USER MOD reduce.3.24.130724 H: found=0, std=0, add=1664, rem=0, adj=73 USER MOD reduce.3.24.130724 removed 2079 hydrogens (432 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2E TITLE RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF TITLE 2 SERINE PROTEASES COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.21.4; COMPND 5 OTHER_DETAILS: COMPLEXED WITH BIS(5-AMIDINO-2- COMPND 6 BENZIMIDAZOLYL)METHANE KETONE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS ZN(II)-MEDIATED SERINE PROTEASE INHIBITORS, PH DEPENDENCE, KEYWDS 2 ZN(II) AFFINITY STUCTURE-BASED DRUG DESIGN, SERINE KEYWDS 3 PROTEASE/INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.A.KATZ,C.LUONG REVDAT 4 02-MAR-10 1C2E 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2E 1 VERSN REVDAT 2 26-SEP-01 1C2E 3 ATOM REVDAT 1 26-JUL-00 1C2E 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. 1.65 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.65 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 69.0 REMARK 3 NUMBER OF REFLECTIONS : 16225 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) : 0.179 REMARK 3 FREE R VALUE : 0.212 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1622 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.65 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.72 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 32.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 856 REMARK 3 BIN R VALUE (WORKING SET) : 0.3610 REMARK 3 BIN FREE R VALUE : 0.3820 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 94 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 : 3306 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 45 REMARK 3 SOLVENT ATOMS : 624 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) : 26.10 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_KBZN90.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZN90.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 1C2E 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 RCSB001251. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-FEB-97 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 9.00 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 : 18642 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.380 REMARK 200 RESOLUTION RANGE LOW (A) : 54.880 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.300 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 68.0 REMARK 200 DATA REDUNDANCY : 2.800 REMARK 200 R MERGE (I) : 0.08700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.72 REMARK 200 COMPLETENESS FOR SHELL (%) : 32.8 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.23700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER PLUS REMARK 200 REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR, QUANTA, INSIGHTII REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 REMARK 280 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO: CRYSTALLIZATION SOLUTION REMARK 280 WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED TO REMARK 280 SYNTHETIC MOTHER LIQUOR CONTAINING ~0.4 MM ZN(II), PH 9.00 AND REMARK 280 SOAKED FOR SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING REMARK 280 SOLUTIONS. THE SOLUTION WAS SATURATED IN KETO-BABIM AND REMARK 280 CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR SOLUBILITY. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 36.58667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 73.17333 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 73.17333 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 36.58667 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 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 SER A 170 CB OG 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 OH TYR A 94 H2 HOH A 314 1.53 REMARK 500 OE1 GLN A 210 H1 HOH A 301 1.53 REMARK 500 H1 HOH A 258 H1 HOH A 270 1.53 REMARK 500 O SER A 217 H1 HOH A 252 1.56 REMARK 500 HH12 ARG A 66 H2 HOH A 268 1.56 REMARK 500 O HOH A 267 H1 HOH A 309 1.60 REMARK 500 OH TYR A 29 H2 HOH A 280 1.60 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 -0.081 REMARK 500 HIS A 91 NE2 HIS A 91 CD2 -0.084 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 51 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 8.7 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CZ2 ANGL. DEV. = 7.0 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -7.0 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 8.3 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.9 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CZ2 ANGL. DEV. = 8.3 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 TYR A 228 CB - CG - CD1 ANGL. DEV. = -4.0 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 7.7 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 8.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 71 -79.71 -141.51 REMARK 500 SER A 195 130.54 -33.63 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 329 DISTANCE = 5.12 ANGSTROMS REMARK 525 HOH A 340 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH A 342 DISTANCE = 5.70 ANGSTROMS REMARK 525 HOH A 350 DISTANCE = 5.79 ANGSTROMS REMARK 525 HOH A 355 DISTANCE = 5.21 ANGSTROMS REMARK 525 HOH A 369 DISTANCE = 6.88 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 12.76 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.62 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.24 ANGSTROMS REMARK 525 HOH A 394 DISTANCE = 7.42 ANGSTROMS REMARK 525 HOH A 395 DISTANCE = 5.00 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.29 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 12.38 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.19 ANGSTROMS REMARK 525 HOH A 407 DISTANCE = 10.62 ANGSTROMS REMARK 525 HOH A 434 DISTANCE = 7.94 ANGSTROMS REMARK 525 HOH A 435 DISTANCE = 6.42 ANGSTROMS REMARK 525 HOH A 440 DISTANCE = 9.74 ANGSTROMS REMARK 525 HOH A 441 DISTANCE = 6.81 ANGSTROMS REMARK 525 HOH A 443 DISTANCE = 9.17 ANGSTROMS REMARK 525 HOH A 456 DISTANCE = 5.72 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 11.28 ANGSTROMS REMARK 525 HOH A 527 DISTANCE = 12.44 ANGSTROMS REMARK 525 HOH A 528 DISTANCE = 6.81 ANGSTROMS REMARK 525 HOH A 529 DISTANCE = 10.39 ANGSTROMS REMARK 525 HOH A 553 DISTANCE = 9.28 ANGSTROMS REMARK 525 HOH A 582 DISTANCE = 6.60 ANGSTROMS REMARK 525 HOH A 589 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH A 590 DISTANCE = 9.84 ANGSTROMS REMARK 525 HOH A 595 DISTANCE = 9.50 ANGSTROMS REMARK 525 HOH A 605 DISTANCE = 7.57 ANGSTROMS REMARK 525 HOH A 620 DISTANCE = 8.98 ANGSTROMS REMARK 525 HOH A 681 DISTANCE = 5.39 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 HOH A 309 O REMARK 620 2 GLU A 80 OE2 73.6 REMARK 620 3 GLU A 70 OE1 84.9 94.2 REMARK 620 4 ASN A 72 O 91.7 165.1 87.1 REMARK 620 5 HOH A 271 O 159.1 89.9 83.5 105.0 REMARK 620 6 VAL A 75 O 104.6 87.3 170.3 94.0 87.0 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 ASP A 194 O REMARK 620 2 SER A 139 O 108.3 REMARK 620 3 HOH A 250 O 97.1 119.5 REMARK 620 4 GLN A 30 OE1 151.9 89.9 92.0 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 BAK A 246 N3 108.5 REMARK 620 3 BAK A 246 N3' 112.0 79.9 REMARK 620 4 HIS A 57 NE2 109.0 127.9 116.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 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 BAK A 246 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RELATED ID: 1C2F RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RELATED ID: 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 1C2E 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 BAK A 246 42 HETNAM CA CALCIUM ION HETNAM MG MAGNESIUM ION HETNAM ZN ZINC ION HETNAM BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE FORMUL 2 CA CA 2+ FORMUL 3 MG MG 2+ FORMUL 4 ZN ZN 2+ FORMUL 5 BAK C17 H16 N8 O 2+ FORMUL 6 HOH *208(H2 O) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 TYR A 234 SER A 244 1 11 SHEET 1 A 7 TYR A 20 THR A 21 0 SHEET 2 A 7 LYS A 156 PRO A 161 -1 N CYS A 157 O TYR A 20 SHEET 3 A 7 GLN A 135 GLY A 140 -1 N CYS A 136 O ALA A 160 SHEET 4 A 7 PRO A 198 CYS A 201 -1 O PRO A 198 N SER A 139 SHEET 5 A 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 B 7 GLN A 30 ASN A 34 -1 N VAL A 31 O GLY A 44 SHEET 4 B 7 GLN A 64 LEU A 67 -1 O GLN A 64 N ASN A 34 SHEET 5 B 7 GLN A 81 VAL A 90 -1 O GLN A 81 N LEU A 67 SHEET 6 B 7 MET A 104 LEU A 108 -1 O LEU A 105 N ILE A 89 SHEET 7 B 7 TRP A 51 SER A 54 -1 N VAL A 52 O ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.01 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.00 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.01 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.03 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.02 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.02 LINK CA CA A 247 O HOH A 309 1555 1555 2.37 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.46 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.44 LINK CA CA A 247 O ASN A 72 1555 1555 2.22 LINK CA CA A 247 O HOH A 271 1555 1555 2.35 LINK CA CA A 247 O VAL A 75 1555 1555 2.19 LINK MG MG A 263 O ASP A 194 1555 1555 2.86 LINK MG MG A 263 O SER A 139 1555 1555 2.70 LINK MG MG A 263 O HOH A 250 1555 1555 2.94 LINK MG MG A 263 OE1 GLN A 30 1555 1555 2.98 LINK ZN ZN A 409 OG SER A 195 1555 1555 2.30 LINK ZN ZN A 409 N3 BAK A 246 1555 1555 2.33 LINK ZN ZN A 409 N3' BAK A 246 1555 1555 2.31 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.32 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 BAK A 246 SITE *** AC4 12 ASP A 189 SER A 190 SER A 214 TRP A 215 SITE *** AC4 12 GLY A 216 GLY A 219 GLY A 226 HOH A 325 SITE *** AC4 12 HOH A 378 ZN A 409 HOH A 449 HOH A 532 CRYST1 54.970 54.970 109.760 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018192 0.010503 0.000000 0.00000 SCALE2 0.000000 0.021006 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009111 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 409 ZNZN :(H bumps) USER MOD Set 1.1: A 190 SER OG : rot -113:sc= 0.857 USER MOD Set 1.2: A 228 TYR OH : rot -27:sc= 1.78 USER MOD Set 2.1: A 164 SER OG : rot 180:sc= 0.24 USER MOD Set 2.2: A 166 SER OG : rot 50:sc= 0.212 USER MOD Set 2.3: A 167 SER OG : rot -92:sc= 0.116 USER MOD Set 3.1: A 20 TYR OH : rot 30:sc= 0.401 USER MOD Set 3.2: A 159 LYS NZ :NH3+ -162:sc= 0.402 (180deg=0) USER MOD Set 4.1: A 144 THR OG1 : rot 180:sc= -0.537 USER MOD Set 4.2: A 145 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.00616) USER MOD Set 5.1: A 30 GLN :FLIP amide:sc= 1.1 F(o=-1.9,f=2.9) USER MOD Set 5.2: A 139 SER OG : rot 86:sc= 1.8 USER MOD Set 6.1: A 101 ASN : amide:sc= 1.53 K(o=1.5,f=0.43) USER MOD Set 6.2: A 234 TYR OH : rot 4:sc= -0.0245 USER MOD Set 7.1: A 100 ASN : amide:sc= 0.986 K(o=2.3,f=-2) USER MOD Set 7.2: A 177 THR OG1 : rot 177:sc= 0.836 USER MOD Set 7.3: A 179 ASN : amide:sc= 0.389 K(o=2.3,f=0.29) USER MOD Set 7.4: A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.5: A 233 ASN : amide:sc= 0.105 K(o=2.3,f=0.84!) USER MOD Set 8.1: A 87 LYS NZ A:NH3+ -150:sc= 0.653 (180deg=0) USER MOD Set 8.2: A 87 LYS NZ B:NH3+ 145:sc= 0.168 (180deg=0) USER MOD Set 8.3: A 245 ASN : amide:sc= 1.45 K(o=2.3,f=-5.4!) USER MOD Set 9.1: A 59 TYR OH : rot 77:sc= 0.0887 USER MOD Set 9.2: A 61 SER OG C: rot 180:sc= 0.088 USER MOD Set10.1: A 37 SER OG : rot -83:sc= 1.4 USER MOD Set10.2: A 39 TYR OH : rot 30:sc= 0 USER MOD Set10.3: A 60 LYS NZ :NH3+ 174:sc= 1.69 (180deg=0.529) USER MOD Set11.1: A 32 SER OG : rot 52:sc= 2.38 USER MOD Set11.2: A 40 HIS : no HD1:sc= 1.2 K(o=3.6,f=-6.2!) USER MOD Set12.1: A 21 THR OG1 : rot 180:sc= 0.217 USER MOD Set12.2: A 156 LYS NZ :NH3+ -177:sc= 0.235 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.183 K(o=0.18,f=-0.57) USER MOD Single : A 26 THR OG1 : rot -100:sc= 1.3 USER MOD Single : A 29 TYR OH : rot -14:sc= 2.27 USER MOD Single : A 34 ASN : amide:sc= 0.59 K(o=0.59,f=-1.4!) USER MOD Single : A 45 SER OG : rot 98:sc= -1.69! USER MOD Single : A 48 ASN :FLIP amide:sc= -0.181 F(o=-4.8!,f=-0.18) USER MOD Single : A 49 SER OG A: rot -90:sc= 0.428 USER MOD Single : A 49 SER OG B: rot 180:sc= 0.0814 USER MOD Single : A 50 GLN : amide:sc= 0.214 X(o=0.21,f=0.63) USER MOD Single : A 54 SER OG : rot 100:sc= 0.571 USER MOD Single : A 61 SER OG A: rot 180:sc= 0 USER MOD Single : A 61 SER OG B: rot 180:sc= 0.0285 USER MOD Single : A 64 GLN : amide:sc= -0.391 K(o=-0.39,f=-7.3!) USER MOD Single : A 72 ASN : amide:sc= 0.0866 K(o=0.087,f=-9.5!) USER MOD Single : A 74 ASN : amide:sc= 0.512 K(o=0.51,f=-1.7!) USER MOD Single : A 79 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.9) USER MOD Single : A 81 GLN : amide:sc= 0.687 K(o=0.69,f=-3.3!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 1.07 K(o=1.1,f=-6.6!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 35:sc= 1.75 USER MOD Single : A 95 ASN : amide:sc= -0.127 K(o=-0.13,f=-5.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.141 F(o=-0.8,f=-0.14) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 104 MET CE A:methyl -125:sc= -0.0222 (180deg=-1.12) USER MOD Single : A 104 MET CE B:methyl -141:sc= -1.95 (180deg=-3.75!) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 1.45 (180deg=1.4) 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= -0.0212 K(o=-0.021,f=-9.5!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 120 SER OG : rot -95:sc= 0.156 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0797 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 134 THR OG1 : rot 95:sc= 0.568 USER MOD Single : A 135 GLN : amide:sc= -1.91! X(o=-1.9!,f=-1.9) USER MOD Single : A 143 ASN : amide:sc= 0.726 K(o=0.73,f=-4.5!) USER MOD Single : A 146 SER OG : rot 83:sc= 0.0718 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG A: rot 180:sc= 0 USER MOD Single : A 170 SER OG B: rot 100:sc= 1.25 USER MOD Single : A 172 TYR OH : rot 20:sc= 0.502 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 178 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 184 TYR OH : rot 18:sc= 0.0622 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= 0.514 K(o=0.51,f=-1.5) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 GLN : amide:sc= 0.294 X(o=0.29,f=0.71) USER MOD Single : A 214 SER OG : rot 79:sc= 1.83 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.1) USER MOD Single : A 224 LYS NZ A:NH3+ -174:sc= 0.087 (180deg=0.0789) USER MOD Single : A 224 LYS NZ B:NH3+ -168:sc= 0.272 (180deg=0.237) USER MOD Single : A 229 THR OG1 : rot -167:sc= 0.596 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc= 0.0279 USER MOD Single : A 236 SER OG B: rot 72:sc= 0.889 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=-0.085) USER MOD Single : A 241 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 244 SER OG : rot 95:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.799 15.778 48.403 1.00 13.15 N ATOM 2 CA ILE A 16 51.670 14.587 49.275 1.00 17.07 C ATOM 3 C ILE A 16 52.948 14.637 50.105 1.00 18.84 C ATOM 4 O ILE A 16 54.003 14.799 49.542 1.00 15.11 O ATOM 5 CB ILE A 16 51.641 13.296 48.427 1.00 20.13 C ATOM 6 CG1 ILE A 16 50.394 13.153 47.438 1.00 19.99 C ATOM 7 CG2 ILE A 16 51.685 12.074 49.355 1.00 21.49 C ATOM 8 CD1 ILE A 16 49.047 12.845 48.162 1.00 21.24 C ATOM 0 HA ILE A 16 50.858 14.586 49.806 1.00 17.07 H new ATOM 0 HB ILE A 16 52.424 13.349 47.856 1.00 20.13 H new ATOM 0 HG12 ILE A 16 50.298 13.974 46.931 1.00 19.99 H new ATOM 0 HG13 ILE A 16 50.578 12.446 46.800 1.00 19.99 H new ATOM 0 HG21 ILE A 16 51.667 11.263 48.823 1.00 21.49 H new ATOM 0 HG22 ILE A 16 52.499 12.097 49.882 1.00 21.49 H new ATOM 0 HG23 ILE A 16 50.917 12.089 49.947 1.00 21.49 H new ATOM 0 HD11 ILE A 16 48.336 12.771 47.506 1.00 21.24 H new ATOM 0 HD12 ILE A 16 49.125 12.010 48.649 1.00 21.24 H new ATOM 0 HD13 ILE A 16 48.841 13.562 48.782 1.00 21.24 H new ATOM 22 N VAL A 17 52.809 14.487 51.386 1.00 20.10 N ATOM 23 CA VAL A 17 53.974 14.526 52.312 1.00 22.92 C ATOM 24 C VAL A 17 54.124 13.117 52.891 1.00 22.11 C ATOM 25 O VAL A 17 53.147 12.563 53.342 1.00 22.87 O ATOM 26 CB VAL A 17 53.683 15.568 53.472 1.00 21.83 C ATOM 27 CG1 VAL A 17 54.883 15.722 54.397 1.00 23.29 C ATOM 28 CG2 VAL A 17 53.291 16.979 52.940 1.00 24.22 C ATOM 0 H VAL A 17 52.052 14.358 51.774 1.00 20.10 H new ATOM 0 HA VAL A 17 54.786 14.797 51.856 1.00 22.92 H new ATOM 0 HB VAL A 17 52.929 15.201 53.960 1.00 21.83 H new ATOM 0 HG11 VAL A 17 54.674 16.364 55.094 1.00 23.29 H new ATOM 0 HG12 VAL A 17 55.093 14.865 54.800 1.00 23.29 H new ATOM 0 HG13 VAL A 17 55.647 16.035 53.887 1.00 23.29 H new ATOM 0 HG21 VAL A 17 53.125 17.573 53.689 1.00 24.22 H new ATOM 0 HG22 VAL A 17 54.015 17.334 52.400 1.00 24.22 H new ATOM 0 HG23 VAL A 17 52.489 16.910 52.399 1.00 24.22 H new ATOM 38 N GLY A 18 55.314 12.590 52.846 1.00 26.43 N ATOM 39 CA GLY A 18 55.622 11.224 53.392 1.00 25.84 C ATOM 40 C GLY A 18 55.132 10.111 52.479 1.00 25.56 C ATOM 41 O GLY A 18 54.893 9.011 52.950 1.00 30.53 O ATOM 0 H GLY A 18 55.994 12.989 52.503 1.00 26.43 H new ATOM 0 HA2 GLY A 18 56.580 11.137 53.518 1.00 25.84 H new ATOM 0 HA3 GLY A 18 55.211 11.127 54.265 1.00 25.84 H new ATOM 45 N GLY A 19 55.014 10.395 51.211 1.00 24.16 N ATOM 46 CA GLY A 19 54.526 9.356 50.246 1.00 18.71 C ATOM 47 C GLY A 19 55.679 8.869 49.426 1.00 18.10 C ATOM 48 O GLY A 19 56.821 9.139 49.773 1.00 19.53 O ATOM 0 H GLY A 19 55.199 11.159 50.862 1.00 24.16 H new ATOM 0 HA2 GLY A 19 54.121 8.617 50.726 1.00 18.71 H new ATOM 0 HA3 GLY A 19 53.840 9.730 49.671 1.00 18.71 H new ATOM 52 N TYR A 20 55.365 8.163 48.375 1.00 18.52 N ATOM 53 CA TYR A 20 56.434 7.620 47.478 1.00 17.09 C ATOM 54 C TYR A 20 56.059 7.908 46.071 1.00 15.04 C ATOM 55 O TYR A 20 54.933 8.273 45.839 1.00 16.35 O ATOM 56 CB TYR A 20 56.544 6.113 47.663 1.00 19.48 C ATOM 57 CG TYR A 20 55.175 5.408 47.486 1.00 19.73 C ATOM 58 CD1 TYR A 20 54.802 4.918 46.269 1.00 20.45 C ATOM 59 CD2 TYR A 20 54.297 5.255 48.546 1.00 21.69 C ATOM 60 CE1 TYR A 20 53.587 4.298 46.132 1.00 21.51 C ATOM 61 CE2 TYR A 20 53.080 4.631 48.401 1.00 19.62 C ATOM 62 CZ TYR A 20 52.726 4.155 47.207 1.00 19.10 C ATOM 63 OH TYR A 20 51.505 3.535 47.121 1.00 25.17 O ATOM 0 H TYR A 20 54.561 7.971 48.138 1.00 18.52 H new ATOM 0 HA TYR A 20 57.285 8.032 47.694 1.00 17.09 H new ATOM 0 HB2 TYR A 20 57.178 5.754 47.022 1.00 19.48 H new ATOM 0 HB3 TYR A 20 56.895 5.921 48.547 1.00 19.48 H new ATOM 0 HD1 TYR A 20 55.369 5.004 45.536 1.00 20.45 H new ATOM 0 HD2 TYR A 20 54.538 5.584 49.382 1.00 21.69 H new ATOM 0 HE1 TYR A 20 53.336 3.967 45.300 1.00 21.51 H new ATOM 0 HE2 TYR A 20 52.509 4.542 49.130 1.00 19.62 H new ATOM 0 HH TYR A 20 51.533 2.943 46.526 1.00 25.17 H new ATOM 73 N THR A 21 56.964 7.740 45.167 1.00 19.86 N ATOM 74 CA THR A 21 56.703 7.992 43.721 1.00 18.15 C ATOM 75 C THR A 21 55.812 6.846 43.283 1.00 18.75 C ATOM 76 O THR A 21 56.183 5.706 43.470 1.00 24.79 O ATOM 77 CB THR A 21 58.081 7.994 42.977 1.00 19.10 C ATOM 78 OG1 THR A 21 58.828 9.092 43.519 1.00 20.16 O ATOM 79 CG2 THR A 21 57.950 8.273 41.479 1.00 20.86 C ATOM 0 H THR A 21 57.764 7.476 45.338 1.00 19.86 H new ATOM 0 HA THR A 21 56.273 8.841 43.532 1.00 18.15 H new ATOM 0 HB THR A 21 58.491 7.122 43.093 1.00 19.10 H new ATOM 0 HG1 THR A 21 59.580 9.130 43.147 1.00 20.16 H new ATOM 0 HG21 THR A 21 58.829 8.263 41.070 1.00 20.86 H new ATOM 0 HG22 THR A 21 57.395 7.591 41.070 1.00 20.86 H new ATOM 0 HG23 THR A 21 57.542 9.143 41.346 1.00 20.86 H new ATOM 87 N CYS A 22 54.690 7.165 42.716 1.00 17.63 N ATOM 88 CA CYS A 22 53.728 6.114 42.245 1.00 20.87 C ATOM 89 C CYS A 22 54.251 5.172 41.169 1.00 22.80 C ATOM 90 O CYS A 22 54.128 3.961 41.228 1.00 26.52 O ATOM 91 CB CYS A 22 52.503 6.767 41.687 1.00 16.33 C ATOM 92 SG CYS A 22 51.663 7.912 42.785 1.00 15.34 S ATOM 0 H CYS A 22 54.432 7.974 42.577 1.00 17.63 H new ATOM 0 HA CYS A 22 53.557 5.579 43.036 1.00 20.87 H new ATOM 0 HB2 CYS A 22 52.750 7.242 40.878 1.00 16.33 H new ATOM 0 HB3 CYS A 22 51.876 6.073 41.428 1.00 16.33 H new ATOM 97 N GLY A 23 54.798 5.804 40.197 1.00 21.54 N ATOM 98 CA GLY A 23 55.366 5.111 39.043 1.00 21.97 C ATOM 99 C GLY A 23 54.517 5.657 37.931 1.00 21.63 C ATOM 100 O GLY A 23 53.340 5.904 38.110 1.00 19.86 O ATOM 0 H GLY A 23 54.865 6.661 40.162 1.00 21.54 H new ATOM 0 HA2 GLY A 23 56.306 5.314 38.920 1.00 21.97 H new ATOM 0 HA3 GLY A 23 55.292 4.147 39.121 1.00 21.97 H new ATOM 104 N ALA A 24 55.164 5.827 36.824 1.00 21.19 N ATOM 105 CA ALA A 24 54.496 6.354 35.618 1.00 22.17 C ATOM 106 C ALA A 24 53.245 5.564 35.260 1.00 23.59 C ATOM 107 O ALA A 24 53.308 4.368 35.043 1.00 22.85 O ATOM 108 CB ALA A 24 55.441 6.302 34.392 1.00 21.64 C ATOM 0 H ALA A 24 55.999 5.650 36.721 1.00 21.19 H new ATOM 0 HA ALA A 24 54.254 7.269 35.829 1.00 22.17 H new ATOM 0 HB1 ALA A 24 54.981 6.653 33.613 1.00 21.64 H new ATOM 0 HB2 ALA A 24 56.230 6.837 34.569 1.00 21.64 H new ATOM 0 HB3 ALA A 24 55.704 5.384 34.225 1.00 21.64 H new ATOM 114 N ASN A 25 52.164 6.330 35.242 1.00 22.91 N ATOM 115 CA ASN A 25 50.819 5.810 34.890 1.00 20.91 C ATOM 116 C ASN A 25 50.298 4.643 35.742 1.00 22.50 C ATOM 117 O ASN A 25 49.599 3.787 35.231 1.00 19.02 O ATOM 118 CB ASN A 25 50.878 5.405 33.420 1.00 23.06 C ATOM 119 CG ASN A 25 51.478 6.554 32.563 1.00 21.97 C ATOM 120 OD1 ASN A 25 52.545 6.457 31.991 1.00 22.07 O ATOM 121 ND2 ASN A 25 50.838 7.677 32.438 1.00 21.32 N ATOM 0 H ASN A 25 52.175 7.169 35.432 1.00 22.91 H new ATOM 0 HA ASN A 25 50.182 6.519 35.070 1.00 20.91 H new ATOM 0 HB2 ASN A 25 51.417 4.605 33.321 1.00 23.06 H new ATOM 0 HB3 ASN A 25 49.987 5.188 33.102 1.00 23.06 H new ATOM 0 HD21 ASN A 25 51.173 8.313 31.965 1.00 21.32 H new ATOM 0 HD22 ASN A 25 50.079 7.785 32.828 1.00 21.32 H new ATOM 128 N THR A 26 50.634 4.557 36.983 1.00 22.38 N ATOM 129 CA THR A 26 50.114 3.446 37.834 1.00 21.16 C ATOM 130 C THR A 26 48.733 3.811 38.470 1.00 21.49 C ATOM 131 O THR A 26 48.067 2.979 39.063 1.00 23.31 O ATOM 132 CB THR A 26 51.205 3.166 38.904 1.00 21.82 C ATOM 133 OG1 THR A 26 51.533 4.470 39.366 1.00 23.77 O ATOM 134 CG2 THR A 26 52.504 2.596 38.230 1.00 19.58 C ATOM 0 H THR A 26 51.156 5.109 37.386 1.00 22.38 H new ATOM 0 HA THR A 26 49.947 2.648 37.308 1.00 21.16 H new ATOM 0 HB THR A 26 50.902 2.540 39.580 1.00 21.82 H new ATOM 0 HG1 THR A 26 52.243 4.727 38.999 1.00 23.77 H new ATOM 0 HG21 THR A 26 53.174 2.427 38.910 1.00 19.58 H new ATOM 0 HG22 THR A 26 52.294 1.768 37.771 1.00 19.58 H new ATOM 0 HG23 THR A 26 52.847 3.241 37.592 1.00 19.58 H new ATOM 142 N VAL A 27 48.349 5.051 38.324 1.00 19.07 N ATOM 143 CA VAL A 27 47.059 5.623 38.843 1.00 17.55 C ATOM 144 C VAL A 27 46.420 6.207 37.558 1.00 20.87 C ATOM 145 O VAL A 27 46.400 7.408 37.355 1.00 21.37 O ATOM 146 CB VAL A 27 47.377 6.736 39.883 1.00 18.26 C ATOM 147 CG1 VAL A 27 46.102 7.160 40.600 1.00 16.55 C ATOM 148 CG2 VAL A 27 48.375 6.199 40.921 1.00 17.64 C ATOM 0 H VAL A 27 48.827 5.632 37.909 1.00 19.07 H new ATOM 0 HA VAL A 27 46.480 4.989 39.294 1.00 17.55 H new ATOM 0 HB VAL A 27 47.757 7.499 39.420 1.00 18.26 H new ATOM 0 HG11 VAL A 27 46.309 7.853 41.246 1.00 16.55 H new ATOM 0 HG12 VAL A 27 45.465 7.501 39.953 1.00 16.55 H new ATOM 0 HG13 VAL A 27 45.719 6.396 41.058 1.00 16.55 H new ATOM 0 HG21 VAL A 27 48.573 6.893 41.569 1.00 17.64 H new ATOM 0 HG22 VAL A 27 47.989 5.434 41.375 1.00 17.64 H new ATOM 0 HG23 VAL A 27 49.193 5.931 40.475 1.00 17.64 H new ATOM 158 N PRO A 28 45.924 5.365 36.694 1.00 16.00 N ATOM 159 CA PRO A 28 45.519 5.817 35.341 1.00 15.85 C ATOM 160 C PRO A 28 44.282 6.745 35.301 1.00 13.29 C ATOM 161 O PRO A 28 43.984 7.325 34.275 1.00 14.96 O ATOM 162 CB PRO A 28 45.355 4.490 34.609 1.00 16.48 C ATOM 163 CG PRO A 28 44.862 3.497 35.719 1.00 16.39 C ATOM 164 CD PRO A 28 45.714 3.895 36.925 1.00 17.37 C ATOM 0 HA PRO A 28 46.168 6.406 34.925 1.00 15.85 H new ATOM 0 HB2 PRO A 28 44.712 4.561 33.886 1.00 16.48 H new ATOM 0 HB3 PRO A 28 46.192 4.196 34.217 1.00 16.48 H new ATOM 0 HG2 PRO A 28 43.914 3.598 35.898 1.00 16.39 H new ATOM 0 HG3 PRO A 28 45.006 2.572 35.465 1.00 16.39 H new ATOM 0 HD2 PRO A 28 45.258 3.721 37.764 1.00 17.37 H new ATOM 0 HD3 PRO A 28 46.553 3.409 36.952 1.00 17.37 H new ATOM 172 N TYR A 29 43.607 6.855 36.406 1.00 10.25 N ATOM 173 CA TYR A 29 42.376 7.719 36.500 1.00 12.25 C ATOM 174 C TYR A 29 42.698 9.105 37.072 1.00 12.86 C ATOM 175 O TYR A 29 41.796 9.918 37.209 1.00 8.23 O ATOM 176 CB TYR A 29 41.297 7.007 37.422 1.00 10.90 C ATOM 177 CG TYR A 29 41.921 6.594 38.787 1.00 12.54 C ATOM 178 CD1 TYR A 29 42.118 7.510 39.811 1.00 10.60 C ATOM 179 CD2 TYR A 29 42.337 5.277 38.996 1.00 9.41 C ATOM 180 CE1 TYR A 29 42.719 7.124 41.000 1.00 13.13 C ATOM 181 CE2 TYR A 29 42.935 4.903 40.186 1.00 11.05 C ATOM 182 CZ TYR A 29 43.138 5.816 41.205 1.00 11.32 C ATOM 183 OH TYR A 29 43.747 5.469 42.399 1.00 14.25 O ATOM 0 H TYR A 29 43.814 6.452 37.137 1.00 10.25 H new ATOM 0 HA TYR A 29 42.026 7.838 35.603 1.00 12.25 H new ATOM 0 HB2 TYR A 29 40.548 7.605 37.572 1.00 10.90 H new ATOM 0 HB3 TYR A 29 40.947 6.223 36.971 1.00 10.90 H new ATOM 0 HD1 TYR A 29 41.844 8.392 39.699 1.00 10.60 H new ATOM 0 HD2 TYR A 29 42.210 4.644 38.327 1.00 9.41 H new ATOM 0 HE1 TYR A 29 42.844 7.753 41.673 1.00 13.13 H new ATOM 0 HE2 TYR A 29 43.206 4.021 40.303 1.00 11.05 H new ATOM 0 HH TYR A 29 43.962 6.165 42.817 1.00 14.25 H new ATOM 193 N GLN A 30 43.961 9.319 37.375 1.00 12.23 N ATOM 194 CA GLN A 30 44.404 10.637 37.951 1.00 14.80 C ATOM 195 C GLN A 30 44.542 11.634 36.813 1.00 12.49 C ATOM 196 O GLN A 30 45.058 11.341 35.743 1.00 13.00 O ATOM 197 CB GLN A 30 45.792 10.489 38.664 1.00 14.59 C ATOM 198 CG GLN A 30 46.471 11.854 39.138 1.00 15.50 C ATOM 199 CD GLN A 30 45.946 12.357 40.469 1.00 13.22 C ATOM 200 OE1 GLN A 30 46.001 11.503 41.429 1.00 12.31 O flip ATOM 201 NE2 GLN A 30 45.504 13.481 40.644 1.00 11.20 N flip ATOM 0 H GLN A 30 44.590 8.743 37.268 1.00 12.23 H new ATOM 0 HA GLN A 30 43.750 10.938 38.601 1.00 14.80 H new ATOM 0 HB2 GLN A 30 45.681 9.916 39.438 1.00 14.59 H new ATOM 0 HB3 GLN A 30 46.401 10.036 38.061 1.00 14.59 H new ATOM 0 HG2 GLN A 30 47.430 11.725 39.204 1.00 15.50 H new ATOM 0 HG3 GLN A 30 46.323 12.533 38.462 1.00 15.50 H new ATOM 0 HE21 GLN A 30 45.475 14.038 39.990 1.00 11.20 H new ATOM 0 HE22 GLN A 30 45.221 13.716 41.422 1.00 11.20 H new ATOM 210 N VAL A 31 43.991 12.819 37.130 1.00 10.80 N ATOM 211 CA VAL A 31 44.041 13.916 36.145 1.00 14.75 C ATOM 212 C VAL A 31 44.745 15.131 36.873 1.00 14.52 C ATOM 213 O VAL A 31 44.781 15.199 38.092 1.00 12.59 O ATOM 214 CB AVAL A 31 42.573 14.177 35.870 0.64 17.07 C ATOM 215 CB BVAL A 31 42.625 14.437 35.604 0.45 18.41 C ATOM 216 CG1AVAL A 31 42.293 15.249 34.889 0.64 16.58 C ATOM 217 CG1BVAL A 31 41.876 13.326 34.793 0.45 19.99 C ATOM 218 CG2AVAL A 31 41.771 12.859 35.538 0.64 17.51 C ATOM 219 CG2BVAL A 31 41.743 14.899 36.682 0.45 18.57 C ATOM 0 H VAL A 31 43.601 13.003 37.874 1.00 10.80 H new ATOM 0 HA VAL A 31 44.525 13.745 35.322 1.00 14.75 H new ATOM 0 HB AVAL A 31 42.243 14.522 36.714 0.64 18.41 H new ATOM 0 HB BVAL A 31 42.829 15.188 35.025 0.45 18.41 H new ATOM 0 HG11AVAL A 31 41.334 15.344 34.778 0.64 19.99 H new ATOM 0 HG11BVAL A 31 41.025 13.671 34.480 0.45 19.99 H new ATOM 0 HG12AVAL A 31 42.665 16.086 35.209 0.64 19.99 H new ATOM 0 HG12BVAL A 31 42.416 13.061 34.032 0.45 19.99 H new ATOM 0 HG13AVAL A 31 42.696 15.021 34.037 0.64 19.99 H new ATOM 0 HG13BVAL A 31 41.722 12.557 35.364 0.45 19.99 H new ATOM 0 HG21AVAL A 31 40.841 13.079 35.371 0.64 18.57 H new ATOM 0 HG21BVAL A 31 40.903 15.203 36.305 0.45 18.57 H new ATOM 0 HG22AVAL A 31 42.150 12.439 34.750 0.64 18.57 H new ATOM 0 HG22BVAL A 31 41.575 14.169 37.298 0.45 18.57 H new ATOM 0 HG23AVAL A 31 41.828 12.248 36.289 0.64 18.57 H new ATOM 0 HG23BVAL A 31 42.167 15.631 37.156 0.45 18.57 H new ATOM 236 N SER A 32 45.271 16.034 36.092 1.00 11.88 N ATOM 237 CA SER A 32 45.993 17.245 36.534 1.00 11.90 C ATOM 238 C SER A 32 45.133 18.309 35.831 1.00 11.03 C ATOM 239 O SER A 32 44.909 18.211 34.632 1.00 7.24 O ATOM 240 CB SER A 32 47.434 17.331 35.963 1.00 10.46 C ATOM 241 OG SER A 32 47.962 18.639 36.225 1.00 8.48 O ATOM 0 H SER A 32 45.226 15.974 35.235 1.00 11.88 H new ATOM 0 HA SER A 32 46.095 17.307 37.497 1.00 11.90 H new ATOM 0 HB2 SER A 32 47.997 16.654 36.371 1.00 10.46 H new ATOM 0 HB3 SER A 32 47.427 17.157 35.009 1.00 10.46 H new ATOM 0 HG SER A 32 47.869 18.821 37.040 1.00 8.48 H new ATOM 247 N LEU A 33 44.686 19.270 36.583 1.00 12.25 N ATOM 248 CA LEU A 33 43.862 20.382 36.035 1.00 12.47 C ATOM 249 C LEU A 33 44.955 21.459 35.858 1.00 9.02 C ATOM 250 O LEU A 33 45.735 21.774 36.746 1.00 9.76 O ATOM 251 CB LEU A 33 42.836 20.887 37.041 1.00 14.95 C ATOM 252 CG LEU A 33 41.870 19.752 37.496 1.00 14.45 C ATOM 253 CD1 LEU A 33 40.801 20.413 38.443 1.00 16.38 C ATOM 254 CD2 LEU A 33 41.180 19.026 36.289 1.00 15.12 C ATOM 0 H LEU A 33 44.835 19.324 37.428 1.00 12.25 H new ATOM 0 HA LEU A 33 43.354 20.139 35.245 1.00 12.47 H new ATOM 0 HB2 LEU A 33 43.293 21.253 37.814 1.00 14.95 H new ATOM 0 HB3 LEU A 33 42.324 21.610 36.646 1.00 14.95 H new ATOM 0 HG LEU A 33 42.372 19.063 37.958 1.00 14.45 H new ATOM 0 HD11 LEU A 33 40.177 19.736 38.750 1.00 16.38 H new ATOM 0 HD12 LEU A 33 41.247 20.811 39.207 1.00 16.38 H new ATOM 0 HD13 LEU A 33 40.319 21.100 37.957 1.00 16.38 H new ATOM 0 HD21 LEU A 33 40.591 18.331 36.623 1.00 15.12 H new ATOM 0 HD22 LEU A 33 40.664 19.668 35.777 1.00 15.12 H new ATOM 0 HD23 LEU A 33 41.858 18.629 35.720 1.00 15.12 H new ATOM 266 N ASN A 34 44.967 21.988 34.685 1.00 14.36 N ATOM 267 CA ASN A 34 45.972 23.031 34.324 1.00 14.68 C ATOM 268 C ASN A 34 45.372 24.350 33.783 1.00 14.09 C ATOM 269 O ASN A 34 44.502 24.289 32.933 1.00 12.54 O ATOM 270 CB ASN A 34 46.907 22.332 33.262 1.00 14.91 C ATOM 271 CG ASN A 34 48.066 23.176 32.707 1.00 15.47 C ATOM 272 OD1 ASN A 34 47.871 24.125 31.979 1.00 11.80 O ATOM 273 ND2 ASN A 34 49.281 22.860 33.029 1.00 13.72 N ATOM 0 H ASN A 34 44.418 21.784 34.055 1.00 14.36 H new ATOM 0 HA ASN A 34 46.448 23.324 35.117 1.00 14.68 H new ATOM 0 HB2 ASN A 34 47.280 21.532 33.665 1.00 14.91 H new ATOM 0 HB3 ASN A 34 46.357 22.044 32.517 1.00 14.91 H new ATOM 0 HD21 ASN A 34 49.940 23.322 32.727 1.00 13.72 H new ATOM 0 HD22 ASN A 34 49.428 22.188 33.545 1.00 13.72 H new ATOM 280 N SER A 37 45.807 25.489 34.260 1.00 15.00 N ATOM 281 CA SER A 37 45.262 26.778 33.724 1.00 15.59 C ATOM 282 C SER A 37 46.531 27.598 33.420 1.00 16.93 C ATOM 283 O SER A 37 46.676 28.764 33.761 1.00 17.33 O ATOM 284 CB SER A 37 44.405 27.484 34.776 1.00 16.96 C ATOM 285 OG SER A 37 45.195 27.501 35.967 1.00 19.13 O ATOM 0 H SER A 37 46.400 25.569 34.877 1.00 15.00 H new ATOM 0 HA SER A 37 44.690 26.656 32.950 1.00 15.59 H new ATOM 0 HB2 SER A 37 44.179 28.384 34.495 1.00 16.96 H new ATOM 0 HB3 SER A 37 43.569 27.013 34.919 1.00 16.96 H new ATOM 0 HG SER A 37 45.108 26.770 36.372 1.00 19.13 H new ATOM 291 N GLY A 38 47.439 26.898 32.778 1.00 19.41 N ATOM 292 CA GLY A 38 48.748 27.478 32.384 1.00 16.22 C ATOM 293 C GLY A 38 49.864 26.863 33.269 1.00 14.62 C ATOM 294 O GLY A 38 51.031 27.094 33.002 1.00 15.35 O ATOM 0 H GLY A 38 47.335 26.075 32.550 1.00 19.41 H new ATOM 0 HA2 GLY A 38 48.926 27.297 31.448 1.00 16.22 H new ATOM 0 HA3 GLY A 38 48.732 28.442 32.488 1.00 16.22 H new ATOM 298 N TYR A 39 49.433 26.132 34.272 1.00 14.84 N ATOM 299 CA TYR A 39 50.283 25.423 35.277 1.00 12.47 C ATOM 300 C TYR A 39 49.297 24.502 36.008 1.00 13.80 C ATOM 301 O TYR A 39 48.085 24.679 35.954 1.00 10.36 O ATOM 302 CB TYR A 39 50.947 26.400 36.353 1.00 13.14 C ATOM 303 CG TYR A 39 49.891 27.407 36.841 1.00 12.29 C ATOM 304 CD1 TYR A 39 49.663 28.551 36.115 1.00 14.71 C ATOM 305 CD2 TYR A 39 49.115 27.163 37.938 1.00 16.48 C ATOM 306 CE1 TYR A 39 48.684 29.425 36.458 1.00 14.63 C ATOM 307 CE2 TYR A 39 48.125 28.039 38.295 1.00 16.39 C ATOM 308 CZ TYR A 39 47.903 29.169 37.551 1.00 19.59 C ATOM 309 OH TYR A 39 46.868 30.017 37.887 1.00 22.48 O ATOM 0 H TYR A 39 48.593 26.014 34.415 1.00 14.84 H new ATOM 0 HA TYR A 39 51.020 24.973 34.835 1.00 12.47 H new ATOM 0 HB2 TYR A 39 51.292 25.888 37.101 1.00 13.14 H new ATOM 0 HB3 TYR A 39 51.699 26.869 35.959 1.00 13.14 H new ATOM 0 HD1 TYR A 39 50.192 28.730 35.371 1.00 14.71 H new ATOM 0 HD2 TYR A 39 49.260 26.397 38.446 1.00 16.48 H new ATOM 0 HE1 TYR A 39 48.545 30.193 35.953 1.00 14.63 H new ATOM 0 HE2 TYR A 39 47.602 27.867 39.044 1.00 16.39 H new ATOM 0 HH TYR A 39 46.563 30.376 37.192 1.00 22.48 H new ATOM 319 N HIS A 40 49.862 23.557 36.695 1.00 16.04 N ATOM 320 CA HIS A 40 49.073 22.569 37.448 1.00 10.03 C ATOM 321 C HIS A 40 48.550 23.239 38.693 1.00 12.94 C ATOM 322 O HIS A 40 49.314 23.860 39.408 1.00 11.39 O ATOM 323 CB HIS A 40 49.995 21.370 37.802 1.00 13.55 C ATOM 324 CG HIS A 40 49.346 20.534 38.945 1.00 11.63 C ATOM 325 ND1 HIS A 40 48.436 19.619 38.684 1.00 14.79 N ATOM 326 CD2 HIS A 40 49.557 20.618 40.307 1.00 10.84 C ATOM 327 CE1 HIS A 40 48.097 19.154 39.856 1.00 12.86 C ATOM 328 NE2 HIS A 40 48.752 19.738 40.803 1.00 14.25 N ATOM 0 H HIS A 40 50.713 23.450 36.753 1.00 16.04 H new ATOM 0 HA HIS A 40 48.323 22.239 36.929 1.00 10.03 H new ATOM 0 HB2 HIS A 40 50.133 20.814 37.019 1.00 13.55 H new ATOM 0 HB3 HIS A 40 50.867 21.691 38.079 1.00 13.55 H new ATOM 0 HD2 HIS A 40 50.143 21.179 40.762 1.00 10.84 H new ATOM 0 HE1 HIS A 40 47.464 18.486 39.992 1.00 12.86 H new ATOM 0 HE2 HIS A 40 48.665 19.566 41.641 1.00 14.25 H new ATOM 336 N PHE A 41 47.279 23.139 38.965 1.00 13.02 N ATOM 337 CA PHE A 41 46.776 23.791 40.212 1.00 12.96 C ATOM 338 C PHE A 41 45.938 22.786 41.018 1.00 12.98 C ATOM 339 O PHE A 41 45.795 22.969 42.212 1.00 15.39 O ATOM 340 CB PHE A 41 45.964 25.054 39.830 1.00 14.94 C ATOM 341 CG PHE A 41 44.656 24.758 39.103 1.00 17.35 C ATOM 342 CD1 PHE A 41 43.510 24.490 39.842 1.00 18.23 C ATOM 343 CD2 PHE A 41 44.597 24.748 37.715 1.00 18.02 C ATOM 344 CE1 PHE A 41 42.330 24.217 39.201 1.00 20.66 C ATOM 345 CE2 PHE A 41 43.409 24.472 37.080 1.00 18.86 C ATOM 346 CZ PHE A 41 42.272 24.206 37.820 1.00 19.64 C ATOM 0 H PHE A 41 46.693 22.728 38.489 1.00 13.02 H new ATOM 0 HA PHE A 41 47.516 24.069 40.774 1.00 12.96 H new ATOM 0 HB2 PHE A 41 45.768 25.557 40.636 1.00 14.94 H new ATOM 0 HB3 PHE A 41 46.514 25.622 39.268 1.00 14.94 H new ATOM 0 HD1 PHE A 41 43.544 24.496 40.771 1.00 18.23 H new ATOM 0 HD2 PHE A 41 45.361 24.928 37.216 1.00 18.02 H new ATOM 0 HE1 PHE A 41 41.564 24.038 39.698 1.00 20.66 H new ATOM 0 HE2 PHE A 41 43.370 24.464 36.151 1.00 18.86 H new ATOM 0 HZ PHE A 41 41.469 24.020 37.389 1.00 19.64 H new ATOM 356 N CYS A 42 45.398 21.760 40.413 1.00 12.80 N ATOM 357 CA CYS A 42 44.595 20.786 41.205 1.00 8.59 C ATOM 358 C CYS A 42 44.621 19.442 40.501 1.00 11.19 C ATOM 359 O CYS A 42 45.010 19.375 39.343 1.00 9.00 O ATOM 360 CB CYS A 42 43.142 21.280 41.318 1.00 9.57 C ATOM 361 SG CYS A 42 42.716 22.365 42.721 1.00 10.89 S ATOM 0 H CYS A 42 45.465 21.589 39.573 1.00 12.80 H new ATOM 0 HA CYS A 42 44.970 20.700 42.095 1.00 8.59 H new ATOM 0 HB2 CYS A 42 42.924 21.753 40.499 1.00 9.57 H new ATOM 0 HB3 CYS A 42 42.565 20.501 41.358 1.00 9.57 H new ATOM 366 N GLY A 43 44.181 18.442 41.195 1.00 10.77 N ATOM 367 CA GLY A 43 44.132 17.054 40.645 1.00 9.47 C ATOM 368 C GLY A 43 42.646 16.782 40.429 1.00 7.73 C ATOM 369 O GLY A 43 41.807 17.609 40.745 1.00 4.93 O ATOM 0 H GLY A 43 43.894 18.511 42.003 1.00 10.77 H new ATOM 0 HA2 GLY A 43 44.628 16.985 39.814 1.00 9.47 H new ATOM 0 HA3 GLY A 43 44.522 16.415 41.262 1.00 9.47 H new ATOM 373 N GLY A 44 42.332 15.639 39.881 1.00 8.79 N ATOM 374 CA GLY A 44 40.916 15.266 39.627 1.00 9.62 C ATOM 375 C GLY A 44 40.909 13.770 39.300 1.00 8.92 C ATOM 376 O GLY A 44 41.980 13.183 39.245 1.00 10.87 O ATOM 0 H GLY A 44 42.906 15.046 39.639 1.00 8.79 H new ATOM 0 HA2 GLY A 44 40.366 15.452 40.404 1.00 9.62 H new ATOM 0 HA3 GLY A 44 40.550 15.781 38.891 1.00 9.62 H new ATOM 380 N SER A 45 39.745 13.206 39.095 1.00 10.70 N ATOM 381 CA SER A 45 39.598 11.756 38.765 1.00 9.93 C ATOM 382 C SER A 45 38.723 11.590 37.537 1.00 10.78 C ATOM 383 O SER A 45 37.711 12.260 37.434 1.00 9.46 O ATOM 384 CB SER A 45 38.908 10.983 39.871 1.00 12.75 C ATOM 385 OG SER A 45 39.816 10.971 40.951 1.00 13.77 O ATOM 0 H SER A 45 38.999 13.631 39.137 1.00 10.70 H new ATOM 0 HA SER A 45 40.497 11.418 38.629 1.00 9.93 H new ATOM 0 HB2 SER A 45 38.072 11.406 40.123 1.00 12.75 H new ATOM 0 HB3 SER A 45 38.694 10.081 39.585 1.00 12.75 H new ATOM 0 HG SER A 45 39.614 11.579 41.494 1.00 13.77 H new ATOM 391 N LEU A 46 39.108 10.702 36.662 1.00 10.62 N ATOM 392 CA LEU A 46 38.288 10.475 35.431 1.00 11.34 C ATOM 393 C LEU A 46 37.213 9.448 35.837 1.00 12.55 C ATOM 394 O LEU A 46 37.558 8.388 36.343 1.00 12.08 O ATOM 395 CB LEU A 46 39.201 9.882 34.317 1.00 11.03 C ATOM 396 CG LEU A 46 38.468 9.654 32.986 1.00 11.64 C ATOM 397 CD1 LEU A 46 38.139 11.003 32.323 1.00 11.72 C ATOM 398 CD2 LEU A 46 39.424 8.837 32.053 1.00 13.89 C ATOM 0 H LEU A 46 39.815 10.217 36.729 1.00 10.62 H new ATOM 0 HA LEU A 46 37.890 11.292 35.093 1.00 11.34 H new ATOM 0 HB2 LEU A 46 39.949 10.481 34.168 1.00 11.03 H new ATOM 0 HB3 LEU A 46 39.569 9.039 34.624 1.00 11.03 H new ATOM 0 HG LEU A 46 37.638 9.176 33.138 1.00 11.64 H new ATOM 0 HD11 LEU A 46 37.677 10.847 31.484 1.00 11.72 H new ATOM 0 HD12 LEU A 46 37.572 11.524 32.913 1.00 11.72 H new ATOM 0 HD13 LEU A 46 38.961 11.489 32.153 1.00 11.72 H new ATOM 0 HD21 LEU A 46 38.987 8.677 31.202 1.00 13.89 H new ATOM 0 HD22 LEU A 46 40.241 9.339 31.907 1.00 13.89 H new ATOM 0 HD23 LEU A 46 39.637 7.988 32.471 1.00 13.89 H new ATOM 410 N ILE A 47 35.959 9.750 35.606 1.00 13.53 N ATOM 411 CA ILE A 47 34.874 8.779 35.988 1.00 14.30 C ATOM 412 C ILE A 47 34.321 8.081 34.752 1.00 14.47 C ATOM 413 O ILE A 47 33.660 7.080 34.882 1.00 13.52 O ATOM 414 CB ILE A 47 33.745 9.526 36.805 1.00 16.83 C ATOM 415 CG1 ILE A 47 33.250 10.864 36.219 1.00 16.88 C ATOM 416 CG2 ILE A 47 34.375 9.812 38.169 1.00 19.96 C ATOM 417 CD1 ILE A 47 32.011 11.368 36.997 1.00 18.32 C ATOM 0 H ILE A 47 35.687 10.480 35.242 1.00 13.53 H new ATOM 0 HA ILE A 47 35.246 8.090 36.561 1.00 14.30 H new ATOM 0 HB ILE A 47 32.959 8.958 36.810 1.00 16.83 H new ATOM 0 HG12 ILE A 47 33.958 11.525 36.264 1.00 16.88 H new ATOM 0 HG13 ILE A 47 33.027 10.751 35.282 1.00 16.88 H new ATOM 0 HG21 ILE A 47 33.734 10.274 38.731 1.00 19.96 H new ATOM 0 HG22 ILE A 47 34.630 8.976 38.590 1.00 19.96 H new ATOM 0 HG23 ILE A 47 35.162 10.368 38.052 1.00 19.96 H new ATOM 0 HD11 ILE A 47 31.711 12.209 36.618 1.00 18.32 H new ATOM 0 HD12 ILE A 47 31.299 10.712 36.932 1.00 18.32 H new ATOM 0 HD13 ILE A 47 32.245 11.499 37.929 1.00 18.32 H new ATOM 429 N ASN A 48 34.573 8.600 33.586 1.00 14.04 N ATOM 430 CA ASN A 48 34.122 7.979 32.307 1.00 15.19 C ATOM 431 C ASN A 48 34.803 8.844 31.251 1.00 14.10 C ATOM 432 O ASN A 48 35.248 9.921 31.599 1.00 13.28 O ATOM 433 CB ASN A 48 32.526 7.934 32.207 1.00 12.97 C ATOM 434 CG ASN A 48 31.729 9.182 31.985 1.00 15.09 C ATOM 435 OD1 ASN A 48 32.241 10.232 31.445 1.00 18.98 O flip ATOM 436 ND2 ASN A 48 30.564 9.197 32.311 1.00 11.23 N flip ATOM 0 H ASN A 48 35.014 9.331 33.480 1.00 14.04 H new ATOM 0 HA ASN A 48 34.365 7.045 32.207 1.00 15.19 H new ATOM 0 HB2 ASN A 48 32.304 7.324 31.486 1.00 12.97 H new ATOM 0 HB3 ASN A 48 32.202 7.533 33.028 1.00 12.97 H new ATOM 0 HD21 ASN A 48 30.210 8.502 32.673 1.00 11.23 H new ATOM 0 HD22 ASN A 48 30.090 9.903 32.181 1.00 11.23 H new ATOM 443 N SER A 49 34.829 8.369 29.976 1.00 14.85 N ATOM 444 CA SER A 49 35.485 9.118 28.871 1.00 15.74 C ATOM 445 C SER A 49 35.209 10.623 28.729 1.00 17.79 C ATOM 446 O SER A 49 36.063 11.316 28.231 1.00 15.84 O ATOM 447 CB ASER A 49 35.146 8.370 27.545 0.82 17.73 C ATOM 448 CB BSER A 49 35.079 8.455 27.527 0.26 18.97 C ATOM 449 OG ASER A 49 33.760 8.609 27.377 0.82 18.77 O ATOM 450 OG BSER A 49 34.783 7.106 27.865 0.26 20.36 O ATOM 0 H SER A 49 34.475 7.623 29.736 1.00 14.85 H new ATOM 0 HA SER A 49 36.429 9.122 29.096 1.00 15.74 H new ATOM 0 HB2ASER A 49 35.661 8.714 26.799 0.82 18.97 H new ATOM 0 HB2BSER A 49 34.310 8.897 27.134 0.26 18.97 H new ATOM 0 HB3ASER A 49 35.340 7.422 27.610 0.82 18.97 H new ATOM 0 HB3BSER A 49 35.798 8.506 26.878 0.26 18.97 H new ATOM 0 HG ASER A 49 33.323 7.999 27.755 0.82 20.36 H new ATOM 0 HG BSER A 49 34.552 6.688 27.174 0.26 20.36 H new ATOM 459 N GLN A 50 34.039 11.100 29.186 1.00 16.06 N ATOM 460 CA GLN A 50 33.705 12.545 29.052 1.00 14.95 C ATOM 461 C GLN A 50 33.621 13.379 30.354 1.00 14.06 C ATOM 462 O GLN A 50 33.437 14.581 30.271 1.00 14.18 O ATOM 463 CB GLN A 50 32.379 12.654 28.388 1.00 18.09 C ATOM 464 CG GLN A 50 32.326 12.068 26.969 1.00 22.76 C ATOM 465 CD GLN A 50 30.858 12.297 26.578 1.00 27.82 C ATOM 466 OE1 GLN A 50 29.964 11.580 26.985 1.00 32.28 O ATOM 467 NE2 GLN A 50 30.562 13.294 25.817 1.00 31.04 N ATOM 0 H GLN A 50 33.435 10.623 29.568 1.00 16.06 H new ATOM 0 HA GLN A 50 34.450 12.915 28.552 1.00 14.95 H new ATOM 0 HB2 GLN A 50 31.718 12.204 28.936 1.00 18.09 H new ATOM 0 HB3 GLN A 50 32.126 13.590 28.349 1.00 18.09 H new ATOM 0 HG2 GLN A 50 32.936 12.521 26.367 1.00 22.76 H new ATOM 0 HG3 GLN A 50 32.562 11.127 26.956 1.00 22.76 H new ATOM 0 HE21 GLN A 50 31.184 13.809 25.522 1.00 31.04 H new ATOM 0 HE22 GLN A 50 29.742 13.444 25.604 1.00 31.04 H new ATOM 476 N TRP A 51 33.750 12.769 31.492 1.00 12.55 N ATOM 477 CA TRP A 51 33.642 13.517 32.768 1.00 13.53 C ATOM 478 C TRP A 51 34.728 13.251 33.839 1.00 11.23 C ATOM 479 O TRP A 51 35.241 12.145 33.985 1.00 10.38 O ATOM 480 CB TRP A 51 32.241 13.204 33.399 1.00 13.05 C ATOM 481 CG TRP A 51 30.991 13.718 32.634 1.00 14.00 C ATOM 482 CD1 TRP A 51 30.291 13.040 31.669 1.00 11.43 C ATOM 483 CD2 TRP A 51 30.383 14.917 32.819 1.00 14.80 C ATOM 484 NE1 TRP A 51 29.333 13.861 31.349 1.00 11.50 N ATOM 485 CE2 TRP A 51 29.286 15.015 31.972 1.00 12.88 C ATOM 486 CE3 TRP A 51 30.667 15.996 33.674 1.00 17.53 C ATOM 487 CZ2 TRP A 51 28.478 16.153 31.968 1.00 14.24 C ATOM 488 CZ3 TRP A 51 29.861 17.148 33.676 1.00 18.75 C ATOM 489 CH2 TRP A 51 28.762 17.224 32.820 1.00 15.25 C ATOM 0 H TRP A 51 33.900 11.927 31.578 1.00 12.55 H new ATOM 0 HA TRP A 51 33.768 14.446 32.520 1.00 13.53 H new ATOM 0 HB2 TRP A 51 32.162 12.242 33.494 1.00 13.05 H new ATOM 0 HB3 TRP A 51 32.223 13.580 34.293 1.00 13.05 H new ATOM 0 HD1 TRP A 51 30.461 12.193 31.324 1.00 11.43 H new ATOM 0 HE1 TRP A 51 28.751 13.654 30.750 1.00 11.50 H new ATOM 0 HE3 TRP A 51 31.398 15.947 34.246 1.00 17.53 H new ATOM 0 HZ2 TRP A 51 27.747 16.199 31.395 1.00 14.24 H new ATOM 0 HZ3 TRP A 51 30.060 17.856 34.245 1.00 18.75 H new ATOM 0 HH2 TRP A 51 28.222 17.981 32.816 1.00 15.25 H new ATOM 500 N VAL A 52 34.994 14.310 34.570 1.00 12.17 N ATOM 501 CA VAL A 52 35.992 14.330 35.677 1.00 11.77 C ATOM 502 C VAL A 52 35.351 14.886 36.981 1.00 10.13 C ATOM 503 O VAL A 52 34.525 15.777 36.915 1.00 9.97 O ATOM 504 CB VAL A 52 37.214 15.236 35.236 1.00 13.85 C ATOM 505 CG1 VAL A 52 38.207 15.456 36.429 1.00 14.06 C ATOM 506 CG2 VAL A 52 37.995 14.561 34.054 1.00 13.46 C ATOM 0 H VAL A 52 34.602 15.067 34.452 1.00 12.17 H new ATOM 0 HA VAL A 52 36.298 13.427 35.857 1.00 11.77 H new ATOM 0 HB VAL A 52 36.857 16.092 34.952 1.00 13.85 H new ATOM 0 HG11 VAL A 52 38.946 16.012 36.137 1.00 14.06 H new ATOM 0 HG12 VAL A 52 37.743 15.893 37.160 1.00 14.06 H new ATOM 0 HG13 VAL A 52 38.547 14.599 36.729 1.00 14.06 H new ATOM 0 HG21 VAL A 52 38.740 15.125 33.794 1.00 13.46 H new ATOM 0 HG22 VAL A 52 38.329 13.696 34.339 1.00 13.46 H new ATOM 0 HG23 VAL A 52 37.399 14.444 33.298 1.00 13.46 H new ATOM 516 N VAL A 53 35.727 14.370 38.122 1.00 7.10 N ATOM 517 CA VAL A 53 35.165 14.876 39.410 1.00 11.09 C ATOM 518 C VAL A 53 36.410 15.452 40.080 1.00 11.47 C ATOM 519 O VAL A 53 37.482 14.871 40.009 1.00 11.75 O ATOM 520 CB VAL A 53 34.554 13.711 40.328 1.00 13.54 C ATOM 521 CG1 VAL A 53 35.586 12.649 40.732 1.00 16.18 C ATOM 522 CG2 VAL A 53 34.006 14.310 41.646 1.00 13.69 C ATOM 0 H VAL A 53 36.298 13.732 38.203 1.00 7.10 H new ATOM 0 HA VAL A 53 34.432 15.497 39.276 1.00 11.09 H new ATOM 0 HB VAL A 53 33.862 13.294 39.791 1.00 13.54 H new ATOM 0 HG11 VAL A 53 35.158 11.975 41.283 1.00 16.18 H new ATOM 0 HG12 VAL A 53 35.950 12.231 39.936 1.00 16.18 H new ATOM 0 HG13 VAL A 53 36.303 13.068 41.233 1.00 16.18 H new ATOM 0 HG21 VAL A 53 33.638 13.601 42.196 1.00 13.69 H new ATOM 0 HG22 VAL A 53 34.725 14.750 42.125 1.00 13.69 H new ATOM 0 HG23 VAL A 53 33.310 14.955 41.444 1.00 13.69 H new ATOM 532 N SER A 54 36.257 16.574 40.704 1.00 13.68 N ATOM 533 CA SER A 54 37.397 17.228 41.404 1.00 12.42 C ATOM 534 C SER A 54 36.687 17.927 42.586 1.00 11.94 C ATOM 535 O SER A 54 35.532 17.665 42.892 1.00 10.50 O ATOM 536 CB SER A 54 38.114 18.254 40.465 1.00 10.47 C ATOM 537 OG SER A 54 39.175 18.852 41.231 1.00 8.93 O ATOM 0 H SER A 54 35.513 17.002 40.754 1.00 13.68 H new ATOM 0 HA SER A 54 38.097 16.617 41.683 1.00 12.42 H new ATOM 0 HB2 SER A 54 38.467 17.811 39.677 1.00 10.47 H new ATOM 0 HB3 SER A 54 37.491 18.930 40.155 1.00 10.47 H new ATOM 0 HG SER A 54 39.904 18.481 41.038 1.00 8.93 H new ATOM 543 N ALA A 55 37.393 18.821 43.205 1.00 14.31 N ATOM 544 CA ALA A 55 36.844 19.571 44.369 1.00 13.71 C ATOM 545 C ALA A 55 36.320 20.944 43.868 1.00 13.36 C ATOM 546 O ALA A 55 36.835 21.532 42.937 1.00 8.99 O ATOM 547 CB ALA A 55 37.958 19.784 45.394 1.00 12.38 C ATOM 0 H ALA A 55 38.199 19.033 42.991 1.00 14.31 H new ATOM 0 HA ALA A 55 36.120 19.075 44.782 1.00 13.71 H new ATOM 0 HB1 ALA A 55 37.608 20.272 46.156 1.00 12.38 H new ATOM 0 HB2 ALA A 55 38.295 18.924 45.689 1.00 12.38 H new ATOM 0 HB3 ALA A 55 38.678 20.291 44.989 1.00 12.38 H new ATOM 553 N ALA A 56 35.293 21.425 44.530 1.00 9.26 N ATOM 554 CA ALA A 56 34.725 22.734 44.133 1.00 8.80 C ATOM 555 C ALA A 56 35.667 23.849 44.492 1.00 8.22 C ATOM 556 O ALA A 56 35.648 24.885 43.858 1.00 8.59 O ATOM 557 CB ALA A 56 33.425 23.005 44.835 1.00 2.00 C ATOM 0 H ALA A 56 34.906 21.039 45.194 1.00 9.26 H new ATOM 0 HA ALA A 56 34.583 22.696 43.174 1.00 8.80 H new ATOM 0 HB1 ALA A 56 33.079 23.867 44.555 1.00 2.00 H new ATOM 0 HB2 ALA A 56 32.785 22.312 44.610 1.00 2.00 H new ATOM 0 HB3 ALA A 56 33.570 23.012 45.794 1.00 2.00 H new ATOM 563 N HIS A 57 36.487 23.644 45.480 1.00 8.04 N ATOM 564 CA HIS A 57 37.410 24.746 45.838 1.00 8.68 C ATOM 565 C HIS A 57 38.511 24.828 44.781 1.00 10.11 C ATOM 566 O HIS A 57 39.378 25.667 44.859 1.00 11.41 O ATOM 567 CB HIS A 57 37.992 24.539 47.276 1.00 5.57 C ATOM 568 CG HIS A 57 39.061 23.472 47.481 1.00 10.31 C ATOM 569 ND1 HIS A 57 38.900 22.216 47.717 1.00 10.79 N ATOM 570 CD2 HIS A 57 40.407 23.641 47.463 1.00 9.82 C ATOM 571 CE1 HIS A 57 40.022 21.627 47.840 1.00 12.11 C ATOM 572 NE2 HIS A 57 40.982 22.484 47.689 1.00 11.93 N ATOM 0 H HIS A 57 36.547 22.926 45.950 1.00 8.04 H new ATOM 0 HA HIS A 57 36.929 25.588 45.853 1.00 8.68 H new ATOM 0 HB2 HIS A 57 38.361 25.387 47.570 1.00 5.57 H new ATOM 0 HB3 HIS A 57 37.251 24.332 47.867 1.00 5.57 H new ATOM 0 HD1 HIS A 57 38.136 21.827 47.783 1.00 10.79 H new ATOM 0 HD2 HIS A 57 40.849 24.445 47.315 1.00 9.82 H new ATOM 0 HE1 HIS A 57 40.135 20.720 48.012 1.00 12.11 H new ATOM 580 N CYS A 58 38.449 23.963 43.812 1.00 11.89 N ATOM 581 CA CYS A 58 39.463 23.977 42.698 1.00 11.86 C ATOM 582 C CYS A 58 38.803 24.706 41.504 1.00 11.79 C ATOM 583 O CYS A 58 39.328 24.734 40.410 1.00 10.63 O ATOM 584 CB CYS A 58 39.827 22.538 42.260 1.00 12.90 C ATOM 585 SG CYS A 58 40.950 21.728 43.417 1.00 6.74 S ATOM 0 H CYS A 58 37.849 23.350 43.746 1.00 11.89 H new ATOM 0 HA CYS A 58 40.275 24.417 42.994 1.00 11.86 H new ATOM 0 HB2 CYS A 58 39.016 22.012 42.180 1.00 12.90 H new ATOM 0 HB3 CYS A 58 40.236 22.564 41.381 1.00 12.90 H new ATOM 590 N TYR A 59 37.658 25.293 41.728 1.00 15.10 N ATOM 591 CA TYR A 59 36.978 26.003 40.608 1.00 16.65 C ATOM 592 C TYR A 59 37.775 27.203 40.107 1.00 15.72 C ATOM 593 O TYR A 59 38.293 27.985 40.888 1.00 17.13 O ATOM 594 CB TYR A 59 35.535 26.480 41.071 1.00 18.30 C ATOM 595 CG TYR A 59 34.935 27.388 39.976 1.00 17.10 C ATOM 596 CD1 TYR A 59 34.981 28.759 40.122 1.00 18.48 C ATOM 597 CD2 TYR A 59 34.392 26.858 38.804 1.00 18.26 C ATOM 598 CE1 TYR A 59 34.508 29.570 39.129 1.00 15.81 C ATOM 599 CE2 TYR A 59 33.925 27.685 37.818 1.00 17.28 C ATOM 600 CZ TYR A 59 33.986 29.040 37.983 1.00 16.92 C ATOM 601 OH TYR A 59 33.524 29.866 36.987 1.00 20.56 O ATOM 0 H TYR A 59 37.247 25.309 42.483 1.00 15.10 H new ATOM 0 HA TYR A 59 36.905 25.375 39.873 1.00 16.65 H new ATOM 0 HB2 TYR A 59 34.961 25.713 41.223 1.00 18.30 H new ATOM 0 HB3 TYR A 59 35.594 26.961 41.911 1.00 18.30 H new ATOM 0 HD1 TYR A 59 35.334 29.132 40.897 1.00 18.48 H new ATOM 0 HD2 TYR A 59 34.347 25.936 38.692 1.00 18.26 H new ATOM 0 HE1 TYR A 59 34.542 30.493 39.235 1.00 15.81 H new ATOM 0 HE2 TYR A 59 33.567 27.326 37.038 1.00 17.28 H new ATOM 0 HH TYR A 59 34.175 30.181 36.559 1.00 20.56 H new ATOM 611 N LYS A 60 37.797 27.259 38.802 1.00 15.23 N ATOM 612 CA LYS A 60 38.462 28.284 37.954 1.00 19.03 C ATOM 613 C LYS A 60 37.742 28.250 36.609 1.00 20.83 C ATOM 614 O LYS A 60 37.025 27.319 36.277 1.00 20.59 O ATOM 615 CB LYS A 60 39.957 27.953 37.602 1.00 20.79 C ATOM 616 CG LYS A 60 40.958 28.632 38.486 1.00 24.11 C ATOM 617 CD LYS A 60 42.353 28.303 37.876 1.00 26.31 C ATOM 618 CE LYS A 60 43.491 28.831 38.796 1.00 23.92 C ATOM 619 NZ LYS A 60 44.727 28.031 38.591 0.02 23.62 N ATOM 0 H LYS A 60 37.399 26.663 38.327 1.00 15.23 H new ATOM 0 HA LYS A 60 38.432 29.123 38.441 1.00 19.03 H new ATOM 0 HB2 LYS A 60 40.088 26.994 37.659 1.00 20.79 H new ATOM 0 HB3 LYS A 60 40.127 28.208 36.682 1.00 20.79 H new ATOM 0 HG2 LYS A 60 40.806 29.590 38.512 1.00 24.11 H new ATOM 0 HG3 LYS A 60 40.892 28.309 39.398 1.00 24.11 H new ATOM 0 HD2 LYS A 60 42.443 27.344 37.760 1.00 26.31 H new ATOM 0 HD3 LYS A 60 42.429 28.704 36.996 1.00 26.31 H new ATOM 0 HE2 LYS A 60 43.666 29.765 38.602 1.00 23.92 H new ATOM 0 HE3 LYS A 60 43.215 28.781 39.725 1.00 23.92 H new ATOM 0 HZ1 LYS A 60 45.395 28.393 39.055 0.02 23.62 H new ATOM 0 HZ2 LYS A 60 44.591 27.197 38.869 0.02 23.62 H new ATOM 0 HZ3 LYS A 60 44.936 28.024 37.726 0.02 23.62 H new ATOM 633 N SER A 61 37.984 29.280 35.871 1.00 22.71 N ATOM 634 CA SER A 61 37.388 29.410 34.516 1.00 23.77 C ATOM 635 C SER A 61 38.630 29.086 33.573 1.00 23.69 C ATOM 636 O SER A 61 39.753 29.373 33.964 1.00 24.78 O ATOM 637 CB ASER A 61 36.901 30.856 34.321 0.21 22.38 C ATOM 638 CB BSER A 61 36.828 30.870 34.351 0.30 21.95 C ATOM 639 CB CSER A 61 36.896 30.859 34.336 0.32 23.57 C ATOM 640 OG ASER A 61 36.235 30.855 33.065 0.21 21.84 O ATOM 641 OG BSER A 61 37.706 31.748 35.052 0.30 22.28 O ATOM 642 OG CSER A 61 35.968 31.020 35.411 0.32 23.24 O ATOM 0 H SER A 61 38.488 29.936 36.106 1.00 22.71 H new ATOM 0 HA SER A 61 36.636 28.829 34.320 1.00 23.77 H new ATOM 0 HB2ASER A 61 36.302 31.124 35.036 0.21 23.57 H new ATOM 0 HB2BSER A 61 36.780 31.113 33.413 0.30 23.57 H new ATOM 0 HB2CSER A 61 37.626 31.496 34.393 0.32 23.57 H new ATOM 0 HB3ASER A 61 37.644 31.480 34.324 0.21 23.57 H new ATOM 0 HB3BSER A 61 35.928 30.932 34.707 0.30 23.57 H new ATOM 0 HB3CSER A 61 36.472 30.990 33.473 0.32 23.57 H new ATOM 0 HG ASER A 61 35.942 31.625 32.902 0.21 23.24 H new ATOM 0 HG BSER A 61 37.430 32.538 34.979 0.30 23.24 H new ATOM 0 HG CSER A 61 35.646 31.796 35.390 0.32 23.24 H new ATOM 654 N GLY A 62 38.457 28.515 32.405 1.00 24.64 N ATOM 655 CA GLY A 62 39.649 28.243 31.523 1.00 23.53 C ATOM 656 C GLY A 62 40.526 27.066 31.951 1.00 23.79 C ATOM 657 O GLY A 62 41.731 27.230 32.002 1.00 26.02 O ATOM 0 H GLY A 62 37.698 28.272 32.083 1.00 24.64 H new ATOM 0 HA2 GLY A 62 39.334 28.080 30.620 1.00 23.53 H new ATOM 0 HA3 GLY A 62 40.198 29.042 31.492 1.00 23.53 H new ATOM 661 N ILE A 63 39.927 25.938 32.215 1.00 21.13 N ATOM 662 CA ILE A 63 40.699 24.738 32.648 1.00 19.32 C ATOM 663 C ILE A 63 40.959 23.723 31.471 1.00 18.33 C ATOM 664 O ILE A 63 40.107 23.497 30.624 1.00 11.97 O ATOM 665 CB ILE A 63 39.864 24.027 33.815 1.00 21.01 C ATOM 666 CG1 ILE A 63 39.756 24.885 35.128 1.00 20.77 C ATOM 667 CG2 ILE A 63 40.388 22.592 34.169 1.00 23.07 C ATOM 668 CD1 ILE A 63 38.703 24.238 36.108 1.00 21.42 C ATOM 0 H ILE A 63 39.077 25.817 32.159 1.00 21.13 H new ATOM 0 HA ILE A 63 41.574 25.022 32.957 1.00 19.32 H new ATOM 0 HB ILE A 63 38.974 23.943 33.439 1.00 21.01 H new ATOM 0 HG12 ILE A 63 40.622 24.938 35.561 1.00 20.77 H new ATOM 0 HG13 ILE A 63 39.492 25.792 34.910 1.00 20.77 H new ATOM 0 HG21 ILE A 63 39.845 22.215 34.879 1.00 23.07 H new ATOM 0 HG22 ILE A 63 40.333 22.025 33.384 1.00 23.07 H new ATOM 0 HG23 ILE A 63 41.311 22.648 34.463 1.00 23.07 H new ATOM 0 HD11 ILE A 63 38.641 24.772 36.915 1.00 21.42 H new ATOM 0 HD12 ILE A 63 37.835 24.205 35.675 1.00 21.42 H new ATOM 0 HD13 ILE A 63 38.984 23.338 36.337 1.00 21.42 H new ATOM 680 N GLN A 64 42.137 23.142 31.478 1.00 15.43 N ATOM 681 CA GLN A 64 42.498 22.146 30.450 1.00 15.27 C ATOM 682 C GLN A 64 42.769 20.947 31.393 1.00 14.10 C ATOM 683 O GLN A 64 43.444 21.061 32.417 1.00 13.39 O ATOM 684 CB GLN A 64 43.767 22.551 29.672 1.00 15.32 C ATOM 685 CG GLN A 64 43.991 21.487 28.558 1.00 17.02 C ATOM 686 CD GLN A 64 45.366 21.702 27.894 1.00 19.88 C ATOM 687 OE1 GLN A 64 46.401 21.772 28.524 1.00 18.71 O ATOM 688 NE2 GLN A 64 45.430 21.802 26.608 1.00 19.46 N ATOM 0 H GLN A 64 42.751 23.298 32.060 1.00 15.43 H new ATOM 0 HA GLN A 64 41.841 22.003 29.751 1.00 15.27 H new ATOM 0 HB2 GLN A 64 43.663 23.434 29.285 1.00 15.32 H new ATOM 0 HB3 GLN A 64 44.533 22.590 30.265 1.00 15.32 H new ATOM 0 HG2 GLN A 64 43.942 20.595 28.937 1.00 17.02 H new ATOM 0 HG3 GLN A 64 43.288 21.551 27.893 1.00 17.02 H new ATOM 0 HE21 GLN A 64 44.712 21.756 26.137 1.00 19.46 H new ATOM 0 HE22 GLN A 64 46.191 21.915 26.223 1.00 19.46 H new ATOM 697 N VAL A 65 42.235 19.828 31.011 1.00 10.83 N ATOM 698 CA VAL A 65 42.369 18.580 31.782 1.00 11.06 C ATOM 699 C VAL A 65 43.516 17.808 31.150 1.00 10.63 C ATOM 700 O VAL A 65 43.511 17.639 29.950 1.00 12.51 O ATOM 701 CB VAL A 65 40.984 17.848 31.665 1.00 11.63 C ATOM 702 CG1 VAL A 65 41.044 16.448 32.267 1.00 14.15 C ATOM 703 CG2 VAL A 65 39.848 18.661 32.412 1.00 12.81 C ATOM 0 H VAL A 65 41.773 19.745 30.290 1.00 10.83 H new ATOM 0 HA VAL A 65 42.572 18.698 32.723 1.00 11.06 H new ATOM 0 HB VAL A 65 40.779 17.786 30.719 1.00 11.63 H new ATOM 0 HG11 VAL A 65 40.177 16.021 32.181 1.00 14.15 H new ATOM 0 HG12 VAL A 65 41.711 15.922 31.798 1.00 14.15 H new ATOM 0 HG13 VAL A 65 41.282 16.509 33.205 1.00 14.15 H new ATOM 0 HG21 VAL A 65 39.004 18.191 32.326 1.00 12.81 H new ATOM 0 HG22 VAL A 65 40.076 18.747 33.351 1.00 12.81 H new ATOM 0 HG23 VAL A 65 39.768 19.543 32.017 1.00 12.81 H new ATOM 713 N ARG A 66 44.443 17.358 31.929 1.00 9.51 N ATOM 714 CA ARG A 66 45.575 16.594 31.349 1.00 12.96 C ATOM 715 C ARG A 66 45.533 15.186 31.930 1.00 13.18 C ATOM 716 O ARG A 66 45.629 15.018 33.141 1.00 14.82 O ATOM 717 CB ARG A 66 46.899 17.295 31.698 1.00 12.44 C ATOM 718 CG ARG A 66 46.931 18.671 30.953 1.00 8.97 C ATOM 719 CD ARG A 66 48.263 19.388 31.180 1.00 12.47 C ATOM 720 NE ARG A 66 48.274 20.585 30.303 1.00 15.19 N ATOM 721 CZ ARG A 66 49.327 20.920 29.625 1.00 17.27 C ATOM 722 NH1 ARG A 66 50.484 20.486 30.024 1.00 16.08 N ATOM 723 NH2 ARG A 66 49.187 21.679 28.568 1.00 16.69 N ATOM 0 H ARG A 66 44.466 17.463 32.782 1.00 9.51 H new ATOM 0 HA ARG A 66 45.507 16.549 30.382 1.00 12.96 H new ATOM 0 HB2 ARG A 66 46.970 17.427 32.656 1.00 12.44 H new ATOM 0 HB3 ARG A 66 47.653 16.747 31.430 1.00 12.44 H new ATOM 0 HG2 ARG A 66 46.793 18.531 30.003 1.00 8.97 H new ATOM 0 HG3 ARG A 66 46.202 19.229 31.266 1.00 8.97 H new ATOM 0 HD2 ARG A 66 48.359 19.645 32.110 1.00 12.47 H new ATOM 0 HD3 ARG A 66 49.007 18.802 30.969 1.00 12.47 H new ATOM 0 HE ARG A 66 47.565 21.068 30.243 1.00 15.19 H new ATOM 0 HH11 ARG A 66 50.539 19.988 30.723 1.00 16.08 H new ATOM 0 HH12 ARG A 66 51.195 20.696 29.589 1.00 16.08 H new ATOM 0 HH21 ARG A 66 48.405 21.948 28.332 1.00 16.69 H new ATOM 0 HH22 ARG A 66 49.877 21.909 28.109 1.00 16.69 H new ATOM 737 N LEU A 67 45.393 14.207 31.045 1.00 14.15 N ATOM 738 CA LEU A 67 45.291 12.744 31.360 1.00 14.68 C ATOM 739 C LEU A 67 46.633 12.061 30.927 1.00 14.95 C ATOM 740 O LEU A 67 47.376 12.567 30.107 1.00 16.13 O ATOM 741 CB ALEU A 67 44.149 12.064 30.513 0.55 15.62 C ATOM 742 CB BLEU A 67 44.129 12.028 30.564 0.34 16.91 C ATOM 743 CG ALEU A 67 42.838 12.890 30.470 0.55 15.80 C ATOM 744 CG BLEU A 67 42.749 12.701 30.833 0.34 16.95 C ATOM 745 CD1ALEU A 67 41.808 12.243 29.474 0.55 17.23 C ATOM 746 CD1BLEU A 67 42.424 13.714 29.710 0.34 19.08 C ATOM 747 CD2ALEU A 67 42.206 12.941 31.864 0.55 16.89 C ATOM 748 CD2BLEU A 67 41.604 11.644 30.919 0.34 16.17 C ATOM 0 H LEU A 67 45.351 14.363 30.200 1.00 14.15 H new ATOM 0 HA LEU A 67 45.106 12.644 32.307 1.00 14.68 H new ATOM 0 HB2ALEU A 67 44.466 11.926 29.607 0.55 16.91 H new ATOM 0 HB2BLEU A 67 44.323 12.054 29.614 0.34 16.91 H new ATOM 0 HB3ALEU A 67 43.959 11.188 30.883 0.55 16.91 H new ATOM 0 HB3BLEU A 67 44.089 11.093 30.820 0.34 16.91 H new ATOM 0 HG ALEU A 67 43.057 13.786 30.170 0.55 16.95 H new ATOM 0 HG BLEU A 67 42.808 13.160 31.685 0.34 16.95 H new ATOM 0 HD11ALEU A 67 40.995 12.772 29.460 0.55 19.08 H new ATOM 0 HD11BLEU A 67 41.564 14.127 29.886 0.34 19.08 H new ATOM 0 HD12ALEU A 67 42.192 12.217 28.583 0.55 19.08 H new ATOM 0 HD12BLEU A 67 43.111 14.398 29.682 0.34 19.08 H new ATOM 0 HD13ALEU A 67 41.601 11.341 29.763 0.55 19.08 H new ATOM 0 HD13BLEU A 67 42.392 13.253 28.857 0.34 19.08 H new ATOM 0 HD21ALEU A 67 41.387 13.459 31.829 0.55 16.17 H new ATOM 0 HD21BLEU A 67 40.761 12.093 31.087 0.34 16.17 H new ATOM 0 HD22ALEU A 67 42.006 12.040 32.162 0.55 16.17 H new ATOM 0 HD22BLEU A 67 41.550 11.157 30.082 0.34 16.17 H new ATOM 0 HD23ALEU A 67 42.825 13.356 32.485 0.55 16.17 H new ATOM 0 HD23BLEU A 67 41.789 11.024 31.642 0.34 16.17 H new ATOM 769 N GLY A 69 46.908 10.982 31.492 1.00 11.09 N ATOM 770 CA GLY A 69 48.119 10.186 31.183 1.00 11.80 C ATOM 771 C GLY A 69 49.387 10.807 31.595 1.00 16.51 C ATOM 772 O GLY A 69 50.441 10.580 31.015 1.00 19.00 O ATOM 0 H GLY A 69 46.411 10.630 32.099 1.00 11.09 H new ATOM 0 HA2 GLY A 69 48.041 9.321 31.616 1.00 11.80 H new ATOM 0 HA3 GLY A 69 48.149 10.023 30.227 1.00 11.80 H new ATOM 776 N GLU A 70 49.252 11.575 32.626 1.00 15.99 N ATOM 777 CA GLU A 70 50.436 12.279 33.149 1.00 17.17 C ATOM 778 C GLU A 70 51.149 11.517 34.250 1.00 15.80 C ATOM 779 O GLU A 70 50.582 10.714 34.962 1.00 14.81 O ATOM 780 CB GLU A 70 50.038 13.685 33.775 1.00 16.74 C ATOM 781 CG GLU A 70 49.605 14.749 32.706 1.00 18.54 C ATOM 782 CD GLU A 70 50.864 15.385 32.078 1.00 17.76 C ATOM 783 OE1 GLU A 70 51.877 14.726 32.136 1.00 15.03 O ATOM 784 OE2 GLU A 70 50.773 16.480 31.568 1.00 14.06 O ATOM 0 H GLU A 70 48.516 11.718 33.047 1.00 15.99 H new ATOM 0 HA GLU A 70 51.022 12.375 32.382 1.00 17.17 H new ATOM 0 HB2 GLU A 70 49.311 13.556 34.405 1.00 16.74 H new ATOM 0 HB3 GLU A 70 50.791 14.031 34.278 1.00 16.74 H new ATOM 0 HG2 GLU A 70 49.065 14.330 32.018 1.00 18.54 H new ATOM 0 HG3 GLU A 70 49.056 15.434 33.120 1.00 18.54 H new ATOM 791 N ASP A 71 52.407 11.845 34.286 1.00 13.51 N ATOM 792 CA ASP A 71 53.311 11.286 35.299 1.00 14.99 C ATOM 793 C ASP A 71 54.134 12.547 35.562 1.00 13.76 C ATOM 794 O ASP A 71 53.866 13.225 36.526 1.00 10.23 O ATOM 795 CB ASP A 71 54.260 10.134 34.839 1.00 11.90 C ATOM 796 CG ASP A 71 55.014 9.677 36.141 1.00 18.27 C ATOM 797 OD1 ASP A 71 54.482 9.778 37.233 1.00 18.85 O ATOM 798 OD2 ASP A 71 56.128 9.221 36.025 1.00 21.04 O ATOM 0 H ASP A 71 52.779 12.393 33.737 1.00 13.51 H new ATOM 0 HA ASP A 71 52.833 10.865 36.031 1.00 14.99 H new ATOM 0 HB2 ASP A 71 53.758 9.401 34.449 1.00 11.90 H new ATOM 0 HB3 ASP A 71 54.883 10.442 34.163 1.00 11.90 H new ATOM 803 N ASN A 72 55.093 12.861 34.704 1.00 12.56 N ATOM 804 CA ASN A 72 55.918 14.098 34.932 1.00 12.83 C ATOM 805 C ASN A 72 55.103 15.214 34.311 1.00 10.14 C ATOM 806 O ASN A 72 54.903 15.185 33.101 1.00 3.81 O ATOM 807 CB ASN A 72 57.277 13.962 34.214 1.00 13.74 C ATOM 808 CG ASN A 72 58.117 15.178 34.586 1.00 15.93 C ATOM 809 OD1 ASN A 72 57.631 16.291 34.573 1.00 17.27 O ATOM 810 ND2 ASN A 72 59.360 15.051 34.913 1.00 17.69 N ATOM 0 H ASN A 72 55.296 12.407 34.002 1.00 12.56 H new ATOM 0 HA ASN A 72 56.106 14.257 35.870 1.00 12.83 H new ATOM 0 HB2 ASN A 72 57.724 13.144 34.482 1.00 13.74 H new ATOM 0 HB3 ASN A 72 57.152 13.915 33.253 1.00 13.74 H new ATOM 0 HD21 ASN A 72 59.825 15.746 35.115 1.00 17.69 H new ATOM 0 HD22 ASN A 72 59.723 14.272 34.928 1.00 17.69 H new ATOM 817 N ILE A 73 54.638 16.163 35.024 1.00 9.61 N ATOM 818 CA ILE A 73 53.823 17.242 34.379 1.00 12.48 C ATOM 819 C ILE A 73 54.606 18.338 33.712 1.00 11.77 C ATOM 820 O ILE A 73 54.018 19.231 33.130 1.00 11.75 O ATOM 821 CB ILE A 73 52.891 17.841 35.446 1.00 15.37 C ATOM 822 CG1 ILE A 73 53.702 18.162 36.744 1.00 20.02 C ATOM 823 CG2 ILE A 73 51.701 16.869 35.677 1.00 15.22 C ATOM 824 CD1 ILE A 73 52.771 18.841 37.745 1.00 21.69 C ATOM 0 H ILE A 73 54.753 16.245 35.872 1.00 9.61 H new ATOM 0 HA ILE A 73 53.335 16.818 33.656 1.00 12.48 H new ATOM 0 HB ILE A 73 52.517 18.685 35.149 1.00 15.37 H new ATOM 0 HG12 ILE A 73 54.067 17.347 37.123 1.00 20.02 H new ATOM 0 HG13 ILE A 73 54.453 18.740 36.537 1.00 20.02 H new ATOM 0 HG21 ILE A 73 51.107 17.238 36.349 1.00 15.22 H new ATOM 0 HG22 ILE A 73 51.214 16.750 34.846 1.00 15.22 H new ATOM 0 HG23 ILE A 73 52.038 16.011 35.980 1.00 15.22 H new ATOM 0 HD11 ILE A 73 53.262 19.046 38.556 1.00 21.69 H new ATOM 0 HD12 ILE A 73 52.425 19.662 37.361 1.00 21.69 H new ATOM 0 HD13 ILE A 73 52.033 18.247 37.955 1.00 21.69 H new ATOM 836 N ASN A 74 55.890 18.226 33.787 1.00 14.73 N ATOM 837 CA ASN A 74 56.781 19.238 33.148 1.00 13.55 C ATOM 838 C ASN A 74 57.405 18.678 31.867 1.00 13.59 C ATOM 839 O ASN A 74 58.067 19.398 31.154 1.00 16.48 O ATOM 840 CB ASN A 74 57.884 19.655 34.113 1.00 12.01 C ATOM 841 CG ASN A 74 57.440 20.901 34.889 1.00 13.66 C ATOM 842 OD1 ASN A 74 56.689 21.740 34.427 1.00 13.74 O ATOM 843 ND2 ASN A 74 57.860 21.118 36.087 1.00 14.70 N ATOM 0 H ASN A 74 56.300 17.588 34.193 1.00 14.73 H new ATOM 0 HA ASN A 74 56.243 20.013 32.922 1.00 13.55 H new ATOM 0 HB2 ASN A 74 58.079 18.931 34.729 1.00 12.01 H new ATOM 0 HB3 ASN A 74 58.701 19.840 33.625 1.00 12.01 H new ATOM 0 HD21 ASN A 74 57.607 21.823 36.510 1.00 14.70 H new ATOM 0 HD22 ASN A 74 58.393 20.558 36.464 1.00 14.70 H new ATOM 850 N VAL A 75 57.195 17.406 31.607 1.00 12.63 N ATOM 851 CA VAL A 75 57.765 16.761 30.376 1.00 14.55 C ATOM 852 C VAL A 75 56.738 16.029 29.513 1.00 16.53 C ATOM 853 O VAL A 75 55.953 15.273 30.058 1.00 19.71 O ATOM 854 CB VAL A 75 58.885 15.696 30.781 1.00 14.54 C ATOM 855 CG1 VAL A 75 59.500 15.080 29.478 1.00 11.66 C ATOM 856 CG2 VAL A 75 60.025 16.340 31.658 1.00 14.07 C ATOM 0 H VAL A 75 56.734 16.880 32.107 1.00 12.63 H new ATOM 0 HA VAL A 75 58.125 17.496 29.855 1.00 14.55 H new ATOM 0 HB VAL A 75 58.465 15.005 31.316 1.00 14.54 H new ATOM 0 HG11 VAL A 75 60.181 14.432 29.717 1.00 11.66 H new ATOM 0 HG12 VAL A 75 58.802 14.641 28.967 1.00 11.66 H new ATOM 0 HG13 VAL A 75 59.898 15.785 28.943 1.00 11.66 H new ATOM 0 HG21 VAL A 75 60.683 15.663 31.882 1.00 14.07 H new ATOM 0 HG22 VAL A 75 60.453 17.054 31.159 1.00 14.07 H new ATOM 0 HG23 VAL A 75 59.642 16.700 32.473 1.00 14.07 H new ATOM 866 N VAL A 76 56.684 16.178 28.229 1.00 16.49 N ATOM 867 CA VAL A 76 55.674 15.430 27.406 1.00 18.05 C ATOM 868 C VAL A 76 56.386 14.048 27.219 1.00 20.35 C ATOM 869 O VAL A 76 57.313 13.916 26.441 1.00 17.38 O ATOM 870 CB VAL A 76 55.458 16.117 26.009 1.00 19.92 C ATOM 871 CG1 VAL A 76 54.523 15.243 25.104 1.00 16.95 C ATOM 872 CG2 VAL A 76 54.815 17.508 26.237 1.00 19.71 C ATOM 0 H VAL A 76 57.203 16.695 27.779 1.00 16.49 H new ATOM 0 HA VAL A 76 54.796 15.383 27.815 1.00 18.05 H new ATOM 0 HB VAL A 76 56.313 16.212 25.560 1.00 19.92 H new ATOM 0 HG11 VAL A 76 54.400 15.681 24.247 1.00 16.95 H new ATOM 0 HG12 VAL A 76 54.927 14.372 24.967 1.00 16.95 H new ATOM 0 HG13 VAL A 76 53.662 15.135 25.537 1.00 16.95 H new ATOM 0 HG21 VAL A 76 54.676 17.944 25.382 1.00 19.71 H new ATOM 0 HG22 VAL A 76 53.963 17.401 26.688 1.00 19.71 H new ATOM 0 HG23 VAL A 76 55.404 18.051 26.784 1.00 19.71 H new ATOM 882 N GLU A 77 55.920 13.064 27.928 1.00 18.84 N ATOM 883 CA GLU A 77 56.522 11.715 27.854 1.00 23.65 C ATOM 884 C GLU A 77 55.859 10.803 26.865 1.00 25.42 C ATOM 885 O GLU A 77 56.306 9.679 26.780 1.00 25.35 O ATOM 886 CB GLU A 77 56.477 11.063 29.272 1.00 21.86 C ATOM 887 CG GLU A 77 57.471 11.832 30.159 1.00 24.43 C ATOM 888 CD GLU A 77 57.460 11.340 31.625 1.00 24.96 C ATOM 889 OE1 GLU A 77 56.479 11.512 32.328 1.00 22.95 O ATOM 890 OE2 GLU A 77 58.491 10.798 31.970 1.00 28.45 O ATOM 0 H GLU A 77 55.254 13.130 28.468 1.00 18.84 H new ATOM 0 HA GLU A 77 57.433 11.833 27.544 1.00 23.65 H new ATOM 0 HB2 GLU A 77 55.581 11.110 29.642 1.00 21.86 H new ATOM 0 HB3 GLU A 77 56.716 10.124 29.225 1.00 21.86 H new ATOM 0 HG2 GLU A 77 58.365 11.736 29.796 1.00 24.43 H new ATOM 0 HG3 GLU A 77 57.255 12.777 30.137 1.00 24.43 H new ATOM 897 N GLY A 78 54.854 11.273 26.173 1.00 26.82 N ATOM 898 CA GLY A 78 54.204 10.374 25.192 1.00 27.75 C ATOM 899 C GLY A 78 52.830 9.822 25.561 1.00 28.63 C ATOM 900 O GLY A 78 52.109 9.466 24.650 1.00 31.44 O ATOM 0 H GLY A 78 54.529 12.067 26.233 1.00 26.82 H new ATOM 0 HA2 GLY A 78 54.121 10.854 24.353 1.00 27.75 H new ATOM 0 HA3 GLY A 78 54.797 9.623 25.032 1.00 27.75 H new ATOM 904 N ASN A 79 52.436 9.740 26.811 1.00 23.52 N ATOM 905 CA ASN A 79 51.049 9.169 27.063 1.00 24.76 C ATOM 906 C ASN A 79 50.036 10.187 27.512 1.00 21.88 C ATOM 907 O ASN A 79 49.071 9.808 28.144 1.00 22.50 O ATOM 908 CB ASN A 79 51.101 8.095 28.147 1.00 25.54 C ATOM 909 CG ASN A 79 52.098 7.072 27.686 1.00 29.06 C ATOM 910 OD1 ASN A 79 53.086 6.837 28.348 1.00 28.08 O ATOM 911 ND2 ASN A 79 51.915 6.432 26.568 1.00 31.33 N ATOM 0 H ASN A 79 52.886 9.978 27.504 1.00 23.52 H new ATOM 0 HA ASN A 79 50.771 8.814 26.204 1.00 24.76 H new ATOM 0 HB2 ASN A 79 51.366 8.476 28.998 1.00 25.54 H new ATOM 0 HB3 ASN A 79 50.228 7.692 28.276 1.00 25.54 H new ATOM 0 HD21 ASN A 79 52.492 5.850 26.306 1.00 31.33 H new ATOM 0 HD22 ASN A 79 51.218 6.591 26.091 1.00 31.33 H new ATOM 918 N GLU A 80 50.217 11.418 27.158 1.00 20.39 N ATOM 919 CA GLU A 80 49.241 12.451 27.614 1.00 16.95 C ATOM 920 C GLU A 80 48.162 12.783 26.646 1.00 15.99 C ATOM 921 O GLU A 80 48.345 12.591 25.464 1.00 11.28 O ATOM 922 CB GLU A 80 49.921 13.789 27.898 1.00 15.93 C ATOM 923 CG GLU A 80 51.012 13.636 28.952 1.00 16.20 C ATOM 924 CD GLU A 80 52.393 13.372 28.324 1.00 14.67 C ATOM 925 OE1 GLU A 80 52.533 12.757 27.287 1.00 15.34 O ATOM 926 OE2 GLU A 80 53.297 13.829 28.966 1.00 16.06 O ATOM 0 H GLU A 80 50.865 11.706 26.671 1.00 20.39 H new ATOM 0 HA GLU A 80 48.859 12.035 28.402 1.00 16.95 H new ATOM 0 HB2 GLU A 80 50.305 14.141 27.079 1.00 15.93 H new ATOM 0 HB3 GLU A 80 49.262 14.433 28.201 1.00 15.93 H new ATOM 0 HG2 GLU A 80 51.053 14.440 29.493 1.00 16.20 H new ATOM 0 HG3 GLU A 80 50.784 12.905 29.548 1.00 16.20 H new ATOM 933 N GLN A 81 47.084 13.264 27.193 1.00 15.91 N ATOM 934 CA GLN A 81 45.899 13.686 26.401 1.00 15.83 C ATOM 935 C GLN A 81 45.552 15.001 27.142 1.00 17.89 C ATOM 936 O GLN A 81 45.332 14.964 28.340 1.00 10.03 O ATOM 937 CB GLN A 81 44.728 12.682 26.501 1.00 15.94 C ATOM 938 CG GLN A 81 45.088 11.425 25.727 1.00 16.60 C ATOM 939 CD GLN A 81 43.915 10.464 25.768 1.00 17.62 C ATOM 940 OE1 GLN A 81 42.831 10.802 25.321 1.00 17.78 O ATOM 941 NE2 GLN A 81 44.076 9.277 26.288 1.00 19.76 N ATOM 0 H GLN A 81 46.990 13.367 28.042 1.00 15.91 H new ATOM 0 HA GLN A 81 46.062 13.761 25.448 1.00 15.83 H new ATOM 0 HB2 GLN A 81 44.551 12.465 27.430 1.00 15.94 H new ATOM 0 HB3 GLN A 81 43.917 13.076 26.142 1.00 15.94 H new ATOM 0 HG2 GLN A 81 45.306 11.648 24.809 1.00 16.60 H new ATOM 0 HG3 GLN A 81 45.875 11.009 26.112 1.00 16.60 H new ATOM 0 HE21 GLN A 81 44.843 9.045 26.601 1.00 19.76 H new ATOM 0 HE22 GLN A 81 43.415 8.727 26.317 1.00 19.76 H new ATOM 950 N PHE A 82 45.531 16.100 26.426 1.00 13.35 N ATOM 951 CA PHE A 82 45.211 17.456 27.005 1.00 14.89 C ATOM 952 C PHE A 82 43.885 17.801 26.401 1.00 13.78 C ATOM 953 O PHE A 82 43.836 17.944 25.190 1.00 17.53 O ATOM 954 CB PHE A 82 46.256 18.463 26.558 1.00 15.27 C ATOM 955 CG PHE A 82 47.672 18.128 27.098 1.00 19.63 C ATOM 956 CD1 PHE A 82 48.760 18.750 26.517 1.00 20.25 C ATOM 957 CD2 PHE A 82 47.908 17.265 28.158 1.00 18.13 C ATOM 958 CE1 PHE A 82 50.031 18.515 26.987 1.00 21.13 C ATOM 959 CE2 PHE A 82 49.181 17.040 28.618 1.00 20.55 C ATOM 960 CZ PHE A 82 50.245 17.660 28.040 1.00 18.65 C ATOM 0 H PHE A 82 45.698 16.115 25.583 1.00 13.35 H new ATOM 0 HA PHE A 82 45.198 17.461 27.975 1.00 14.89 H new ATOM 0 HB2 PHE A 82 46.281 18.491 25.589 1.00 15.27 H new ATOM 0 HB3 PHE A 82 45.999 19.348 26.860 1.00 15.27 H new ATOM 0 HD1 PHE A 82 48.632 19.332 25.803 1.00 20.25 H new ATOM 0 HD2 PHE A 82 47.192 16.832 28.563 1.00 18.13 H new ATOM 0 HE1 PHE A 82 50.755 18.940 26.587 1.00 21.13 H new ATOM 0 HE2 PHE A 82 49.318 16.459 29.331 1.00 20.55 H new ATOM 0 HZ PHE A 82 51.107 17.507 28.354 1.00 18.65 H new ATOM 970 N ILE A 83 42.869 17.926 27.203 1.00 14.02 N ATOM 971 CA ILE A 83 41.525 18.254 26.653 1.00 14.08 C ATOM 972 C ILE A 83 40.928 19.400 27.431 1.00 10.50 C ATOM 973 O ILE A 83 41.024 19.394 28.640 1.00 13.37 O ATOM 974 CB ILE A 83 40.651 16.929 26.736 1.00 16.86 C ATOM 975 CG1 ILE A 83 41.340 15.743 25.902 1.00 18.73 C ATOM 976 CG2 ILE A 83 39.206 17.213 26.164 1.00 16.57 C ATOM 977 CD1 ILE A 83 40.729 14.358 26.213 1.00 18.59 C ATOM 0 H ILE A 83 42.903 17.833 28.057 1.00 14.02 H new ATOM 0 HA ILE A 83 41.567 18.544 25.728 1.00 14.08 H new ATOM 0 HB ILE A 83 40.587 16.656 27.665 1.00 16.86 H new ATOM 0 HG12 ILE A 83 41.250 15.926 24.954 1.00 18.73 H new ATOM 0 HG13 ILE A 83 42.290 15.724 26.099 1.00 18.73 H new ATOM 0 HG21 ILE A 83 38.673 16.404 26.215 1.00 16.57 H new ATOM 0 HG22 ILE A 83 38.783 17.912 26.686 1.00 16.57 H new ATOM 0 HG23 ILE A 83 39.274 17.497 25.239 1.00 16.57 H new ATOM 0 HD11 ILE A 83 41.179 13.680 25.685 1.00 18.59 H new ATOM 0 HD12 ILE A 83 40.840 14.160 27.156 1.00 18.59 H new ATOM 0 HD13 ILE A 83 39.784 14.364 25.993 1.00 18.59 H new ATOM 989 N SER A 84 40.322 20.333 26.766 1.00 6.96 N ATOM 990 CA SER A 84 39.726 21.482 27.507 1.00 13.46 C ATOM 991 C SER A 84 38.383 21.058 28.048 1.00 14.63 C ATOM 992 O SER A 84 37.813 20.119 27.527 1.00 17.61 O ATOM 993 CB SER A 84 39.485 22.701 26.590 1.00 19.24 C ATOM 994 OG SER A 84 40.758 23.151 26.130 1.00 20.14 O ATOM 0 H SER A 84 40.228 20.353 25.911 1.00 6.96 H new ATOM 0 HA SER A 84 40.346 21.733 28.209 1.00 13.46 H new ATOM 0 HB2 SER A 84 38.918 22.458 25.841 1.00 19.24 H new ATOM 0 HB3 SER A 84 39.028 23.407 27.074 1.00 19.24 H new ATOM 0 HG SER A 84 40.655 23.815 25.626 1.00 20.14 H new ATOM 1000 N ALA A 85 37.933 21.778 29.054 1.00 14.40 N ATOM 1001 CA ALA A 85 36.621 21.500 29.710 1.00 16.74 C ATOM 1002 C ALA A 85 35.581 22.291 28.915 1.00 15.62 C ATOM 1003 O ALA A 85 35.930 23.362 28.461 1.00 18.77 O ATOM 1004 CB ALA A 85 36.595 22.023 31.175 1.00 15.21 C ATOM 0 H ALA A 85 38.360 22.444 29.391 1.00 14.40 H new ATOM 0 HA ALA A 85 36.454 20.545 29.726 1.00 16.74 H new ATOM 0 HB1 ALA A 85 35.732 21.828 31.573 1.00 15.21 H new ATOM 0 HB2 ALA A 85 37.293 21.586 31.687 1.00 15.21 H new ATOM 0 HB3 ALA A 85 36.743 22.982 31.179 1.00 15.21 H new ATOM 1010 N SER A 86 34.391 21.777 28.753 1.00 14.08 N ATOM 1011 CA SER A 86 33.312 22.476 28.007 1.00 14.92 C ATOM 1012 C SER A 86 32.415 23.094 29.056 1.00 14.95 C ATOM 1013 O SER A 86 31.762 24.087 28.764 1.00 15.91 O ATOM 1014 CB SER A 86 32.535 21.462 27.129 1.00 19.71 C ATOM 1015 OG SER A 86 32.420 20.264 27.901 1.00 23.74 O ATOM 0 H SER A 86 34.159 21.010 29.065 1.00 14.08 H new ATOM 0 HA SER A 86 33.662 23.156 27.410 1.00 14.92 H new ATOM 0 HB2 SER A 86 31.659 21.808 26.895 1.00 19.71 H new ATOM 0 HB3 SER A 86 33.005 21.293 26.297 1.00 19.71 H new ATOM 0 HG SER A 86 32.001 19.685 27.459 1.00 23.74 H new ATOM 1021 N LYS A 87 32.299 22.445 30.202 1.00 12.72 N ATOM 1022 CA LYS A 87 31.469 22.936 31.331 1.00 13.23 C ATOM 1023 C LYS A 87 31.952 22.386 32.683 1.00 14.38 C ATOM 1024 O LYS A 87 32.531 21.318 32.720 1.00 13.09 O ATOM 1025 CB ALYS A 87 29.964 22.562 31.118 0.57 15.39 C ATOM 1026 CB BLYS A 87 30.004 22.498 31.020 0.47 17.55 C ATOM 1027 CG ALYS A 87 29.544 21.091 31.135 0.57 15.99 C ATOM 1028 CG BLYS A 87 29.032 22.786 32.180 0.47 19.63 C ATOM 1029 CD ALYS A 87 28.037 21.042 30.692 0.57 16.59 C ATOM 1030 CD BLYS A 87 27.567 22.908 31.692 0.47 23.17 C ATOM 1031 CE ALYS A 87 27.107 22.070 31.464 0.57 18.42 C ATOM 1032 CE BLYS A 87 27.124 21.824 30.681 0.47 26.25 C ATOM 1033 NZ ALYS A 87 25.746 22.073 30.854 0.57 20.90 N ATOM 1034 NZ BLYS A 87 25.676 22.030 30.387 0.47 28.07 N ATOM 0 H LYS A 87 32.697 21.700 30.363 1.00 12.72 H new ATOM 0 HA LYS A 87 31.561 23.901 31.349 1.00 13.23 H new ATOM 0 HB2ALYS A 87 29.451 23.019 31.803 0.57 17.55 H new ATOM 0 HB2BLYS A 87 29.696 22.959 30.224 0.47 17.55 H new ATOM 0 HB3ALYS A 87 29.690 22.933 30.264 0.57 17.55 H new ATOM 0 HB3BLYS A 87 29.991 21.549 30.821 0.47 17.55 H new ATOM 0 HG2ALYS A 87 30.097 20.569 30.533 0.57 19.63 H new ATOM 0 HG2BLYS A 87 29.095 22.076 32.838 0.47 19.63 H new ATOM 0 HG3ALYS A 87 29.654 20.712 32.021 0.57 19.63 H new ATOM 0 HG3BLYS A 87 29.294 23.608 32.624 0.47 19.63 H new ATOM 0 HD2ALYS A 87 27.983 21.222 29.740 0.57 23.17 H new ATOM 0 HD2BLYS A 87 26.979 22.872 32.463 0.47 23.17 H new ATOM 0 HD3ALYS A 87 27.697 20.144 30.831 0.57 23.17 H new ATOM 0 HD3BLYS A 87 27.447 23.780 31.284 0.47 23.17 H new ATOM 0 HE2ALYS A 87 27.050 21.827 32.401 0.57 26.25 H new ATOM 0 HE2BLYS A 87 27.647 21.886 29.867 0.47 26.25 H new ATOM 0 HE3ALYS A 87 27.491 22.960 31.424 0.57 26.25 H new ATOM 0 HE3BLYS A 87 27.273 20.938 31.047 0.47 26.25 H new ATOM 0 HZ1ALYS A 87 25.379 22.878 30.951 0.57 28.07 H new ATOM 0 HZ1BLYS A 87 25.514 21.826 29.536 0.47 28.07 H new ATOM 0 HZ2ALYS A 87 25.808 21.879 29.988 0.57 28.07 H new ATOM 0 HZ2BLYS A 87 25.188 21.506 30.916 0.47 28.07 H new ATOM 0 HZ3ALYS A 87 25.238 21.464 31.258 0.57 28.07 H new ATOM 0 HZ3BLYS A 87 25.461 22.881 30.534 0.47 28.07 H new ATOM 1059 N SER A 88 31.727 23.254 33.696 1.00 14.14 N ATOM 1060 CA SER A 88 32.051 22.933 35.146 1.00 15.88 C ATOM 1061 C SER A 88 30.753 23.100 35.925 1.00 14.20 C ATOM 1062 O SER A 88 30.056 24.069 35.657 1.00 10.79 O ATOM 1063 CB SER A 88 33.015 23.934 35.859 1.00 14.06 C ATOM 1064 OG SER A 88 34.183 23.963 35.072 1.00 17.68 O ATOM 0 H SER A 88 31.389 24.036 33.581 1.00 14.14 H new ATOM 0 HA SER A 88 32.461 22.054 35.133 1.00 15.88 H new ATOM 0 HB2 SER A 88 32.616 24.816 35.924 1.00 14.06 H new ATOM 0 HB3 SER A 88 33.211 23.644 36.764 1.00 14.06 H new ATOM 0 HG SER A 88 34.738 24.492 35.414 1.00 17.68 H new ATOM 1070 N ILE A 89 30.508 22.190 36.836 1.00 12.53 N ATOM 1071 CA ILE A 89 29.286 22.239 37.676 1.00 11.85 C ATOM 1072 C ILE A 89 29.713 22.046 39.120 1.00 10.40 C ATOM 1073 O ILE A 89 30.053 20.955 39.547 1.00 7.86 O ATOM 1074 CB ILE A 89 28.295 21.111 37.328 1.00 13.03 C ATOM 1075 CG1 ILE A 89 27.982 21.189 35.823 1.00 16.35 C ATOM 1076 CG2 ILE A 89 26.979 21.373 38.119 1.00 17.15 C ATOM 1077 CD1 ILE A 89 27.159 19.941 35.371 1.00 19.65 C ATOM 0 H ILE A 89 31.026 21.524 37.001 1.00 12.53 H new ATOM 0 HA ILE A 89 28.845 23.090 37.524 1.00 11.85 H new ATOM 0 HB ILE A 89 28.665 20.243 37.551 1.00 13.03 H new ATOM 0 HG12 ILE A 89 27.483 21.999 35.632 1.00 16.35 H new ATOM 0 HG13 ILE A 89 28.808 21.239 35.317 1.00 16.35 H new ATOM 0 HG21 ILE A 89 26.336 20.675 37.918 1.00 17.15 H new ATOM 0 HG22 ILE A 89 27.168 21.373 39.070 1.00 17.15 H new ATOM 0 HG23 ILE A 89 26.613 22.234 37.862 1.00 17.15 H new ATOM 0 HD11 ILE A 89 26.970 20.004 34.422 1.00 19.65 H new ATOM 0 HD12 ILE A 89 27.670 19.135 35.545 1.00 19.65 H new ATOM 0 HD13 ILE A 89 26.325 19.907 35.865 1.00 19.65 H new ATOM 1089 N VAL A 90 29.676 23.110 39.842 1.00 10.90 N ATOM 1090 CA VAL A 90 30.057 23.056 41.253 1.00 10.35 C ATOM 1091 C VAL A 90 28.766 22.587 41.940 1.00 13.31 C ATOM 1092 O VAL A 90 27.672 22.943 41.532 1.00 14.58 O ATOM 1093 CB VAL A 90 30.467 24.473 41.697 1.00 8.83 C ATOM 1094 CG1 VAL A 90 30.547 24.528 43.213 1.00 9.29 C ATOM 1095 CG2 VAL A 90 31.797 24.943 41.087 1.00 10.81 C ATOM 0 H VAL A 90 29.437 23.886 39.558 1.00 10.90 H new ATOM 0 HA VAL A 90 30.804 22.473 41.458 1.00 10.35 H new ATOM 0 HB VAL A 90 29.784 25.079 41.369 1.00 8.83 H new ATOM 0 HG11 VAL A 90 30.805 25.421 43.491 1.00 9.29 H new ATOM 0 HG12 VAL A 90 29.681 24.310 43.591 1.00 9.29 H new ATOM 0 HG13 VAL A 90 31.206 23.889 43.526 1.00 9.29 H new ATOM 0 HG21 VAL A 90 32.000 25.837 41.403 1.00 10.81 H new ATOM 0 HG22 VAL A 90 32.507 24.338 41.353 1.00 10.81 H new ATOM 0 HG23 VAL A 90 31.725 24.951 40.120 1.00 10.81 H new ATOM 1105 N HIS A 91 28.937 21.793 42.967 1.00 13.96 N ATOM 1106 CA HIS A 91 27.771 21.271 43.725 1.00 16.61 C ATOM 1107 C HIS A 91 26.847 22.464 44.117 1.00 15.64 C ATOM 1108 O HIS A 91 27.343 23.483 44.578 1.00 18.19 O ATOM 1109 CB HIS A 91 28.264 20.568 44.996 1.00 15.70 C ATOM 1110 CG HIS A 91 27.124 19.810 45.674 1.00 16.63 C ATOM 1111 ND1 HIS A 91 26.309 20.361 46.547 1.00 20.60 N ATOM 1112 CD2 HIS A 91 26.788 18.483 45.464 1.00 15.85 C ATOM 1113 CE1 HIS A 91 25.486 19.398 46.869 1.00 17.79 C ATOM 1114 NE2 HIS A 91 25.770 18.309 46.235 1.00 18.09 N ATOM 0 H HIS A 91 29.703 21.533 43.258 1.00 13.96 H new ATOM 0 HA HIS A 91 27.278 20.639 43.178 1.00 16.61 H new ATOM 0 HB2 HIS A 91 28.980 19.952 44.773 1.00 15.70 H new ATOM 0 HB3 HIS A 91 28.633 21.222 45.610 1.00 15.70 H new ATOM 0 HD2 HIS A 91 27.198 17.866 44.902 1.00 15.85 H new ATOM 0 HE1 HIS A 91 24.787 19.485 47.476 1.00 17.79 H new ATOM 0 HE2 HIS A 91 25.339 17.569 46.316 1.00 18.09 H new ATOM 1122 N PRO A 92 25.556 22.316 43.930 1.00 13.07 N ATOM 1123 CA PRO A 92 24.578 23.369 44.288 1.00 15.02 C ATOM 1124 C PRO A 92 24.639 23.855 45.715 1.00 12.02 C ATOM 1125 O PRO A 92 24.276 24.983 45.959 1.00 13.64 O ATOM 1126 CB PRO A 92 23.217 22.767 43.927 1.00 14.36 C ATOM 1127 CG PRO A 92 23.480 21.228 43.919 1.00 16.13 C ATOM 1128 CD PRO A 92 24.880 21.114 43.346 1.00 14.27 C ATOM 0 HA PRO A 92 24.774 24.184 43.800 1.00 15.02 H new ATOM 0 HB2 PRO A 92 22.538 23.009 44.576 1.00 14.36 H new ATOM 0 HB3 PRO A 92 22.908 23.080 43.062 1.00 14.36 H new ATOM 0 HG2 PRO A 92 23.427 20.851 44.811 1.00 16.13 H new ATOM 0 HG3 PRO A 92 22.831 20.757 43.373 1.00 16.13 H new ATOM 0 HD2 PRO A 92 25.315 20.288 43.612 1.00 14.27 H new ATOM 0 HD3 PRO A 92 24.878 21.134 42.376 1.00 14.27 H new ATOM 1136 N SER A 93 25.083 23.029 46.614 1.00 10.55 N ATOM 1137 CA SER A 93 25.165 23.442 48.049 1.00 10.91 C ATOM 1138 C SER A 93 26.583 23.620 48.624 1.00 11.76 C ATOM 1139 O SER A 93 26.814 23.539 49.817 1.00 7.35 O ATOM 1140 CB SER A 93 24.408 22.390 48.889 1.00 12.38 C ATOM 1141 OG SER A 93 23.175 22.103 48.212 1.00 17.23 O ATOM 0 H SER A 93 25.347 22.227 46.451 1.00 10.55 H new ATOM 0 HA SER A 93 24.770 24.327 48.094 1.00 10.91 H new ATOM 0 HB2 SER A 93 24.939 21.584 48.986 1.00 12.38 H new ATOM 0 HB3 SER A 93 24.236 22.726 49.783 1.00 12.38 H new ATOM 0 HG SER A 93 22.742 21.530 48.648 1.00 17.23 H new ATOM 1147 N TYR A 94 27.516 23.870 47.764 1.00 12.95 N ATOM 1148 CA TYR A 94 28.912 24.059 48.213 1.00 13.99 C ATOM 1149 C TYR A 94 29.049 25.375 49.005 1.00 15.85 C ATOM 1150 O TYR A 94 28.703 26.447 48.521 1.00 19.95 O ATOM 1151 CB TYR A 94 29.853 24.068 46.963 1.00 13.73 C ATOM 1152 CG TYR A 94 31.273 24.565 47.338 1.00 11.41 C ATOM 1153 CD1 TYR A 94 31.743 25.775 46.861 1.00 12.89 C ATOM 1154 CD2 TYR A 94 32.117 23.799 48.125 1.00 13.17 C ATOM 1155 CE1 TYR A 94 33.001 26.208 47.144 1.00 13.00 C ATOM 1156 CE2 TYR A 94 33.388 24.240 48.408 1.00 13.44 C ATOM 1157 CZ TYR A 94 33.840 25.443 47.918 1.00 12.62 C ATOM 1158 OH TYR A 94 35.117 25.883 48.160 1.00 12.29 O ATOM 0 H TYR A 94 27.393 23.940 46.916 1.00 12.95 H new ATOM 0 HA TYR A 94 29.165 23.330 48.800 1.00 13.99 H new ATOM 0 HB2 TYR A 94 29.908 23.175 46.589 1.00 13.73 H new ATOM 0 HB3 TYR A 94 29.478 24.640 46.276 1.00 13.73 H new ATOM 0 HD1 TYR A 94 31.187 26.304 46.336 1.00 12.89 H new ATOM 0 HD2 TYR A 94 31.823 22.984 48.463 1.00 13.17 H new ATOM 0 HE1 TYR A 94 33.295 27.026 46.812 1.00 13.00 H new ATOM 0 HE2 TYR A 94 33.948 23.719 48.937 1.00 13.44 H new ATOM 0 HH TYR A 94 35.117 26.720 48.226 1.00 12.29 H new ATOM 1168 N ASN A 95 29.566 25.245 50.188 1.00 15.83 N ATOM 1169 CA ASN A 95 29.782 26.402 51.104 1.00 16.94 C ATOM 1170 C ASN A 95 31.302 26.665 51.098 1.00 14.85 C ATOM 1171 O ASN A 95 32.039 25.901 51.697 1.00 12.35 O ATOM 1172 CB ASN A 95 29.282 25.973 52.471 1.00 17.06 C ATOM 1173 CG ASN A 95 29.255 27.173 53.386 1.00 17.83 C ATOM 1174 OD1 ASN A 95 30.165 27.982 53.436 1.00 18.27 O ATOM 1175 ND2 ASN A 95 28.220 27.337 54.150 1.00 22.05 N ATOM 0 H ASN A 95 29.815 24.490 50.516 1.00 15.83 H new ATOM 0 HA ASN A 95 29.316 27.212 50.846 1.00 16.94 H new ATOM 0 HB2 ASN A 95 28.395 25.588 52.397 1.00 17.06 H new ATOM 0 HB3 ASN A 95 29.859 25.285 52.838 1.00 17.06 H new ATOM 0 HD21 ASN A 95 28.182 28.010 54.684 1.00 22.05 H new ATOM 0 HD22 ASN A 95 27.572 26.772 54.123 1.00 22.05 H new ATOM 1182 N SER A 96 31.761 27.707 50.458 1.00 16.25 N ATOM 1183 CA SER A 96 33.237 27.965 50.423 1.00 18.02 C ATOM 1184 C SER A 96 33.848 28.349 51.756 1.00 17.68 C ATOM 1185 O SER A 96 35.063 28.390 51.888 1.00 19.85 O ATOM 1186 CB SER A 96 33.531 29.072 49.379 1.00 17.01 C ATOM 1187 OG SER A 96 32.846 30.247 49.805 1.00 18.07 O ATOM 0 H SER A 96 31.277 28.281 50.039 1.00 16.25 H new ATOM 0 HA SER A 96 33.652 27.123 50.180 1.00 18.02 H new ATOM 0 HB2 SER A 96 34.485 29.236 49.314 1.00 17.01 H new ATOM 0 HB3 SER A 96 33.229 28.800 48.498 1.00 17.01 H new ATOM 0 HG SER A 96 32.988 30.868 49.258 1.00 18.07 H new ATOM 1193 N ASN A 97 32.999 28.604 52.697 1.00 19.06 N ATOM 1194 CA ASN A 97 33.516 28.991 54.041 1.00 19.52 C ATOM 1195 C ASN A 97 33.710 27.753 54.859 1.00 18.63 C ATOM 1196 O ASN A 97 34.693 27.713 55.569 1.00 23.45 O ATOM 1197 CB ASN A 97 32.543 29.885 54.837 1.00 22.28 C ATOM 1198 CG ASN A 97 32.653 31.288 54.323 1.00 21.62 C ATOM 1199 OD1 ASN A 97 33.815 31.810 54.073 1.00 25.90 O flip ATOM 1200 ND2 ASN A 97 31.648 31.936 54.150 1.00 24.57 N flip ATOM 0 H ASN A 97 32.143 28.571 52.620 1.00 19.06 H new ATOM 0 HA ASN A 97 34.338 29.483 53.885 1.00 19.52 H new ATOM 0 HB2 ASN A 97 31.634 29.562 54.741 1.00 22.28 H new ATOM 0 HB3 ASN A 97 32.756 29.855 55.783 1.00 22.28 H new ATOM 0 HD21 ASN A 97 30.879 31.589 54.316 1.00 24.57 H new ATOM 0 HD22 ASN A 97 31.702 32.744 53.861 1.00 24.57 H new ATOM 1207 N THR A 98 32.842 26.780 54.801 1.00 17.61 N ATOM 1208 CA THR A 98 33.080 25.556 55.646 1.00 18.14 C ATOM 1209 C THR A 98 33.688 24.395 54.818 1.00 18.84 C ATOM 1210 O THR A 98 34.214 23.433 55.363 1.00 19.65 O ATOM 1211 CB THR A 98 31.721 25.157 56.259 1.00 16.15 C ATOM 1212 OG1 THR A 98 30.876 25.015 55.127 1.00 17.37 O ATOM 1213 CG2 THR A 98 31.116 26.325 57.096 1.00 17.46 C ATOM 0 H THR A 98 32.132 26.770 54.316 1.00 17.61 H new ATOM 0 HA THR A 98 33.726 25.751 56.343 1.00 18.14 H new ATOM 0 HB THR A 98 31.809 24.375 56.826 1.00 16.15 H new ATOM 0 HG1 THR A 98 30.106 24.794 55.378 1.00 17.37 H new ATOM 0 HG21 THR A 98 30.264 26.049 57.469 1.00 17.46 H new ATOM 0 HG22 THR A 98 31.724 26.556 57.816 1.00 17.46 H new ATOM 0 HG23 THR A 98 30.983 27.098 56.525 1.00 17.46 H new ATOM 1221 N LEU A 99 33.560 24.574 53.533 1.00 15.98 N ATOM 1222 CA LEU A 99 34.014 23.665 52.466 1.00 16.87 C ATOM 1223 C LEU A 99 33.093 22.451 52.453 1.00 14.54 C ATOM 1224 O LEU A 99 33.488 21.388 52.001 1.00 10.78 O ATOM 1225 CB LEU A 99 35.490 23.123 52.632 1.00 18.87 C ATOM 1226 CG LEU A 99 36.610 24.173 52.303 1.00 21.78 C ATOM 1227 CD1 LEU A 99 37.801 23.413 51.577 1.00 22.57 C ATOM 1228 CD2 LEU A 99 36.147 25.304 51.397 1.00 22.07 C ATOM 0 H LEU A 99 33.179 25.277 53.216 1.00 15.98 H new ATOM 0 HA LEU A 99 33.993 24.186 51.648 1.00 16.87 H new ATOM 0 HB2 LEU A 99 35.609 22.815 53.544 1.00 18.87 H new ATOM 0 HB3 LEU A 99 35.606 22.352 52.055 1.00 18.87 H new ATOM 0 HG LEU A 99 36.877 24.576 53.144 1.00 21.78 H new ATOM 0 HD11 LEU A 99 38.506 24.044 51.364 1.00 22.57 H new ATOM 0 HD12 LEU A 99 38.151 22.724 52.164 1.00 22.57 H new ATOM 0 HD13 LEU A 99 37.475 23.006 50.759 1.00 22.57 H new ATOM 0 HD21 LEU A 99 36.885 25.912 51.236 1.00 22.07 H new ATOM 0 HD22 LEU A 99 35.840 24.938 50.553 1.00 22.07 H new ATOM 0 HD23 LEU A 99 35.420 25.784 51.824 1.00 22.07 H new ATOM 1240 N ASN A 100 31.886 22.633 52.941 1.00 8.93 N ATOM 1241 CA ASN A 100 30.942 21.478 52.948 1.00 7.83 C ATOM 1242 C ASN A 100 30.478 21.309 51.486 1.00 9.37 C ATOM 1243 O ASN A 100 30.280 22.314 50.842 1.00 6.90 O ATOM 1244 CB ASN A 100 29.800 21.852 53.927 1.00 10.25 C ATOM 1245 CG ASN A 100 28.759 20.738 54.147 1.00 12.06 C ATOM 1246 OD1 ASN A 100 29.041 19.541 54.145 1.00 12.71 O ATOM 1247 ND2 ASN A 100 27.529 21.097 54.357 1.00 11.87 N ATOM 0 H ASN A 100 31.582 23.370 53.264 1.00 8.93 H new ATOM 0 HA ASN A 100 31.318 20.635 53.246 1.00 7.83 H new ATOM 0 HB2 ASN A 100 30.188 22.090 54.783 1.00 10.25 H new ATOM 0 HB3 ASN A 100 29.347 22.641 53.591 1.00 10.25 H new ATOM 0 HD21 ASN A 100 26.924 20.501 54.492 1.00 11.87 H new ATOM 0 HD22 ASN A 100 27.319 21.931 54.361 1.00 11.87 H new ATOM 1254 N ASN A 101 30.324 20.086 51.021 1.00 9.06 N ATOM 1255 CA ASN A 101 29.893 19.729 49.624 1.00 9.52 C ATOM 1256 C ASN A 101 30.946 20.207 48.637 1.00 10.41 C ATOM 1257 O ASN A 101 30.709 20.803 47.594 1.00 9.09 O ATOM 1258 CB ASN A 101 28.548 20.373 49.236 1.00 12.45 C ATOM 1259 CG ASN A 101 27.443 19.948 50.193 1.00 11.05 C ATOM 1260 OD1 ASN A 101 27.152 18.789 50.407 1.00 13.47 O ATOM 1261 ND2 ASN A 101 26.768 20.858 50.816 1.00 12.42 N ATOM 0 H ASN A 101 30.467 19.393 51.509 1.00 9.06 H new ATOM 0 HA ASN A 101 29.788 18.765 49.597 1.00 9.52 H new ATOM 0 HB2 ASN A 101 28.634 21.339 49.244 1.00 12.45 H new ATOM 0 HB3 ASN A 101 28.312 20.117 48.331 1.00 12.45 H new ATOM 0 HD21 ASN A 101 26.140 20.632 51.358 1.00 12.42 H new ATOM 0 HD22 ASN A 101 26.947 21.689 50.688 1.00 12.42 H new ATOM 1268 N ASP A 102 32.164 19.909 48.981 1.00 11.62 N ATOM 1269 CA ASP A 102 33.325 20.316 48.130 1.00 11.42 C ATOM 1270 C ASP A 102 33.569 19.334 46.985 1.00 12.57 C ATOM 1271 O ASP A 102 34.517 18.565 46.998 1.00 13.06 O ATOM 1272 CB ASP A 102 34.581 20.418 49.040 1.00 12.84 C ATOM 1273 CG ASP A 102 35.858 20.936 48.335 1.00 11.30 C ATOM 1274 OD1 ASP A 102 35.740 21.566 47.300 1.00 11.77 O ATOM 1275 OD2 ASP A 102 36.908 20.669 48.897 1.00 12.15 O ATOM 0 H ASP A 102 32.374 19.475 49.693 1.00 11.62 H new ATOM 0 HA ASP A 102 33.131 21.174 47.721 1.00 11.42 H new ATOM 0 HB2 ASP A 102 34.378 21.006 49.785 1.00 12.84 H new ATOM 0 HB3 ASP A 102 34.766 19.542 49.413 1.00 12.84 H new ATOM 1280 N ILE A 103 32.693 19.385 46.022 1.00 13.61 N ATOM 1281 CA ILE A 103 32.828 18.488 44.834 1.00 11.85 C ATOM 1282 C ILE A 103 32.339 19.274 43.608 1.00 11.88 C ATOM 1283 O ILE A 103 31.449 20.106 43.714 1.00 8.85 O ATOM 1284 CB ILE A 103 32.002 17.219 45.103 1.00 11.04 C ATOM 1285 CG1 ILE A 103 32.152 16.246 43.889 1.00 9.94 C ATOM 1286 CG2 ILE A 103 30.502 17.561 45.359 1.00 10.54 C ATOM 1287 CD1 ILE A 103 31.543 14.845 44.244 1.00 11.83 C ATOM 0 H ILE A 103 32.013 19.911 46.006 1.00 13.61 H new ATOM 0 HA ILE A 103 33.743 18.211 44.668 1.00 11.85 H new ATOM 0 HB ILE A 103 32.337 16.789 45.905 1.00 11.04 H new ATOM 0 HG12 ILE A 103 31.703 16.615 43.112 1.00 9.94 H new ATOM 0 HG13 ILE A 103 33.089 16.150 43.656 1.00 9.94 H new ATOM 0 HG21 ILE A 103 30.007 16.743 45.525 1.00 10.54 H new ATOM 0 HG22 ILE A 103 30.430 18.144 46.131 1.00 10.54 H new ATOM 0 HG23 ILE A 103 30.134 18.008 44.581 1.00 10.54 H new ATOM 0 HD11 ILE A 103 31.640 14.248 43.486 1.00 11.83 H new ATOM 0 HD12 ILE A 103 32.009 14.474 45.009 1.00 11.83 H new ATOM 0 HD13 ILE A 103 30.602 14.946 44.457 1.00 11.83 H new ATOM 1299 N MET A 104 32.945 18.988 42.462 1.00 8.91 N ATOM 1300 CA MET A 104 32.554 19.642 41.194 1.00 11.86 C ATOM 1301 C MET A 104 32.802 18.610 40.065 1.00 11.61 C ATOM 1302 O MET A 104 33.682 17.763 40.168 1.00 7.58 O ATOM 1303 CB AMET A 104 33.451 20.905 41.060 0.63 9.97 C ATOM 1304 CB BMET A 104 33.371 20.960 40.949 0.29 10.12 C ATOM 1305 CG AMET A 104 33.626 21.504 39.652 0.63 12.13 C ATOM 1306 CG BMET A 104 34.707 20.809 40.238 0.29 10.41 C ATOM 1307 SD AMET A 104 34.828 22.867 39.633 0.63 11.52 S ATOM 1308 SD BMET A 104 35.595 22.370 40.015 0.29 9.78 S ATOM 1309 CE AMET A 104 36.387 21.957 39.715 0.63 14.44 C ATOM 1310 CE BMET A 104 34.429 23.180 38.898 0.29 15.02 C ATOM 0 H MET A 104 33.586 18.420 42.386 1.00 8.91 H new ATOM 0 HA MET A 104 31.625 19.917 41.155 1.00 11.86 H new ATOM 0 HB2AMET A 104 33.085 21.595 41.636 0.63 10.12 H new ATOM 0 HB2BMET A 104 32.819 21.567 40.432 0.29 10.12 H new ATOM 0 HB3AMET A 104 34.331 20.685 41.404 0.63 10.12 H new ATOM 0 HB3BMET A 104 33.530 21.382 41.808 0.29 10.12 H new ATOM 0 HG2AMET A 104 33.917 20.810 39.040 0.63 10.41 H new ATOM 0 HG2BMET A 104 35.266 20.198 40.743 0.29 10.41 H new ATOM 0 HG3AMET A 104 32.769 21.825 39.330 0.63 10.41 H new ATOM 0 HG3BMET A 104 34.558 20.404 39.369 0.29 10.41 H new ATOM 0 HE1AMET A 104 36.909 22.276 40.468 0.63 15.02 H new ATOM 0 HE1BMET A 104 34.918 23.675 38.222 0.29 15.02 H new ATOM 0 HE2AMET A 104 36.204 21.011 39.827 0.63 15.02 H new ATOM 0 HE2BMET A 104 33.873 22.511 38.469 0.29 15.02 H new ATOM 0 HE3AMET A 104 36.886 22.095 38.895 0.63 15.02 H new ATOM 0 HE3BMET A 104 33.868 23.790 39.402 0.29 15.02 H new ATOM 1327 N LEU A 105 32.039 18.738 39.049 1.00 11.40 N ATOM 1328 CA LEU A 105 32.091 17.858 37.853 1.00 12.06 C ATOM 1329 C LEU A 105 32.561 18.756 36.720 1.00 8.62 C ATOM 1330 O LEU A 105 32.184 19.916 36.674 1.00 11.18 O ATOM 1331 CB LEU A 105 30.700 17.315 37.467 1.00 10.45 C ATOM 1332 CG LEU A 105 30.227 16.231 38.466 1.00 12.79 C ATOM 1333 CD1 LEU A 105 28.766 15.847 38.139 1.00 14.15 C ATOM 1334 CD2 LEU A 105 31.097 14.989 38.346 1.00 14.97 C ATOM 0 H LEU A 105 31.438 19.351 38.993 1.00 11.40 H new ATOM 0 HA LEU A 105 32.666 17.097 38.028 1.00 12.06 H new ATOM 0 HB2 LEU A 105 30.059 18.043 37.448 1.00 10.45 H new ATOM 0 HB3 LEU A 105 30.732 16.942 36.572 1.00 10.45 H new ATOM 0 HG LEU A 105 30.292 16.582 39.368 1.00 12.79 H new ATOM 0 HD11 LEU A 105 28.463 15.168 38.761 1.00 14.15 H new ATOM 0 HD12 LEU A 105 28.200 16.631 38.216 1.00 14.15 H new ATOM 0 HD13 LEU A 105 28.717 15.501 37.234 1.00 14.15 H new ATOM 0 HD21 LEU A 105 30.792 14.318 38.976 1.00 14.97 H new ATOM 0 HD22 LEU A 105 31.036 14.637 37.444 1.00 14.97 H new ATOM 0 HD23 LEU A 105 32.019 15.219 38.541 1.00 14.97 H new ATOM 1346 N ILE A 106 33.355 18.169 35.871 1.00 9.93 N ATOM 1347 CA ILE A 106 33.930 18.867 34.691 1.00 12.69 C ATOM 1348 C ILE A 106 33.635 17.998 33.450 1.00 13.79 C ATOM 1349 O ILE A 106 33.894 16.808 33.482 1.00 14.36 O ATOM 1350 CB ILE A 106 35.463 19.008 34.906 1.00 15.22 C ATOM 1351 CG1 ILE A 106 35.742 19.912 36.128 1.00 15.39 C ATOM 1352 CG2 ILE A 106 36.145 19.573 33.637 1.00 16.92 C ATOM 1353 CD1 ILE A 106 37.200 19.785 36.534 1.00 14.37 C ATOM 0 H ILE A 106 33.595 17.346 35.939 1.00 9.93 H new ATOM 0 HA ILE A 106 33.547 19.750 34.571 1.00 12.69 H new ATOM 0 HB ILE A 106 35.836 18.129 35.077 1.00 15.22 H new ATOM 0 HG12 ILE A 106 35.536 20.835 35.913 1.00 15.39 H new ATOM 0 HG13 ILE A 106 35.168 19.658 36.867 1.00 15.39 H new ATOM 0 HG21 ILE A 106 37.099 19.653 33.791 1.00 16.92 H new ATOM 0 HG22 ILE A 106 35.988 18.974 32.891 1.00 16.92 H new ATOM 0 HG23 ILE A 106 35.776 20.447 33.433 1.00 16.92 H new ATOM 0 HD11 ILE A 106 37.373 20.353 37.301 1.00 14.37 H new ATOM 0 HD12 ILE A 106 37.393 18.863 36.765 1.00 14.37 H new ATOM 0 HD13 ILE A 106 37.767 20.058 35.796 1.00 14.37 H new ATOM 1365 N LYS A 107 33.135 18.585 32.413 1.00 9.45 N ATOM 1366 CA LYS A 107 32.854 17.786 31.213 1.00 13.83 C ATOM 1367 C LYS A 107 34.004 18.176 30.264 1.00 15.19 C ATOM 1368 O LYS A 107 34.429 19.321 30.263 1.00 14.20 O ATOM 1369 CB LYS A 107 31.491 18.194 30.630 1.00 16.93 C ATOM 1370 CG LYS A 107 31.106 17.142 29.593 1.00 15.91 C ATOM 1371 CD LYS A 107 29.787 17.508 28.933 1.00 19.39 C ATOM 1372 CE LYS A 107 29.360 16.346 28.023 1.00 21.51 C ATOM 1373 NZ LYS A 107 28.178 16.743 27.228 1.00 22.24 N ATOM 0 H LYS A 107 32.946 19.422 32.357 1.00 9.45 H new ATOM 0 HA LYS A 107 32.808 16.830 31.373 1.00 13.83 H new ATOM 0 HB2 LYS A 107 30.821 18.245 31.330 1.00 16.93 H new ATOM 0 HB3 LYS A 107 31.543 19.073 30.222 1.00 16.93 H new ATOM 0 HG2 LYS A 107 31.802 17.071 28.921 1.00 15.91 H new ATOM 0 HG3 LYS A 107 31.032 16.273 30.017 1.00 15.91 H new ATOM 0 HD2 LYS A 107 29.109 17.677 29.606 1.00 19.39 H new ATOM 0 HD3 LYS A 107 29.883 18.323 28.416 1.00 19.39 H new ATOM 0 HE2 LYS A 107 30.090 16.101 27.433 1.00 21.51 H new ATOM 0 HE3 LYS A 107 29.153 15.564 28.558 1.00 21.51 H new ATOM 0 HZ1 LYS A 107 27.881 16.042 26.767 1.00 22.24 H new ATOM 0 HZ2 LYS A 107 27.537 17.033 27.773 1.00 22.24 H new ATOM 0 HZ3 LYS A 107 28.404 17.393 26.664 1.00 22.24 H new ATOM 1387 N LEU A 108 34.454 17.218 29.492 1.00 13.87 N ATOM 1388 CA LEU A 108 35.555 17.417 28.515 1.00 13.64 C ATOM 1389 C LEU A 108 34.942 17.815 27.198 1.00 14.26 C ATOM 1390 O LEU A 108 33.837 17.403 26.873 1.00 12.60 O ATOM 1391 CB LEU A 108 36.334 16.111 28.267 1.00 13.31 C ATOM 1392 CG LEU A 108 36.935 15.459 29.534 1.00 18.11 C ATOM 1393 CD1 LEU A 108 37.683 14.198 29.078 1.00 19.97 C ATOM 1394 CD2 LEU A 108 37.987 16.383 30.204 1.00 22.01 C ATOM 0 H LEU A 108 34.141 16.417 29.503 1.00 13.87 H new ATOM 0 HA LEU A 108 36.158 18.090 28.869 1.00 13.64 H new ATOM 0 HB2 LEU A 108 35.741 15.472 27.841 1.00 13.31 H new ATOM 0 HB3 LEU A 108 37.052 16.292 27.641 1.00 13.31 H new ATOM 0 HG LEU A 108 36.220 15.279 30.164 1.00 18.11 H new ATOM 0 HD11 LEU A 108 38.076 13.758 29.848 1.00 19.97 H new ATOM 0 HD12 LEU A 108 37.062 13.593 28.643 1.00 19.97 H new ATOM 0 HD13 LEU A 108 38.384 14.445 28.454 1.00 19.97 H new ATOM 0 HD21 LEU A 108 38.345 15.947 30.994 1.00 22.01 H new ATOM 0 HD22 LEU A 108 38.707 16.560 29.579 1.00 22.01 H new ATOM 0 HD23 LEU A 108 37.568 17.220 30.459 1.00 22.01 H new ATOM 1406 N LYS A 109 35.670 18.594 26.460 1.00 14.66 N ATOM 1407 CA LYS A 109 35.171 19.036 25.139 1.00 18.93 C ATOM 1408 C LYS A 109 35.064 17.819 24.209 1.00 21.60 C ATOM 1409 O LYS A 109 34.160 17.761 23.392 1.00 19.09 O ATOM 1410 CB LYS A 109 36.131 20.085 24.516 1.00 21.37 C ATOM 1411 CG LYS A 109 35.664 21.482 24.952 0.45 23.77 C ATOM 1412 CD LYS A 109 36.367 22.557 24.097 0.45 27.80 C ATOM 1413 CE LYS A 109 36.078 22.329 22.578 0.45 29.77 C ATOM 1414 NZ LYS A 109 36.552 23.491 21.778 0.45 31.33 N ATOM 0 H LYS A 109 36.448 18.890 26.676 1.00 14.66 H new ATOM 0 HA LYS A 109 34.299 19.445 25.251 1.00 18.93 H new ATOM 0 HB2 LYS A 109 37.042 19.926 24.809 1.00 21.37 H new ATOM 0 HB3 LYS A 109 36.128 20.014 23.549 1.00 21.37 H new ATOM 0 HG2 LYS A 109 34.702 21.556 24.853 0.45 23.77 H new ATOM 0 HG3 LYS A 109 35.864 21.621 25.891 0.45 23.77 H new ATOM 0 HD2 LYS A 109 36.060 23.439 24.361 0.45 27.80 H new ATOM 0 HD3 LYS A 109 37.323 22.530 24.257 0.45 27.80 H new ATOM 0 HE2 LYS A 109 36.520 21.520 22.277 0.45 29.77 H new ATOM 0 HE3 LYS A 109 35.127 22.201 22.440 0.45 29.77 H new ATOM 0 HZ1 LYS A 109 36.381 23.348 20.916 0.45 31.33 H new ATOM 0 HZ2 LYS A 109 36.130 24.228 22.045 0.45 31.33 H new ATOM 0 HZ3 LYS A 109 37.429 23.593 21.893 0.45 31.33 H new ATOM 1428 N SER A 110 35.990 16.916 24.346 1.00 23.26 N ATOM 1429 CA SER A 110 36.004 15.673 23.531 1.00 24.18 C ATOM 1430 C SER A 110 36.146 14.561 24.583 1.00 23.36 C ATOM 1431 O SER A 110 36.579 14.786 25.695 1.00 21.86 O ATOM 1432 CB ASER A 110 37.235 15.683 22.609 0.56 26.82 C ATOM 1433 CB BSER A 110 37.214 15.659 22.574 0.49 23.73 C ATOM 1434 OG ASER A 110 37.059 16.879 21.848 0.56 28.73 O ATOM 1435 OG BSER A 110 36.856 14.626 21.660 0.49 23.15 O ATOM 0 H SER A 110 36.640 16.979 24.905 1.00 23.26 H new ATOM 0 HA SER A 110 35.220 15.567 22.969 1.00 24.18 H new ATOM 0 HB2ASER A 110 38.062 15.698 23.115 0.56 23.73 H new ATOM 0 HB2BSER A 110 37.335 16.512 22.129 0.49 23.73 H new ATOM 0 HB3ASER A 110 37.264 14.897 22.041 0.56 23.73 H new ATOM 0 HB3BSER A 110 38.042 15.462 23.039 0.49 23.73 H new ATOM 0 HG ASER A 110 37.698 16.966 21.310 0.56 23.15 H new ATOM 0 HG BSER A 110 37.462 14.538 21.085 0.49 23.15 H new ATOM 1444 N ALA A 111 35.785 13.383 24.198 1.00 23.53 N ATOM 1445 CA ALA A 111 35.874 12.235 25.145 1.00 23.42 C ATOM 1446 C ALA A 111 37.321 11.732 25.085 1.00 20.89 C ATOM 1447 O ALA A 111 37.982 11.745 24.071 1.00 20.57 O ATOM 1448 CB ALA A 111 34.917 11.107 24.695 1.00 24.94 C ATOM 0 H ALA A 111 35.486 13.191 23.415 1.00 23.53 H new ATOM 0 HA ALA A 111 35.627 12.503 26.044 1.00 23.42 H new ATOM 0 HB1 ALA A 111 34.979 10.363 25.315 1.00 24.94 H new ATOM 0 HB2 ALA A 111 34.006 11.441 24.682 1.00 24.94 H new ATOM 0 HB3 ALA A 111 35.164 10.808 23.806 1.00 24.94 H new ATOM 1454 N ALA A 112 37.793 11.269 26.184 1.00 22.97 N ATOM 1455 CA ALA A 112 39.189 10.771 26.222 1.00 22.12 C ATOM 1456 C ALA A 112 39.227 9.397 25.575 1.00 22.06 C ATOM 1457 O ALA A 112 38.198 8.751 25.492 1.00 18.21 O ATOM 1458 CB ALA A 112 39.612 10.667 27.669 1.00 19.82 C ATOM 0 H ALA A 112 37.361 11.219 26.926 1.00 22.97 H new ATOM 0 HA ALA A 112 39.787 11.369 25.747 1.00 22.12 H new ATOM 0 HB1 ALA A 112 40.525 10.342 27.717 1.00 19.82 H new ATOM 0 HB2 ALA A 112 39.558 11.541 28.086 1.00 19.82 H new ATOM 0 HB3 ALA A 112 39.025 10.051 28.134 1.00 19.82 H new ATOM 1464 N SER A 113 40.401 8.994 25.162 1.00 23.15 N ATOM 1465 CA SER A 113 40.596 7.645 24.521 1.00 25.00 C ATOM 1466 C SER A 113 41.123 6.895 25.759 1.00 22.28 C ATOM 1467 O SER A 113 42.146 7.242 26.330 1.00 18.71 O ATOM 1468 CB SER A 113 41.662 7.721 23.386 1.00 25.12 C ATOM 1469 OG SER A 113 41.132 8.663 22.439 1.00 30.24 O ATOM 0 H SER A 113 41.119 9.462 25.228 1.00 23.15 H new ATOM 0 HA SER A 113 39.823 7.250 24.089 1.00 25.00 H new ATOM 0 HB2 SER A 113 42.520 8.014 23.730 1.00 25.12 H new ATOM 0 HB3 SER A 113 41.802 6.853 22.977 1.00 25.12 H new ATOM 0 HG SER A 113 41.668 8.748 21.798 1.00 30.24 H new ATOM 1475 N LEU A 114 40.412 5.890 26.158 1.00 22.23 N ATOM 1476 CA LEU A 114 40.851 5.144 27.350 1.00 24.86 C ATOM 1477 C LEU A 114 41.735 4.033 26.885 1.00 24.88 C ATOM 1478 O LEU A 114 41.522 3.454 25.838 1.00 24.63 O ATOM 1479 CB LEU A 114 39.654 4.542 28.090 1.00 24.28 C ATOM 1480 CG LEU A 114 38.573 5.561 28.397 1.00 25.41 C ATOM 1481 CD1 LEU A 114 37.480 4.823 29.163 1.00 26.32 C ATOM 1482 CD2 LEU A 114 39.127 6.705 29.242 1.00 24.48 C ATOM 0 H LEU A 114 39.690 5.609 25.785 1.00 22.23 H new ATOM 0 HA LEU A 114 41.315 5.743 27.955 1.00 24.86 H new ATOM 0 HB2 LEU A 114 39.275 3.827 27.554 1.00 24.28 H new ATOM 0 HB3 LEU A 114 39.960 4.143 28.919 1.00 24.28 H new ATOM 0 HG LEU A 114 38.229 5.951 27.578 1.00 25.41 H new ATOM 0 HD11 LEU A 114 36.764 5.440 29.381 1.00 26.32 H new ATOM 0 HD12 LEU A 114 37.130 4.103 28.615 1.00 26.32 H new ATOM 0 HD13 LEU A 114 37.850 4.455 29.981 1.00 26.32 H new ATOM 0 HD21 LEU A 114 38.420 7.343 29.426 1.00 24.48 H new ATOM 0 HD22 LEU A 114 39.470 6.353 30.078 1.00 24.48 H new ATOM 0 HD23 LEU A 114 39.843 7.147 28.759 1.00 24.48 H new ATOM 1494 N ASN A 115 42.711 3.768 27.688 1.00 25.20 N ATOM 1495 CA ASN A 115 43.684 2.696 27.390 1.00 26.60 C ATOM 1496 C ASN A 115 44.268 2.275 28.725 1.00 24.49 C ATOM 1497 O ASN A 115 43.720 2.572 29.771 1.00 24.66 O ATOM 1498 CB ASN A 115 44.731 3.274 26.404 1.00 28.28 C ATOM 1499 CG ASN A 115 45.368 4.543 26.941 1.00 30.57 C ATOM 1500 OD1 ASN A 115 45.986 4.534 27.992 1.00 28.49 O ATOM 1501 ND2 ASN A 115 45.239 5.643 26.252 1.00 33.72 N ATOM 0 H ASN A 115 42.854 4.185 28.426 1.00 25.20 H new ATOM 0 HA ASN A 115 43.300 1.913 26.965 1.00 26.60 H new ATOM 0 HB2 ASN A 115 45.420 2.611 26.238 1.00 28.28 H new ATOM 0 HB3 ASN A 115 44.305 3.461 25.553 1.00 28.28 H new ATOM 0 HD21 ASN A 115 45.592 6.373 26.538 1.00 33.72 H new ATOM 0 HD22 ASN A 115 44.801 5.638 25.512 1.00 33.72 H new ATOM 1508 N SER A 116 45.344 1.590 28.714 1.00 27.13 N ATOM 1509 CA SER A 116 45.965 1.152 29.983 1.00 32.88 C ATOM 1510 C SER A 116 46.430 2.333 30.868 1.00 30.57 C ATOM 1511 O SER A 116 46.402 2.299 32.091 1.00 27.74 O ATOM 1512 CB SER A 116 47.169 0.259 29.621 1.00 35.90 C ATOM 1513 OG SER A 116 46.697 -0.387 28.440 1.00 39.95 O ATOM 0 H SER A 116 45.762 1.348 28.002 1.00 27.13 H new ATOM 0 HA SER A 116 45.303 0.671 30.504 1.00 32.88 H new ATOM 0 HB2 SER A 116 47.972 0.778 29.458 1.00 35.90 H new ATOM 0 HB3 SER A 116 47.379 -0.375 30.325 1.00 35.90 H new ATOM 0 HG SER A 116 47.289 -0.908 28.150 1.00 39.95 H new ATOM 1519 N ARG A 117 46.844 3.358 30.184 1.00 28.45 N ATOM 1520 CA ARG A 117 47.357 4.569 30.868 1.00 27.96 C ATOM 1521 C ARG A 117 46.305 5.595 31.256 1.00 25.16 C ATOM 1522 O ARG A 117 46.580 6.422 32.110 1.00 23.56 O ATOM 1523 CB ARG A 117 48.437 5.170 29.917 1.00 29.68 C ATOM 1524 CG ARG A 117 49.516 4.038 29.701 1.00 30.94 C ATOM 1525 CD ARG A 117 50.716 4.490 28.872 0.21 29.32 C ATOM 1526 NE ARG A 117 51.672 3.335 28.838 0.21 28.73 N ATOM 1527 CZ ARG A 117 52.858 3.379 29.396 0.21 28.62 C ATOM 1528 NH1 ARG A 117 53.278 4.445 30.026 0.21 29.32 N ATOM 1529 NH2 ARG A 117 53.614 2.320 29.305 0.21 28.76 N ATOM 0 H ARG A 117 46.848 3.400 29.325 1.00 28.45 H new ATOM 0 HA ARG A 117 47.722 4.312 31.729 1.00 27.96 H new ATOM 0 HB2 ARG A 117 48.043 5.439 29.072 1.00 29.68 H new ATOM 0 HB3 ARG A 117 48.839 5.962 30.307 1.00 29.68 H new ATOM 0 HG2 ARG A 117 49.828 3.729 30.566 1.00 30.94 H new ATOM 0 HG3 ARG A 117 49.097 3.281 29.263 1.00 30.94 H new ATOM 0 HD2 ARG A 117 50.442 4.737 27.975 0.21 29.32 H new ATOM 0 HD3 ARG A 117 51.133 5.272 29.267 0.21 29.32 H new ATOM 0 HE ARG A 117 51.432 2.614 28.436 0.21 28.73 H new ATOM 0 HH11 ARG A 117 52.773 5.139 30.082 0.21 29.32 H new ATOM 0 HH12 ARG A 117 54.060 4.452 30.385 0.21 29.32 H new ATOM 0 HH21 ARG A 117 53.330 1.623 28.889 0.21 28.76 H new ATOM 0 HH22 ARG A 117 54.397 2.319 29.661 0.21 28.76 H new ATOM 1543 N VAL A 118 45.182 5.515 30.615 1.00 21.62 N ATOM 1544 CA VAL A 118 44.058 6.452 30.893 1.00 21.70 C ATOM 1545 C VAL A 118 42.848 5.496 31.118 1.00 20.21 C ATOM 1546 O VAL A 118 42.378 4.855 30.195 1.00 17.98 O ATOM 1547 CB VAL A 118 43.872 7.376 29.654 1.00 20.21 C ATOM 1548 CG1 VAL A 118 42.732 8.398 29.924 1.00 21.04 C ATOM 1549 CG2 VAL A 118 45.219 8.109 29.367 1.00 20.08 C ATOM 0 H VAL A 118 45.017 4.932 30.005 1.00 21.62 H new ATOM 0 HA VAL A 118 44.186 7.041 31.653 1.00 21.70 H new ATOM 0 HB VAL A 118 43.625 6.849 28.878 1.00 20.21 H new ATOM 0 HG11 VAL A 118 42.620 8.971 29.149 1.00 21.04 H new ATOM 0 HG12 VAL A 118 41.904 7.922 30.095 1.00 21.04 H new ATOM 0 HG13 VAL A 118 42.959 8.940 30.696 1.00 21.04 H new ATOM 0 HG21 VAL A 118 45.115 8.688 28.596 1.00 20.08 H new ATOM 0 HG22 VAL A 118 45.469 8.641 30.139 1.00 20.08 H new ATOM 0 HG23 VAL A 118 45.912 7.454 29.188 1.00 20.08 H new ATOM 1559 N ALA A 119 42.373 5.399 32.323 1.00 17.94 N ATOM 1560 CA ALA A 119 41.223 4.509 32.597 1.00 17.60 C ATOM 1561 C ALA A 119 40.300 5.262 33.588 1.00 18.20 C ATOM 1562 O ALA A 119 40.749 6.186 34.247 1.00 16.09 O ATOM 1563 CB ALA A 119 41.776 3.214 33.177 1.00 16.54 C ATOM 0 H ALA A 119 42.678 5.823 33.006 1.00 17.94 H new ATOM 0 HA ALA A 119 40.708 4.285 31.807 1.00 17.60 H new ATOM 0 HB1 ALA A 119 41.044 2.607 33.368 1.00 16.54 H new ATOM 0 HB2 ALA A 119 42.378 2.803 32.536 1.00 16.54 H new ATOM 0 HB3 ALA A 119 42.259 3.406 33.996 1.00 16.54 H new ATOM 1569 N SER A 120 39.056 4.894 33.701 1.00 17.98 N ATOM 1570 CA SER A 120 38.150 5.610 34.659 1.00 16.12 C ATOM 1571 C SER A 120 38.114 4.848 36.001 1.00 17.23 C ATOM 1572 O SER A 120 38.500 3.693 36.078 1.00 16.77 O ATOM 1573 CB SER A 120 36.788 5.657 34.023 1.00 16.04 C ATOM 1574 OG SER A 120 36.542 4.389 33.395 1.00 21.13 O ATOM 0 H SER A 120 38.691 4.253 33.260 1.00 17.98 H new ATOM 0 HA SER A 120 38.461 6.510 34.843 1.00 16.12 H new ATOM 0 HB2 SER A 120 36.109 5.841 34.691 1.00 16.04 H new ATOM 0 HB3 SER A 120 36.744 6.372 33.369 1.00 16.04 H new ATOM 0 HG SER A 120 36.752 4.433 32.583 1.00 21.13 H new ATOM 1580 N ILE A 121 37.660 5.500 37.031 1.00 15.72 N ATOM 1581 CA ILE A 121 37.601 4.821 38.348 1.00 16.91 C ATOM 1582 C ILE A 121 36.099 4.662 38.591 1.00 17.43 C ATOM 1583 O ILE A 121 35.308 5.452 38.103 1.00 20.44 O ATOM 1584 CB ILE A 121 38.324 5.732 39.452 1.00 15.55 C ATOM 1585 CG1 ILE A 121 38.370 5.061 40.902 1.00 15.01 C ATOM 1586 CG2 ILE A 121 37.709 7.189 39.537 1.00 13.30 C ATOM 1587 CD1 ILE A 121 39.228 3.735 40.933 1.00 16.61 C ATOM 0 H ILE A 121 37.382 6.314 37.020 1.00 15.72 H new ATOM 0 HA ILE A 121 38.057 3.966 38.386 1.00 16.91 H new ATOM 0 HB ILE A 121 39.241 5.809 39.144 1.00 15.55 H new ATOM 0 HG12 ILE A 121 38.739 5.695 41.536 1.00 15.01 H new ATOM 0 HG13 ILE A 121 37.466 4.863 41.192 1.00 15.01 H new ATOM 0 HG21 ILE A 121 38.178 7.699 40.216 1.00 13.30 H new ATOM 0 HG22 ILE A 121 37.803 7.631 38.679 1.00 13.30 H new ATOM 0 HG23 ILE A 121 36.769 7.131 39.769 1.00 13.30 H new ATOM 0 HD11 ILE A 121 39.225 3.368 41.831 1.00 16.61 H new ATOM 0 HD12 ILE A 121 38.847 3.088 40.319 1.00 16.61 H new ATOM 0 HD13 ILE A 121 40.140 3.933 40.669 1.00 16.61 H new ATOM 1599 N SER A 122 35.742 3.670 39.355 1.00 20.96 N ATOM 1600 CA SER A 122 34.309 3.384 39.660 1.00 19.35 C ATOM 1601 C SER A 122 33.820 4.115 40.884 1.00 16.51 C ATOM 1602 O SER A 122 34.564 4.282 41.834 1.00 15.22 O ATOM 1603 CB SER A 122 34.154 1.858 39.884 1.00 17.56 C ATOM 1604 OG SER A 122 34.964 1.249 38.870 0.13 16.90 O ATOM 0 H SER A 122 36.297 3.127 39.725 1.00 20.96 H new ATOM 0 HA SER A 122 33.775 3.691 38.910 1.00 19.35 H new ATOM 0 HB2 SER A 122 34.451 1.602 40.771 1.00 17.56 H new ATOM 0 HB3 SER A 122 33.227 1.584 39.804 1.00 17.56 H new ATOM 0 HG SER A 122 34.921 0.413 38.942 0.13 16.90 H new ATOM 1610 N LEU A 123 32.569 4.501 40.802 1.00 17.89 N ATOM 1611 CA LEU A 123 31.946 5.235 41.939 1.00 20.20 C ATOM 1612 C LEU A 123 31.503 4.094 42.849 1.00 17.23 C ATOM 1613 O LEU A 123 31.225 2.999 42.380 1.00 17.02 O ATOM 1614 CB LEU A 123 30.671 6.073 41.525 1.00 19.09 C ATOM 1615 CG LEU A 123 31.003 7.366 40.687 1.00 20.29 C ATOM 1616 CD1 LEU A 123 29.678 8.072 40.401 1.00 21.63 C ATOM 1617 CD2 LEU A 123 31.899 8.363 41.472 1.00 18.28 C ATOM 0 H LEU A 123 32.055 4.364 40.126 1.00 17.89 H new ATOM 0 HA LEU A 123 32.560 5.878 42.327 1.00 20.20 H new ATOM 0 HB2 LEU A 123 30.076 5.507 41.008 1.00 19.09 H new ATOM 0 HB3 LEU A 123 30.191 6.332 42.327 1.00 19.09 H new ATOM 0 HG LEU A 123 31.476 7.098 39.884 1.00 20.29 H new ATOM 0 HD11 LEU A 123 29.844 8.876 39.885 1.00 21.63 H new ATOM 0 HD12 LEU A 123 29.097 7.480 39.898 1.00 21.63 H new ATOM 0 HD13 LEU A 123 29.250 8.309 41.239 1.00 21.63 H new ATOM 0 HD21 LEU A 123 32.078 9.141 40.921 1.00 18.28 H new ATOM 0 HD22 LEU A 123 31.443 8.639 42.282 1.00 18.28 H new ATOM 0 HD23 LEU A 123 32.737 7.932 41.704 1.00 18.28 H new ATOM 1629 N PRO A 124 31.462 4.395 44.121 1.00 18.44 N ATOM 1630 CA PRO A 124 31.156 3.372 45.164 1.00 20.29 C ATOM 1631 C PRO A 124 29.657 2.994 45.201 1.00 21.64 C ATOM 1632 O PRO A 124 28.837 3.805 44.799 1.00 18.63 O ATOM 1633 CB PRO A 124 31.617 4.035 46.483 1.00 18.90 C ATOM 1634 CG PRO A 124 31.335 5.560 46.208 1.00 16.66 C ATOM 1635 CD PRO A 124 31.721 5.765 44.718 1.00 18.22 C ATOM 0 HA PRO A 124 31.607 2.531 44.992 1.00 20.29 H new ATOM 0 HB2 PRO A 124 31.118 3.707 47.247 1.00 18.90 H new ATOM 0 HB3 PRO A 124 32.555 3.867 46.664 1.00 18.90 H new ATOM 0 HG2 PRO A 124 30.404 5.781 46.365 1.00 16.66 H new ATOM 0 HG3 PRO A 124 31.863 6.128 46.791 1.00 16.66 H new ATOM 0 HD2 PRO A 124 31.180 6.451 44.296 1.00 18.22 H new ATOM 0 HD3 PRO A 124 32.648 6.033 44.619 1.00 18.22 H new ATOM 1643 N THR A 125 29.360 1.806 45.661 1.00 23.79 N ATOM 1644 CA THR A 125 27.964 1.314 45.791 1.00 25.85 C ATOM 1645 C THR A 125 27.597 1.636 47.258 1.00 22.96 C ATOM 1646 O THR A 125 26.433 1.832 47.539 1.00 25.98 O ATOM 1647 CB THR A 125 27.914 -0.198 45.507 1.00 28.60 C ATOM 1648 OG1 THR A 125 29.176 -0.749 45.892 1.00 30.76 O ATOM 1649 CG2 THR A 125 27.819 -0.361 44.002 1.00 30.73 C ATOM 0 H THR A 125 29.953 1.238 45.916 1.00 23.79 H new ATOM 0 HA THR A 125 27.345 1.723 45.166 1.00 25.85 H new ATOM 0 HB THR A 125 27.176 -0.622 45.973 1.00 28.60 H new ATOM 0 HG1 THR A 125 29.176 -1.577 45.749 1.00 30.76 H new ATOM 0 HG21 THR A 125 27.785 -1.305 43.780 1.00 30.73 H new ATOM 0 HG22 THR A 125 27.015 0.076 43.679 1.00 30.73 H new ATOM 0 HG23 THR A 125 28.596 0.042 43.583 1.00 30.73 H new ATOM 1657 N SER A 127 28.548 1.671 48.164 1.00 20.57 N ATOM 1658 CA SER A 127 28.282 1.999 49.613 1.00 19.96 C ATOM 1659 C SER A 127 29.470 2.843 50.098 1.00 17.49 C ATOM 1660 O SER A 127 30.438 3.064 49.390 1.00 16.55 O ATOM 1661 CB SER A 127 28.180 0.708 50.485 1.00 18.55 C ATOM 1662 OG SER A 127 29.269 -0.087 50.045 1.00 18.10 O ATOM 0 H SER A 127 29.375 1.510 47.989 1.00 20.57 H new ATOM 0 HA SER A 127 27.438 2.471 49.695 1.00 19.96 H new ATOM 0 HB2 SER A 127 28.248 0.912 51.431 1.00 18.55 H new ATOM 0 HB3 SER A 127 27.333 0.255 50.352 1.00 18.55 H new ATOM 0 HG SER A 127 29.282 -0.808 50.475 1.00 18.10 H new ATOM 1668 N CYS A 128 29.385 3.279 51.308 1.00 18.58 N ATOM 1669 CA CYS A 128 30.486 4.114 51.877 1.00 20.98 C ATOM 1670 C CYS A 128 31.532 3.154 52.525 1.00 24.19 C ATOM 1671 O CYS A 128 31.171 2.038 52.861 1.00 27.65 O ATOM 1672 CB CYS A 128 29.876 5.015 52.919 1.00 19.92 C ATOM 1673 SG CYS A 128 28.580 6.139 52.384 1.00 16.39 S ATOM 0 H CYS A 128 28.726 3.128 51.840 1.00 18.58 H new ATOM 0 HA CYS A 128 30.926 4.651 51.200 1.00 20.98 H new ATOM 0 HB2 CYS A 128 29.515 4.456 53.625 1.00 19.92 H new ATOM 0 HB3 CYS A 128 30.588 5.544 53.312 1.00 19.92 H new ATOM 1678 N ALA A 129 32.758 3.590 52.710 1.00 21.92 N ATOM 1679 CA ALA A 129 33.766 2.689 53.319 1.00 20.22 C ATOM 1680 C ALA A 129 33.807 2.957 54.810 1.00 20.33 C ATOM 1681 O ALA A 129 33.482 4.052 55.217 1.00 21.82 O ATOM 1682 CB ALA A 129 35.132 2.963 52.692 1.00 20.77 C ATOM 0 H ALA A 129 33.040 4.376 52.504 1.00 21.92 H new ATOM 0 HA ALA A 129 33.533 1.760 53.162 1.00 20.22 H new ATOM 0 HB1 ALA A 129 35.794 2.375 53.088 1.00 20.77 H new ATOM 0 HB2 ALA A 129 35.088 2.802 51.736 1.00 20.77 H new ATOM 0 HB3 ALA A 129 35.383 3.886 52.853 1.00 20.77 H new ATOM 1688 N SER A 130 34.237 1.931 55.498 1.00 23.73 N ATOM 1689 CA SER A 130 34.405 1.806 56.978 1.00 23.57 C ATOM 1690 C SER A 130 35.718 2.350 57.449 1.00 20.05 C ATOM 1691 O SER A 130 36.698 2.317 56.736 1.00 24.34 O ATOM 1692 CB SER A 130 34.460 0.322 57.501 1.00 26.37 C ATOM 1693 OG SER A 130 33.872 -0.517 56.505 1.00 32.18 O ATOM 0 H SER A 130 34.468 1.205 55.098 1.00 23.73 H new ATOM 0 HA SER A 130 33.631 2.286 57.311 1.00 23.57 H new ATOM 0 HB2 SER A 130 35.377 0.056 57.671 1.00 26.37 H new ATOM 0 HB3 SER A 130 33.981 0.240 58.340 1.00 26.37 H new ATOM 0 HG SER A 130 33.892 -1.316 56.764 1.00 32.18 H new ATOM 1699 N ALA A 132 35.697 2.806 58.662 1.00 18.26 N ATOM 1700 CA ALA A 132 36.922 3.358 59.269 1.00 17.08 C ATOM 1701 C ALA A 132 37.875 2.177 59.236 1.00 17.26 C ATOM 1702 O ALA A 132 37.429 1.062 59.423 1.00 15.65 O ATOM 1703 CB ALA A 132 36.678 3.779 60.764 1.00 16.10 C ATOM 0 H ALA A 132 35.002 2.817 59.169 1.00 18.26 H new ATOM 0 HA ALA A 132 37.242 4.148 58.807 1.00 17.08 H new ATOM 0 HB1 ALA A 132 37.498 4.138 61.137 1.00 16.10 H new ATOM 0 HB2 ALA A 132 35.984 4.455 60.801 1.00 16.10 H new ATOM 0 HB3 ALA A 132 36.401 3.004 61.278 1.00 16.10 H new ATOM 1709 N GLY A 133 39.131 2.401 59.005 1.00 15.39 N ATOM 1710 CA GLY A 133 40.088 1.256 58.982 1.00 17.86 C ATOM 1711 C GLY A 133 40.496 0.942 57.594 1.00 18.38 C ATOM 1712 O GLY A 133 41.629 0.562 57.375 1.00 24.75 O ATOM 0 H GLY A 133 39.477 3.175 58.859 1.00 15.39 H new ATOM 0 HA2 GLY A 133 40.871 1.472 59.513 1.00 17.86 H new ATOM 0 HA3 GLY A 133 39.677 0.477 59.387 1.00 17.86 H new ATOM 1716 N THR A 134 39.571 1.089 56.697 1.00 19.38 N ATOM 1717 CA THR A 134 39.896 0.795 55.273 1.00 19.56 C ATOM 1718 C THR A 134 41.112 1.631 54.798 1.00 20.17 C ATOM 1719 O THR A 134 41.174 2.820 55.036 1.00 18.78 O ATOM 1720 CB THR A 134 38.649 1.109 54.462 1.00 21.30 C ATOM 1721 OG1 THR A 134 37.642 0.263 55.028 1.00 20.55 O ATOM 1722 CG2 THR A 134 38.784 0.610 52.998 1.00 20.47 C ATOM 0 H THR A 134 38.765 1.347 56.850 1.00 19.38 H new ATOM 0 HA THR A 134 40.146 -0.135 55.159 1.00 19.56 H new ATOM 0 HB THR A 134 38.475 2.063 54.474 1.00 21.30 H new ATOM 0 HG1 THR A 134 37.206 0.692 55.604 1.00 20.55 H new ATOM 0 HG21 THR A 134 37.975 0.824 52.507 1.00 20.47 H new ATOM 0 HG22 THR A 134 39.542 1.044 52.577 1.00 20.47 H new ATOM 0 HG23 THR A 134 38.919 -0.351 52.994 1.00 20.47 H new ATOM 1730 N GLN A 135 42.018 0.951 54.147 1.00 21.60 N ATOM 1731 CA GLN A 135 43.267 1.561 53.601 1.00 24.41 C ATOM 1732 C GLN A 135 42.907 2.086 52.211 1.00 22.87 C ATOM 1733 O GLN A 135 42.278 1.373 51.443 1.00 25.81 O ATOM 1734 CB GLN A 135 44.391 0.535 53.375 1.00 25.20 C ATOM 1735 CG GLN A 135 44.981 0.012 54.671 0.46 25.99 C ATOM 1736 CD GLN A 135 45.750 1.152 55.346 0.46 27.29 C ATOM 1737 OE1 GLN A 135 46.322 2.009 54.704 0.46 28.00 O ATOM 1738 NE2 GLN A 135 45.806 1.216 56.638 0.46 29.85 N ATOM 0 H GLN A 135 41.951 0.108 53.992 1.00 21.60 H new ATOM 0 HA GLN A 135 43.579 2.229 54.231 1.00 24.41 H new ATOM 0 HB2 GLN A 135 44.044 -0.210 52.859 1.00 25.20 H new ATOM 0 HB3 GLN A 135 45.094 0.943 52.846 1.00 25.20 H new ATOM 0 HG2 GLN A 135 44.278 -0.313 55.255 0.46 25.99 H new ATOM 0 HG3 GLN A 135 45.572 -0.736 54.495 0.46 25.99 H new ATOM 0 HE21 GLN A 135 45.409 0.621 57.116 0.46 29.85 H new ATOM 0 HE22 GLN A 135 46.240 1.854 57.019 0.46 29.85 H new ATOM 1747 N CYS A 136 43.343 3.272 51.930 1.00 19.35 N ATOM 1748 CA CYS A 136 43.060 3.905 50.621 1.00 16.93 C ATOM 1749 C CYS A 136 44.348 4.397 49.992 1.00 16.93 C ATOM 1750 O CYS A 136 45.390 4.417 50.623 1.00 17.94 O ATOM 1751 CB CYS A 136 42.128 5.076 50.877 1.00 18.33 C ATOM 1752 SG CYS A 136 40.602 4.751 51.795 1.00 12.41 S ATOM 0 H CYS A 136 43.810 3.754 52.467 1.00 19.35 H new ATOM 0 HA CYS A 136 42.653 3.268 50.014 1.00 16.93 H new ATOM 0 HB2 CYS A 136 42.627 5.755 51.358 1.00 18.33 H new ATOM 0 HB3 CYS A 136 41.885 5.457 50.019 1.00 18.33 H new ATOM 1757 N LEU A 137 44.257 4.801 48.768 1.00 15.12 N ATOM 1758 CA LEU A 137 45.448 5.315 48.066 1.00 15.41 C ATOM 1759 C LEU A 137 45.035 6.738 47.686 1.00 12.87 C ATOM 1760 O LEU A 137 43.971 6.950 47.122 1.00 9.94 O ATOM 1761 CB LEU A 137 45.740 4.497 46.813 1.00 12.13 C ATOM 1762 CG LEU A 137 46.964 5.118 45.998 1.00 16.50 C ATOM 1763 CD1 LEU A 137 48.285 5.026 46.789 1.00 16.72 C ATOM 1764 CD2 LEU A 137 47.132 4.369 44.669 1.00 18.35 C ATOM 0 H LEU A 137 43.533 4.798 48.304 1.00 15.12 H new ATOM 0 HA LEU A 137 46.253 5.274 48.606 1.00 15.41 H new ATOM 0 HB2 LEU A 137 45.943 3.581 47.060 1.00 12.13 H new ATOM 0 HB3 LEU A 137 44.951 4.470 46.249 1.00 12.13 H new ATOM 0 HG LEU A 137 46.765 6.054 45.841 1.00 16.50 H new ATOM 0 HD11 LEU A 137 49.004 5.412 46.264 1.00 16.72 H new ATOM 0 HD12 LEU A 137 48.197 5.513 47.624 1.00 16.72 H new ATOM 0 HD13 LEU A 137 48.486 4.096 46.977 1.00 16.72 H new ATOM 0 HD21 LEU A 137 47.876 4.748 44.176 1.00 18.35 H new ATOM 0 HD22 LEU A 137 47.306 3.431 44.846 1.00 18.35 H new ATOM 0 HD23 LEU A 137 46.320 4.454 44.145 1.00 18.35 H new ATOM 1776 N ILE A 138 45.895 7.641 48.020 1.00 13.45 N ATOM 1777 CA ILE A 138 45.697 9.087 47.742 1.00 15.61 C ATOM 1778 C ILE A 138 46.898 9.495 46.865 1.00 14.85 C ATOM 1779 O ILE A 138 48.021 9.084 47.156 1.00 13.78 O ATOM 1780 CB ILE A 138 45.713 9.827 49.068 1.00 15.68 C ATOM 1781 CG1 ILE A 138 44.753 9.105 50.078 1.00 15.88 C ATOM 1782 CG2 ILE A 138 45.230 11.276 48.794 1.00 17.44 C ATOM 1783 CD1 ILE A 138 44.904 9.705 51.484 1.00 12.40 C ATOM 0 H ILE A 138 46.634 7.463 48.423 1.00 13.45 H new ATOM 0 HA ILE A 138 44.860 9.288 47.296 1.00 15.61 H new ATOM 0 HB ILE A 138 46.602 9.840 49.455 1.00 15.68 H new ATOM 0 HG12 ILE A 138 43.834 9.193 49.779 1.00 15.88 H new ATOM 0 HG13 ILE A 138 44.954 8.156 50.102 1.00 15.88 H new ATOM 0 HG21 ILE A 138 45.228 11.779 49.623 1.00 17.44 H new ATOM 0 HG22 ILE A 138 45.827 11.702 48.160 1.00 17.44 H new ATOM 0 HG23 ILE A 138 44.332 11.254 48.427 1.00 17.44 H new ATOM 0 HD11 ILE A 138 44.305 9.249 52.096 1.00 12.40 H new ATOM 0 HD12 ILE A 138 45.819 9.596 51.786 1.00 12.40 H new ATOM 0 HD13 ILE A 138 44.683 10.649 51.459 1.00 12.40 H new ATOM 1795 N SER A 139 46.644 10.277 45.839 1.00 16.32 N ATOM 1796 CA SER A 139 47.751 10.708 44.943 1.00 15.13 C ATOM 1797 C SER A 139 47.632 12.149 44.433 1.00 15.15 C ATOM 1798 O SER A 139 46.553 12.740 44.450 1.00 13.44 O ATOM 1799 CB SER A 139 47.778 9.692 43.784 1.00 11.62 C ATOM 1800 OG SER A 139 46.446 9.637 43.253 1.00 13.40 O ATOM 0 H SER A 139 45.865 10.575 45.629 1.00 16.32 H new ATOM 0 HA SER A 139 48.583 10.717 45.442 1.00 15.13 H new ATOM 0 HB2 SER A 139 48.410 9.965 43.101 1.00 11.62 H new ATOM 0 HB3 SER A 139 48.060 8.819 44.098 1.00 11.62 H new ATOM 0 HG SER A 139 46.347 10.244 42.681 1.00 13.40 H new ATOM 1806 N GLY A 140 48.743 12.680 43.987 1.00 10.65 N ATOM 1807 CA GLY A 140 48.757 14.079 43.448 1.00 11.91 C ATOM 1808 C GLY A 140 50.159 14.633 43.319 1.00 11.99 C ATOM 1809 O GLY A 140 51.105 14.021 43.771 1.00 10.38 O ATOM 0 H GLY A 140 49.504 12.279 43.974 1.00 10.65 H new ATOM 0 HA2 GLY A 140 48.325 14.093 42.579 1.00 11.91 H new ATOM 0 HA3 GLY A 140 48.237 14.653 44.032 1.00 11.91 H new ATOM 1813 N TRP A 141 50.218 15.792 42.708 1.00 13.70 N ATOM 1814 CA TRP A 141 51.481 16.580 42.432 1.00 13.91 C ATOM 1815 C TRP A 141 51.536 17.811 43.355 1.00 13.96 C ATOM 1816 O TRP A 141 52.062 18.858 43.031 1.00 14.53 O ATOM 1817 CB TRP A 141 51.487 17.083 40.948 1.00 12.41 C ATOM 1818 CG TRP A 141 51.647 16.001 39.886 1.00 10.05 C ATOM 1819 CD1 TRP A 141 52.839 15.538 39.447 1.00 10.53 C ATOM 1820 CD2 TRP A 141 50.641 15.367 39.222 1.00 11.71 C ATOM 1821 NE1 TRP A 141 52.495 14.639 38.534 1.00 10.86 N ATOM 1822 CE2 TRP A 141 51.206 14.456 38.321 1.00 11.96 C ATOM 1823 CE3 TRP A 141 49.236 15.477 39.294 1.00 12.79 C ATOM 1824 CZ2 TRP A 141 50.397 13.667 37.510 1.00 14.20 C ATOM 1825 CZ3 TRP A 141 48.424 14.682 38.482 1.00 13.97 C ATOM 1826 CH2 TRP A 141 49.001 13.773 37.586 1.00 16.29 C ATOM 0 H TRP A 141 49.513 16.188 42.416 1.00 13.70 H new ATOM 0 HA TRP A 141 52.245 16.003 42.591 1.00 13.91 H new ATOM 0 HB2 TRP A 141 50.658 17.557 40.781 1.00 12.41 H new ATOM 0 HB3 TRP A 141 52.207 17.725 40.844 1.00 12.41 H new ATOM 0 HD1 TRP A 141 53.692 15.789 39.719 1.00 10.53 H new ATOM 0 HE1 TRP A 141 53.088 14.194 38.099 1.00 10.86 H new ATOM 0 HE3 TRP A 141 48.849 16.082 39.885 1.00 12.79 H new ATOM 0 HZ2 TRP A 141 50.784 13.066 36.915 1.00 14.20 H new ATOM 0 HZ3 TRP A 141 47.499 14.756 38.536 1.00 13.97 H new ATOM 0 HH2 TRP A 141 48.461 13.243 37.045 1.00 16.29 H new ATOM 1837 N GLY A 142 50.987 17.622 44.519 1.00 16.61 N ATOM 1838 CA GLY A 142 50.956 18.731 45.535 1.00 18.16 C ATOM 1839 C GLY A 142 52.244 18.815 46.366 1.00 19.16 C ATOM 1840 O GLY A 142 53.080 17.934 46.241 1.00 18.08 O ATOM 0 H GLY A 142 50.623 16.886 44.773 1.00 16.61 H new ATOM 0 HA2 GLY A 142 50.814 19.576 45.081 1.00 18.16 H new ATOM 0 HA3 GLY A 142 50.201 18.598 46.129 1.00 18.16 H new ATOM 1844 N ASN A 143 52.328 19.858 47.161 1.00 20.88 N ATOM 1845 CA ASN A 143 53.508 20.109 48.038 1.00 20.96 C ATOM 1846 C ASN A 143 53.912 18.837 48.794 1.00 23.25 C ATOM 1847 O ASN A 143 53.034 18.058 49.186 1.00 18.87 O ATOM 1848 CB ASN A 143 53.137 21.236 49.011 1.00 23.49 C ATOM 1849 CG ASN A 143 54.365 21.729 49.805 1.00 27.35 C ATOM 1850 OD1 ASN A 143 55.513 21.503 49.464 1.00 26.11 O ATOM 1851 ND2 ASN A 143 54.187 22.424 50.884 1.00 30.68 N ATOM 0 H ASN A 143 51.713 20.456 47.225 1.00 20.88 H new ATOM 0 HA ASN A 143 54.273 20.371 47.502 1.00 20.96 H new ATOM 0 HB2 ASN A 143 52.751 21.977 48.517 1.00 23.49 H new ATOM 0 HB3 ASN A 143 52.457 20.921 49.627 1.00 23.49 H new ATOM 0 HD21 ASN A 143 54.866 22.707 51.330 1.00 30.68 H new ATOM 0 HD22 ASN A 143 53.390 22.602 51.154 1.00 30.68 H new ATOM 1858 N THR A 144 55.204 18.667 48.978 1.00 23.60 N ATOM 1859 CA THR A 144 55.730 17.460 49.696 1.00 25.64 C ATOM 1860 C THR A 144 56.413 17.741 51.005 1.00 25.98 C ATOM 1861 O THR A 144 56.928 16.809 51.606 1.00 26.29 O ATOM 1862 CB THR A 144 56.741 16.702 48.763 1.00 26.11 C ATOM 1863 OG1 THR A 144 57.721 17.665 48.367 1.00 26.60 O ATOM 1864 CG2 THR A 144 56.078 16.228 47.453 1.00 25.23 C ATOM 0 H THR A 144 55.808 19.217 48.708 1.00 23.60 H new ATOM 0 HA THR A 144 54.948 16.927 49.907 1.00 25.64 H new ATOM 0 HB THR A 144 57.091 15.936 49.243 1.00 26.11 H new ATOM 0 HG1 THR A 144 58.286 17.299 47.864 1.00 26.60 H new ATOM 0 HG21 THR A 144 56.733 15.766 46.907 1.00 25.23 H new ATOM 0 HG22 THR A 144 55.347 15.624 47.660 1.00 25.23 H new ATOM 0 HG23 THR A 144 55.736 16.995 46.967 1.00 25.23 H new ATOM 1872 N LYS A 145 56.407 18.974 51.422 1.00 28.29 N ATOM 1873 CA LYS A 145 57.069 19.339 52.709 1.00 30.64 C ATOM 1874 C LYS A 145 56.031 19.849 53.698 1.00 30.65 C ATOM 1875 O LYS A 145 55.188 20.616 53.300 1.00 32.63 O ATOM 1876 CB LYS A 145 58.122 20.417 52.376 1.00 31.45 C ATOM 1877 CG LYS A 145 59.222 19.828 51.449 1.00 31.19 C ATOM 1878 CD LYS A 145 60.198 18.911 52.229 0.32 32.53 C ATOM 1879 CE LYS A 145 61.106 18.137 51.247 0.32 32.60 C ATOM 1880 NZ LYS A 145 60.350 16.997 50.655 0.32 32.16 N ATOM 0 H LYS A 145 56.039 19.629 51.004 1.00 28.29 H new ATOM 0 HA LYS A 145 57.498 18.575 53.124 1.00 30.64 H new ATOM 0 HB2 LYS A 145 57.695 21.172 51.942 1.00 31.45 H new ATOM 0 HB3 LYS A 145 58.523 20.750 53.194 1.00 31.45 H new ATOM 0 HG2 LYS A 145 58.806 19.323 50.733 1.00 31.19 H new ATOM 0 HG3 LYS A 145 59.718 20.551 51.035 1.00 31.19 H new ATOM 0 HD2 LYS A 145 60.741 19.444 52.831 0.32 32.53 H new ATOM 0 HD3 LYS A 145 59.697 18.287 52.777 0.32 32.53 H new ATOM 0 HE2 LYS A 145 61.417 18.730 50.545 0.32 32.60 H new ATOM 0 HE3 LYS A 145 61.893 17.809 51.710 0.32 32.60 H new ATOM 0 HZ1 LYS A 145 60.911 16.329 50.477 0.32 32.16 H new ATOM 0 HZ2 LYS A 145 59.732 16.719 51.232 0.32 32.16 H new ATOM 0 HZ3 LYS A 145 59.955 17.261 49.902 0.32 32.16 H new ATOM 1894 N SER A 146 56.074 19.457 54.934 0.62 33.18 N ATOM 1895 CA SER A 146 55.046 19.981 55.884 0.62 35.03 C ATOM 1896 C SER A 146 55.467 21.430 56.136 0.73 35.94 C ATOM 1897 O SER A 146 54.695 22.359 56.011 0.73 38.39 O ATOM 1898 CB SER A 146 55.077 19.192 57.228 0.62 34.96 C ATOM 1899 OG SER A 146 56.108 18.216 57.052 0.62 38.19 O ATOM 0 H SER A 146 56.650 18.912 55.267 0.62 33.18 H new ATOM 0 HA SER A 146 54.148 19.898 55.527 0.62 35.03 H new ATOM 0 HB2 SER A 146 55.270 19.778 57.976 0.62 34.96 H new ATOM 0 HB3 SER A 146 54.222 18.772 57.410 0.62 34.96 H new ATOM 0 HG SER A 146 56.855 18.565 57.212 0.62 38.19 H new ATOM 1905 N SER A 147 56.704 21.554 56.481 0.18 36.12 N ATOM 1906 CA SER A 147 57.288 22.881 56.770 1.00 34.94 C ATOM 1907 C SER A 147 58.149 23.214 55.567 0.18 36.34 C ATOM 1908 O SER A 147 59.285 22.787 55.500 0.18 36.97 O ATOM 1909 CB SER A 147 58.120 22.748 58.045 0.18 34.71 C ATOM 1910 OG SER A 147 57.253 22.031 58.924 0.18 33.79 O ATOM 0 H SER A 147 57.251 20.896 56.563 0.18 36.12 H new ATOM 0 HA SER A 147 56.632 23.581 56.911 1.00 34.94 H new ATOM 0 HB2 SER A 147 58.947 22.267 57.885 0.18 34.71 H new ATOM 0 HB3 SER A 147 58.362 23.615 58.408 0.18 34.71 H new ATOM 0 HG SER A 147 57.638 21.911 59.661 0.18 33.79 H new ATOM 1916 N GLY A 148 57.632 23.940 54.628 0.44 34.99 N ATOM 1917 CA GLY A 148 58.471 24.277 53.439 0.44 34.80 C ATOM 1918 C GLY A 148 57.644 24.162 52.182 0.44 33.46 C ATOM 1919 O GLY A 148 56.441 23.967 52.225 0.44 35.52 O ATOM 0 H GLY A 148 56.832 24.255 54.623 0.44 34.99 H new ATOM 0 HA2 GLY A 148 58.821 25.177 53.525 0.44 34.80 H new ATOM 0 HA3 GLY A 148 59.233 23.679 53.391 0.44 34.80 H new ATOM 1923 N THR A 149 58.291 24.306 51.077 0.62 31.13 N ATOM 1924 CA THR A 149 57.571 24.212 49.790 0.62 32.63 C ATOM 1925 C THR A 149 58.456 23.416 48.835 0.62 31.29 C ATOM 1926 O THR A 149 59.589 23.798 48.620 0.62 31.28 O ATOM 1927 CB THR A 149 57.332 25.667 49.368 0.62 32.62 C ATOM 1928 OG1 THR A 149 56.532 26.226 50.410 0.62 33.58 O ATOM 1929 CG2 THR A 149 56.430 25.807 48.165 0.62 33.78 C ATOM 0 H THR A 149 59.135 24.458 51.016 0.62 31.13 H new ATOM 0 HA THR A 149 56.717 23.752 49.818 0.62 32.63 H new ATOM 0 HB THR A 149 58.197 26.068 49.188 0.62 32.62 H new ATOM 0 HG1 THR A 149 56.367 27.031 50.236 0.62 33.58 H new ATOM 0 HG21 THR A 149 56.320 26.747 47.951 0.62 33.78 H new ATOM 0 HG22 THR A 149 56.826 25.347 47.408 0.62 33.78 H new ATOM 0 HG23 THR A 149 55.564 25.417 48.362 0.62 33.78 H new ATOM 1937 N SER A 150 57.965 22.346 48.296 1.00 31.63 N ATOM 1938 CA SER A 150 58.765 21.532 47.354 1.00 30.61 C ATOM 1939 C SER A 150 57.633 20.922 46.565 1.00 28.20 C ATOM 1940 O SER A 150 56.784 20.239 47.109 1.00 25.41 O ATOM 1941 CB SER A 150 59.551 20.453 48.116 1.00 33.25 C ATOM 1942 OG SER A 150 60.711 20.109 47.363 1.00 36.50 O ATOM 0 H SER A 150 57.172 22.049 48.444 1.00 31.63 H new ATOM 0 HA SER A 150 59.431 22.007 46.833 1.00 30.61 H new ATOM 0 HB2 SER A 150 59.805 20.780 48.993 1.00 33.25 H new ATOM 0 HB3 SER A 150 58.997 19.669 48.255 1.00 33.25 H new ATOM 0 HG SER A 150 61.147 19.520 47.774 1.00 36.50 H new ATOM 1948 N TYR A 151 57.648 21.197 45.316 1.00 25.46 N ATOM 1949 CA TYR A 151 56.583 20.644 44.468 1.00 26.23 C ATOM 1950 C TYR A 151 57.257 19.637 43.539 1.00 24.32 C ATOM 1951 O TYR A 151 58.203 20.015 42.861 1.00 21.43 O ATOM 1952 CB TYR A 151 55.962 21.779 43.697 1.00 26.06 C ATOM 1953 CG TYR A 151 54.880 22.474 44.556 1.00 26.60 C ATOM 1954 CD1 TYR A 151 53.566 21.999 44.527 1.00 29.31 C ATOM 1955 CD2 TYR A 151 55.163 23.553 45.343 1.00 27.25 C ATOM 1956 CE1 TYR A 151 52.565 22.595 45.270 1.00 27.53 C ATOM 1957 CE2 TYR A 151 54.157 24.147 46.085 1.00 28.84 C ATOM 1958 CZ TYR A 151 52.854 23.680 46.057 1.00 30.12 C ATOM 1959 OH TYR A 151 51.866 24.291 46.802 1.00 29.89 O ATOM 0 H TYR A 151 58.233 21.684 44.917 1.00 25.46 H new ATOM 0 HA TYR A 151 55.881 20.206 44.974 1.00 26.23 H new ATOM 0 HB2 TYR A 151 56.645 22.419 43.444 1.00 26.06 H new ATOM 0 HB3 TYR A 151 55.568 21.445 42.876 1.00 26.06 H new ATOM 0 HD1 TYR A 151 53.360 21.264 43.995 1.00 29.31 H new ATOM 0 HD2 TYR A 151 56.030 23.888 45.380 1.00 27.25 H new ATOM 0 HE1 TYR A 151 51.698 22.261 45.236 1.00 27.53 H new ATOM 0 HE2 TYR A 151 54.362 24.881 46.618 1.00 28.84 H new ATOM 0 HH TYR A 151 52.195 24.935 47.229 1.00 29.89 H new ATOM 1969 N PRO A 152 56.761 18.415 43.522 1.00 22.76 N ATOM 1970 CA PRO A 152 57.294 17.341 42.659 1.00 24.36 C ATOM 1971 C PRO A 152 56.775 17.451 41.219 1.00 21.61 C ATOM 1972 O PRO A 152 55.750 18.062 40.976 1.00 17.54 O ATOM 1973 CB PRO A 152 56.832 16.044 43.352 1.00 23.72 C ATOM 1974 CG PRO A 152 55.410 16.454 43.881 1.00 22.64 C ATOM 1975 CD PRO A 152 55.618 17.923 44.365 1.00 22.65 C ATOM 0 HA PRO A 152 58.259 17.382 42.567 1.00 24.36 H new ATOM 0 HB2 PRO A 152 56.790 15.297 42.735 1.00 23.72 H new ATOM 0 HB3 PRO A 152 57.427 15.784 44.072 1.00 23.72 H new ATOM 0 HG2 PRO A 152 54.739 16.399 43.183 1.00 22.64 H new ATOM 0 HG3 PRO A 152 55.117 15.877 44.603 1.00 22.64 H new ATOM 0 HD2 PRO A 152 54.820 18.459 44.232 1.00 22.65 H new ATOM 0 HD3 PRO A 152 55.830 17.960 45.311 1.00 22.65 H new ATOM 1983 N ASP A 153 57.496 16.837 40.330 1.00 21.54 N ATOM 1984 CA ASP A 153 57.102 16.854 38.909 1.00 23.05 C ATOM 1985 C ASP A 153 56.452 15.545 38.595 1.00 19.11 C ATOM 1986 O ASP A 153 55.715 15.522 37.630 1.00 17.17 O ATOM 1987 CB ASP A 153 58.321 17.058 37.988 1.00 26.23 C ATOM 1988 CG ASP A 153 58.774 18.515 38.179 1.00 31.20 C ATOM 1989 OD1 ASP A 153 57.918 19.379 38.062 1.00 35.17 O ATOM 1990 OD2 ASP A 153 59.957 18.692 38.437 1.00 40.48 O ATOM 0 H ASP A 153 58.217 16.401 40.502 1.00 21.54 H new ATOM 0 HA ASP A 153 56.492 17.593 38.756 1.00 23.05 H new ATOM 0 HB2 ASP A 153 59.034 16.442 38.218 1.00 26.23 H new ATOM 0 HB3 ASP A 153 58.086 16.888 37.062 1.00 26.23 H new ATOM 1995 N VAL A 154 56.716 14.523 39.382 1.00 15.43 N ATOM 1996 CA VAL A 154 56.078 13.186 39.107 1.00 16.86 C ATOM 1997 C VAL A 154 55.047 12.904 40.227 1.00 10.85 C ATOM 1998 O VAL A 154 55.118 13.411 41.332 1.00 13.85 O ATOM 1999 CB VAL A 154 57.179 12.053 39.052 1.00 14.67 C ATOM 2000 CG1 VAL A 154 58.212 12.308 37.857 1.00 14.67 C ATOM 2001 CG2 VAL A 154 57.953 11.986 40.388 1.00 16.27 C ATOM 0 H VAL A 154 57.239 14.548 40.064 1.00 15.43 H new ATOM 0 HA VAL A 154 55.630 13.197 38.247 1.00 16.86 H new ATOM 0 HB VAL A 154 56.724 11.210 38.898 1.00 14.67 H new ATOM 0 HG11 VAL A 154 58.875 11.600 37.846 1.00 14.67 H new ATOM 0 HG12 VAL A 154 57.735 12.317 37.013 1.00 14.67 H new ATOM 0 HG13 VAL A 154 58.653 13.162 37.987 1.00 14.67 H new ATOM 0 HG21 VAL A 154 58.624 11.287 40.339 1.00 16.27 H new ATOM 0 HG22 VAL A 154 58.386 12.838 40.555 1.00 16.27 H new ATOM 0 HG23 VAL A 154 57.336 11.791 41.110 1.00 16.27 H new ATOM 2011 N LEU A 155 54.132 12.061 39.908 1.00 13.41 N ATOM 2012 CA LEU A 155 53.040 11.679 40.830 1.00 12.70 C ATOM 2013 C LEU A 155 53.567 10.969 42.081 1.00 14.86 C ATOM 2014 O LEU A 155 54.402 10.065 42.027 1.00 13.62 O ATOM 2015 CB LEU A 155 52.084 10.743 40.087 1.00 16.13 C ATOM 2016 CG LEU A 155 50.584 10.623 40.567 1.00 20.03 C ATOM 2017 CD1 LEU A 155 49.981 12.016 40.760 1.00 21.13 C ATOM 2018 CD2 LEU A 155 49.681 9.672 39.818 1.00 17.02 C ATOM 0 H LEU A 155 54.096 11.668 39.144 1.00 13.41 H new ATOM 0 HA LEU A 155 52.588 12.487 41.119 1.00 12.70 H new ATOM 0 HB2 LEU A 155 52.071 11.019 39.157 1.00 16.13 H new ATOM 0 HB3 LEU A 155 52.470 9.853 40.113 1.00 16.13 H new ATOM 0 HG LEU A 155 50.638 10.170 41.423 1.00 20.03 H new ATOM 0 HD11 LEU A 155 49.061 11.932 41.055 1.00 21.13 H new ATOM 0 HD12 LEU A 155 50.491 12.500 41.428 1.00 21.13 H new ATOM 0 HD13 LEU A 155 50.008 12.500 39.920 1.00 21.13 H new ATOM 0 HD21 LEU A 155 48.794 9.692 40.209 1.00 17.02 H new ATOM 0 HD22 LEU A 155 49.629 9.940 38.887 1.00 17.02 H new ATOM 0 HD23 LEU A 155 50.039 8.772 39.876 1.00 17.02 H new ATOM 2030 N LYS A 156 52.986 11.391 43.131 1.00 12.94 N ATOM 2031 CA LYS A 156 53.309 10.876 44.455 1.00 12.53 C ATOM 2032 C LYS A 156 52.018 10.255 44.972 1.00 14.85 C ATOM 2033 O LYS A 156 50.939 10.777 44.737 1.00 11.23 O ATOM 2034 CB LYS A 156 53.732 12.013 45.344 1.00 15.90 C ATOM 2035 CG LYS A 156 55.008 12.697 44.801 1.00 21.46 C ATOM 2036 CD LYS A 156 56.247 11.735 44.891 1.00 25.30 C ATOM 2037 CE LYS A 156 57.559 12.515 44.592 1.00 25.00 C ATOM 2038 NZ LYS A 156 58.726 11.737 45.099 0.54 25.47 N ATOM 0 H LYS A 156 52.376 11.997 43.128 1.00 12.94 H new ATOM 0 HA LYS A 156 54.033 10.231 44.435 1.00 12.53 H new ATOM 0 HB2 LYS A 156 53.015 12.663 45.407 1.00 15.90 H new ATOM 0 HB3 LYS A 156 53.895 11.683 46.241 1.00 15.90 H new ATOM 0 HG2 LYS A 156 54.868 12.964 43.879 1.00 21.46 H new ATOM 0 HG3 LYS A 156 55.185 13.506 45.307 1.00 21.46 H new ATOM 0 HD2 LYS A 156 56.293 11.339 45.775 1.00 25.30 H new ATOM 0 HD3 LYS A 156 56.145 11.006 44.259 1.00 25.30 H new ATOM 0 HE2 LYS A 156 57.648 12.665 43.638 1.00 25.00 H new ATOM 0 HE3 LYS A 156 57.531 13.388 45.015 1.00 25.00 H new ATOM 0 HZ1 LYS A 156 59.473 12.202 44.967 0.54 25.47 H new ATOM 0 HZ2 LYS A 156 58.624 11.581 45.969 0.54 25.47 H new ATOM 0 HZ3 LYS A 156 58.779 10.963 44.663 0.54 25.47 H new ATOM 2052 N CYS A 157 52.245 9.177 45.668 1.00 18.44 N ATOM 2053 CA CYS A 157 51.227 8.298 46.313 1.00 17.88 C ATOM 2054 C CYS A 157 51.365 8.157 47.800 1.00 17.19 C ATOM 2055 O CYS A 157 52.452 8.290 48.348 1.00 18.55 O ATOM 2056 CB CYS A 157 51.342 6.930 45.713 1.00 17.54 C ATOM 2057 SG CYS A 157 50.671 6.711 44.061 1.00 16.92 S ATOM 0 H CYS A 157 53.046 8.894 45.803 1.00 18.44 H new ATOM 0 HA CYS A 157 50.368 8.720 46.153 1.00 17.88 H new ATOM 0 HB2 CYS A 157 52.281 6.687 45.693 1.00 17.54 H new ATOM 0 HB3 CYS A 157 50.899 6.302 46.305 1.00 17.54 H new ATOM 2062 N LEU A 158 50.241 7.880 48.400 1.00 14.29 N ATOM 2063 CA LEU A 158 50.195 7.699 49.858 1.00 15.56 C ATOM 2064 C LEU A 158 49.066 6.730 50.240 1.00 19.07 C ATOM 2065 O LEU A 158 47.937 6.891 49.802 1.00 18.83 O ATOM 2066 CB LEU A 158 49.964 9.047 50.468 1.00 15.13 C ATOM 2067 CG LEU A 158 49.671 8.958 51.996 1.00 18.52 C ATOM 2068 CD1 LEU A 158 50.928 8.558 52.802 1.00 20.60 C ATOM 2069 CD2 LEU A 158 49.174 10.332 52.489 1.00 19.98 C ATOM 0 H LEU A 158 49.485 7.789 48.000 1.00 14.29 H new ATOM 0 HA LEU A 158 51.026 7.319 50.183 1.00 15.56 H new ATOM 0 HB2 LEU A 158 50.744 9.605 50.322 1.00 15.13 H new ATOM 0 HB3 LEU A 158 49.219 9.479 50.022 1.00 15.13 H new ATOM 0 HG LEU A 158 48.997 8.274 52.134 1.00 18.52 H new ATOM 0 HD11 LEU A 158 50.707 8.513 53.745 1.00 20.60 H new ATOM 0 HD12 LEU A 158 51.242 7.691 52.502 1.00 20.60 H new ATOM 0 HD13 LEU A 158 51.625 9.219 52.665 1.00 20.60 H new ATOM 0 HD21 LEU A 158 48.989 10.287 53.440 1.00 19.98 H new ATOM 0 HD22 LEU A 158 49.856 11.001 52.324 1.00 19.98 H new ATOM 0 HD23 LEU A 158 48.364 10.573 52.013 1.00 19.98 H new ATOM 2081 N LYS A 159 49.389 5.764 51.048 1.00 20.33 N ATOM 2082 CA LYS A 159 48.371 4.782 51.497 1.00 20.03 C ATOM 2083 C LYS A 159 48.068 5.268 52.915 1.00 19.63 C ATOM 2084 O LYS A 159 48.977 5.470 53.698 1.00 19.93 O ATOM 2085 CB LYS A 159 48.917 3.367 51.593 1.00 21.05 C ATOM 2086 CG LYS A 159 49.100 2.751 50.184 1.00 22.66 C ATOM 2087 CD LYS A 159 49.743 1.349 50.396 0.34 23.14 C ATOM 2088 CE LYS A 159 49.694 0.518 49.112 0.34 25.15 C ATOM 2089 NZ LYS A 159 50.632 1.060 48.106 0.34 27.42 N ATOM 0 H LYS A 159 50.179 5.636 51.362 1.00 20.33 H new ATOM 0 HA LYS A 159 47.619 4.739 50.886 1.00 20.03 H new ATOM 0 HB2 LYS A 159 49.767 3.375 52.060 1.00 21.05 H new ATOM 0 HB3 LYS A 159 48.312 2.817 52.115 1.00 21.05 H new ATOM 0 HG2 LYS A 159 48.248 2.675 49.727 1.00 22.66 H new ATOM 0 HG3 LYS A 159 49.668 3.312 49.633 1.00 22.66 H new ATOM 0 HD2 LYS A 159 50.664 1.453 50.682 0.34 23.14 H new ATOM 0 HD3 LYS A 159 49.276 0.880 51.106 0.34 23.14 H new ATOM 0 HE2 LYS A 159 49.920 -0.404 49.309 0.34 25.15 H new ATOM 0 HE3 LYS A 159 48.792 0.519 48.754 0.34 25.15 H new ATOM 0 HZ1 LYS A 159 50.416 0.750 47.300 0.34 27.42 H new ATOM 0 HZ2 LYS A 159 50.584 1.949 48.104 0.34 27.42 H new ATOM 0 HZ3 LYS A 159 51.462 0.808 48.307 0.34 27.42 H new ATOM 2103 N ALA A 160 46.820 5.452 53.193 1.00 18.59 N ATOM 2104 CA ALA A 160 46.379 5.929 54.529 1.00 16.82 C ATOM 2105 C ALA A 160 45.016 5.314 54.799 1.00 15.45 C ATOM 2106 O ALA A 160 44.214 5.156 53.903 1.00 13.69 O ATOM 2107 CB ALA A 160 46.251 7.460 54.514 1.00 16.74 C ATOM 0 H ALA A 160 46.179 5.314 52.636 1.00 18.59 H new ATOM 0 HA ALA A 160 47.018 5.676 55.213 1.00 16.82 H new ATOM 0 HB1 ALA A 160 45.963 7.769 55.387 1.00 16.74 H new ATOM 0 HB2 ALA A 160 47.111 7.855 54.299 1.00 16.74 H new ATOM 0 HB3 ALA A 160 45.598 7.724 53.847 1.00 16.74 H new ATOM 2113 N PRO A 161 44.752 4.984 56.019 1.00 18.53 N ATOM 2114 CA PRO A 161 43.425 4.469 56.389 1.00 21.12 C ATOM 2115 C PRO A 161 42.421 5.572 56.770 1.00 19.42 C ATOM 2116 O PRO A 161 42.797 6.674 57.131 1.00 14.81 O ATOM 2117 CB PRO A 161 43.746 3.520 57.548 1.00 22.44 C ATOM 2118 CG PRO A 161 44.853 4.383 58.299 1.00 21.46 C ATOM 2119 CD PRO A 161 45.698 5.027 57.165 1.00 19.97 C ATOM 0 HA PRO A 161 42.974 4.030 55.651 1.00 21.12 H new ATOM 0 HB2 PRO A 161 42.973 3.339 58.106 1.00 22.44 H new ATOM 0 HB3 PRO A 161 44.084 2.663 57.245 1.00 22.44 H new ATOM 0 HG2 PRO A 161 44.448 5.060 58.863 1.00 21.46 H new ATOM 0 HG3 PRO A 161 45.402 3.827 58.874 1.00 21.46 H new ATOM 0 HD2 PRO A 161 45.966 5.934 57.381 1.00 19.97 H new ATOM 0 HD3 PRO A 161 46.509 4.526 56.986 1.00 19.97 H new ATOM 2127 N ILE A 162 41.172 5.207 56.699 1.00 17.43 N ATOM 2128 CA ILE A 162 40.087 6.151 57.047 1.00 15.97 C ATOM 2129 C ILE A 162 40.106 6.131 58.546 1.00 13.30 C ATOM 2130 O ILE A 162 40.292 5.080 59.121 1.00 18.81 O ATOM 2131 CB ILE A 162 38.781 5.604 56.492 1.00 14.63 C ATOM 2132 CG1 ILE A 162 38.876 5.650 54.949 1.00 16.23 C ATOM 2133 CG2 ILE A 162 37.563 6.418 56.994 1.00 17.41 C ATOM 2134 CD1 ILE A 162 37.567 5.189 54.287 1.00 19.24 C ATOM 0 H ILE A 162 40.907 4.426 56.455 1.00 17.43 H new ATOM 0 HA ILE A 162 40.187 7.048 56.692 1.00 15.97 H new ATOM 0 HB ILE A 162 38.648 4.694 56.799 1.00 14.63 H new ATOM 0 HG12 ILE A 162 39.083 6.554 54.664 1.00 16.23 H new ATOM 0 HG13 ILE A 162 39.606 5.085 54.652 1.00 16.23 H new ATOM 0 HG21 ILE A 162 36.749 6.044 56.623 1.00 17.41 H new ATOM 0 HG22 ILE A 162 37.524 6.379 57.962 1.00 17.41 H new ATOM 0 HG23 ILE A 162 37.652 7.342 56.712 1.00 17.41 H new ATOM 0 HD11 ILE A 162 37.660 5.230 53.322 1.00 19.24 H new ATOM 0 HD12 ILE A 162 37.373 4.277 54.554 1.00 19.24 H new ATOM 0 HD13 ILE A 162 36.841 5.769 54.566 1.00 19.24 H new ATOM 2146 N LEU A 163 39.898 7.245 59.157 1.00 16.58 N ATOM 2147 CA LEU A 163 39.904 7.296 60.637 1.00 16.93 C ATOM 2148 C LEU A 163 38.446 7.314 61.121 1.00 16.16 C ATOM 2149 O LEU A 163 37.519 7.555 60.378 1.00 13.22 O ATOM 2150 CB LEU A 163 40.620 8.575 61.103 1.00 19.41 C ATOM 2151 CG LEU A 163 42.066 8.618 60.541 1.00 22.42 C ATOM 2152 CD1 LEU A 163 42.665 9.990 60.919 1.00 24.42 C ATOM 2153 CD2 LEU A 163 42.932 7.483 61.174 1.00 20.56 C ATOM 0 H LEU A 163 39.749 7.997 58.767 1.00 16.58 H new ATOM 0 HA LEU A 163 40.368 6.526 61.000 1.00 16.93 H new ATOM 0 HB2 LEU A 163 40.127 9.356 60.805 1.00 19.41 H new ATOM 0 HB3 LEU A 163 40.642 8.606 62.072 1.00 19.41 H new ATOM 0 HG LEU A 163 42.056 8.491 59.579 1.00 22.42 H new ATOM 0 HD11 LEU A 163 43.572 10.051 60.582 1.00 24.42 H new ATOM 0 HD12 LEU A 163 42.127 10.697 60.529 1.00 24.42 H new ATOM 0 HD13 LEU A 163 42.672 10.085 61.884 1.00 24.42 H new ATOM 0 HD21 LEU A 163 43.832 7.523 60.813 1.00 20.56 H new ATOM 0 HD22 LEU A 163 42.964 7.599 62.136 1.00 20.56 H new ATOM 0 HD23 LEU A 163 42.539 6.621 60.966 1.00 20.56 H new ATOM 2165 N SER A 164 38.258 7.048 62.363 1.00 17.99 N ATOM 2166 CA SER A 164 36.909 7.029 62.959 1.00 19.84 C ATOM 2167 C SER A 164 36.415 8.472 62.958 1.00 16.82 C ATOM 2168 O SER A 164 37.214 9.390 63.093 1.00 16.50 O ATOM 2169 CB SER A 164 37.026 6.471 64.410 1.00 22.43 C ATOM 2170 OG SER A 164 37.927 7.315 65.162 1.00 25.98 O ATOM 0 H SER A 164 38.892 6.868 62.916 1.00 17.99 H new ATOM 0 HA SER A 164 36.288 6.468 62.468 1.00 19.84 H new ATOM 0 HB2 SER A 164 36.153 6.450 64.833 1.00 22.43 H new ATOM 0 HB3 SER A 164 37.355 5.559 64.394 1.00 22.43 H new ATOM 0 HG SER A 164 37.996 7.023 65.947 1.00 25.98 H new ATOM 2176 N ASP A 165 35.142 8.661 62.828 1.00 16.25 N ATOM 2177 CA ASP A 165 34.648 10.056 62.831 1.00 22.31 C ATOM 2178 C ASP A 165 34.947 10.706 64.128 1.00 20.69 C ATOM 2179 O ASP A 165 35.069 11.910 64.161 1.00 21.01 O ATOM 2180 CB ASP A 165 33.131 10.127 62.621 1.00 26.78 C ATOM 2181 CG ASP A 165 32.804 9.834 61.140 1.00 32.12 C ATOM 2182 OD1 ASP A 165 33.364 10.540 60.324 1.00 37.57 O ATOM 2183 OD2 ASP A 165 32.026 8.933 60.869 1.00 38.36 O ATOM 0 H ASP A 165 34.547 8.047 62.739 1.00 16.25 H new ATOM 0 HA ASP A 165 35.098 10.509 62.101 1.00 22.31 H new ATOM 0 HB2 ASP A 165 32.685 9.485 63.194 1.00 26.78 H new ATOM 0 HB3 ASP A 165 32.801 11.005 62.868 1.00 26.78 H new ATOM 2188 N SER A 166 35.069 9.926 65.151 1.00 18.03 N ATOM 2189 CA SER A 166 35.357 10.505 66.485 1.00 20.24 C ATOM 2190 C SER A 166 36.713 11.203 66.586 1.00 21.78 C ATOM 2191 O SER A 166 36.795 12.272 67.156 1.00 18.99 O ATOM 2192 CB SER A 166 35.230 9.343 67.542 1.00 22.08 C ATOM 2193 OG SER A 166 35.617 8.143 66.852 0.17 22.34 O ATOM 0 H SER A 166 34.996 9.069 65.129 1.00 18.03 H new ATOM 0 HA SER A 166 34.714 11.210 66.656 1.00 20.24 H new ATOM 0 HB2 SER A 166 35.803 9.505 68.308 1.00 22.08 H new ATOM 0 HB3 SER A 166 34.322 9.275 67.877 1.00 22.08 H new ATOM 0 HG SER A 166 36.350 8.268 66.462 0.17 22.34 H new ATOM 2199 N SER A 167 37.735 10.588 66.039 1.00 22.73 N ATOM 2200 CA SER A 167 39.077 11.215 66.109 1.00 18.25 C ATOM 2201 C SER A 167 39.102 12.405 65.128 1.00 14.04 C ATOM 2202 O SER A 167 39.843 13.345 65.309 1.00 11.37 O ATOM 2203 CB SER A 167 40.128 10.103 65.780 1.00 22.77 C ATOM 2204 OG SER A 167 39.836 9.646 64.469 1.00 28.89 O ATOM 0 H SER A 167 37.699 9.832 65.631 1.00 22.73 H new ATOM 0 HA SER A 167 39.290 11.570 66.986 1.00 18.25 H new ATOM 0 HB2 SER A 167 41.030 10.456 65.829 1.00 22.77 H new ATOM 0 HB3 SER A 167 40.072 9.376 66.419 1.00 22.77 H new ATOM 0 HG SER A 167 39.311 8.992 64.511 1.00 28.89 H new ATOM 2210 N CYS A 168 38.304 12.344 64.088 1.00 14.96 N ATOM 2211 CA CYS A 168 38.236 13.439 63.068 1.00 14.46 C ATOM 2212 C CYS A 168 37.586 14.696 63.745 1.00 15.47 C ATOM 2213 O CYS A 168 38.093 15.806 63.716 1.00 11.12 O ATOM 2214 CB CYS A 168 37.410 12.843 61.898 1.00 16.40 C ATOM 2215 SG CYS A 168 37.212 13.796 60.386 1.00 16.83 S ATOM 0 H CYS A 168 37.778 11.682 63.929 1.00 14.96 H new ATOM 0 HA CYS A 168 39.094 13.738 62.727 1.00 14.46 H new ATOM 0 HB2 CYS A 168 37.815 11.995 61.657 1.00 16.40 H new ATOM 0 HB3 CYS A 168 36.523 12.647 62.238 1.00 16.40 H new ATOM 2220 N LYS A 169 36.456 14.466 64.361 1.00 16.65 N ATOM 2221 CA LYS A 169 35.704 15.554 65.055 1.00 15.95 C ATOM 2222 C LYS A 169 36.472 16.077 66.245 1.00 15.08 C ATOM 2223 O LYS A 169 36.281 17.232 66.561 1.00 14.77 O ATOM 2224 CB LYS A 169 34.317 15.033 65.516 1.00 13.41 C ATOM 2225 CG LYS A 169 33.420 14.894 64.276 1.00 17.90 C ATOM 2226 CD LYS A 169 32.130 14.118 64.605 1.00 19.70 C ATOM 2227 CE LYS A 169 31.296 13.985 63.314 1.00 24.57 C ATOM 2228 NZ LYS A 169 30.170 13.074 63.594 1.00 28.74 N ATOM 0 H LYS A 169 36.082 13.693 64.405 1.00 16.65 H new ATOM 0 HA LYS A 169 35.584 16.282 64.425 1.00 15.95 H new ATOM 0 HB2 LYS A 169 34.409 14.178 65.965 1.00 13.41 H new ATOM 0 HB3 LYS A 169 33.920 15.647 66.154 1.00 13.41 H new ATOM 0 HG2 LYS A 169 33.193 15.774 63.937 1.00 17.90 H new ATOM 0 HG3 LYS A 169 33.905 14.436 63.572 1.00 17.90 H new ATOM 0 HD2 LYS A 169 32.345 13.241 64.959 1.00 19.70 H new ATOM 0 HD3 LYS A 169 31.622 14.583 65.288 1.00 19.70 H new ATOM 0 HE2 LYS A 169 30.968 14.853 63.030 1.00 24.57 H new ATOM 0 HE3 LYS A 169 31.842 13.638 62.591 1.00 24.57 H new ATOM 0 HZ1 LYS A 169 29.673 12.982 62.861 1.00 28.74 H new ATOM 0 HZ2 LYS A 169 30.485 12.279 63.840 1.00 28.74 H new ATOM 0 HZ3 LYS A 169 29.671 13.411 64.250 1.00 28.74 H new ATOM 2242 N SER A 170 37.276 15.292 66.897 1.00 17.69 N ATOM 2243 CA SER A 170 38.036 15.839 68.071 1.00 17.44 C ATOM 2244 C SER A 170 39.155 16.802 67.566 1.00 18.42 C ATOM 2245 O SER A 170 39.535 17.799 68.164 1.00 11.66 O ATOM 2246 CB ASER A 170 38.635 14.654 68.840 0.00 17.49 C ATOM 2247 CB BSER A 170 38.671 14.670 68.829 0.60 17.91 C ATOM 2248 OG ASER A 170 39.084 13.799 67.796 0.00 18.62 O ATOM 2249 OG BSER A 170 37.550 13.821 68.993 0.60 18.45 O ATOM 0 H SER A 170 37.418 14.464 66.714 1.00 17.69 H new ATOM 0 HA SER A 170 37.452 16.344 68.658 1.00 17.44 H new ATOM 0 HB2ASER A 170 39.363 14.931 69.418 0.00 17.91 H new ATOM 0 HB2BSER A 170 39.382 14.247 68.323 0.60 17.91 H new ATOM 0 HB3ASER A 170 37.976 14.219 69.403 0.00 17.91 H new ATOM 0 HB3BSER A 170 39.051 14.945 69.678 0.60 17.91 H new ATOM 0 HG ASER A 170 39.434 13.111 68.128 0.00 18.45 H new ATOM 0 HG BSER A 170 37.573 13.211 68.416 0.60 18.45 H new ATOM 2258 N ALA A 171 39.646 16.431 66.410 1.00 21.16 N ATOM 2259 CA ALA A 171 40.721 17.226 65.796 1.00 20.45 C ATOM 2260 C ALA A 171 40.142 18.497 65.255 1.00 22.32 C ATOM 2261 O ALA A 171 40.830 19.502 65.295 1.00 20.95 O ATOM 2262 CB ALA A 171 41.370 16.454 64.648 1.00 22.12 C ATOM 0 H ALA A 171 39.391 15.743 65.961 1.00 21.16 H new ATOM 0 HA ALA A 171 41.392 17.417 66.470 1.00 20.45 H new ATOM 0 HB1 ALA A 171 42.075 16.991 64.255 1.00 22.12 H new ATOM 0 HB2 ALA A 171 41.745 15.626 64.986 1.00 22.12 H new ATOM 0 HB3 ALA A 171 40.702 16.254 63.974 1.00 22.12 H new ATOM 2268 N TYR A 172 38.923 18.415 64.766 1.00 20.45 N ATOM 2269 CA TYR A 172 38.277 19.636 64.195 1.00 16.97 C ATOM 2270 C TYR A 172 36.879 19.915 64.780 1.00 19.10 C ATOM 2271 O TYR A 172 35.875 19.787 64.098 1.00 16.29 O ATOM 2272 CB TYR A 172 38.172 19.465 62.636 1.00 17.51 C ATOM 2273 CG TYR A 172 39.545 19.335 61.959 1.00 13.60 C ATOM 2274 CD1 TYR A 172 39.973 18.107 61.537 1.00 11.91 C ATOM 2275 CD2 TYR A 172 40.363 20.444 61.774 1.00 12.61 C ATOM 2276 CE1 TYR A 172 41.198 17.959 60.935 1.00 14.32 C ATOM 2277 CE2 TYR A 172 41.593 20.301 61.171 1.00 11.13 C ATOM 2278 CZ TYR A 172 42.008 19.044 60.748 1.00 10.93 C ATOM 2279 OH TYR A 172 43.210 18.861 60.128 1.00 13.47 O ATOM 0 H TYR A 172 38.446 17.700 64.743 1.00 20.45 H new ATOM 0 HA TYR A 172 38.831 20.397 64.430 1.00 16.97 H new ATOM 0 HB2 TYR A 172 37.641 18.678 62.436 1.00 17.51 H new ATOM 0 HB3 TYR A 172 37.702 20.227 62.262 1.00 17.51 H new ATOM 0 HD1 TYR A 172 39.428 17.363 61.659 1.00 11.91 H new ATOM 0 HD2 TYR A 172 40.079 21.283 62.058 1.00 12.61 H new ATOM 0 HE1 TYR A 172 41.478 17.118 60.654 1.00 14.32 H new ATOM 0 HE2 TYR A 172 42.142 21.041 61.048 1.00 11.13 H new ATOM 0 HH TYR A 172 43.193 18.145 59.689 1.00 13.47 H new ATOM 2289 N PRO A 173 36.793 20.291 66.022 1.00 22.13 N ATOM 2290 CA PRO A 173 35.476 20.492 66.669 1.00 23.31 C ATOM 2291 C PRO A 173 34.583 21.509 65.924 1.00 21.08 C ATOM 2292 O PRO A 173 34.996 22.606 65.584 1.00 19.71 O ATOM 2293 CB PRO A 173 35.847 20.911 68.119 1.00 25.20 C ATOM 2294 CG PRO A 173 37.268 20.286 68.323 1.00 28.52 C ATOM 2295 CD PRO A 173 37.930 20.552 66.956 1.00 27.60 C ATOM 0 HA PRO A 173 34.923 19.695 66.655 1.00 23.31 H new ATOM 0 HB2 PRO A 173 35.863 21.876 68.220 1.00 25.20 H new ATOM 0 HB3 PRO A 173 35.209 20.568 68.765 1.00 25.20 H new ATOM 0 HG2 PRO A 173 37.751 20.710 69.050 1.00 28.52 H new ATOM 0 HG3 PRO A 173 37.223 19.339 68.527 1.00 28.52 H new ATOM 0 HD2 PRO A 173 38.263 21.460 66.882 1.00 27.60 H new ATOM 0 HD3 PRO A 173 38.681 19.960 66.792 1.00 27.60 H new ATOM 2303 N GLY A 174 33.369 21.087 65.708 1.00 20.09 N ATOM 2304 CA GLY A 174 32.324 21.889 65.000 1.00 19.46 C ATOM 2305 C GLY A 174 32.604 22.176 63.539 1.00 15.33 C ATOM 2306 O GLY A 174 31.940 23.004 62.962 1.00 13.97 O ATOM 0 H GLY A 174 33.092 20.314 65.962 1.00 20.09 H new ATOM 0 HA2 GLY A 174 31.478 21.419 65.065 1.00 19.46 H new ATOM 0 HA3 GLY A 174 32.216 22.733 65.465 1.00 19.46 H new ATOM 2310 N GLN A 175 33.555 21.499 62.980 1.00 15.54 N ATOM 2311 CA GLN A 175 33.874 21.755 61.538 1.00 17.11 C ATOM 2312 C GLN A 175 33.578 20.571 60.611 1.00 15.60 C ATOM 2313 O GLN A 175 33.486 20.734 59.405 1.00 14.03 O ATOM 2314 CB GLN A 175 35.379 22.095 61.397 1.00 20.06 C ATOM 2315 CG GLN A 175 35.809 23.379 62.168 1.00 23.64 C ATOM 2316 CD GLN A 175 37.274 23.730 61.811 1.00 24.01 C ATOM 2317 OE1 GLN A 175 38.211 23.073 62.204 1.00 28.85 O ATOM 2318 NE2 GLN A 175 37.540 24.746 61.065 1.00 26.78 N ATOM 0 H GLN A 175 34.034 20.900 63.368 1.00 15.54 H new ATOM 0 HA GLN A 175 33.301 22.489 61.268 1.00 17.11 H new ATOM 0 HB2 GLN A 175 35.903 21.344 61.718 1.00 20.06 H new ATOM 0 HB3 GLN A 175 35.590 22.207 60.457 1.00 20.06 H new ATOM 0 HG2 GLN A 175 35.224 24.118 61.937 1.00 23.64 H new ATOM 0 HG3 GLN A 175 35.724 23.238 63.124 1.00 23.64 H new ATOM 0 HE21 GLN A 175 36.902 25.238 60.765 1.00 26.78 H new ATOM 0 HE22 GLN A 175 38.356 24.932 60.867 1.00 26.78 H new ATOM 2327 N ILE A 176 33.437 19.412 61.173 1.00 15.92 N ATOM 2328 CA ILE A 176 33.173 18.219 60.335 1.00 15.06 C ATOM 2329 C ILE A 176 31.697 17.906 60.145 1.00 16.03 C ATOM 2330 O ILE A 176 31.005 17.790 61.141 1.00 14.99 O ATOM 2331 CB ILE A 176 33.928 17.022 61.027 1.00 15.58 C ATOM 2332 CG1 ILE A 176 35.443 17.393 61.244 1.00 14.11 C ATOM 2333 CG2 ILE A 176 33.826 15.716 60.188 1.00 17.21 C ATOM 2334 CD1 ILE A 176 36.187 17.723 59.896 1.00 13.22 C ATOM 0 H ILE A 176 33.484 19.265 62.019 1.00 15.92 H new ATOM 0 HA ILE A 176 33.494 18.383 59.434 1.00 15.06 H new ATOM 0 HB ILE A 176 33.503 16.863 61.884 1.00 15.58 H new ATOM 0 HG12 ILE A 176 35.503 18.158 61.838 1.00 14.11 H new ATOM 0 HG13 ILE A 176 35.893 16.655 61.685 1.00 14.11 H new ATOM 0 HG21 ILE A 176 34.300 15.002 60.642 1.00 17.21 H new ATOM 0 HG22 ILE A 176 32.894 15.470 60.084 1.00 17.21 H new ATOM 0 HG23 ILE A 176 34.221 15.861 59.314 1.00 17.21 H new ATOM 0 HD11 ILE A 176 37.113 17.944 60.083 1.00 13.22 H new ATOM 0 HD12 ILE A 176 36.151 16.951 59.309 1.00 13.22 H new ATOM 0 HD13 ILE A 176 35.756 18.477 59.464 1.00 13.22 H new ATOM 2346 N THR A 177 31.273 17.790 58.902 1.00 14.83 N ATOM 2347 CA THR A 177 29.852 17.470 58.625 1.00 13.21 C ATOM 2348 C THR A 177 29.806 16.004 58.158 1.00 10.73 C ATOM 2349 O THR A 177 30.790 15.290 58.043 1.00 7.28 O ATOM 2350 CB THR A 177 29.306 18.384 57.519 1.00 10.19 C ATOM 2351 OG1 THR A 177 30.035 18.093 56.325 1.00 10.58 O ATOM 2352 CG2 THR A 177 29.611 19.844 57.866 1.00 11.82 C ATOM 0 H THR A 177 31.767 17.887 58.205 1.00 14.83 H new ATOM 0 HA THR A 177 29.309 17.604 59.418 1.00 13.21 H new ATOM 0 HB THR A 177 28.351 18.246 57.419 1.00 10.19 H new ATOM 0 HG1 THR A 177 29.726 18.548 55.690 1.00 10.58 H new ATOM 0 HG21 THR A 177 29.266 20.422 57.167 1.00 11.82 H new ATOM 0 HG22 THR A 177 29.190 20.071 58.710 1.00 11.82 H new ATOM 0 HG23 THR A 177 30.570 19.965 57.941 1.00 11.82 H new ATOM 2360 N SER A 178 28.626 15.571 57.882 1.00 12.26 N ATOM 2361 CA SER A 178 28.403 14.181 57.419 1.00 16.49 C ATOM 2362 C SER A 178 28.921 13.974 55.969 1.00 16.16 C ATOM 2363 O SER A 178 28.955 12.853 55.479 1.00 13.61 O ATOM 2364 CB SER A 178 26.892 13.949 57.545 1.00 21.00 C ATOM 2365 OG SER A 178 26.337 15.057 56.807 1.00 26.28 O ATOM 0 H SER A 178 27.911 16.045 57.946 1.00 12.26 H new ATOM 0 HA SER A 178 28.897 13.537 57.950 1.00 16.49 H new ATOM 0 HB2 SER A 178 26.626 13.096 57.168 1.00 21.00 H new ATOM 0 HB3 SER A 178 26.603 13.952 58.471 1.00 21.00 H new ATOM 0 HG SER A 178 25.498 15.011 56.821 1.00 26.28 H new ATOM 2371 N ASN A 179 29.304 15.066 55.336 1.00 11.94 N ATOM 2372 CA ASN A 179 29.816 14.996 53.957 1.00 13.94 C ATOM 2373 C ASN A 179 31.350 14.978 53.906 1.00 9.87 C ATOM 2374 O ASN A 179 31.948 15.145 52.861 1.00 12.96 O ATOM 2375 CB ASN A 179 29.316 16.208 53.170 1.00 12.38 C ATOM 2376 CG ASN A 179 27.796 16.217 53.076 1.00 14.14 C ATOM 2377 OD1 ASN A 179 27.132 15.234 52.819 1.00 14.23 O ATOM 2378 ND2 ASN A 179 27.181 17.336 53.272 1.00 16.41 N ATOM 0 H ASN A 179 29.281 15.857 55.673 1.00 11.94 H new ATOM 0 HA ASN A 179 29.492 14.168 53.569 1.00 13.94 H new ATOM 0 HB2 ASN A 179 29.621 17.023 53.599 1.00 12.38 H new ATOM 0 HB3 ASN A 179 29.697 16.197 52.278 1.00 12.38 H new ATOM 0 HD21 ASN A 179 26.323 17.370 53.219 1.00 16.41 H new ATOM 0 HD22 ASN A 179 27.629 18.047 53.456 1.00 16.41 H new ATOM 2385 N MET A 180 31.937 14.771 55.033 1.00 9.52 N ATOM 2386 CA MET A 180 33.401 14.725 55.170 1.00 12.01 C ATOM 2387 C MET A 180 33.882 13.522 56.024 1.00 8.77 C ATOM 2388 O MET A 180 33.127 12.976 56.797 1.00 12.21 O ATOM 2389 CB MET A 180 33.891 15.939 55.904 1.00 10.33 C ATOM 2390 CG MET A 180 33.417 17.283 55.394 1.00 13.15 C ATOM 2391 SD MET A 180 33.844 18.622 56.538 1.00 13.50 S ATOM 2392 CE MET A 180 33.258 20.024 55.575 1.00 13.49 C ATOM 0 H MET A 180 31.514 14.647 55.771 1.00 9.52 H new ATOM 0 HA MET A 180 33.744 14.663 54.265 1.00 12.01 H new ATOM 0 HB2 MET A 180 33.626 15.858 56.833 1.00 10.33 H new ATOM 0 HB3 MET A 180 34.861 15.933 55.884 1.00 10.33 H new ATOM 0 HG2 MET A 180 33.814 17.459 54.527 1.00 13.15 H new ATOM 0 HG3 MET A 180 32.456 17.260 55.266 1.00 13.15 H new ATOM 0 HE1 MET A 180 33.419 20.845 56.066 1.00 13.49 H new ATOM 0 HE2 MET A 180 33.731 20.056 54.729 1.00 13.49 H new ATOM 0 HE3 MET A 180 32.307 19.928 55.410 1.00 13.49 H new ATOM 2402 N PHE A 181 35.108 13.128 55.858 1.00 12.62 N ATOM 2403 CA PHE A 181 35.697 12.022 56.654 1.00 12.38 C ATOM 2404 C PHE A 181 37.178 12.385 56.677 1.00 13.78 C ATOM 2405 O PHE A 181 37.668 13.090 55.809 1.00 9.83 O ATOM 2406 CB PHE A 181 35.482 10.578 55.992 1.00 12.84 C ATOM 2407 CG PHE A 181 36.212 10.212 54.708 1.00 10.70 C ATOM 2408 CD1 PHE A 181 37.499 9.712 54.720 1.00 11.70 C ATOM 2409 CD2 PHE A 181 35.564 10.345 53.500 1.00 13.50 C ATOM 2410 CE1 PHE A 181 38.125 9.346 53.538 1.00 13.21 C ATOM 2411 CE2 PHE A 181 36.187 9.976 52.306 1.00 13.33 C ATOM 2412 CZ PHE A 181 37.472 9.474 52.324 1.00 13.41 C ATOM 0 H PHE A 181 35.648 13.477 55.286 1.00 12.62 H new ATOM 0 HA PHE A 181 35.285 11.945 57.529 1.00 12.38 H new ATOM 0 HB2 PHE A 181 35.723 9.916 56.659 1.00 12.84 H new ATOM 0 HB3 PHE A 181 34.532 10.477 55.822 1.00 12.84 H new ATOM 0 HD1 PHE A 181 37.950 9.620 55.528 1.00 11.70 H new ATOM 0 HD2 PHE A 181 34.699 10.686 53.479 1.00 13.50 H new ATOM 0 HE1 PHE A 181 38.992 9.011 53.561 1.00 13.21 H new ATOM 0 HE2 PHE A 181 35.736 10.069 51.498 1.00 13.33 H new ATOM 0 HZ PHE A 181 37.893 9.225 51.533 1.00 13.41 H new ATOM 2422 N CYS A 182 37.856 11.898 57.667 1.00 14.21 N ATOM 2423 CA CYS A 182 39.303 12.163 57.788 1.00 14.65 C ATOM 2424 C CYS A 182 40.031 10.866 57.472 1.00 13.78 C ATOM 2425 O CYS A 182 39.518 9.776 57.681 1.00 11.84 O ATOM 2426 CB CYS A 182 39.713 12.523 59.196 1.00 15.35 C ATOM 2427 SG CYS A 182 39.150 14.077 59.907 1.00 17.23 S ATOM 0 H CYS A 182 37.523 11.410 58.292 1.00 14.21 H new ATOM 0 HA CYS A 182 39.516 12.899 57.193 1.00 14.65 H new ATOM 0 HB2 CYS A 182 39.411 11.809 59.779 1.00 15.35 H new ATOM 0 HB3 CYS A 182 40.683 12.523 59.226 1.00 15.35 H new ATOM 2432 N ALA A 183 41.216 11.035 56.955 1.00 13.95 N ATOM 2433 CA ALA A 183 42.077 9.874 56.605 1.00 12.43 C ATOM 2434 C ALA A 183 43.483 10.364 56.863 1.00 14.45 C ATOM 2435 O ALA A 183 43.813 11.522 56.633 1.00 12.12 O ATOM 2436 CB ALA A 183 41.969 9.506 55.162 1.00 12.39 C ATOM 0 H ALA A 183 41.565 11.803 56.788 1.00 13.95 H new ATOM 0 HA ALA A 183 41.822 9.090 57.117 1.00 12.43 H new ATOM 0 HB1 ALA A 183 42.544 8.747 54.977 1.00 12.39 H new ATOM 0 HB2 ALA A 183 41.050 9.273 54.955 1.00 12.39 H new ATOM 0 HB3 ALA A 183 42.242 10.259 54.615 1.00 12.39 H new ATOM 2442 N GLY A 184A 44.306 9.477 57.311 1.00 17.15 N ATOM 2443 CA GLY A 184A 45.684 9.894 57.584 1.00 17.43 C ATOM 2444 C GLY A 184A 46.240 9.211 58.799 1.00 18.15 C ATOM 2445 O GLY A 184A 45.811 8.128 59.158 1.00 18.35 O ATOM 0 H GLY A 184A 44.121 8.652 57.467 1.00 17.15 H new ATOM 0 HA2 GLY A 184A 46.241 9.693 56.816 1.00 17.43 H new ATOM 0 HA3 GLY A 184A 45.712 10.855 57.711 1.00 17.43 H new ATOM 2449 N TYR A 184 47.184 9.914 59.370 1.00 25.72 N ATOM 2450 CA TYR A 184 47.970 9.530 60.594 1.00 28.35 C ATOM 2451 C TYR A 184 47.961 10.656 61.637 1.00 28.17 C ATOM 2452 O TYR A 184 48.443 11.741 61.384 1.00 29.64 O ATOM 2453 CB TYR A 184 49.441 9.214 60.126 1.00 29.40 C ATOM 2454 CG TYR A 184 49.343 8.087 59.119 1.00 29.95 C ATOM 2455 CD1 TYR A 184 49.168 8.349 57.781 1.00 30.50 C ATOM 2456 CD2 TYR A 184 49.384 6.792 59.558 1.00 30.16 C ATOM 2457 CE1 TYR A 184 49.033 7.316 56.896 1.00 33.02 C ATOM 2458 CE2 TYR A 184 49.249 5.769 58.670 1.00 30.99 C ATOM 2459 CZ TYR A 184 49.071 6.018 57.353 1.00 32.75 C ATOM 2460 OH TYR A 184 48.926 4.924 56.539 1.00 37.37 O ATOM 0 H TYR A 184 47.422 10.680 59.060 1.00 25.72 H new ATOM 0 HA TYR A 184 47.571 8.754 61.018 1.00 28.35 H new ATOM 0 HB2 TYR A 184 49.852 9.997 59.728 1.00 29.40 H new ATOM 0 HB3 TYR A 184 49.994 8.956 60.880 1.00 29.40 H new ATOM 0 HD1 TYR A 184 49.141 9.228 57.478 1.00 30.50 H new ATOM 0 HD2 TYR A 184 49.504 6.611 60.462 1.00 30.16 H new ATOM 0 HE1 TYR A 184 48.916 7.489 55.990 1.00 33.02 H new ATOM 0 HE2 TYR A 184 49.280 4.890 58.972 1.00 30.99 H new ATOM 0 HH TYR A 184 49.060 5.149 55.741 1.00 37.37 H new ATOM 2470 N LEU A 185 47.437 10.390 62.792 1.00 28.86 N ATOM 2471 CA LEU A 185 47.396 11.442 63.866 1.00 28.04 C ATOM 2472 C LEU A 185 48.798 11.765 64.347 1.00 29.32 C ATOM 2473 O LEU A 185 49.057 12.822 64.879 1.00 24.13 O ATOM 2474 CB LEU A 185 46.538 10.939 65.041 1.00 28.06 C ATOM 2475 CG LEU A 185 45.064 10.781 64.609 1.00 28.97 C ATOM 2476 CD1 LEU A 185 44.209 10.366 65.805 1.00 30.99 C ATOM 2477 CD2 LEU A 185 44.470 12.098 64.040 1.00 29.65 C ATOM 0 H LEU A 185 47.095 9.632 63.011 1.00 28.86 H new ATOM 0 HA LEU A 185 47.004 12.251 63.502 1.00 28.04 H new ATOM 0 HB2 LEU A 185 46.881 10.088 65.357 1.00 28.06 H new ATOM 0 HB3 LEU A 185 46.598 11.562 65.782 1.00 28.06 H new ATOM 0 HG LEU A 185 45.052 10.104 63.915 1.00 28.97 H new ATOM 0 HD11 LEU A 185 43.285 10.269 65.525 1.00 30.99 H new ATOM 0 HD12 LEU A 185 44.531 9.520 66.155 1.00 30.99 H new ATOM 0 HD13 LEU A 185 44.267 11.045 66.496 1.00 30.99 H new ATOM 0 HD21 LEU A 185 43.546 11.952 63.783 1.00 29.65 H new ATOM 0 HD22 LEU A 185 44.511 12.791 64.718 1.00 29.65 H new ATOM 0 HD23 LEU A 185 44.981 12.375 63.264 1.00 29.65 H new ATOM 2489 N GLU A 186 49.701 10.852 64.158 1.00 32.12 N ATOM 2490 CA GLU A 186 51.088 11.159 64.614 1.00 33.43 C ATOM 2491 C GLU A 186 51.684 12.242 63.671 1.00 35.44 C ATOM 2492 O GLU A 186 52.618 12.930 64.050 1.00 36.87 O ATOM 2493 CB GLU A 186 51.978 9.863 64.590 1.00 34.12 C ATOM 2494 CG GLU A 186 51.707 8.892 63.393 1.00 34.32 C ATOM 2495 CD GLU A 186 50.492 7.975 63.707 0.25 32.81 C ATOM 2496 OE1 GLU A 186 50.573 7.285 64.708 0.25 33.14 O ATOM 2497 OE2 GLU A 186 49.545 7.996 62.946 0.25 32.53 O ATOM 0 H GLU A 186 49.578 10.083 63.794 1.00 32.12 H new ATOM 0 HA GLU A 186 51.069 11.487 65.527 1.00 33.43 H new ATOM 0 HB2 GLU A 186 52.911 10.129 64.568 1.00 34.12 H new ATOM 0 HB3 GLU A 186 51.841 9.378 65.419 1.00 34.12 H new ATOM 0 HG2 GLU A 186 51.535 9.403 62.587 1.00 34.32 H new ATOM 0 HG3 GLU A 186 52.494 8.350 63.223 1.00 34.32 H new ATOM 2504 N GLY A 187 51.144 12.370 62.483 1.00 31.58 N ATOM 2505 CA GLY A 187 51.678 13.398 61.557 1.00 30.01 C ATOM 2506 C GLY A 187 52.724 12.727 60.681 1.00 31.07 C ATOM 2507 O GLY A 187 52.998 11.551 60.858 1.00 30.42 O ATOM 0 H GLY A 187 50.490 11.900 62.181 1.00 31.58 H new ATOM 0 HA2 GLY A 187 50.966 13.770 61.013 1.00 30.01 H new ATOM 0 HA3 GLY A 187 52.070 14.133 62.053 1.00 30.01 H new ATOM 2511 N GLY A 188A 53.279 13.471 59.752 1.00 30.22 N ATOM 2512 CA GLY A 188A 54.328 12.893 58.850 1.00 29.49 C ATOM 2513 C GLY A 188A 53.832 12.551 57.446 1.00 27.36 C ATOM 2514 O GLY A 188A 54.529 12.742 56.468 1.00 25.33 O ATOM 0 H GLY A 188A 53.087 14.297 59.607 1.00 30.22 H new ATOM 0 HA2 GLY A 188A 55.061 13.524 58.778 1.00 29.49 H new ATOM 0 HA3 GLY A 188A 54.685 12.090 59.260 1.00 29.49 H new ATOM 2518 N LYS A 188 52.633 12.044 57.379 1.00 27.61 N ATOM 2519 CA LYS A 188 52.019 11.648 56.077 1.00 26.03 C ATOM 2520 C LYS A 188 50.684 12.385 55.907 1.00 20.65 C ATOM 2521 O LYS A 188 49.926 12.438 56.865 1.00 23.44 O ATOM 2522 CB LYS A 188 51.837 10.095 56.109 1.00 24.61 C ATOM 2523 CG LYS A 188 53.228 9.364 56.089 1.00 26.15 C ATOM 2524 CD LYS A 188 53.148 7.917 56.762 1.00 28.29 C ATOM 2525 CE LYS A 188 53.986 7.860 58.072 0.58 29.94 C ATOM 2526 NZ LYS A 188 53.322 8.571 59.215 0.58 29.99 N ATOM 0 H LYS A 188 52.131 11.908 58.064 1.00 27.61 H new ATOM 0 HA LYS A 188 52.576 11.888 55.320 1.00 26.03 H new ATOM 0 HB2 LYS A 188 51.345 9.840 56.905 1.00 24.61 H new ATOM 0 HB3 LYS A 188 51.308 9.812 55.347 1.00 24.61 H new ATOM 0 HG2 LYS A 188 53.535 9.278 55.173 1.00 26.15 H new ATOM 0 HG3 LYS A 188 53.884 9.903 56.558 1.00 26.15 H new ATOM 0 HD2 LYS A 188 52.223 7.698 56.957 1.00 28.29 H new ATOM 0 HD3 LYS A 188 53.472 7.249 56.138 1.00 28.29 H new ATOM 0 HE2 LYS A 188 54.136 6.933 58.316 0.58 29.94 H new ATOM 0 HE3 LYS A 188 54.857 8.256 57.912 0.58 29.94 H new ATOM 0 HZ1 LYS A 188 53.835 8.512 59.940 0.58 29.99 H new ATOM 0 HZ2 LYS A 188 53.204 9.428 59.004 0.58 29.99 H new ATOM 0 HZ3 LYS A 188 52.532 8.195 59.380 0.58 29.99 H new ATOM 2540 N ASP A 189 50.434 12.908 54.742 1.00 15.26 N ATOM 2541 CA ASP A 189 49.156 13.657 54.471 1.00 16.15 C ATOM 2542 C ASP A 189 49.101 14.126 52.995 1.00 15.58 C ATOM 2543 O ASP A 189 50.075 14.025 52.258 1.00 15.33 O ATOM 2544 CB ASP A 189 49.075 14.950 55.366 1.00 14.40 C ATOM 2545 CG ASP A 189 47.677 15.686 55.408 1.00 16.20 C ATOM 2546 OD1 ASP A 189 47.639 16.770 55.979 1.00 18.99 O ATOM 2547 OD2 ASP A 189 46.710 15.153 54.895 1.00 11.79 O ATOM 0 H ASP A 189 50.968 12.861 54.070 1.00 15.26 H new ATOM 0 HA ASP A 189 48.422 13.054 54.668 1.00 16.15 H new ATOM 0 HB2 ASP A 189 49.319 14.708 56.273 1.00 14.40 H new ATOM 0 HB3 ASP A 189 49.742 15.580 55.051 1.00 14.40 H new ATOM 2552 N SER A 190 47.956 14.619 52.590 1.00 14.59 N ATOM 2553 CA SER A 190 47.805 15.132 51.224 1.00 14.12 C ATOM 2554 C SER A 190 48.106 16.649 51.578 1.00 15.70 C ATOM 2555 O SER A 190 48.251 17.026 52.751 1.00 11.65 O ATOM 2556 CB SER A 190 46.357 14.897 50.711 1.00 12.58 C ATOM 2557 OG SER A 190 45.468 15.490 51.647 1.00 13.46 O ATOM 0 H SER A 190 47.249 14.672 53.077 1.00 14.59 H new ATOM 0 HA SER A 190 48.350 14.744 50.521 1.00 14.12 H new ATOM 0 HB2 SER A 190 46.239 15.290 49.832 1.00 12.58 H new ATOM 0 HB3 SER A 190 46.176 13.948 50.623 1.00 12.58 H new ATOM 0 HG SER A 190 45.026 14.889 52.033 1.00 13.46 H new ATOM 2563 N CYS A 191 48.185 17.497 50.589 1.00 16.22 N ATOM 2564 CA CYS A 191 48.490 18.917 50.859 1.00 16.87 C ATOM 2565 C CYS A 191 48.008 19.742 49.653 1.00 21.76 C ATOM 2566 O CYS A 191 47.508 19.195 48.668 1.00 20.45 O ATOM 2567 CB CYS A 191 50.024 18.949 51.081 1.00 18.46 C ATOM 2568 SG CYS A 191 50.760 20.451 51.738 1.00 20.04 S ATOM 0 H CYS A 191 48.071 17.297 49.760 1.00 16.22 H new ATOM 0 HA CYS A 191 48.048 19.298 51.634 1.00 16.87 H new ATOM 0 HB2 CYS A 191 50.251 18.222 51.681 1.00 18.46 H new ATOM 0 HB3 CYS A 191 50.450 18.759 50.231 1.00 18.46 H new ATOM 2573 N GLN A 192 48.166 21.033 49.744 1.00 22.48 N ATOM 2574 CA GLN A 192 47.730 21.900 48.610 1.00 24.04 C ATOM 2575 C GLN A 192 48.466 21.444 47.353 1.00 18.26 C ATOM 2576 O GLN A 192 49.650 21.176 47.321 1.00 16.76 O ATOM 2577 CB GLN A 192 48.045 23.363 48.932 1.00 29.54 C ATOM 2578 CG GLN A 192 49.401 23.504 49.649 1.00 38.45 C ATOM 2579 CD GLN A 192 49.591 24.986 50.008 1.00 46.43 C ATOM 2580 OE1 GLN A 192 48.706 25.652 50.514 1.00 48.41 O ATOM 2581 NE2 GLN A 192 50.723 25.574 49.778 1.00 52.09 N ATOM 0 H GLN A 192 48.508 21.445 50.417 1.00 22.48 H new ATOM 0 HA GLN A 192 46.773 21.826 48.467 1.00 24.04 H new ATOM 0 HB2 GLN A 192 48.056 23.881 48.112 1.00 29.54 H new ATOM 0 HB3 GLN A 192 47.343 23.731 49.491 1.00 29.54 H new ATOM 0 HG2 GLN A 192 49.421 22.955 50.449 1.00 38.45 H new ATOM 0 HG3 GLN A 192 50.122 23.198 49.076 1.00 38.45 H new ATOM 0 HE21 GLN A 192 51.371 25.135 49.422 1.00 52.09 H new ATOM 0 HE22 GLN A 192 50.826 26.403 49.982 1.00 52.09 H new ATOM 2590 N GLY A 193 47.683 21.363 46.320 1.00 19.30 N ATOM 2591 CA GLY A 193 48.216 20.918 45.001 1.00 19.62 C ATOM 2592 C GLY A 193 47.643 19.513 44.756 1.00 17.84 C ATOM 2593 O GLY A 193 47.536 19.076 43.629 1.00 18.64 O ATOM 0 H GLY A 193 46.844 21.552 46.328 1.00 19.30 H new ATOM 0 HA2 GLY A 193 47.949 21.528 44.296 1.00 19.62 H new ATOM 0 HA3 GLY A 193 49.186 20.900 45.008 1.00 19.62 H new ATOM 2597 N ASP A 194 47.300 18.839 45.830 1.00 15.36 N ATOM 2598 CA ASP A 194 46.716 17.458 45.735 1.00 15.86 C ATOM 2599 C ASP A 194 45.191 17.591 45.605 1.00 14.80 C ATOM 2600 O ASP A 194 44.494 16.676 45.219 1.00 14.88 O ATOM 2601 CB ASP A 194 47.049 16.664 46.993 1.00 12.75 C ATOM 2602 CG ASP A 194 48.577 16.351 47.054 1.00 15.06 C ATOM 2603 OD1 ASP A 194 49.075 16.299 48.152 1.00 13.32 O ATOM 2604 OD2 ASP A 194 49.192 16.164 46.013 1.00 14.88 O ATOM 0 H ASP A 194 47.385 19.136 46.633 1.00 15.36 H new ATOM 0 HA ASP A 194 47.084 16.995 44.967 1.00 15.86 H new ATOM 0 HB2 ASP A 194 46.785 17.167 47.779 1.00 12.75 H new ATOM 0 HB3 ASP A 194 46.543 15.836 47.003 1.00 12.75 H new ATOM 2609 N SER A 195 44.770 18.761 45.977 1.00 16.89 N ATOM 2610 CA SER A 195 43.331 19.251 45.972 1.00 16.30 C ATOM 2611 C SER A 195 42.484 18.702 44.850 1.00 13.30 C ATOM 2612 O SER A 195 42.985 18.796 43.748 1.00 8.50 O ATOM 2613 CB SER A 195 43.296 20.743 45.791 1.00 16.92 C ATOM 2614 OG SER A 195 44.336 21.134 46.675 1.00 18.91 O ATOM 0 H SER A 195 45.314 19.362 46.265 1.00 16.89 H new ATOM 0 HA SER A 195 42.974 18.949 46.822 1.00 16.30 H new ATOM 0 HB2 SER A 195 43.471 21.008 44.875 1.00 16.92 H new ATOM 0 HB3 SER A 195 42.439 21.125 46.037 1.00 16.92 H new ATOM 2619 N GLY A 196 41.312 18.187 45.137 1.00 10.22 N ATOM 2620 CA GLY A 196 40.479 17.666 44.023 1.00 5.81 C ATOM 2621 C GLY A 196 40.830 16.230 43.686 1.00 7.71 C ATOM 2622 O GLY A 196 40.056 15.522 43.047 1.00 12.98 O ATOM 0 H GLY A 196 40.973 18.121 45.924 1.00 10.22 H new ATOM 0 HA2 GLY A 196 39.542 17.722 44.266 1.00 5.81 H new ATOM 0 HA3 GLY A 196 40.603 18.223 43.238 1.00 5.81 H new ATOM 2626 N GLY A 197 42.001 15.848 44.116 1.00 9.58 N ATOM 2627 CA GLY A 197 42.507 14.472 43.856 1.00 9.02 C ATOM 2628 C GLY A 197 41.732 13.326 44.466 1.00 12.33 C ATOM 2629 O GLY A 197 40.943 13.545 45.366 1.00 17.02 O ATOM 0 H GLY A 197 42.539 16.349 44.563 1.00 9.58 H new ATOM 0 HA2 GLY A 197 42.536 14.338 42.896 1.00 9.02 H new ATOM 0 HA3 GLY A 197 43.421 14.422 44.177 1.00 9.02 H new ATOM 2633 N PRO A 198 41.965 12.141 43.956 1.00 14.69 N ATOM 2634 CA PRO A 198 41.330 10.891 44.431 1.00 14.84 C ATOM 2635 C PRO A 198 41.840 10.234 45.704 1.00 15.09 C ATOM 2636 O PRO A 198 42.994 10.378 46.055 1.00 15.43 O ATOM 2637 CB PRO A 198 41.473 9.924 43.244 1.00 16.76 C ATOM 2638 CG PRO A 198 42.836 10.310 42.624 1.00 15.65 C ATOM 2639 CD PRO A 198 42.887 11.862 42.797 1.00 16.42 C ATOM 0 HA PRO A 198 40.427 11.119 44.700 1.00 14.84 H new ATOM 0 HB2 PRO A 198 41.462 8.999 43.534 1.00 16.76 H new ATOM 0 HB3 PRO A 198 40.749 10.030 42.608 1.00 16.76 H new ATOM 0 HG2 PRO A 198 43.573 9.875 43.081 1.00 15.65 H new ATOM 0 HG3 PRO A 198 42.890 10.052 41.690 1.00 15.65 H new ATOM 0 HD2 PRO A 198 43.789 12.168 42.981 1.00 16.42 H new ATOM 0 HD3 PRO A 198 42.592 12.317 41.993 1.00 16.42 H new ATOM 2647 N VAL A 199 40.936 9.524 46.333 1.00 16.53 N ATOM 2648 CA VAL A 199 41.187 8.747 47.591 1.00 13.41 C ATOM 2649 C VAL A 199 40.435 7.478 47.170 1.00 13.72 C ATOM 2650 O VAL A 199 39.211 7.474 47.235 1.00 13.89 O ATOM 2651 CB VAL A 199 40.519 9.354 48.803 1.00 15.83 C ATOM 2652 CG1 VAL A 199 40.773 8.441 50.020 1.00 13.75 C ATOM 2653 CG2 VAL A 199 41.135 10.742 49.028 1.00 16.59 C ATOM 0 H VAL A 199 40.125 9.460 46.055 1.00 16.53 H new ATOM 0 HA VAL A 199 42.117 8.669 47.854 1.00 13.41 H new ATOM 0 HB VAL A 199 39.561 9.439 48.676 1.00 15.83 H new ATOM 0 HG11 VAL A 199 40.348 8.822 50.805 1.00 13.75 H new ATOM 0 HG12 VAL A 199 40.403 7.561 49.847 1.00 13.75 H new ATOM 0 HG13 VAL A 199 41.728 8.365 50.174 1.00 13.75 H new ATOM 0 HG21 VAL A 199 40.724 11.157 49.802 1.00 16.59 H new ATOM 0 HG22 VAL A 199 42.089 10.652 49.178 1.00 16.59 H new ATOM 0 HG23 VAL A 199 40.982 11.295 48.246 1.00 16.59 H new ATOM 2663 N VAL A 200 41.156 6.472 46.758 1.00 11.88 N ATOM 2664 CA VAL A 200 40.535 5.197 46.311 1.00 13.77 C ATOM 2665 C VAL A 200 40.772 4.118 47.356 1.00 13.89 C ATOM 2666 O VAL A 200 41.884 3.959 47.834 1.00 14.79 O ATOM 2667 CB VAL A 200 41.175 4.858 44.895 1.00 15.60 C ATOM 2668 CG1 VAL A 200 40.721 3.486 44.295 1.00 18.22 C ATOM 2669 CG2 VAL A 200 40.778 5.971 43.898 1.00 16.94 C ATOM 0 H VAL A 200 42.015 6.481 46.719 1.00 11.88 H new ATOM 0 HA VAL A 200 39.572 5.261 46.215 1.00 13.77 H new ATOM 0 HB VAL A 200 42.133 4.801 45.034 1.00 15.60 H new ATOM 0 HG11 VAL A 200 41.151 3.350 43.436 1.00 18.22 H new ATOM 0 HG12 VAL A 200 40.973 2.770 44.899 1.00 18.22 H new ATOM 0 HG13 VAL A 200 39.758 3.487 44.178 1.00 18.22 H new ATOM 0 HG21 VAL A 200 41.161 5.778 43.028 1.00 16.94 H new ATOM 0 HG22 VAL A 200 39.812 6.009 43.824 1.00 16.94 H new ATOM 0 HG23 VAL A 200 41.112 6.825 44.216 1.00 16.94 H new ATOM 2679 N CYS A 201 39.700 3.438 47.656 1.00 13.18 N ATOM 2680 CA CYS A 201 39.717 2.344 48.653 1.00 16.62 C ATOM 2681 C CYS A 201 38.931 1.202 48.039 1.00 18.07 C ATOM 2682 O CYS A 201 37.804 1.425 47.631 1.00 12.82 O ATOM 2683 CB CYS A 201 39.049 2.838 49.918 1.00 19.16 C ATOM 2684 SG CYS A 201 39.235 4.606 50.306 1.00 19.67 S ATOM 0 H CYS A 201 38.930 3.579 47.300 1.00 13.18 H new ATOM 0 HA CYS A 201 40.615 2.055 48.877 1.00 16.62 H new ATOM 0 HB2 CYS A 201 38.101 2.640 49.857 1.00 19.16 H new ATOM 0 HB3 CYS A 201 39.398 2.326 50.664 1.00 19.16 H new ATOM 2689 N SER A 202 39.521 0.047 48.002 1.00 18.88 N ATOM 2690 CA SER A 202 38.903 -1.181 47.433 1.00 20.48 C ATOM 2691 C SER A 202 38.402 -1.041 45.995 1.00 21.32 C ATOM 2692 O SER A 202 37.416 -1.641 45.593 1.00 24.53 O ATOM 2693 CB SER A 202 37.721 -1.621 48.308 1.00 23.68 C ATOM 2694 OG SER A 202 38.249 -1.813 49.621 1.00 22.92 O ATOM 0 H SER A 202 40.315 -0.081 48.308 1.00 18.88 H new ATOM 0 HA SER A 202 39.615 -1.839 47.420 1.00 20.48 H new ATOM 0 HB2 SER A 202 37.022 -0.948 48.310 1.00 23.68 H new ATOM 0 HB3 SER A 202 37.326 -2.440 47.970 1.00 23.68 H new ATOM 0 HG SER A 202 37.633 -2.055 50.138 1.00 22.92 H new ATOM 2700 N GLY A 203 39.078 -0.241 45.236 1.00 14.87 N ATOM 2701 CA GLY A 203 38.645 -0.073 43.827 1.00 15.93 C ATOM 2702 C GLY A 203 37.598 1.016 43.587 1.00 17.82 C ATOM 2703 O GLY A 203 37.219 1.220 42.444 1.00 19.57 O ATOM 0 H GLY A 203 39.769 0.212 45.475 1.00 14.87 H new ATOM 0 HA2 GLY A 203 39.426 0.125 43.286 1.00 15.93 H new ATOM 0 HA3 GLY A 203 38.289 -0.918 43.511 1.00 15.93 H new ATOM 2707 N LYS A 204 37.148 1.694 44.628 1.00 17.02 N ATOM 2708 CA LYS A 204 36.117 2.754 44.390 1.00 16.69 C ATOM 2709 C LYS A 204 36.628 4.081 44.867 1.00 14.02 C ATOM 2710 O LYS A 204 37.346 4.165 45.851 1.00 5.78 O ATOM 2711 CB LYS A 204 34.834 2.501 45.179 1.00 21.12 C ATOM 2712 CG LYS A 204 34.428 1.050 45.173 1.00 27.00 C ATOM 2713 CD LYS A 204 33.817 0.676 43.843 1.00 32.44 C ATOM 2714 CE LYS A 204 33.810 -0.844 43.800 1.00 37.89 C ATOM 2715 NZ LYS A 204 32.934 -1.281 42.688 1.00 42.22 N ATOM 0 H LYS A 204 37.395 1.583 45.444 1.00 17.02 H new ATOM 0 HA LYS A 204 35.936 2.743 43.437 1.00 16.69 H new ATOM 0 HB2 LYS A 204 34.958 2.795 46.095 1.00 21.12 H new ATOM 0 HB3 LYS A 204 34.117 3.036 44.804 1.00 21.12 H new ATOM 0 HG2 LYS A 204 35.202 0.492 45.348 1.00 27.00 H new ATOM 0 HG3 LYS A 204 33.791 0.884 45.886 1.00 27.00 H new ATOM 0 HD2 LYS A 204 32.918 1.030 43.762 1.00 32.44 H new ATOM 0 HD3 LYS A 204 34.333 1.042 43.108 1.00 32.44 H new ATOM 0 HE2 LYS A 204 34.710 -1.181 43.672 1.00 37.89 H new ATOM 0 HE3 LYS A 204 33.490 -1.203 44.642 1.00 37.89 H new ATOM 0 HZ1 LYS A 204 32.921 -2.170 42.652 1.00 42.22 H new ATOM 0 HZ2 LYS A 204 32.108 -0.978 42.824 1.00 42.22 H new ATOM 0 HZ3 LYS A 204 33.246 -0.958 41.920 1.00 42.22 H new ATOM 2729 N LEU A 209 36.198 5.072 44.154 1.00 12.28 N ATOM 2730 CA LEU A 209 36.592 6.462 44.495 1.00 13.43 C ATOM 2731 C LEU A 209 35.728 6.774 45.736 1.00 12.18 C ATOM 2732 O LEU A 209 34.524 6.879 45.636 1.00 16.13 O ATOM 2733 CB LEU A 209 36.228 7.389 43.329 1.00 13.96 C ATOM 2734 CG LEU A 209 36.635 8.838 43.629 1.00 12.56 C ATOM 2735 CD1 LEU A 209 38.159 9.018 43.752 1.00 12.68 C ATOM 2736 CD2 LEU A 209 36.154 9.696 42.450 1.00 13.46 C ATOM 0 H LEU A 209 35.682 4.996 43.470 1.00 12.28 H new ATOM 0 HA LEU A 209 37.541 6.578 44.661 1.00 13.43 H new ATOM 0 HB2 LEU A 209 36.670 7.086 42.521 1.00 13.96 H new ATOM 0 HB3 LEU A 209 35.273 7.346 43.163 1.00 13.96 H new ATOM 0 HG LEU A 209 36.240 9.096 44.477 1.00 12.56 H new ATOM 0 HD11 LEU A 209 38.361 9.948 43.941 1.00 12.68 H new ATOM 0 HD12 LEU A 209 38.494 8.462 44.473 1.00 12.68 H new ATOM 0 HD13 LEU A 209 38.584 8.758 42.920 1.00 12.68 H new ATOM 0 HD21 LEU A 209 36.395 10.623 42.605 1.00 13.46 H new ATOM 0 HD22 LEU A 209 36.573 9.386 41.632 1.00 13.46 H new ATOM 0 HD23 LEU A 209 35.190 9.622 42.368 1.00 13.46 H new ATOM 2748 N GLN A 210 36.336 6.908 46.878 1.00 12.18 N ATOM 2749 CA GLN A 210 35.583 7.196 48.107 1.00 12.61 C ATOM 2750 C GLN A 210 35.803 8.606 48.580 1.00 10.10 C ATOM 2751 O GLN A 210 34.962 9.122 49.292 1.00 10.28 O ATOM 2752 CB GLN A 210 36.039 6.191 49.203 1.00 17.19 C ATOM 2753 CG GLN A 210 35.637 4.668 48.888 1.00 17.18 C ATOM 2754 CD GLN A 210 34.164 4.362 49.187 1.00 17.22 C ATOM 2755 OE1 GLN A 210 33.666 3.295 48.906 1.00 17.82 O ATOM 2756 NE2 GLN A 210 33.379 5.210 49.752 1.00 17.20 N ATOM 0 H GLN A 210 37.187 6.839 46.985 1.00 12.18 H new ATOM 0 HA GLN A 210 34.635 7.101 47.925 1.00 12.61 H new ATOM 0 HB2 GLN A 210 37.002 6.249 49.304 1.00 17.19 H new ATOM 0 HB3 GLN A 210 35.649 6.451 50.052 1.00 17.19 H new ATOM 0 HG2 GLN A 210 35.819 4.477 47.954 1.00 17.18 H new ATOM 0 HG3 GLN A 210 36.198 4.076 49.413 1.00 17.18 H new ATOM 0 HE21 GLN A 210 33.674 5.986 49.976 1.00 17.20 H new ATOM 0 HE22 GLN A 210 32.559 5.001 49.906 1.00 17.20 H new ATOM 2765 N GLY A 211 36.880 9.229 48.226 1.00 9.75 N ATOM 2766 CA GLY A 211 37.088 10.642 48.719 1.00 13.40 C ATOM 2767 C GLY A 211 37.718 11.573 47.690 1.00 13.31 C ATOM 2768 O GLY A 211 38.184 11.084 46.679 1.00 9.70 O ATOM 0 H GLY A 211 37.502 8.909 47.726 1.00 9.75 H new ATOM 0 HA2 GLY A 211 36.232 11.009 48.992 1.00 13.40 H new ATOM 0 HA3 GLY A 211 37.651 10.619 49.508 1.00 13.40 H new ATOM 2772 N ILE A 212 37.698 12.855 47.993 1.00 11.56 N ATOM 2773 CA ILE A 212 38.286 13.903 47.111 1.00 12.98 C ATOM 2774 C ILE A 212 39.148 14.707 48.079 1.00 10.94 C ATOM 2775 O ILE A 212 38.670 15.015 49.156 1.00 6.97 O ATOM 2776 CB ILE A 212 37.142 14.810 46.458 1.00 15.22 C ATOM 2777 CG1 ILE A 212 36.243 13.914 45.500 1.00 18.29 C ATOM 2778 CG2 ILE A 212 37.731 15.993 45.608 1.00 12.33 C ATOM 2779 CD1 ILE A 212 35.100 14.771 44.868 1.00 17.14 C ATOM 0 H ILE A 212 37.347 13.165 48.714 1.00 11.56 H new ATOM 0 HA ILE A 212 38.785 13.544 46.361 1.00 12.98 H new ATOM 0 HB ILE A 212 36.622 15.184 47.186 1.00 15.22 H new ATOM 0 HG12 ILE A 212 36.792 13.528 44.799 1.00 18.29 H new ATOM 0 HG13 ILE A 212 35.863 13.176 46.001 1.00 18.29 H new ATOM 0 HG21 ILE A 212 37.005 16.515 45.232 1.00 12.33 H new ATOM 0 HG22 ILE A 212 38.276 16.560 46.176 1.00 12.33 H new ATOM 0 HG23 ILE A 212 38.277 15.636 44.890 1.00 12.33 H new ATOM 0 HD11 ILE A 212 34.560 14.213 44.287 1.00 17.14 H new ATOM 0 HD12 ILE A 212 34.543 15.137 45.572 1.00 17.14 H new ATOM 0 HD13 ILE A 212 35.486 15.496 44.352 1.00 17.14 H new ATOM 2791 N VAL A 213 40.363 15.036 47.731 1.00 6.59 N ATOM 2792 CA VAL A 213 41.227 15.827 48.660 1.00 9.66 C ATOM 2793 C VAL A 213 40.559 17.239 48.828 1.00 11.01 C ATOM 2794 O VAL A 213 40.434 17.983 47.871 1.00 9.31 O ATOM 2795 CB VAL A 213 42.671 15.904 48.033 1.00 11.95 C ATOM 2796 CG1 VAL A 213 43.658 16.674 48.933 1.00 11.24 C ATOM 2797 CG2 VAL A 213 43.274 14.511 47.795 1.00 13.25 C ATOM 0 H VAL A 213 40.729 14.830 46.981 1.00 6.59 H new ATOM 0 HA VAL A 213 41.311 15.424 49.538 1.00 9.66 H new ATOM 0 HB VAL A 213 42.552 16.369 47.190 1.00 11.95 H new ATOM 0 HG11 VAL A 213 44.531 16.697 48.511 1.00 11.24 H new ATOM 0 HG12 VAL A 213 43.338 17.580 49.063 1.00 11.24 H new ATOM 0 HG13 VAL A 213 43.727 16.230 49.792 1.00 11.24 H new ATOM 0 HG21 VAL A 213 44.159 14.603 47.410 1.00 13.25 H new ATOM 0 HG22 VAL A 213 43.337 14.037 48.639 1.00 13.25 H new ATOM 0 HG23 VAL A 213 42.707 14.013 47.186 1.00 13.25 H new ATOM 2807 N SER A 214 40.176 17.558 50.042 1.00 10.35 N ATOM 2808 CA SER A 214 39.515 18.844 50.359 1.00 8.63 C ATOM 2809 C SER A 214 40.300 19.761 51.285 1.00 7.85 C ATOM 2810 O SER A 214 40.777 20.787 50.841 1.00 10.47 O ATOM 2811 CB SER A 214 38.137 18.439 50.947 1.00 7.07 C ATOM 2812 OG SER A 214 37.347 19.573 51.223 1.00 10.06 O ATOM 0 H SER A 214 40.284 17.044 50.723 1.00 10.35 H new ATOM 0 HA SER A 214 39.438 19.388 49.560 1.00 8.63 H new ATOM 0 HB2 SER A 214 37.672 17.863 50.321 1.00 7.07 H new ATOM 0 HB3 SER A 214 38.268 17.927 51.760 1.00 7.07 H new ATOM 0 HG SER A 214 37.002 19.855 50.511 1.00 10.06 H new ATOM 2818 N TRP A 215 40.442 19.427 52.536 1.00 8.82 N ATOM 2819 CA TRP A 215 41.213 20.384 53.394 1.00 12.06 C ATOM 2820 C TRP A 215 41.910 19.788 54.554 1.00 12.64 C ATOM 2821 O TRP A 215 41.892 18.593 54.718 1.00 14.35 O ATOM 2822 CB TRP A 215 40.246 21.504 53.908 1.00 10.47 C ATOM 2823 CG TRP A 215 38.980 21.048 54.659 1.00 9.44 C ATOM 2824 CD1 TRP A 215 37.827 20.567 54.124 1.00 13.53 C ATOM 2825 CD2 TRP A 215 38.828 21.083 56.017 1.00 15.79 C ATOM 2826 NE1 TRP A 215 37.050 20.339 55.173 1.00 13.78 N ATOM 2827 CE2 TRP A 215 37.555 20.618 56.365 1.00 15.33 C ATOM 2828 CE3 TRP A 215 39.716 21.479 57.017 1.00 16.77 C ATOM 2829 CZ2 TRP A 215 37.176 20.553 57.704 1.00 16.75 C ATOM 2830 CZ3 TRP A 215 39.333 21.410 58.355 1.00 17.90 C ATOM 2831 CH2 TRP A 215 38.066 20.949 58.701 1.00 18.42 C ATOM 0 H TRP A 215 40.140 18.717 52.917 1.00 8.82 H new ATOM 0 HA TRP A 215 41.914 20.731 52.820 1.00 12.06 H new ATOM 0 HB2 TRP A 215 40.749 22.090 54.495 1.00 10.47 H new ATOM 0 HB3 TRP A 215 39.969 22.036 53.145 1.00 10.47 H new ATOM 0 HD1 TRP A 215 37.628 20.429 53.226 1.00 13.53 H new ATOM 0 HE1 TRP A 215 36.255 20.024 55.084 1.00 13.78 H new ATOM 0 HE3 TRP A 215 40.563 21.789 56.791 1.00 16.77 H new ATOM 0 HZ2 TRP A 215 36.329 20.245 57.933 1.00 16.75 H new ATOM 0 HZ3 TRP A 215 39.927 21.673 59.020 1.00 17.90 H new ATOM 0 HH2 TRP A 215 37.814 20.905 59.595 1.00 18.42 H new ATOM 2842 N GLY A 216 42.526 20.623 55.336 1.00 18.41 N ATOM 2843 CA GLY A 216 43.257 20.134 56.539 1.00 17.78 C ATOM 2844 C GLY A 216 43.814 21.361 57.250 1.00 21.90 C ATOM 2845 O GLY A 216 43.449 22.460 56.884 1.00 21.62 O ATOM 0 H GLY A 216 42.552 21.474 55.217 1.00 18.41 H new ATOM 0 HA2 GLY A 216 42.663 19.639 57.124 1.00 17.78 H new ATOM 0 HA3 GLY A 216 43.972 19.531 56.284 1.00 17.78 H new ATOM 2849 N SER A 217 44.656 21.152 58.222 1.00 23.19 N ATOM 2850 CA SER A 217 45.285 22.278 59.009 1.00 26.89 C ATOM 2851 C SER A 217 46.760 22.131 58.543 1.00 27.15 C ATOM 2852 O SER A 217 47.425 21.204 58.989 1.00 26.89 O ATOM 2853 CB SER A 217 45.154 22.014 60.535 1.00 25.26 C ATOM 2854 OG SER A 217 45.651 23.178 61.182 1.00 26.82 O ATOM 0 H SER A 217 44.904 20.368 58.474 1.00 23.19 H new ATOM 0 HA SER A 217 44.895 23.155 58.869 1.00 26.89 H new ATOM 0 HB2 SER A 217 44.230 21.849 60.780 1.00 25.26 H new ATOM 0 HB3 SER A 217 45.661 21.229 60.796 1.00 25.26 H new ATOM 0 HG SER A 217 45.598 23.080 62.015 1.00 26.82 H new ATOM 2860 N GLY A 219 47.223 23.010 57.679 1.00 27.03 N ATOM 2861 CA GLY A 219 48.628 22.897 57.194 1.00 25.47 C ATOM 2862 C GLY A 219 48.653 21.515 56.558 1.00 23.94 C ATOM 2863 O GLY A 219 47.658 21.044 56.020 1.00 22.41 O ATOM 0 H GLY A 219 46.773 23.668 57.356 1.00 27.03 H new ATOM 0 HA2 GLY A 219 48.845 23.592 56.553 1.00 25.47 H new ATOM 0 HA3 GLY A 219 49.267 22.971 57.920 1.00 25.47 H new ATOM 2867 N CYS A 220 49.782 20.890 56.618 1.00 27.17 N ATOM 2868 CA CYS A 220 49.903 19.530 56.047 1.00 27.24 C ATOM 2869 C CYS A 220 50.793 18.734 57.000 1.00 27.94 C ATOM 2870 O CYS A 220 51.682 19.269 57.637 1.00 31.89 O ATOM 2871 CB CYS A 220 50.563 19.570 54.668 1.00 27.85 C ATOM 2872 SG CYS A 220 49.740 20.628 53.472 1.00 22.07 S ATOM 0 H CYS A 220 50.499 21.204 56.974 1.00 27.17 H new ATOM 0 HA CYS A 220 49.025 19.131 55.945 1.00 27.24 H new ATOM 0 HB2 CYS A 220 51.480 19.870 54.770 1.00 27.85 H new ATOM 0 HB3 CYS A 220 50.598 18.668 54.313 1.00 27.85 H new ATOM 2877 N ALA A 221A 50.512 17.471 57.035 1.00 25.75 N ATOM 2878 CA ALA A 221A 51.224 16.473 57.860 1.00 23.41 C ATOM 2879 C ALA A 221A 51.492 16.873 59.303 1.00 25.59 C ATOM 2880 O ALA A 221A 52.537 16.500 59.812 1.00 23.45 O ATOM 2881 CB ALA A 221A 52.557 16.131 57.133 1.00 23.10 C ATOM 0 H ALA A 221A 49.877 17.128 56.568 1.00 25.75 H new ATOM 0 HA ALA A 221A 50.636 15.706 57.942 1.00 23.41 H new ATOM 0 HB1 ALA A 221A 53.050 15.476 57.651 1.00 23.10 H new ATOM 0 HB2 ALA A 221A 52.363 15.768 56.255 1.00 23.10 H new ATOM 0 HB3 ALA A 221A 53.090 16.936 57.039 1.00 23.10 H new ATOM 2887 N GLN A 221 50.564 17.572 59.908 1.00 23.96 N ATOM 2888 CA GLN A 221 50.737 18.005 61.339 1.00 24.13 C ATOM 2889 C GLN A 221 50.038 16.967 62.203 1.00 24.63 C ATOM 2890 O GLN A 221 49.017 16.402 61.829 1.00 21.65 O ATOM 2891 CB GLN A 221 50.081 19.374 61.643 1.00 23.61 C ATOM 2892 CG GLN A 221 50.804 20.521 60.870 1.00 25.17 C ATOM 2893 CD GLN A 221 52.244 20.624 61.353 0.15 25.18 C ATOM 2894 OE1 GLN A 221 52.509 20.935 62.498 0.15 26.67 O ATOM 2895 NE2 GLN A 221 53.207 20.364 60.528 0.15 25.72 N ATOM 0 H GLN A 221 49.826 17.819 59.543 1.00 23.96 H new ATOM 0 HA GLN A 221 51.687 18.087 61.516 1.00 24.13 H new ATOM 0 HB2 GLN A 221 49.144 19.351 61.393 1.00 23.61 H new ATOM 0 HB3 GLN A 221 50.116 19.549 62.596 1.00 23.61 H new ATOM 0 HG2 GLN A 221 50.784 20.345 59.916 1.00 25.17 H new ATOM 0 HG3 GLN A 221 50.343 21.362 61.013 1.00 25.17 H new ATOM 0 HE21 GLN A 221 53.030 20.143 59.716 0.15 25.72 H new ATOM 0 HE22 GLN A 221 54.024 20.412 60.792 0.15 25.72 H new ATOM 2904 N LYS A 222 50.673 16.802 63.337 1.00 26.94 N ATOM 2905 CA LYS A 222 50.235 15.850 64.385 1.00 28.65 C ATOM 2906 C LYS A 222 48.845 16.266 64.831 1.00 30.33 C ATOM 2907 O LYS A 222 48.591 17.428 65.055 1.00 31.10 O ATOM 2908 CB LYS A 222 51.269 15.907 65.530 0.46 28.58 C ATOM 2909 CG LYS A 222 50.902 14.946 66.678 0.46 30.43 C ATOM 2910 CD LYS A 222 51.978 15.110 67.771 0.46 32.81 C ATOM 2911 CE LYS A 222 51.686 14.211 68.996 0.46 35.51 C ATOM 2912 NZ LYS A 222 52.743 14.418 70.041 0.46 37.58 N ATOM 0 H LYS A 222 51.385 17.237 63.544 1.00 26.94 H new ATOM 0 HA LYS A 222 50.187 14.934 64.070 1.00 28.65 H new ATOM 0 HB2 LYS A 222 52.147 15.680 65.185 0.46 28.58 H new ATOM 0 HB3 LYS A 222 51.324 16.813 65.871 0.46 28.58 H new ATOM 0 HG2 LYS A 222 50.022 15.153 67.030 0.46 30.43 H new ATOM 0 HG3 LYS A 222 50.872 14.030 66.361 0.46 30.43 H new ATOM 0 HD2 LYS A 222 52.848 14.887 67.405 0.46 32.81 H new ATOM 0 HD3 LYS A 222 52.017 16.038 68.051 0.46 32.81 H new ATOM 0 HE2 LYS A 222 50.812 14.421 69.361 0.46 35.51 H new ATOM 0 HE3 LYS A 222 51.664 13.280 68.726 0.46 35.51 H new ATOM 0 HZ1 LYS A 222 52.572 13.899 70.744 0.46 37.58 H new ATOM 0 HZ2 LYS A 222 53.539 14.207 69.704 0.46 37.58 H new ATOM 0 HZ3 LYS A 222 52.746 15.271 70.296 0.46 37.58 H new ATOM 2926 N ASN A 223 48.007 15.289 64.949 1.00 30.56 N ATOM 2927 CA ASN A 223 46.603 15.436 65.360 1.00 33.14 C ATOM 2928 C ASN A 223 45.774 16.305 64.430 1.00 28.36 C ATOM 2929 O ASN A 223 44.728 16.764 64.848 1.00 28.35 O ATOM 2930 CB ASN A 223 46.537 16.014 66.763 1.00 40.18 C ATOM 2931 CG ASN A 223 47.014 14.958 67.787 1.00 47.59 C ATOM 2932 OD1 ASN A 223 46.506 13.852 67.828 1.00 53.62 O ATOM 2933 ND2 ASN A 223 47.964 15.230 68.641 1.00 49.67 N ATOM 0 H ASN A 223 48.226 14.473 64.790 1.00 30.56 H new ATOM 0 HA ASN A 223 46.221 14.545 65.327 1.00 33.14 H new ATOM 0 HB2 ASN A 223 47.092 16.807 66.821 1.00 40.18 H new ATOM 0 HB3 ASN A 223 45.629 16.287 66.967 1.00 40.18 H new ATOM 0 HD21 ASN A 223 48.214 14.636 69.210 1.00 49.67 H new ATOM 0 HD22 ASN A 223 48.340 16.003 68.634 1.00 49.67 H new ATOM 2940 N LYS A 224 46.259 16.508 63.245 1.00 21.99 N ATOM 2941 CA LYS A 224 45.549 17.301 62.177 1.00 22.72 C ATOM 2942 C LYS A 224 45.498 16.483 60.887 1.00 22.33 C ATOM 2943 O LYS A 224 46.210 16.820 59.944 1.00 22.95 O ATOM 2944 CB LYS A 224 46.266 18.617 61.829 1.00 25.33 C ATOM 2945 CG LYS A 224 46.250 19.591 63.001 1.00 30.81 C ATOM 2946 CD LYS A 224 44.753 19.762 63.446 1.00 33.49 C ATOM 2947 CE ALYS A 224 44.588 20.920 64.470 0.68 35.78 C ATOM 2948 CE BLYS A 224 44.690 20.810 64.599 0.36 32.68 C ATOM 2949 NZ ALYS A 224 43.168 21.436 64.367 0.68 35.74 N ATOM 2950 NZ BLYS A 224 43.633 20.389 65.582 0.36 30.74 N ATOM 0 H LYS A 224 47.022 16.200 62.993 1.00 21.99 H new ATOM 0 HA LYS A 224 44.668 17.502 62.530 1.00 22.72 H new ATOM 0 HB2 LYS A 224 47.183 18.429 61.576 1.00 25.33 H new ATOM 0 HB3 LYS A 224 45.838 19.027 61.061 1.00 25.33 H new ATOM 0 HG2 LYS A 224 46.788 19.253 63.734 1.00 30.81 H new ATOM 0 HG3 LYS A 224 46.629 20.445 62.741 1.00 30.81 H new ATOM 0 HD2ALYS A 224 44.201 19.937 62.667 0.68 33.49 H new ATOM 0 HD2BLYS A 224 44.211 20.054 62.697 0.36 33.49 H new ATOM 0 HD3ALYS A 224 44.435 18.934 63.839 0.68 33.49 H new ATOM 0 HD3BLYS A 224 44.392 18.912 63.744 0.36 33.49 H new ATOM 0 HE2ALYS A 224 44.770 20.606 65.369 0.68 32.68 H new ATOM 0 HE2BLYS A 224 45.551 20.876 65.040 0.36 32.68 H new ATOM 0 HE3ALYS A 224 45.222 21.631 64.284 0.68 32.68 H new ATOM 0 HE3BLYS A 224 44.486 21.689 64.243 0.36 32.68 H new ATOM 0 HZ1ALYS A 224 43.075 22.156 64.882 0.68 30.74 H new ATOM 0 HZ1BLYS A 224 43.467 21.058 66.145 0.36 30.74 H new ATOM 0 HZ2ALYS A 224 42.991 21.651 63.522 0.68 30.74 H new ATOM 0 HZ2BLYS A 224 42.887 20.178 65.144 0.36 30.74 H new ATOM 0 HZ3ALYS A 224 42.602 20.804 64.637 0.68 30.74 H new ATOM 0 HZ3BLYS A 224 43.918 19.681 66.040 0.36 30.74 H new ATOM 2969 N PRO A 225 44.697 15.460 60.809 1.00 21.57 N ATOM 2970 CA PRO A 225 44.595 14.597 59.584 1.00 19.11 C ATOM 2971 C PRO A 225 43.988 15.359 58.387 1.00 17.92 C ATOM 2972 O PRO A 225 43.517 16.476 58.507 1.00 19.81 O ATOM 2973 CB PRO A 225 43.749 13.378 60.034 1.00 18.95 C ATOM 2974 CG PRO A 225 42.849 13.978 61.178 1.00 20.85 C ATOM 2975 CD PRO A 225 43.786 14.998 61.907 1.00 20.12 C ATOM 0 HA PRO A 225 45.463 14.316 59.255 1.00 19.11 H new ATOM 0 HB2 PRO A 225 43.216 13.022 59.306 1.00 18.95 H new ATOM 0 HB3 PRO A 225 44.306 12.653 60.358 1.00 18.95 H new ATOM 0 HG2 PRO A 225 42.062 14.415 60.817 1.00 20.85 H new ATOM 0 HG3 PRO A 225 42.538 13.287 61.783 1.00 20.85 H new ATOM 0 HD2 PRO A 225 43.285 15.734 62.292 1.00 20.12 H new ATOM 0 HD3 PRO A 225 44.278 14.580 62.631 1.00 20.12 H new ATOM 2983 N GLY A 226 44.006 14.737 57.239 1.00 15.46 N ATOM 2984 CA GLY A 226 43.435 15.433 56.050 1.00 13.75 C ATOM 2985 C GLY A 226 41.932 15.189 56.137 1.00 13.38 C ATOM 2986 O GLY A 226 41.539 14.216 56.770 1.00 11.17 O ATOM 0 H GLY A 226 44.322 13.949 57.100 1.00 15.46 H new ATOM 0 HA2 GLY A 226 43.639 16.381 56.066 1.00 13.75 H new ATOM 0 HA3 GLY A 226 43.802 15.078 55.225 1.00 13.75 H new ATOM 2990 N VAL A 227 41.179 16.058 55.513 1.00 11.11 N ATOM 2991 CA VAL A 227 39.697 15.966 55.495 1.00 8.51 C ATOM 2992 C VAL A 227 39.406 15.790 54.012 1.00 7.02 C ATOM 2993 O VAL A 227 39.951 16.480 53.177 1.00 8.73 O ATOM 2994 CB VAL A 227 39.102 17.279 56.105 1.00 8.19 C ATOM 2995 CG1 VAL A 227 37.609 17.064 56.280 1.00 9.45 C ATOM 2996 CG2 VAL A 227 39.709 17.577 57.502 1.00 9.89 C ATOM 0 H VAL A 227 41.492 16.731 55.078 1.00 11.11 H new ATOM 0 HA VAL A 227 39.307 15.249 56.019 1.00 8.51 H new ATOM 0 HB VAL A 227 39.302 18.023 55.515 1.00 8.19 H new ATOM 0 HG11 VAL A 227 37.209 17.863 56.658 1.00 9.45 H new ATOM 0 HG12 VAL A 227 37.205 16.877 55.418 1.00 9.45 H new ATOM 0 HG13 VAL A 227 37.458 16.314 56.876 1.00 9.45 H new ATOM 0 HG21 VAL A 227 39.323 18.394 57.855 1.00 9.89 H new ATOM 0 HG22 VAL A 227 39.514 16.841 58.103 1.00 9.89 H new ATOM 0 HG23 VAL A 227 40.670 17.682 57.422 1.00 9.89 H new ATOM 3006 N TYR A 228 38.553 14.875 53.739 1.00 9.31 N ATOM 3007 CA TYR A 228 38.136 14.516 52.359 1.00 11.73 C ATOM 3008 C TYR A 228 36.631 14.600 52.148 1.00 11.50 C ATOM 3009 O TYR A 228 35.874 14.460 53.081 1.00 9.80 O ATOM 3010 CB TYR A 228 38.630 13.065 52.116 1.00 11.15 C ATOM 3011 CG TYR A 228 40.142 13.006 52.357 1.00 13.28 C ATOM 3012 CD1 TYR A 228 40.953 13.236 51.276 1.00 12.66 C ATOM 3013 CD2 TYR A 228 40.719 12.767 53.615 1.00 12.18 C ATOM 3014 CE1 TYR A 228 42.304 13.241 51.417 1.00 12.11 C ATOM 3015 CE2 TYR A 228 42.099 12.773 53.754 1.00 12.44 C ATOM 3016 CZ TYR A 228 42.883 13.017 52.634 1.00 13.23 C ATOM 3017 OH TYR A 228 44.257 13.077 52.641 1.00 13.08 O ATOM 0 H TYR A 228 38.164 14.406 54.345 1.00 9.31 H new ATOM 0 HA TYR A 228 38.522 15.148 51.732 1.00 11.73 H new ATOM 0 HB2 TYR A 228 38.172 12.451 52.711 1.00 11.15 H new ATOM 0 HB3 TYR A 228 38.424 12.788 51.209 1.00 11.15 H new ATOM 0 HD1 TYR A 228 40.576 13.390 50.440 1.00 12.66 H new ATOM 0 HD2 TYR A 228 40.177 12.605 54.353 1.00 12.18 H new ATOM 0 HE1 TYR A 228 42.842 13.399 50.675 1.00 12.11 H new ATOM 0 HE2 TYR A 228 42.492 12.616 54.582 1.00 12.44 H new ATOM 0 HH TYR A 228 44.550 12.878 51.879 1.00 13.08 H new ATOM 3027 N THR A 229 36.231 14.796 50.932 1.00 7.66 N ATOM 3028 CA THR A 229 34.764 14.888 50.622 1.00 8.91 C ATOM 3029 C THR A 229 34.318 13.408 50.622 1.00 8.81 C ATOM 3030 O THR A 229 34.992 12.571 50.059 1.00 11.93 O ATOM 3031 CB THR A 229 34.520 15.459 49.217 1.00 10.61 C ATOM 3032 OG1 THR A 229 35.052 16.784 49.147 1.00 11.37 O ATOM 3033 CG2 THR A 229 33.027 15.591 48.935 1.00 6.35 C ATOM 0 H THR A 229 36.753 14.882 50.254 1.00 7.66 H new ATOM 0 HA THR A 229 34.295 15.461 51.249 1.00 8.91 H new ATOM 0 HB THR A 229 34.939 14.859 48.580 1.00 10.61 H new ATOM 0 HG1 THR A 229 34.775 17.161 48.449 1.00 11.37 H new ATOM 0 HG21 THR A 229 32.896 15.953 48.044 1.00 6.35 H new ATOM 0 HG22 THR A 229 32.608 14.718 48.994 1.00 6.35 H new ATOM 0 HG23 THR A 229 32.626 16.186 49.587 1.00 6.35 H new ATOM 3041 N LYS A 230 33.207 13.135 51.205 1.00 9.71 N ATOM 3042 CA LYS A 230 32.650 11.758 51.296 1.00 10.88 C ATOM 3043 C LYS A 230 31.780 11.491 50.028 1.00 9.87 C ATOM 3044 O LYS A 230 30.570 11.657 50.018 1.00 8.01 O ATOM 3045 CB LYS A 230 31.873 11.761 52.622 1.00 11.59 C ATOM 3046 CG LYS A 230 31.472 10.357 53.051 1.00 14.19 C ATOM 3047 CD LYS A 230 30.799 10.461 54.445 1.00 17.57 C ATOM 3048 CE LYS A 230 30.725 9.084 55.013 1.00 22.67 C ATOM 3049 NZ LYS A 230 29.959 9.129 56.270 1.00 26.40 N ATOM 0 H LYS A 230 32.714 13.732 51.580 1.00 9.71 H new ATOM 0 HA LYS A 230 33.303 11.041 51.306 1.00 10.88 H new ATOM 0 HB2 LYS A 230 32.418 12.167 53.314 1.00 11.59 H new ATOM 0 HB3 LYS A 230 31.078 12.309 52.529 1.00 11.59 H new ATOM 0 HG2 LYS A 230 30.861 9.966 52.407 1.00 14.19 H new ATOM 0 HG3 LYS A 230 32.250 9.779 53.091 1.00 14.19 H new ATOM 0 HD2 LYS A 230 31.311 11.043 55.028 1.00 17.57 H new ATOM 0 HD3 LYS A 230 29.912 10.846 54.367 1.00 17.57 H new ATOM 0 HE2 LYS A 230 30.299 8.483 54.382 1.00 22.67 H new ATOM 0 HE3 LYS A 230 31.617 8.739 55.176 1.00 22.67 H new ATOM 0 HZ1 LYS A 230 29.909 8.311 56.617 1.00 26.40 H new ATOM 0 HZ2 LYS A 230 30.366 9.671 56.847 1.00 26.40 H new ATOM 0 HZ3 LYS A 230 29.138 9.432 56.107 1.00 26.40 H new ATOM 3063 N VAL A 231 32.452 11.091 48.985 1.00 8.22 N ATOM 3064 CA VAL A 231 31.791 10.805 47.690 1.00 10.06 C ATOM 3065 C VAL A 231 30.558 9.847 47.720 1.00 11.46 C ATOM 3066 O VAL A 231 29.667 10.036 46.900 1.00 7.77 O ATOM 3067 CB VAL A 231 32.915 10.260 46.685 1.00 12.29 C ATOM 3068 CG1 VAL A 231 32.339 10.035 45.249 1.00 12.73 C ATOM 3069 CG2 VAL A 231 34.015 11.318 46.506 1.00 12.27 C ATOM 0 H VAL A 231 33.303 10.970 48.982 1.00 8.22 H new ATOM 0 HA VAL A 231 31.397 11.642 47.397 1.00 10.06 H new ATOM 0 HB VAL A 231 33.246 9.432 47.067 1.00 12.29 H new ATOM 0 HG11 VAL A 231 33.041 9.706 44.666 1.00 12.73 H new ATOM 0 HG12 VAL A 231 31.620 9.385 45.287 1.00 12.73 H new ATOM 0 HG13 VAL A 231 31.998 10.874 44.902 1.00 12.73 H new ATOM 0 HG21 VAL A 231 34.691 10.982 45.897 1.00 12.27 H new ATOM 0 HG22 VAL A 231 33.628 12.130 46.142 1.00 12.27 H new ATOM 0 HG23 VAL A 231 34.421 11.511 47.365 1.00 12.27 H new ATOM 3079 N CYS A 232 30.509 8.872 48.605 1.00 10.92 N ATOM 3080 CA CYS A 232 29.333 7.958 48.615 1.00 12.89 C ATOM 3081 C CYS A 232 28.042 8.732 48.855 1.00 12.65 C ATOM 3082 O CYS A 232 26.983 8.214 48.594 1.00 12.27 O ATOM 3083 CB CYS A 232 29.569 6.888 49.683 1.00 12.00 C ATOM 3084 SG CYS A 232 29.768 7.407 51.382 1.00 13.36 S ATOM 0 H CYS A 232 31.111 8.708 49.196 1.00 10.92 H new ATOM 0 HA CYS A 232 29.234 7.528 47.751 1.00 12.89 H new ATOM 0 HB2 CYS A 232 28.824 6.268 49.649 1.00 12.00 H new ATOM 0 HB3 CYS A 232 30.363 6.391 49.432 1.00 12.00 H new ATOM 3089 N ASN A 233 28.141 9.937 49.331 1.00 14.40 N ATOM 3090 CA ASN A 233 26.903 10.749 49.573 1.00 15.39 C ATOM 3091 C ASN A 233 26.462 11.490 48.307 1.00 12.34 C ATOM 3092 O ASN A 233 25.377 12.053 48.282 1.00 10.95 O ATOM 3093 CB ASN A 233 27.097 11.862 50.621 1.00 15.94 C ATOM 3094 CG ASN A 233 27.219 11.310 52.024 1.00 18.85 C ATOM 3095 OD1 ASN A 233 27.168 10.112 52.231 1.00 19.75 O ATOM 3096 ND2 ASN A 233 27.379 12.138 53.013 1.00 21.24 N ATOM 0 H ASN A 233 28.881 10.328 49.528 1.00 14.40 H new ATOM 0 HA ASN A 233 26.252 10.096 49.875 1.00 15.39 H new ATOM 0 HB2 ASN A 233 27.893 12.372 50.405 1.00 15.94 H new ATOM 0 HB3 ASN A 233 26.347 12.476 50.581 1.00 15.94 H new ATOM 0 HD21 ASN A 233 27.449 11.840 53.817 1.00 21.24 H new ATOM 0 HD22 ASN A 233 27.415 12.984 52.864 1.00 21.24 H new ATOM 3103 N TYR A 234 27.279 11.487 47.298 1.00 10.89 N ATOM 3104 CA TYR A 234 26.903 12.218 46.046 1.00 12.86 C ATOM 3105 C TYR A 234 26.713 11.375 44.812 1.00 14.40 C ATOM 3106 O TYR A 234 26.605 11.956 43.750 1.00 12.34 O ATOM 3107 CB TYR A 234 27.998 13.238 45.727 1.00 15.39 C ATOM 3108 CG TYR A 234 28.255 14.162 46.894 1.00 14.64 C ATOM 3109 CD1 TYR A 234 27.499 15.307 46.994 1.00 14.17 C ATOM 3110 CD2 TYR A 234 29.215 13.875 47.855 1.00 11.84 C ATOM 3111 CE1 TYR A 234 27.691 16.160 48.044 1.00 14.71 C ATOM 3112 CE2 TYR A 234 29.406 14.728 48.903 1.00 12.44 C ATOM 3113 CZ TYR A 234 28.645 15.879 49.008 1.00 15.07 C ATOM 3114 OH TYR A 234 28.822 16.730 50.078 1.00 18.43 O ATOM 0 H TYR A 234 28.042 11.091 47.280 1.00 10.89 H new ATOM 0 HA TYR A 234 26.038 12.610 46.243 1.00 12.86 H new ATOM 0 HB2 TYR A 234 28.817 12.773 45.495 1.00 15.39 H new ATOM 0 HB3 TYR A 234 27.739 13.760 44.951 1.00 15.39 H new ATOM 0 HD1 TYR A 234 26.858 15.500 46.348 1.00 14.17 H new ATOM 0 HD2 TYR A 234 29.727 13.102 47.785 1.00 11.84 H new ATOM 0 HE1 TYR A 234 27.179 16.933 48.112 1.00 14.71 H new ATOM 0 HE2 TYR A 234 30.048 14.536 49.547 1.00 12.44 H new ATOM 0 HH TYR A 234 28.250 17.344 50.045 1.00 18.43 H new ATOM 3124 N VAL A 235 26.659 10.076 44.911 1.00 11.92 N ATOM 3125 CA VAL A 235 26.500 9.276 43.668 1.00 16.04 C ATOM 3126 C VAL A 235 25.253 9.582 42.874 1.00 11.63 C ATOM 3127 O VAL A 235 25.355 9.649 41.671 1.00 10.25 O ATOM 3128 CB VAL A 235 26.608 7.723 44.090 1.00 16.13 C ATOM 3129 CG1 VAL A 235 26.338 6.816 42.848 1.00 17.90 C ATOM 3130 CG2 VAL A 235 28.061 7.372 44.621 1.00 15.15 C ATOM 0 H VAL A 235 26.708 9.627 45.643 1.00 11.92 H new ATOM 0 HA VAL A 235 27.207 9.517 43.048 1.00 16.04 H new ATOM 0 HB VAL A 235 25.954 7.567 44.789 1.00 16.13 H new ATOM 0 HG11 VAL A 235 26.404 5.884 43.107 1.00 17.90 H new ATOM 0 HG12 VAL A 235 25.448 6.993 42.505 1.00 17.90 H new ATOM 0 HG13 VAL A 235 26.994 7.007 42.159 1.00 17.90 H new ATOM 0 HG21 VAL A 235 28.098 6.434 44.867 1.00 15.15 H new ATOM 0 HG22 VAL A 235 28.712 7.549 43.924 1.00 15.15 H new ATOM 0 HG23 VAL A 235 28.263 7.918 45.397 1.00 15.15 H new ATOM 3140 N SER A 236 24.126 9.763 43.488 1.00 13.83 N ATOM 3141 CA SER A 236 22.912 10.058 42.678 1.00 14.05 C ATOM 3142 C SER A 236 23.044 11.436 42.015 1.00 13.01 C ATOM 3143 O SER A 236 22.637 11.593 40.880 1.00 11.36 O ATOM 3144 CB ASER A 236 21.691 10.027 43.619 0.28 14.58 C ATOM 3145 CB BSER A 236 21.669 9.978 43.604 0.24 12.34 C ATOM 3146 OG ASER A 236 22.022 9.051 44.619 0.28 15.52 O ATOM 3147 OG BSER A 236 21.993 10.672 44.809 0.24 13.05 O ATOM 0 H SER A 236 24.010 9.728 44.339 1.00 13.83 H new ATOM 0 HA SER A 236 22.806 9.397 41.976 1.00 14.05 H new ATOM 0 HB2ASER A 236 21.531 10.897 44.016 0.28 12.34 H new ATOM 0 HB2BSER A 236 20.897 10.379 43.175 0.24 12.34 H new ATOM 0 HB3ASER A 236 20.884 9.781 43.140 0.28 12.34 H new ATOM 0 HB3BSER A 236 21.441 9.054 43.792 0.24 12.34 H new ATOM 0 HG ASER A 236 21.390 8.988 45.169 0.28 13.05 H new ATOM 0 HG BSER A 236 22.018 11.498 44.659 0.24 13.05 H new ATOM 3156 N TRP A 237 23.604 12.380 42.730 1.00 14.76 N ATOM 3157 CA TRP A 237 23.766 13.751 42.135 1.00 14.46 C ATOM 3158 C TRP A 237 24.740 13.600 40.967 1.00 12.69 C ATOM 3159 O TRP A 237 24.545 14.180 39.915 1.00 12.12 O ATOM 3160 CB TRP A 237 24.383 14.800 43.172 1.00 14.79 C ATOM 3161 CG TRP A 237 24.680 16.180 42.487 1.00 11.96 C ATOM 3162 CD1 TRP A 237 23.741 17.081 42.037 1.00 13.29 C ATOM 3163 CD2 TRP A 237 25.909 16.682 42.226 1.00 13.39 C ATOM 3164 NE1 TRP A 237 24.466 18.063 41.534 1.00 12.32 N ATOM 3165 CE2 TRP A 237 25.785 17.924 41.596 1.00 12.93 C ATOM 3166 CE3 TRP A 237 27.187 16.167 42.474 1.00 11.33 C ATOM 3167 CZ2 TRP A 237 26.932 18.630 41.220 1.00 14.89 C ATOM 3168 CZ3 TRP A 237 28.328 16.877 42.098 1.00 10.98 C ATOM 3169 CH2 TRP A 237 28.199 18.111 41.469 1.00 11.41 C ATOM 0 H TRP A 237 23.897 12.286 43.533 1.00 14.76 H new ATOM 0 HA TRP A 237 22.896 14.088 41.869 1.00 14.46 H new ATOM 0 HB2 TRP A 237 23.766 14.930 43.909 1.00 14.79 H new ATOM 0 HB3 TRP A 237 25.202 14.441 43.548 1.00 14.79 H new ATOM 0 HD1 TRP A 237 22.814 17.014 42.078 1.00 13.29 H new ATOM 0 HE1 TRP A 237 24.102 18.759 41.183 1.00 12.32 H new ATOM 0 HE3 TRP A 237 27.277 15.342 42.894 1.00 11.33 H new ATOM 0 HZ2 TRP A 237 26.847 19.455 40.799 1.00 14.89 H new ATOM 0 HZ3 TRP A 237 29.172 16.526 42.267 1.00 10.98 H new ATOM 0 HH2 TRP A 237 28.957 18.587 41.216 1.00 11.41 H new ATOM 3180 N ILE A 238 25.780 12.831 41.160 1.00 12.25 N ATOM 3181 CA ILE A 238 26.727 12.682 40.025 1.00 11.99 C ATOM 3182 C ILE A 238 26.029 12.019 38.806 1.00 14.45 C ATOM 3183 O ILE A 238 25.997 12.550 37.701 1.00 14.45 O ATOM 3184 CB ILE A 238 27.974 11.841 40.538 1.00 13.92 C ATOM 3185 CG1 ILE A 238 28.787 12.707 41.612 1.00 13.36 C ATOM 3186 CG2 ILE A 238 28.867 11.457 39.326 1.00 16.74 C ATOM 3187 CD1 ILE A 238 29.912 11.898 42.304 1.00 11.45 C ATOM 0 H ILE A 238 25.971 12.402 41.881 1.00 12.25 H new ATOM 0 HA ILE A 238 27.033 13.550 39.719 1.00 11.99 H new ATOM 0 HB ILE A 238 27.678 11.023 40.968 1.00 13.92 H new ATOM 0 HG12 ILE A 238 29.173 13.480 41.172 1.00 13.36 H new ATOM 0 HG13 ILE A 238 28.173 13.040 42.285 1.00 13.36 H new ATOM 0 HG21 ILE A 238 29.629 10.943 39.635 1.00 16.74 H new ATOM 0 HG22 ILE A 238 28.352 10.925 38.700 1.00 16.74 H new ATOM 0 HG23 ILE A 238 29.178 12.263 38.885 1.00 16.74 H new ATOM 0 HD11 ILE A 238 30.373 12.465 42.942 1.00 11.45 H new ATOM 0 HD12 ILE A 238 29.526 11.138 42.766 1.00 11.45 H new ATOM 0 HD13 ILE A 238 30.543 11.584 41.637 1.00 11.45 H new ATOM 3199 N LYS A 239 25.482 10.857 39.036 1.00 13.35 N ATOM 3200 CA LYS A 239 24.802 10.164 37.907 1.00 13.85 C ATOM 3201 C LYS A 239 23.730 10.987 37.280 1.00 12.73 C ATOM 3202 O LYS A 239 23.660 10.989 36.072 1.00 13.13 O ATOM 3203 CB LYS A 239 24.191 8.878 38.381 1.00 18.57 C ATOM 3204 CG LYS A 239 25.365 7.997 38.811 1.00 25.87 C ATOM 3205 CD LYS A 239 24.850 6.581 39.105 1.00 30.00 C ATOM 3206 CE LYS A 239 26.059 5.636 39.208 1.00 34.33 C ATOM 3207 NZ LYS A 239 25.604 4.241 39.464 1.00 38.75 N ATOM 0 H LYS A 239 25.476 10.445 39.791 1.00 13.35 H new ATOM 0 HA LYS A 239 25.487 10.000 37.240 1.00 13.85 H new ATOM 0 HB2 LYS A 239 23.582 9.033 39.120 1.00 18.57 H new ATOM 0 HB3 LYS A 239 23.678 8.455 37.675 1.00 18.57 H new ATOM 0 HG2 LYS A 239 26.037 7.970 38.112 1.00 25.87 H new ATOM 0 HG3 LYS A 239 25.791 8.368 39.599 1.00 25.87 H new ATOM 0 HD2 LYS A 239 24.343 6.571 39.932 1.00 30.00 H new ATOM 0 HD3 LYS A 239 24.251 6.287 38.401 1.00 30.00 H new ATOM 0 HE2 LYS A 239 26.574 5.669 38.387 1.00 34.33 H new ATOM 0 HE3 LYS A 239 26.646 5.928 39.923 1.00 34.33 H new ATOM 0 HZ1 LYS A 239 26.311 3.704 39.522 1.00 38.75 H new ATOM 0 HZ2 LYS A 239 25.147 4.213 40.227 1.00 38.75 H new ATOM 0 HZ3 LYS A 239 25.081 3.972 38.796 1.00 38.75 H new ATOM 3221 N GLN A 240 22.928 11.650 38.055 1.00 12.34 N ATOM 3222 CA GLN A 240 21.847 12.472 37.441 1.00 15.61 C ATOM 3223 C GLN A 240 22.423 13.648 36.665 1.00 15.95 C ATOM 3224 O GLN A 240 21.952 13.944 35.575 1.00 13.46 O ATOM 3225 CB GLN A 240 20.891 12.949 38.590 1.00 20.00 C ATOM 3226 CG GLN A 240 19.618 13.666 38.068 0.16 19.96 C ATOM 3227 CD GLN A 240 18.488 13.385 39.067 0.16 20.08 C ATOM 3228 OE1 GLN A 240 18.660 13.465 40.263 0.16 18.78 O ATOM 3229 NE2 GLN A 240 17.311 13.048 38.638 0.16 20.31 N ATOM 0 H GLN A 240 22.962 11.660 38.914 1.00 12.34 H new ATOM 0 HA GLN A 240 21.348 11.942 36.800 1.00 15.61 H new ATOM 0 HB2 GLN A 240 20.628 12.182 39.123 1.00 20.00 H new ATOM 0 HB3 GLN A 240 21.376 13.550 39.177 1.00 20.00 H new ATOM 0 HG2 GLN A 240 19.773 14.620 37.987 0.16 19.96 H new ATOM 0 HG3 GLN A 240 19.381 13.341 37.185 0.16 19.96 H new ATOM 0 HE21 GLN A 240 17.163 12.984 37.793 0.16 20.31 H new ATOM 0 HE22 GLN A 240 16.679 12.888 39.198 0.16 20.31 H new ATOM 3238 N THR A 241 23.400 14.289 37.220 1.00 10.63 N ATOM 3239 CA THR A 241 24.002 15.444 36.531 1.00 10.57 C ATOM 3240 C THR A 241 24.678 15.074 35.200 1.00 15.32 C ATOM 3241 O THR A 241 24.415 15.712 34.189 1.00 14.35 O ATOM 3242 CB THR A 241 25.013 16.077 37.495 1.00 14.50 C ATOM 3243 OG1 THR A 241 24.185 16.447 38.597 1.00 15.41 O ATOM 3244 CG2 THR A 241 25.590 17.400 36.973 1.00 15.22 C ATOM 0 H THR A 241 23.745 14.096 37.984 1.00 10.63 H new ATOM 0 HA THR A 241 23.298 16.068 36.296 1.00 10.57 H new ATOM 0 HB THR A 241 25.752 15.471 37.663 1.00 14.50 H new ATOM 0 HG1 THR A 241 24.157 15.816 39.151 1.00 15.41 H new ATOM 0 HG21 THR A 241 26.221 17.755 37.619 1.00 15.22 H new ATOM 0 HG22 THR A 241 26.044 17.245 36.130 1.00 15.22 H new ATOM 0 HG23 THR A 241 24.871 18.037 36.840 1.00 15.22 H new ATOM 3252 N ILE A 242 25.518 14.070 35.196 1.00 16.07 N ATOM 3253 CA ILE A 242 26.176 13.749 33.902 1.00 16.15 C ATOM 3254 C ILE A 242 25.224 13.240 32.852 1.00 16.11 C ATOM 3255 O ILE A 242 25.471 13.434 31.687 1.00 14.82 O ATOM 3256 CB ILE A 242 27.261 12.756 34.199 1.00 18.66 C ATOM 3257 CG1 ILE A 242 26.684 11.418 34.663 1.00 19.83 C ATOM 3258 CG2 ILE A 242 28.191 13.367 35.346 1.00 19.11 C ATOM 3259 CD1 ILE A 242 27.863 10.424 34.776 1.00 21.67 C ATOM 0 H ILE A 242 25.727 13.577 35.869 1.00 16.07 H new ATOM 0 HA ILE A 242 26.540 14.561 33.517 1.00 16.15 H new ATOM 0 HB ILE A 242 27.770 12.590 33.390 1.00 18.66 H new ATOM 0 HG12 ILE A 242 26.237 11.517 35.518 1.00 19.83 H new ATOM 0 HG13 ILE A 242 26.022 11.094 34.032 1.00 19.83 H new ATOM 0 HG21 ILE A 242 28.901 12.740 35.555 1.00 19.11 H new ATOM 0 HG22 ILE A 242 28.577 14.202 35.039 1.00 19.11 H new ATOM 0 HG23 ILE A 242 27.660 13.530 36.141 1.00 19.11 H new ATOM 0 HD11 ILE A 242 27.532 9.561 35.069 1.00 21.67 H new ATOM 0 HD12 ILE A 242 28.290 10.329 33.910 1.00 21.67 H new ATOM 0 HD13 ILE A 242 28.508 10.758 35.419 1.00 21.67 H new ATOM 3271 N ALA A 243 24.165 12.608 33.268 1.00 13.44 N ATOM 3272 CA ALA A 243 23.203 12.091 32.233 1.00 13.80 C ATOM 3273 C ALA A 243 22.384 13.230 31.695 1.00 13.99 C ATOM 3274 O ALA A 243 21.841 13.128 30.609 1.00 15.54 O ATOM 3275 CB ALA A 243 22.234 11.057 32.810 1.00 12.49 C ATOM 0 H ALA A 243 23.959 12.455 34.089 1.00 13.44 H new ATOM 0 HA ALA A 243 23.733 11.672 31.537 1.00 13.80 H new ATOM 0 HB1 ALA A 243 21.634 10.751 32.112 1.00 12.49 H new ATOM 0 HB2 ALA A 243 22.735 10.303 33.159 1.00 12.49 H new ATOM 0 HB3 ALA A 243 21.718 11.461 33.525 1.00 12.49 H new ATOM 3281 N SER A 244 22.306 14.304 32.420 1.00 14.51 N ATOM 3282 CA SER A 244 21.486 15.429 31.889 1.00 17.12 C ATOM 3283 C SER A 244 22.341 16.562 31.311 1.00 17.43 C ATOM 3284 O SER A 244 21.786 17.622 31.055 1.00 17.74 O ATOM 3285 CB SER A 244 20.633 15.952 33.010 1.00 18.43 C ATOM 3286 OG SER A 244 20.151 14.752 33.602 1.00 26.86 O ATOM 0 H SER A 244 22.684 14.431 33.182 1.00 14.51 H new ATOM 0 HA SER A 244 20.942 15.095 31.159 1.00 17.12 H new ATOM 0 HB2 SER A 244 21.146 16.486 33.637 1.00 18.43 H new ATOM 0 HB3 SER A 244 19.911 16.512 32.685 1.00 18.43 H new ATOM 0 HG SER A 244 20.650 14.535 34.242 1.00 26.86 H new ATOM 3292 N ASN A 245 23.610 16.306 31.129 1.00 13.70 N ATOM 3293 CA ASN A 245 24.531 17.332 30.586 1.00 14.97 C ATOM 3294 C ASN A 245 25.505 16.778 29.509 1.00 14.58 C ATOM 3295 O ASN A 245 26.231 17.600 28.986 1.00 20.21 O ATOM 3296 CB ASN A 245 25.328 17.932 31.771 1.00 16.34 C ATOM 3297 CG ASN A 245 24.479 18.873 32.631 1.00 15.55 C ATOM 3298 OD1 ASN A 245 24.330 20.056 32.382 1.00 17.73 O ATOM 3299 ND2 ASN A 245 23.879 18.409 33.682 1.00 12.36 N ATOM 3300 OXT ASN A 245 25.505 15.594 29.240 1.00 15.90 O ATOM 0 H ASN A 245 23.980 15.550 31.307 1.00 13.70 H new ATOM 0 HA ASN A 245 24.000 18.008 30.138 1.00 14.97 H new ATOM 0 HB2 ASN A 245 25.670 17.213 32.325 1.00 16.34 H new ATOM 0 HB3 ASN A 245 26.096 18.416 31.429 1.00 16.34 H new ATOM 0 HD21 ASN A 245 23.400 18.931 34.170 1.00 12.36 H new ATOM 0 HD22 ASN A 245 23.959 17.579 33.892 1.00 12.36 H new TER 3307 ASN A 245 HETATM 3308 CA CA A 247 54.069 14.829 31.078 1.00 31.92 CA HETATM 3309 MG MG A 263 45.636 14.964 43.229 1.00 11.02 MG HETATM 3310 ZN ZN A 409 43.258 22.578 48.099 1.00 18.44 ZN HETATM 3311 C1 BAK A 246 45.192 19.600 52.832 1.00 14.03 C HETATM 3312 C2 BAK A 246 44.677 19.183 51.570 1.00 15.24 C HETATM 3313 C3 BAK A 246 44.340 20.112 50.576 1.00 16.41 C HETATM 3314 C4 BAK A 246 44.544 21.462 50.879 1.00 19.56 C HETATM 3315 C5 BAK A 246 45.032 21.877 52.064 1.00 16.81 C HETATM 3316 C6 BAK A 246 45.364 20.992 53.051 1.00 15.60 C HETATM 3317 C7 BAK A 246 45.538 18.685 53.856 1.00 14.85 C HETATM 3318 C8 BAK A 246 44.671 23.569 50.873 1.00 23.68 C HETATM 3319 C9 BAK A 246 44.662 24.948 50.426 1.00 27.63 C HETATM 3320 N1 BAK A 246 46.277 19.115 54.857 1.00 13.05 N HETATM 3321 N2 BAK A 246 45.146 17.427 53.805 1.00 14.45 N HETATM 3322 N3 BAK A 246 44.344 22.534 50.162 1.00 17.89 N HETATM 3323 N4 BAK A 246 45.095 23.197 52.053 1.00 21.90 N HETATM 3324 C1' BAK A 246 43.540 27.408 45.213 0.69 33.12 C HETATM 3325 C2' BAK A 246 43.474 26.032 44.846 0.69 31.33 C HETATM 3326 C3' BAK A 246 43.712 25.013 45.779 0.69 30.22 C HETATM 3327 C4' BAK A 246 43.995 25.420 47.064 0.69 29.31 C HETATM 3328 C5' BAK A 246 44.066 26.702 47.471 0.69 30.69 C HETATM 3329 C6' BAK A 246 43.844 27.738 46.581 0.69 32.35 C HETATM 3330 C7' BAK A 246 43.287 28.419 44.286 0.69 35.55 C HETATM 3331 C8' BAK A 246 44.419 25.449 49.114 0.69 28.02 C HETATM 3332 N1' BAK A 246 43.894 29.573 44.456 0.69 37.90 N HETATM 3333 N2' BAK A 246 42.457 28.191 43.289 0.69 35.92 N HETATM 3334 N3' BAK A 246 44.223 24.678 48.095 0.69 26.60 N HETATM 3335 N4' BAK A 246 44.338 26.701 48.770 0.69 30.66 N HETATM 3336 O9 BAK A 246 44.824 25.818 51.260 1.00 28.12 O HETATM 0 HN4' BAK A 246 44.440 27.387 49.279 0.69 30.66 H new HETATM 0 HH22 BAK A 246 45.364 16.883 54.434 1.00 14.45 H new HETATM 0 HH21 BAK A 246 44.672 17.151 53.142 1.00 14.45 H new HETATM 0 HH12 BAK A 246 46.499 18.577 55.490 1.00 13.05 H new HETATM 0 HH11 BAK A 246 46.538 19.934 54.878 1.00 13.05 H new HETATM 0 H2'2 BAK A 246 42.296 28.809 42.714 0.69 35.92 H new HETATM 0 H2'1 BAK A 246 42.076 27.424 43.214 0.69 35.92 H new HETATM 0 H1'2 BAK A 246 43.758 30.216 43.901 0.69 37.90 H new HETATM 0 H1'1 BAK A 246 44.427 29.685 45.122 0.69 37.90 H new HETATM 0 HN4 BAK A 246 45.361 23.708 52.692 1.00 21.90 H new HETATM 0 H6' BAK A 246 43.892 28.662 46.871 0.69 32.35 H new HETATM 0 H6 BAK A 246 45.715 21.313 53.896 1.00 15.60 H new HETATM 0 H3' BAK A 246 43.679 24.075 45.534 0.69 30.22 H new HETATM 0 H3 BAK A 246 43.982 19.832 49.719 1.00 16.41 H new HETATM 0 H2' BAK A 246 43.260 25.795 43.930 0.69 31.33 H new HETATM 0 H2 BAK A 246 44.557 18.236 51.395 1.00 15.24 H new HETATM 3353 O HOH A 248 38.927 13.140 42.697 1.00 11.28 O HETATM 3356 O HOH A 249 34.803 18.966 52.290 1.00 20.79 O HETATM 3359 O HOH A 250 47.552 16.907 42.133 1.00 15.78 O HETATM 3362 O HOH A 251 55.059 8.659 39.635 1.00 15.23 O HETATM 3365 O HOH A 252 48.198 18.814 58.741 1.00 20.05 O HETATM 3368 O HOH A 253 55.853 12.642 49.155 1.00 21.83 O HETATM 3371 O HOH A 254 52.769 15.169 45.984 1.00 18.37 O HETATM 3374 O HOH A 255 49.449 20.031 34.277 1.00 19.52 O HETATM 3377 O HOH A 256 52.319 5.272 51.802 1.00 36.65 O HETATM 3380 O HOH A 257 36.692 10.214 59.744 1.00 14.15 O HETATM 3383 O HOH A 258 48.160 7.711 33.987 1.00 24.87 O HETATM 3386 O HOH A 259 42.068 13.651 67.454 1.00 42.54 O HETATM 3389 O HOH A 260 48.142 15.170 59.039 1.00 37.85 O HETATM 3392 O HOH A 261 51.978 8.744 36.677 1.00 25.44 O HETATM 3395 O HOH A 262 52.113 23.951 32.373 1.00 19.23 O HETATM 3398 O HOH A 264 32.197 18.136 51.763 1.00 10.50 O HETATM 3401 O HOH A 265 45.665 12.547 54.862 1.00 16.90 O HETATM 3404 O HOH A 266 47.415 12.781 58.043 1.00 25.52 O HETATM 3407 O HOH A 267 52.879 10.658 30.003 1.00 16.48 O HETATM 3410 O HOH A 268 51.447 18.981 32.595 1.00 13.67 O HETATM 3413 O HOH A 269 47.041 12.883 34.324 1.00 18.46 O HETATM 3416 O HOH A 270 48.026 9.956 35.580 1.00 16.47 O HETATM 3419 O HOH A 271 53.324 16.933 30.351 1.00 21.22 O HETATM 3422 O HOH A 272 30.888 26.129 32.697 1.00 18.33 O HETATM 3425 O HOH A 273 27.097 13.297 29.262 1.00 28.10 O HETATM 3428 O HOH A 274 52.794 23.080 36.332 1.00 17.02 O HETATM 3431 O HOH A 275 45.277 9.578 33.604 1.00 18.85 O HETATM 3434 O HOH A 276 49.328 7.449 36.960 1.00 20.13 O HETATM 3437 O HOH A 277 57.467 8.410 38.435 1.00 22.64 O HETATM 3440 O HOH A 278 31.027 29.452 46.205 1.00 19.47 O HETATM 3443 O HOH A 279 29.875 28.725 48.478 1.00 23.13 O HETATM 3446 O HOH A 280 44.558 7.342 43.980 1.00 16.93 O HETATM 3449 O HOH A 281 32.801 8.096 50.329 1.00 9.45 O HETATM 3452 O HOH A 282 33.664 23.037 58.189 1.00 18.92 O HETATM 3455 O HOH A 283 33.433 18.438 63.966 1.00 24.18 O HETATM 3458 O HOH A 284 41.381 3.911 61.334 1.00 31.67 O HETATM 3461 O HOH A 285 41.847 6.816 65.493 1.00 52.07 O HETATM 3464 O AHOH A 286 33.136 6.230 28.871 0.82 25.45 O HETATM 3467 O HOH A 287 53.933 22.169 33.663 1.00 38.29 O HETATM 3470 O HOH A 288 59.717 7.205 46.185 1.00 41.89 O HETATM 3473 O HOH A 289 46.685 25.422 29.255 1.00 45.84 O HETATM 3476 O HOH A 290 46.208 6.034 60.911 1.00 37.05 O HETATM 3479 O HOH A 291 41.942 0.064 45.175 1.00 35.15 O HETATM 3482 O HOH A 292 33.291 6.834 52.827 1.00 56.77 O HETATM 3485 O HOH A 293 41.146 -2.091 43.413 1.00 30.33 O HETATM 3488 O HOH A 294 27.498 10.357 30.360 1.00 25.88 O HETATM 3491 O HOH A 295 27.677 13.983 26.152 1.00 31.51 O HETATM 3494 O HOH A 296 44.617 -0.238 34.688 1.00 52.10 O HETATM 3497 O HOH A 297 34.735 7.173 59.311 1.00 54.04 O HETATM 3500 O HOH A 298 39.803 27.700 62.689 1.00 30.03 O HETATM 3503 O AHOH A 299 54.386 19.320 29.621 0.50 13.90 O HETATM 3506 O HOH A 300 25.613 8.979 31.821 1.00 19.75 O HETATM 3509 O HOH A 301 35.101 1.244 49.117 1.00 36.83 O HETATM 3512 O HOH A 302 59.036 5.488 50.958 1.00 49.44 O HETATM 3515 O HOH A 303 43.875 16.104 71.904 1.00 56.16 O HETATM 3518 O HOH A 304 32.712 9.841 57.527 1.00 54.70 O HETATM 3521 O HOH A 305 31.081 23.163 59.157 1.00 33.51 O HETATM 3524 O HOH A 306 40.445 5.016 63.655 1.00 37.61 O HETATM 3527 O HOH A 307 29.380 7.232 35.241 1.00 38.76 O HETATM 3530 O HOH A 308 51.278 15.590 23.346 1.00 50.19 O HETATM 3533 O HOH A 309 54.101 12.481 31.400 1.00 14.83 O HETATM 3536 O HOH A 310 24.645 8.689 34.669 1.00 29.02 O HETATM 3539 O HOH A 311 58.425 6.049 37.398 1.00 56.88 O HETATM 3542 O HOH A 312 44.167 2.627 42.492 1.00 36.76 O HETATM 3545 O HOH A 313 24.132 15.951 46.719 1.00 24.41 O HETATM 3548 O HOH A 314 36.114 27.946 47.242 1.00 31.35 O HETATM 3551 O HOH A 316 57.583 14.244 51.444 1.00 31.47 O HETATM 3554 O HOH A 317 24.607 29.184 52.655 1.00 60.41 O HETATM 3557 O HOH A 318 27.200 24.525 55.186 1.00 49.58 O HETATM 3560 O HOH A 319 53.204 23.700 54.096 1.00 56.13 O HETATM 3563 O HOH A 320 32.997 6.455 62.492 1.00 47.84 O HETATM 3566 O HOH A 321 32.221 28.215 44.168 1.00 24.81 O HETATM 3569 O HOH A 322 32.288 15.746 25.539 1.00 50.45 O HETATM 3572 O HOH A 323 46.943 8.340 26.379 1.00 27.13 O HETATM 3575 O HOH A 324 25.948 2.914 35.990 1.00 65.01 O HETATM 3578 O HOH A 325 42.641 16.426 52.628 1.00 18.56 O HETATM 3581 O HOH A 328 42.242 -1.174 32.161 1.00 54.26 O HETATM 3584 O HOH A 329 37.609 -1.083 34.462 1.00 57.78 O HETATM 3587 O HOH A 330 54.223 8.339 30.151 1.00 50.06 O HETATM 3590 O HOH A 332 40.915 29.717 49.819 1.00 53.22 O HETATM 3593 O HOH A 333 38.136 25.379 56.638 1.00 45.85 O HETATM 3596 O HOH A 334 35.502 -1.517 39.634 1.00 56.55 O HETATM 3599 O HOH A 335 36.785 30.322 58.699 1.00 34.68 O HETATM 3602 O HOH A 336 37.761 27.696 49.440 1.00 60.30 O HETATM 3605 O HOH A 337 41.458 23.634 50.955 1.00 19.14 O HETATM 3608 O HOH A 338 26.195 17.311 58.997 1.00 52.49 O HETATM 3611 O HOH A 339 25.017 14.928 61.462 1.00 52.93 O HETATM 3614 O HOH A 340 21.566 18.007 59.041 1.00 53.07 O HETATM 3617 O HOH A 341 27.649 24.892 35.411 1.00 44.31 O HETATM 3620 O HOH A 342 26.442 27.616 31.991 1.00 44.93 O HETATM 3623 O HOH A 343 22.121 21.708 31.949 1.00 45.43 O HETATM 3626 O HOH A 344 36.068 25.795 33.703 1.00 44.18 O HETATM 3629 O HOH A 345 33.532 27.106 29.819 1.00 57.81 O HETATM 3632 O HOH A 346 39.093 31.727 37.452 1.00 46.96 O HETATM 3635 O HOH A 348 31.520 25.248 60.961 1.00 34.44 O HETATM 3638 O HOH A 349 29.889 27.661 60.134 1.00 35.14 O HETATM 3641 O HOH A 350 55.760 16.684 21.604 1.00 37.99 O HETATM 3644 O HOH A 351 36.931 30.180 55.678 1.00 18.83 O HETATM 3647 O HOH A 352 34.139 26.965 62.767 1.00 57.64 O HETATM 3650 O HOH A 355 51.425 -2.403 29.405 1.00 32.67 O HETATM 3653 O HOH A 356 46.627 -0.199 25.559 1.00 50.56 O HETATM 3656 O HOH A 357 40.821 2.402 37.048 1.00 43.28 O HETATM 3659 O HOH A 358 38.762 2.741 31.720 1.00 25.83 O HETATM 3662 O HOH A 359 56.708 8.402 54.874 1.00 35.50 O HETATM 3665 O HOH A 362 30.887 3.750 38.214 1.00 44.20 O HETATM 3668 O HOH A 363 48.849 26.249 57.884 1.00 37.59 O HETATM 3671 O HOH A 365 59.982 15.464 41.153 1.00 44.32 O HETATM 3674 O HOH A 369 24.833 9.169 65.481 1.00 58.33 O HETATM 3677 O HOH A 370 48.235 4.329 62.272 1.00 51.15 O HETATM 3680 O HOH A 373 37.495 -1.769 58.474 1.00 29.19 O HETATM 3683 O HOH A 374 41.814 -1.987 53.937 1.00 53.82 O HETATM 3686 O HOH A 375 61.618 6.578 51.464 1.00 44.11 O HETATM 3689 O HOH A 376 23.539 12.576 45.784 1.00 25.04 O HETATM 3692 O HOH A 378 45.427 18.062 57.554 1.00 34.60 O HETATM 3695 O HOH A 380 44.739 -2.029 71.184 1.00 24.90 O HETATM 3698 O HOH A 381 41.652 -1.506 71.742 1.00 22.15 O HETATM 3701 O HOH A 382 31.307 29.892 60.960 1.00 55.25 O HETATM 3704 O HOH A 383 57.368 29.373 59.411 1.00 54.79 O HETATM 3707 O HOH A 384 42.463 -0.389 48.742 1.00 52.95 O HETATM 3710 O HOH A 385 48.967 26.264 55.080 1.00 55.71 O HETATM 3713 O HOH A 387 58.398 10.827 51.643 1.00 47.86 O HETATM 3716 O HOH A 390 30.915 13.154 59.772 1.00 47.03 O HETATM 3719 O HOH A 392 57.133 13.209 57.002 1.00 58.08 O HETATM 3722 O HOH A 393 47.999 23.071 25.685 1.00 57.04 O HETATM 3725 O HOH A 394 66.217 16.346 32.405 1.00 56.21 O HETATM 3728 O HOH A 395 62.447 19.854 28.785 1.00 24.75 O HETATM 3731 O HOH A 396 32.997 5.572 36.966 1.00 36.27 O HETATM 3734 O HOH A 397 34.804 25.934 59.661 1.00 41.86 O HETATM 3737 O HOH A 398 59.875 7.400 35.052 1.00 42.92 O HETATM 3740 O HOH A 400 24.383 20.637 52.954 1.00 58.08 O HETATM 3743 O HOH A 401 23.066 30.799 59.647 1.00 40.94 O HETATM 3746 O HOH A 403 58.556 13.482 48.407 1.00 56.08 O HETATM 3749 O HOH A 404 18.509 32.188 60.100 1.00 33.94 O HETATM 3752 O HOH A 405 61.677 12.772 40.123 1.00 56.72 O HETATM 3755 O HOH A 406 17.372 24.623 60.091 1.00 47.14 O HETATM 3758 O HOH A 407 19.859 33.295 56.864 1.00 59.66 O HETATM 3761 O HOH A 408 57.210 13.143 23.967 1.00 56.31 O HETATM 3764 O HOH A 413 44.889 29.650 52.764 1.00 57.71 O HETATM 3767 O HOH A 414 46.203 25.110 54.273 1.00 55.14 O HETATM 3770 O HOH A 415 46.782 29.800 47.174 1.00 58.89 O HETATM 3773 O HOH A 416 38.408 28.143 60.421 1.00 56.22 O HETATM 3776 O HOH A 423 26.424 -0.008 39.625 1.00 55.57 O HETATM 3779 O HOH A 425 47.145 3.520 64.599 1.00 55.09 O HETATM 3782 O HOH A 429 36.921 5.786 68.086 1.00 55.07 O HETATM 3785 O HOH A 431 43.426 16.849 68.497 1.00 53.63 O HETATM 3788 O HOH A 432 41.412 19.196 69.724 1.00 60.42 O HETATM 3791 O HOH A 434 42.595 2.492 69.399 1.00 58.79 O HETATM 3794 O HOH A 435 42.002 2.504 66.369 1.00 68.57 O HETATM 3797 O HOH A 436 44.402 13.228 70.991 1.00 62.80 O HETATM 3800 O HOH A 437 59.989 5.103 48.313 1.00 53.46 O HETATM 3803 O HOH A 439 25.029 30.446 55.655 1.00 61.04 O HETATM 3806 O HOH A 440 20.351 29.678 59.389 1.00 45.34 O HETATM 3809 O HOH A 441 21.409 28.496 51.040 1.00 58.13 O HETATM 3812 O HOH A 442 22.001 24.001 51.817 1.00 45.10 O HETATM 3815 O HOH A 443 19.121 27.146 55.277 1.00 56.84 O HETATM 3818 O HOH A 445 35.713 30.869 43.714 1.00 58.99 O HETATM 3821 O HOH A 446 40.712 31.546 34.930 1.00 51.75 O HETATM 3824 O HOH A 447 44.169 28.391 30.740 1.00 54.61 O HETATM 3827 O HOH A 448 23.731 24.414 31.297 1.00 52.64 O HETATM 3830 O HOH A 449 33.704 6.857 65.329 1.00 63.04 O HETATM 3833 O HOH A 452 48.578 24.057 52.607 1.00 34.85 O HETATM 3836 O HOH A 453 61.129 13.566 43.083 1.00 53.70 O HETATM 3839 O HOH A 455 59.411 8.384 53.455 1.00 61.12 O HETATM 3842 O HOH A 456 63.429 9.363 47.330 1.00 49.83 O HETATM 3845 O HOH A 457 62.670 14.090 50.431 1.00 36.31 O HETATM 3848 O HOH A 466 28.215 29.732 56.764 1.00 56.16 O HETATM 3851 O HOH A 471 36.626 32.522 30.673 1.00 60.31 O HETATM 3854 O BHOH A 479 54.376 21.478 30.542 0.50 47.50 O HETATM 3857 O HOH A 489 25.148 23.443 33.633 1.00 50.24 O HETATM 3860 O HOH A 490 49.830 -0.161 32.167 1.00 54.27 O HETATM 3863 O HOH A 500 65.628 3.323 26.890 1.00 51.60 O HETATM 3866 O HOH A 501 24.059 9.025 46.360 1.00 58.39 O HETATM 3869 O HOH A 505 48.322 1.575 33.937 1.00 55.34 O HETATM 3872 O HOH A 512 26.403 22.667 58.055 1.00 37.68 O HETATM 3875 O HOH A 523 46.221 2.154 40.730 1.00 48.32 O HETATM 3878 O HOH A 524 49.371 9.668 21.539 1.00 59.89 O HETATM 3881 O HOH A 527 69.266 6.711 36.651 1.00 51.71 O HETATM 3884 O HOH A 528 26.185 35.997 54.340 1.00 57.62 O HETATM 3887 O HOH A 529 37.923 -0.369 72.350 1.00 51.70 O HETATM 3890 O HOH A 532 46.442 30.984 43.837 1.00 54.41 O HETATM 3893 O HOH A 533 40.242 14.330 22.500 1.00 41.27 O HETATM 3896 O HOH A 536 31.891 31.961 47.589 1.00 42.18 O HETATM 3899 O HOH A 538 23.065 5.530 43.744 1.00 55.13 O HETATM 3902 O HOH A 542 39.279 30.118 47.489 1.00 44.79 O HETATM 3905 O HOH A 547 32.617 5.428 59.192 1.00 49.28 O HETATM 3908 O HOH A 550 24.415 7.399 49.532 1.00 55.58 O HETATM 3911 O HOH A 553 23.946 34.479 58.652 1.00 45.56 O HETATM 3914 O HOH A 580 41.255 0.638 34.808 1.00 46.75 O HETATM 3917 O HOH A 582 20.075 20.831 25.552 1.00 44.58 O HETATM 3920 O HOH A 584 27.657 10.994 64.019 1.00 44.83 O HETATM 3923 O HOH A 589 48.385 13.186 74.259 1.00 47.76 O HETATM 3926 O HOH A 590 41.374 25.240 74.341 1.00 46.46 O HETATM 3929 O HOH A 594 31.060 2.035 36.021 1.00 45.99 O HETATM 3932 O HOH A 595 13.060 15.136 47.754 1.00 46.92 O HETATM 3935 O HOH A 598 30.796 29.831 58.078 1.00 43.57 O HETATM 3938 O HOH A 602 42.313 6.412 20.553 1.00 46.94 O HETATM 3941 O HOH A 604 42.654 6.721 17.928 1.00 50.15 O HETATM 3944 O HOH A 605 40.266 27.073 68.682 1.00 48.21 O HETATM 3947 O HOH A 606 28.780 2.023 39.868 1.00 51.60 O HETATM 3950 O HOH A 612 59.411 17.313 45.830 1.00 42.63 O HETATM 3953 O HOH A 620 14.692 19.173 47.804 1.00 47.73 O HETATM 3956 O HOH A 621 34.799 31.441 46.441 1.00 47.80 O HETATM 3959 O HOH A 630 42.999 32.531 41.706 1.00 44.81 O HETATM 3962 O HOH A 634 64.322 11.231 40.541 1.00 45.64 O HETATM 3965 O HOH A 643 41.522 11.045 68.434 1.00 43.36 O HETATM 3968 O HOH A 648 43.642 3.936 21.711 1.00 42.87 O HETATM 3971 O HOH A 658 45.308 3.717 18.979 1.00 41.59 O HETATM 3974 O HOH A 681 54.505 3.432 58.086 1.00 44.56 O CONECT 92 2057 CONECT 200 3309 CONECT 361 585 CONECT 572 3310 CONECT 585 361 CONECT 783 3308 CONECT 806 3308 CONECT 853 3308 CONECT 926 3308 CONECT 1673 3084 CONECT 1752 2684 CONECT 1798 3309 CONECT 2057 92 CONECT 2215 2427 CONECT 2427 2215 CONECT 2568 2872 CONECT 2600 3309 CONECT 2614 3310 CONECT 2684 1752 CONECT 2872 2568 CONECT 3084 1673 CONECT 3308 783 806 853 926 CONECT 3308 3419 3533 CONECT 3309 200 1798 2600 3359 CONECT 3310 572 2614 3322 3334 CONECT 3311 3312 3316 3317 CONECT 3312 3311 3313 3337 CONECT 3313 3312 3314 3338 CONECT 3314 3313 3315 3322 CONECT 3315 3314 3316 3323 CONECT 3316 3311 3315 3339 CONECT 3317 3311 3320 3321 CONECT 3318 3319 3322 3323 CONECT 3319 3318 3331 3336 CONECT 3320 3317 3340 3341 CONECT 3321 3317 3342 3343 CONECT 3322 3310 3314 3318 CONECT 3323 3315 3318 3344 CONECT 3324 3325 3329 3330 CONECT 3325 3324 3326 3345 CONECT 3326 3325 3327 3346 CONECT 3327 3326 3328 3334 CONECT 3328 3327 3329 3335 CONECT 3329 3324 3328 3347 CONECT 3330 3324 3332 3333 CONECT 3331 3319 3334 3335 CONECT 3332 3330 3348 3349 CONECT 3333 3330 3350 3351 CONECT 3334 3310 3327 3331 CONECT 3335 3328 3331 3352 CONECT 3336 3319 CONECT 3337 3312 CONECT 3338 3313 CONECT 3339 3316 CONECT 3340 3320 CONECT 3341 3320 CONECT 3342 3321 CONECT 3343 3321 CONECT 3344 3323 CONECT 3345 3325 CONECT 3346 3326 CONECT 3347 3329 CONECT 3348 3332 CONECT 3349 3332 CONECT 3350 3333 CONECT 3351 3333 CONECT 3352 3335 CONECT 3359 3309 CONECT 3419 3308 CONECT 3533 3308 END