18.294 0.50 59.88 O HETATM 3995 O HOH A 686 51.520 5.017 23.604 1.00 56.89 O HETATM 3998 O HOH A 687 52.739 7.959 19.308 1.00 51.02 O HETATM 4001 O HOH A 688 51.949 10.600 21.087 1.00 54.31 O HETATM 4004 O HOH A 690 41.504 30.238 41.970 1.00 60.35 O HETATM 4007 O HOH A 691 37.986 28.375 44.076 1.00 38.84 O HETATM 4010 O BHOH A 692 29.447 6.277 56.445 0.50 41.26 O HETATM 4013 O HOH A 693 32.064 7.355 57.816 1.00 52.20 O HETATM 4016 O HOH A 694 47.600 26.048 55.568 1.00 37.11 O HETATM 4019 O HOH A 695 41.531 28.217 26.722 1.00 61.49 O HETATM 4022 O HOH A 697 29.683 30.848 51.774 1.00 44.32 O HETATM 4025 O HOH A 698 35.618 30.958 28.195 1.00 60.32 O HETATM 4028 O BHOH A 699 59.409 21.037 39.825 0.50 56.66 O HETATM 4031 O HOH A 700 43.657 28.364 51.594 1.00 58.14 O HETATM 4034 O HOH A 701 60.655 13.866 44.369 1.00 62.50 O HETATM 4037 O AHOH A 702 58.359 12.796 47.346 0.50 58.44 O HETATM 4040 O HOH A 703 62.154 11.925 46.972 1.00 46.92 O HETATM 4043 O BHOH A 704 58.521 13.902 48.402 0.50 55.04 O CONECT 92 2057 CONECT 200 3297 CONECT 361 601 CONECT 588 3298 CONECT 601 361 CONECT 794 3296 CONECT 817 3296 CONECT 864 3296 CONECT 937 3296 CONECT 1673 3072 CONECT 1752 2679 CONECT 1798 3297 CONECT 2057 92 CONECT 2215 2422 CONECT 2422 2215 CONECT 2563 2867 CONECT 2595 3297 CONECT 2609 3298 CONECT 2679 1752 CONECT 2867 2563 CONECT 3072 1673 CONECT 3296 794 817 864 937 CONECT 3296 3419 3533 CONECT 3297 200 1798 2595 3359 CONECT 3298 588 2609 3312 3324 CONECT 3299 3325 3326 CONECT 3300 3313 3326 3854 CONECT 3301 3302 3306 3307 CONECT 3302 3301 3303 3328 CONECT 3303 3302 3304 3329 CONECT 3304 3303 3305 3312 CONECT 3305 3304 3306 3313 CONECT 3306 3301 3305 3330 CONECT 3307 3301 3310 3311 CONECT 3308 3309 3312 3313 CONECT 3309 3308 3321 3326 3327 CONECT 3310 3307 3331 3332 CONECT 3311 3307 3333 3334 CONECT 3312 3298 3304 3308 CONECT 3313 3300 3305 3308 CONECT 3314 3315 3319 3320 CONECT 3315 3314 3316 3335 CONECT 3316 3315 3317 3336 CONECT 3317 3316 3318 3324 CONECT 3318 3317 3319 3325 CONECT 3319 3314 3318 3337 CONECT 3320 3314 3322 3323 CONECT 3321 3309 3324 3325 CONECT 3322 3320 3338 3339 CONECT 3323 3320 3340 3341 CONECT 3324 3298 3317 3321 CONECT 3325 3299 3318 3321 CONECT 3326 3299 3300 3309 CONECT 3327 3309 3342 CONECT 3328 3302 CONECT 3329 3303 CONECT 3330 3306 CONECT 3331 3310 CONECT 3332 3310 CONECT 3333 3311 CONECT 3334 3311 CONECT 3335 3315 CONECT 3336 3316 CONECT 3337 3319 CONECT 3338 3322 CONECT 3339 3322 CONECT 3340 3323 CONECT 3341 3323 CONECT 3342 3327 CONECT 3343 3344 3345 3346 CONECT 3344 3343 CONECT 3345 3343 3347 3348 3349 CONECT 3346 3343 3350 3351 3352 CONECT 3347 3345 CONECT 3348 3345 CONECT 3349 3345 CONECT 3350 3346 CONECT 3351 3346 CONECT 3352 3346 CONECT 3359 3297 CONECT 3419 3296 CONECT 3533 3296 CONECT 3854 3300 END