USER MOD reduce.3.24.130724 H: found=0, std=0, add=1662, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 2122 hydrogens (479 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2D 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, HYDROLASE- KEYWDS 3 HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.A.KATZ,C.LUONG REVDAT 4 02-MAR-10 1C2D 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2D 1 VERSN REVDAT 2 26-SEP-01 1C2D 3 ATOM REVDAT 1 26-JUL-00 1C2D 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) (%) : 64.0 REMARK 3 NUMBER OF REFLECTIONS : 15458 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) : 0.193 REMARK 3 FREE R VALUE : 0.211 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1464 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) (%) : 38.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 989 REMARK 3 BIN R VALUE (WORKING SET) : 0.3760 REMARK 3 BIN FREE R VALUE : 0.4330 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 90 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 : 3300 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 45 REMARK 3 SOLVENT ATOMS : 696 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) : 0.017 REMARK 3 BOND ANGLES (DEGREES) : 3.90 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.70 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_KBZN993.PRO REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZN993.PRO REMARK 3 TOPOLOGY FILE 2 : 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 1C2D 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 RCSB001250. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-FEB-97 REMARK 200 TEMPERATURE (KELVIN) : 298.00 REMARK 200 PH : 9.93 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 : 18454 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.380 REMARK 200 RESOLUTION RANGE LOW (A) : 54.870 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 64.0 REMARK 200 DATA REDUNDANCY : 2.800 REMARK 200 R MERGE (I) : 0.10700 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 (%) : 38.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.25300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER PLUS REMARK 200 REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR, QUANTA, INSIGHTII REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BATCH, 1.51 M MGSO4.7H2O, 0.59 MM REMARK 280 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 9.93 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 36.58333 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 73.16667 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 73.16667 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 36.58333 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 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 H1 HOH A 299 H2 HOH A 479 1.34 REMARK 500 OG SER A 49 H2 HOH A 286 1.45 REMARK 500 OE1 GLN A 192 H1 HOH A 452 1.51 REMARK 500 O GLY A 216 H2 HOH A 720 1.51 REMARK 500 OH TYR A 94 H2 HOH A 314 1.52 REMARK 500 HD21 ASN A 48 H GLN A 50 1.52 REMARK 500 O LEU A 108 H1 HOH A 322 1.54 REMARK 500 OH TYR A 29 H2 HOH A 280 1.55 REMARK 500 OE1 GLN A 210 H1 HOH A 301 1.56 REMARK 500 OG SER A 236 H2 HOH A 376 1.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 H1 HOH A 797 H1 HOH A 797 6765 1.10 REMARK 500 H1 HOH A 300 O LYS A 169 3664 1.34 REMARK 500 O THR A 125 HG SER A 217 4546 1.35 REMARK 500 H2 HOH A 321 O HOH A 395 5565 1.47 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 -0.080 REMARK 500 HIS A 91 NE2 HIS A 91 CD2 -0.072 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. = -7.1 DEGREES REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 9.6 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CZ2 ANGL. DEV. = 7.3 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -7.7 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 9.0 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 CYS A 182 CA - CB - SG ANGL. DEV. = 9.0 DEGREES REMARK 500 VAL A 199 N - CA - C ANGL. DEV. = -16.2 DEGREES REMARK 500 TRP A 215 CG - CD1 - NE1 ANGL. DEV. = -6.0 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 7.4 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 TRP A 237 NE1 - CE2 - CZ2 ANGL. DEV. = 7.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 71 -73.83 -143.66 REMARK 500 SER A 195 128.49 -34.78 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 0.14 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 311 DISTANCE = 7.57 ANGSTROMS REMARK 525 HOH A 340 DISTANCE = 5.65 ANGSTROMS REMARK 525 HOH A 342 DISTANCE = 5.41 ANGSTROMS REMARK 525 HOH A 355 DISTANCE = 5.23 ANGSTROMS REMARK 525 HOH A 380 DISTANCE = 12.74 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 11.43 ANGSTROMS REMARK 525 HOH A 383 DISTANCE = 7.60 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.46 ANGSTROMS REMARK 525 HOH A 404 DISTANCE = 12.77 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.38 ANGSTROMS REMARK 525 HOH A 440 DISTANCE = 10.03 ANGSTROMS REMARK 525 HOH A 443 DISTANCE = 9.33 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 11.32 ANGSTROMS REMARK 525 HOH A 553 DISTANCE = 9.39 ANGSTROMS REMARK 525 HOH A 582 DISTANCE = 6.58 ANGSTROMS REMARK 525 HOH A 604 DISTANCE = 6.56 ANGSTROMS REMARK 525 HOH A 605 DISTANCE = 7.20 ANGSTROMS REMARK 525 HOH A 634 DISTANCE = 7.28 ANGSTROMS REMARK 525 HOH A 648 DISTANCE = 5.04 ANGSTROMS REMARK 525 HOH A 658 DISTANCE = 7.31 ANGSTROMS REMARK 525 HOH A 693 DISTANCE = 5.50 ANGSTROMS REMARK 525 HOH A 705 DISTANCE = 8.36 ANGSTROMS REMARK 525 HOH A 724 DISTANCE = 7.18 ANGSTROMS REMARK 525 HOH A 735 DISTANCE = 5.45 ANGSTROMS REMARK 525 HOH A 736 DISTANCE = 6.66 ANGSTROMS REMARK 525 HOH A 757 DISTANCE = 6.97 ANGSTROMS REMARK 525 HOH A 766 DISTANCE = 8.82 ANGSTROMS REMARK 525 HOH A 797 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH A 798 DISTANCE = 5.53 ANGSTROMS REMARK 525 HOH A 801 DISTANCE = 7.94 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 67.5 REMARK 620 3 GLU A 70 OE1 86.7 109.4 REMARK 620 4 ASN A 72 O 82.6 148.6 76.8 REMARK 620 5 HOH A 271 O 161.5 97.2 89.0 113.9 REMARK 620 6 VAL A 75 O 99.5 88.2 162.4 87.6 89.9 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 263 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN A 30 OE1 REMARK 620 2 SER A 139 O 85.5 REMARK 620 3 ASP A 194 O 148.0 112.3 REMARK 620 4 HOH A 250 O 89.9 123.9 100.4 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 103.3 REMARK 620 3 BAK A 246 N3' 105.7 72.1 REMARK 620 4 HIS A 57 NE2 106.5 136.1 127.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 410 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 452 O REMARK 620 2 BAK A 246 O9 91.0 REMARK 620 3 BAK A 246 N4 81.5 63.1 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 263 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BAK A 246 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2E 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 1C2D A 16 245 UNP P00760 TRY1_BOVIN 21 243 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 247 1 HET MG A 263 1 HET ZN A 409 1 HET ZN A 410 1 HET BAK A 246 41 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 2(ZN 2+) FORMUL 6 BAK C17 H16 N8 O 2+ FORMUL 7 HOH *232(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 VAL A 231 ASN A 233 5 3 HELIX 4 4 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 THR A 229 -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 1.96 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.02 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 2.01 LINK CA CA A 247 O HOH A 309 1555 1555 2.43 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.63 LINK CA CA A 247 OE1 GLU A 70 1555 1555 2.43 LINK CA CA A 247 O ASN A 72 1555 1555 2.37 LINK CA CA A 247 O HOH A 271 1555 1555 2.36 LINK CA CA A 247 O VAL A 75 1555 1555 2.25 LINK MG MG A 263 OE1 GLN A 30 1555 1555 3.08 LINK MG MG A 263 O SER A 139 1555 1555 2.65 LINK MG MG A 263 O ASP A 194 1555 1555 2.85 LINK MG MG A 263 O HOH A 250 1555 1555 2.78 LINK ZN ZN A 409 OG SER A 195 1555 1555 2.40 LINK ZN ZN A 409 N3 BAK A 246 1555 1555 2.44 LINK ZN ZN A 409 N3' BAK A 246 1555 1555 2.38 LINK ZN ZN A 409 NE2 HIS A 57 1555 1555 2.35 LINK ZN ZN A 410 O HOH A 452 1555 1555 2.72 LINK ZN ZN A 410 O9 BAK A 246 1555 1555 2.71 LINK ZN ZN A 410 N4 BAK A 246 1555 1555 2.49 SITE *** AC1 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE *** AC1 6 HOH A 271 HOH A 309 SITE *** AC2 6 GLN A 30 SER A 139 GLY A 140 ASP A 194 SITE *** AC2 6 GLY A 197 HOH A 250 SITE *** AC3 3 HIS A 57 SER A 195 BAK A 246 SITE *** AC4 3 BAK A 246 HOH A 452 HOH A 720 SITE *** AC5 17 ASP A 189 SER A 190 CYS A 191 GLN A 192 SITE *** AC5 17 VAL A 213 TRP A 215 GLY A 216 GLY A 219 SITE *** AC5 17 GLY A 226 HOH A 320 HOH A 327 HOH A 378 SITE *** AC5 17 ZN A 409 ZN A 410 HOH A 489 HOH A 582 SITE *** AC5 17 HOH A 802 CRYST1 54.940 54.940 109.750 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 0.018202 0.010509 0.000000 0.00000 SCALE2 0.000000 0.021017 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009112 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 Set 1.1: A 151 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 192 GLN : amide:sc=-0.00719 X(o=-0.0072,f=-0.4) USER MOD Set 2.1: A 190 SER OG : rot -104:sc= 1.22 USER MOD Set 2.2: A 228 TYR OH : rot -30:sc= 1.99 USER MOD Set 3.1: A 164 SER OG : rot 122:sc= 1.41 USER MOD Set 3.2: A 166 SER OG : rot 180:sc= 0.275 USER MOD Set 3.3: A 167 SER OG : rot -103:sc= 0.626 USER MOD Set 4.1: A 144 THR OG1 : rot 120:sc= -0.828 USER MOD Set 4.2: A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 30 GLN : amide:sc= -1.34 K(o=-2.2,f=2.9) USER MOD Set 5.2: A 139 SER OG : rot -100:sc= -0.812 USER MOD Set 6.1: A 101 ASN : amide:sc= 1.99 K(o=1.3,f=-0.81) USER MOD Set 6.2: A 234 TYR OH : rot 7:sc= -0.717! USER MOD Set 7.1: A 100 ASN : amide:sc= 0.738 K(o=2.7,f=-0.26) USER MOD Set 7.2: A 177 THR OG1 : rot 178:sc= 0.611 USER MOD Set 7.3: A 179 ASN : amide:sc= 0.737 K(o=2.7,f=1.2) USER MOD Set 7.4: A 233 ASN : amide:sc= 0.584 K(o=2.7,f=1.2) USER MOD Set 8.1: A 87 LYS NZ :NH3+ -155:sc= 0.283 (180deg=0) USER MOD Set 8.2: A 245 ASN : amide:sc= 1.12 K(o=1.4,f=-2.6) USER MOD Set 9.1: A 59 TYR OH : rot 89:sc= 0.0155 USER MOD Set 9.2: A 61 SER OG C: rot 180:sc= 0.0141 USER MOD Set10.1: A 37 SER OG : rot -91:sc= 0.185 USER MOD Set10.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set10.3: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set11.1: A 32 SER OG : rot 86:sc= 2.47 USER MOD Set11.2: A 40 HIS : no HD1:sc= 1.15 K(o=3.6,f=-5.1!) USER MOD Set12.1: A 21 THR OG1 : rot 118:sc= 0.478 USER MOD Set12.2: A 156 LYS NZ :NH3+ 176:sc= 0.513 (180deg=0) USER MOD Set13.1: A 20 TYR OH : rot 15:sc= 0.331 USER MOD Set13.2: A 159 LYS NZ :NH3+ -167:sc= 0.676 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.921 K(o=-0.92,f=0.7) USER MOD Single : A 26 THR OG1 : rot -98:sc= 1.14 USER MOD Single : A 29 TYR OH : rot 25:sc= 2.52 USER MOD Single : A 34 ASN : amide:sc= 0.554 K(o=0.55,f=-3.6!) USER MOD Single : A 45 SER OG : rot -3:sc= -1.74! USER MOD Single : A 48 ASN : amide:sc= -8.35! K(o=-8.3!,f=-0.5) USER MOD Single : A 49 SER OG A: rot -112:sc= 1.45 USER MOD Single : A 49 SER OG B: rot 115:sc= 1.59 USER MOD Single : A 50 GLN : amide:sc= 0.404 X(o=0.4,f=0.62) USER MOD Single : A 54 SER OG : rot 94:sc= 0.823 USER MOD Single : A 57 HIS : no HE2:sc= -0.704 K(o=-0.7,f=-5!) USER MOD Single : A 61 SER OG A: rot 180:sc= 0 USER MOD Single : A 61 SER OG B: rot 61:sc= 0.0346 USER MOD Single : A 64 GLN : amide:sc= 0.0213 K(o=0.021,f=-5.1!) USER MOD Single : A 72 ASN : amide:sc= 0.178 K(o=0.18,f=-9.8!) USER MOD Single : A 74 ASN : amide:sc= 0.523 K(o=0.52,f=-2.4!) USER MOD Single : A 79 ASN : amide:sc= -2.47 K(o=-2.5,f=-4.2) USER MOD Single : A 81 GLN : amide:sc= 1.12 K(o=1.1,f=-3.9!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -119:sc= 0.145 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0.527 K(o=0.53,f=-7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -51:sc= 1.51 USER MOD Single : A 95 ASN : amide:sc= -0.614 K(o=-0.61,f=-9.2!) USER MOD Single : A 96 SER OG : rot -145:sc= 0.197 USER MOD Single : A 97 ASN : amide:sc= -0.866 K(o=-0.87,f=-0.086) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0053 USER MOD Single : A 104 MET CE A:methyl -130:sc= 0 (180deg=-1.2) USER MOD Single : A 104 MET CE B:methyl -139:sc= -1.76 (180deg=-4.02!) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 1.19 (180deg=1.09) 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= 0.662 K(o=0.66,f=-5.4!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 120 SER OG : rot -99:sc= 0.2 USER MOD Single : A 122 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 100:sc= 1.03 USER MOD Single : A 135 GLN : amide:sc= -0.792 K(o=-0.79,f=-1.5!) USER MOD Single : A 143 ASN : amide:sc= 0.413 K(o=0.41,f=-7.6!) USER MOD Single : A 146 SER OG : rot 180:sc= 0.056 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc=-0.00554 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG A: rot 140:sc= -0.526 USER MOD Single : A 170 SER OG B: rot 86:sc= 1.22 USER MOD Single : A 172 TYR OH : rot 18:sc= 0.531 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 180 MET CE :methyl -120:sc= 0 (180deg=-0.168) USER MOD Single : A 184 TYR OH : rot 12:sc= 0.0199 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 SER OG : rot 180:sc= 0.0813 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= -0.401 X(o=-0.4,f=-0.02) USER MOD Single : A 214 SER OG : rot 75:sc= 2.14 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 221 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.18) USER MOD Single : A 224 LYS NZ A:NH3+ 180:sc=0.000533 (180deg=0.000533) USER MOD Single : A 224 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 THR OG1 : rot -167:sc= 0.618 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc= 0.0456 USER MOD Single : A 236 SER OG B: rot 72:sc= 1.13 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=-0.016) USER MOD Single : A 241 THR OG1 : rot 93:sc= 0.77 USER MOD Single : A 244 SER OG : rot 91:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.505 15.671 48.506 1.00 19.90 N ATOM 2 CA ILE A 16 51.349 14.455 49.341 1.00 19.69 C ATOM 3 C ILE A 16 52.571 14.560 50.222 1.00 21.33 C ATOM 4 O ILE A 16 53.624 14.793 49.670 1.00 22.90 O ATOM 5 CB ILE A 16 51.452 13.171 48.492 1.00 18.72 C ATOM 6 CG1 ILE A 16 50.333 13.059 47.436 1.00 18.64 C ATOM 7 CG2 ILE A 16 51.539 11.854 49.365 1.00 17.94 C ATOM 8 CD1 ILE A 16 48.986 12.704 48.116 1.00 19.09 C ATOM 0 HA ILE A 16 50.497 14.405 49.801 1.00 19.69 H new ATOM 0 HB ILE A 16 52.293 13.254 48.016 1.00 18.72 H new ATOM 0 HG12 ILE A 16 50.249 13.897 46.955 1.00 18.64 H new ATOM 0 HG13 ILE A 16 50.562 12.379 46.783 1.00 18.64 H new ATOM 0 HG21 ILE A 16 51.602 11.082 48.781 1.00 17.94 H new ATOM 0 HG22 ILE A 16 52.324 11.894 49.933 1.00 17.94 H new ATOM 0 HG23 ILE A 16 50.745 11.778 49.916 1.00 17.94 H new ATOM 0 HD11 ILE A 16 48.291 12.636 47.443 1.00 19.09 H new ATOM 0 HD12 ILE A 16 49.071 11.856 48.579 1.00 19.09 H new ATOM 0 HD13 ILE A 16 48.752 13.397 48.753 1.00 19.09 H new ATOM 22 N VAL A 17 52.430 14.388 51.495 1.00 21.84 N ATOM 23 CA VAL A 17 53.613 14.484 52.390 1.00 22.78 C ATOM 24 C VAL A 17 53.736 13.084 52.932 1.00 23.86 C ATOM 25 O VAL A 17 52.701 12.541 53.273 1.00 24.01 O ATOM 26 CB VAL A 17 53.343 15.451 53.532 1.00 18.10 C ATOM 27 CG1 VAL A 17 54.627 15.616 54.324 1.00 18.03 C ATOM 28 CG2 VAL A 17 52.902 16.812 52.983 1.00 19.40 C ATOM 0 H VAL A 17 51.685 14.216 51.889 1.00 21.84 H new ATOM 0 HA VAL A 17 54.409 14.803 51.936 1.00 22.78 H new ATOM 0 HB VAL A 17 52.635 15.104 54.097 1.00 18.10 H new ATOM 0 HG11 VAL A 17 54.477 16.231 55.059 1.00 18.03 H new ATOM 0 HG12 VAL A 17 54.904 14.755 54.674 1.00 18.03 H new ATOM 0 HG13 VAL A 17 55.321 15.968 53.745 1.00 18.03 H new ATOM 0 HG21 VAL A 17 52.733 17.419 53.720 1.00 19.40 H new ATOM 0 HG22 VAL A 17 53.602 17.176 52.419 1.00 19.40 H new ATOM 0 HG23 VAL A 17 52.091 16.704 52.462 1.00 19.40 H new ATOM 38 N GLY A 18 54.955 12.604 52.980 1.00 27.84 N ATOM 39 CA GLY A 18 55.300 11.243 53.485 1.00 25.95 C ATOM 40 C GLY A 18 54.754 10.122 52.601 1.00 29.51 C ATOM 41 O GLY A 18 54.521 9.031 53.099 1.00 34.23 O ATOM 0 H GLY A 18 55.641 13.052 52.719 1.00 27.84 H new ATOM 0 HA2 GLY A 18 56.265 11.160 53.544 1.00 25.95 H new ATOM 0 HA3 GLY A 18 54.950 11.139 54.384 1.00 25.95 H new ATOM 45 N GLY A 19 54.595 10.387 51.333 1.00 26.99 N ATOM 46 CA GLY A 19 54.057 9.356 50.403 1.00 24.67 C ATOM 47 C GLY A 19 55.209 8.946 49.536 1.00 23.34 C ATOM 48 O GLY A 19 56.314 9.391 49.822 1.00 26.74 O ATOM 0 H GLY A 19 54.782 11.142 50.967 1.00 26.99 H new ATOM 0 HA2 GLY A 19 53.703 8.597 50.892 1.00 24.67 H new ATOM 0 HA3 GLY A 19 53.330 9.714 49.870 1.00 24.67 H new ATOM 52 N TYR A 20 54.942 8.150 48.529 1.00 23.95 N ATOM 53 CA TYR A 20 55.995 7.653 47.575 1.00 23.49 C ATOM 54 C TYR A 20 55.649 7.925 46.119 1.00 23.47 C ATOM 55 O TYR A 20 54.583 8.418 45.821 1.00 23.47 O ATOM 56 CB TYR A 20 56.175 6.155 47.791 1.00 23.24 C ATOM 57 CG TYR A 20 54.853 5.436 47.594 1.00 22.49 C ATOM 58 CD1 TYR A 20 54.535 4.880 46.395 1.00 23.74 C ATOM 59 CD2 TYR A 20 53.959 5.329 48.630 1.00 24.52 C ATOM 60 CE1 TYR A 20 53.343 4.226 46.240 1.00 25.16 C ATOM 61 CE2 TYR A 20 52.774 4.678 48.480 1.00 22.68 C ATOM 62 CZ TYR A 20 52.449 4.119 47.293 1.00 23.68 C ATOM 63 OH TYR A 20 51.249 3.456 47.163 1.00 28.31 O ATOM 0 H TYR A 20 54.151 7.863 48.352 1.00 23.95 H new ATOM 0 HA TYR A 20 56.817 8.134 47.760 1.00 23.49 H new ATOM 0 HB2 TYR A 20 56.835 5.809 47.170 1.00 23.24 H new ATOM 0 HB3 TYR A 20 56.512 5.988 48.685 1.00 23.24 H new ATOM 0 HD1 TYR A 20 55.127 4.944 45.681 1.00 23.74 H new ATOM 0 HD2 TYR A 20 54.168 5.710 49.452 1.00 24.52 H new ATOM 0 HE1 TYR A 20 53.130 3.848 45.417 1.00 25.16 H new ATOM 0 HE2 TYR A 20 52.185 4.617 49.197 1.00 22.68 H new ATOM 0 HH TYR A 20 51.261 2.988 46.466 1.00 28.31 H new ATOM 73 N THR A 21 56.551 7.587 45.256 1.00 26.64 N ATOM 74 CA THR A 21 56.315 7.811 43.809 1.00 26.78 C ATOM 75 C THR A 21 55.501 6.576 43.358 1.00 27.35 C ATOM 76 O THR A 21 55.928 5.435 43.439 1.00 26.00 O ATOM 77 CB THR A 21 57.708 7.912 43.135 1.00 23.91 C ATOM 78 OG1 THR A 21 58.377 8.974 43.833 1.00 24.84 O ATOM 79 CG2 THR A 21 57.615 8.365 41.678 1.00 24.01 C ATOM 0 H THR A 21 57.308 7.229 45.452 1.00 26.64 H new ATOM 0 HA THR A 21 55.830 8.619 43.581 1.00 26.78 H new ATOM 0 HB THR A 21 58.147 7.048 43.164 1.00 23.91 H new ATOM 0 HG1 THR A 21 59.062 8.671 44.214 1.00 24.84 H new ATOM 0 HG21 THR A 21 58.506 8.414 41.297 1.00 24.01 H new ATOM 0 HG22 THR A 21 57.083 7.729 41.175 1.00 24.01 H new ATOM 0 HG23 THR A 21 57.197 9.239 41.637 1.00 24.01 H new ATOM 87 N CYS A 22 54.323 6.881 42.886 1.00 28.11 N ATOM 88 CA CYS A 22 53.361 5.851 42.393 1.00 26.01 C ATOM 89 C CYS A 22 53.930 4.949 41.306 1.00 26.03 C ATOM 90 O CYS A 22 53.886 3.739 41.348 1.00 28.99 O ATOM 91 CB CYS A 22 52.149 6.545 41.832 1.00 21.88 C ATOM 92 SG CYS A 22 51.273 7.700 42.915 1.00 22.80 S ATOM 0 H CYS A 22 54.030 7.687 42.830 1.00 28.11 H new ATOM 0 HA CYS A 22 53.147 5.289 43.154 1.00 26.01 H new ATOM 0 HB2 CYS A 22 52.422 7.029 41.037 1.00 21.88 H new ATOM 0 HB3 CYS A 22 51.519 5.864 41.548 1.00 21.88 H new ATOM 97 N GLY A 23 54.444 5.606 40.339 1.00 23.39 N ATOM 98 CA GLY A 23 55.039 4.938 39.182 1.00 24.50 C ATOM 99 C GLY A 23 54.221 5.548 38.051 1.00 24.86 C ATOM 100 O GLY A 23 53.077 5.920 38.212 1.00 22.74 O ATOM 0 H GLY A 23 54.473 6.465 40.306 1.00 23.39 H new ATOM 0 HA2 GLY A 23 55.986 5.127 39.095 1.00 24.50 H new ATOM 0 HA3 GLY A 23 54.945 3.974 39.225 1.00 24.50 H new ATOM 104 N ALA A 24 54.832 5.636 36.916 1.00 25.92 N ATOM 105 CA ALA A 24 54.163 6.210 35.740 1.00 24.31 C ATOM 106 C ALA A 24 52.925 5.420 35.371 1.00 26.53 C ATOM 107 O ALA A 24 52.949 4.214 35.226 1.00 25.08 O ATOM 108 CB ALA A 24 55.139 6.212 34.553 1.00 23.70 C ATOM 0 H ALA A 24 55.640 5.375 36.779 1.00 25.92 H new ATOM 0 HA ALA A 24 53.892 7.116 35.955 1.00 24.31 H new ATOM 0 HB1 ALA A 24 54.701 6.590 33.774 1.00 23.70 H new ATOM 0 HB2 ALA A 24 55.919 6.745 34.776 1.00 23.70 H new ATOM 0 HB3 ALA A 24 55.414 5.302 34.359 1.00 23.70 H new ATOM 114 N ASN A 25 51.879 6.168 35.222 1.00 25.92 N ATOM 115 CA ASN A 25 50.532 5.655 34.857 1.00 27.17 C ATOM 116 C ASN A 25 50.042 4.469 35.693 1.00 27.31 C ATOM 117 O ASN A 25 49.362 3.559 35.228 1.00 24.40 O ATOM 118 CB ASN A 25 50.573 5.268 33.383 1.00 26.95 C ATOM 119 CG ASN A 25 51.130 6.443 32.544 1.00 24.48 C ATOM 120 OD1 ASN A 25 50.551 7.501 32.474 1.00 22.73 O ATOM 121 ND2 ASN A 25 52.243 6.328 31.885 1.00 21.52 N ATOM 0 H ASN A 25 51.900 7.021 35.327 1.00 25.92 H new ATOM 0 HA ASN A 25 49.896 6.364 35.039 1.00 27.17 H new ATOM 0 HB2 ASN A 25 51.129 4.482 33.262 1.00 26.95 H new ATOM 0 HB3 ASN A 25 49.682 5.035 33.077 1.00 26.95 H new ATOM 0 HD21 ASN A 25 52.540 6.990 31.423 1.00 21.52 H new ATOM 0 HD22 ASN A 25 52.684 5.590 31.911 1.00 21.52 H new ATOM 128 N THR A 26 50.379 4.501 36.949 1.00 26.41 N ATOM 129 CA THR A 26 49.939 3.387 37.822 1.00 24.45 C ATOM 130 C THR A 26 48.557 3.748 38.399 1.00 23.99 C ATOM 131 O THR A 26 47.852 2.882 38.886 1.00 23.63 O ATOM 132 CB THR A 26 51.020 3.215 38.926 1.00 26.27 C ATOM 133 OG1 THR A 26 51.158 4.539 39.463 1.00 25.94 O ATOM 134 CG2 THR A 26 52.384 2.730 38.312 1.00 25.00 C ATOM 0 H THR A 26 50.842 5.118 37.329 1.00 26.41 H new ATOM 0 HA THR A 26 49.848 2.547 37.346 1.00 24.45 H new ATOM 0 HB THR A 26 50.775 2.552 39.590 1.00 26.27 H new ATOM 0 HG1 THR A 26 51.819 4.918 39.109 1.00 25.94 H new ATOM 0 HG21 THR A 26 53.040 2.631 39.019 1.00 25.00 H new ATOM 0 HG22 THR A 26 52.255 1.877 37.869 1.00 25.00 H new ATOM 0 HG23 THR A 26 52.700 3.383 37.668 1.00 25.00 H new ATOM 142 N VAL A 27 48.209 5.006 38.333 1.00 20.19 N ATOM 143 CA VAL A 27 46.909 5.502 38.856 1.00 18.57 C ATOM 144 C VAL A 27 46.175 6.125 37.646 1.00 19.78 C ATOM 145 O VAL A 27 46.051 7.327 37.533 1.00 19.06 O ATOM 146 CB VAL A 27 47.209 6.546 39.941 1.00 17.29 C ATOM 147 CG1 VAL A 27 45.942 6.963 40.655 1.00 16.58 C ATOM 148 CG2 VAL A 27 48.152 5.954 40.982 1.00 17.72 C ATOM 0 H VAL A 27 48.704 5.618 37.987 1.00 20.19 H new ATOM 0 HA VAL A 27 46.358 4.809 39.252 1.00 18.57 H new ATOM 0 HB VAL A 27 47.611 7.315 39.506 1.00 17.29 H new ATOM 0 HG11 VAL A 27 46.155 7.622 41.335 1.00 16.58 H new ATOM 0 HG12 VAL A 27 45.322 7.348 40.016 1.00 16.58 H new ATOM 0 HG13 VAL A 27 45.536 6.188 41.073 1.00 16.58 H new ATOM 0 HG21 VAL A 27 48.338 6.617 41.665 1.00 17.72 H new ATOM 0 HG22 VAL A 27 47.737 5.178 41.390 1.00 17.72 H new ATOM 0 HG23 VAL A 27 48.981 5.689 40.554 1.00 17.72 H new ATOM 158 N PRO A 28 45.700 5.297 36.769 1.00 17.82 N ATOM 159 CA PRO A 28 45.248 5.744 35.441 1.00 16.00 C ATOM 160 C PRO A 28 43.965 6.632 35.447 1.00 13.60 C ATOM 161 O PRO A 28 43.593 7.171 34.425 1.00 15.74 O ATOM 162 CB PRO A 28 45.105 4.424 34.688 1.00 17.14 C ATOM 163 CG PRO A 28 44.658 3.452 35.790 1.00 18.79 C ATOM 164 CD PRO A 28 45.550 3.834 36.985 1.00 17.34 C ATOM 0 HA PRO A 28 45.871 6.357 35.019 1.00 16.00 H new ATOM 0 HB2 PRO A 28 44.451 4.485 33.975 1.00 17.14 H new ATOM 0 HB3 PRO A 28 45.942 4.148 34.282 1.00 17.14 H new ATOM 0 HG2 PRO A 28 43.716 3.556 35.999 1.00 18.79 H new ATOM 0 HG3 PRO A 28 44.789 2.528 35.527 1.00 18.79 H new ATOM 0 HD2 PRO A 28 45.131 3.629 37.836 1.00 17.34 H new ATOM 0 HD3 PRO A 28 46.402 3.371 36.970 1.00 17.34 H new ATOM 172 N TYR A 29 43.328 6.764 36.570 1.00 13.96 N ATOM 173 CA TYR A 29 42.083 7.602 36.648 1.00 13.13 C ATOM 174 C TYR A 29 42.408 8.994 37.212 1.00 13.66 C ATOM 175 O TYR A 29 41.540 9.835 37.308 1.00 10.55 O ATOM 176 CB TYR A 29 41.012 6.876 37.569 1.00 11.40 C ATOM 177 CG TYR A 29 41.663 6.423 38.881 1.00 11.58 C ATOM 178 CD1 TYR A 29 41.834 7.317 39.908 1.00 14.66 C ATOM 179 CD2 TYR A 29 42.137 5.133 39.048 1.00 12.58 C ATOM 180 CE1 TYR A 29 42.467 6.947 41.075 1.00 15.78 C ATOM 181 CE2 TYR A 29 42.779 4.756 40.221 1.00 13.79 C ATOM 182 CZ TYR A 29 42.953 5.674 41.263 1.00 13.10 C ATOM 183 OH TYR A 29 43.583 5.404 42.472 1.00 18.05 O ATOM 0 H TYR A 29 43.565 6.397 37.311 1.00 13.96 H new ATOM 0 HA TYR A 29 41.718 7.711 35.756 1.00 13.13 H new ATOM 0 HB2 TYR A 29 40.275 7.479 37.757 1.00 11.40 H new ATOM 0 HB3 TYR A 29 40.641 6.111 37.103 1.00 11.40 H new ATOM 0 HD1 TYR A 29 41.518 8.187 39.815 1.00 14.66 H new ATOM 0 HD2 TYR A 29 42.024 4.511 38.366 1.00 12.58 H new ATOM 0 HE1 TYR A 29 42.568 7.575 41.754 1.00 15.78 H new ATOM 0 HE2 TYR A 29 43.096 3.887 40.315 1.00 13.79 H new ATOM 0 HH TYR A 29 43.298 5.931 43.061 1.00 18.05 H new ATOM 193 N GLN A 30 43.648 9.186 37.559 1.00 12.34 N ATOM 194 CA GLN A 30 44.090 10.478 38.126 1.00 17.26 C ATOM 195 C GLN A 30 44.159 11.466 36.945 1.00 17.85 C ATOM 196 O GLN A 30 44.543 11.109 35.836 1.00 20.14 O ATOM 197 CB GLN A 30 45.501 10.280 38.787 1.00 17.81 C ATOM 198 CG GLN A 30 46.204 11.640 39.177 1.00 16.19 C ATOM 199 CD GLN A 30 45.713 12.150 40.516 1.00 14.40 C ATOM 200 OE1 GLN A 30 45.353 13.303 40.659 1.00 11.86 O ATOM 201 NE2 GLN A 30 45.699 11.318 41.514 1.00 10.22 N ATOM 0 H GLN A 30 44.269 8.595 37.484 1.00 12.34 H new ATOM 0 HA GLN A 30 43.487 10.814 38.808 1.00 17.26 H new ATOM 0 HB2 GLN A 30 45.405 9.733 39.582 1.00 17.81 H new ATOM 0 HB3 GLN A 30 46.073 9.792 38.174 1.00 17.81 H new ATOM 0 HG2 GLN A 30 47.165 11.512 39.210 1.00 16.19 H new ATOM 0 HG3 GLN A 30 46.030 12.304 38.492 1.00 16.19 H new ATOM 0 HE21 GLN A 30 45.956 10.505 41.400 1.00 10.22 H new ATOM 0 HE22 GLN A 30 45.433 11.580 42.289 1.00 10.22 H new ATOM 210 N VAL A 31 43.819 12.706 37.204 1.00 13.04 N ATOM 211 CA VAL A 31 43.899 13.796 36.178 1.00 17.07 C ATOM 212 C VAL A 31 44.603 15.000 36.774 1.00 14.68 C ATOM 213 O VAL A 31 44.631 15.150 37.997 1.00 14.38 O ATOM 214 CB AVAL A 31 42.445 14.106 35.860 0.55 14.25 C ATOM 215 CB BVAL A 31 42.525 14.370 35.621 0.47 17.35 C ATOM 216 CG1AVAL A 31 42.250 15.179 34.851 0.55 13.70 C ATOM 217 CG1BVAL A 31 41.753 13.343 34.772 0.47 20.60 C ATOM 218 CG2AVAL A 31 41.659 12.827 35.502 0.55 14.81 C ATOM 219 CG2BVAL A 31 41.673 14.850 36.708 0.47 17.64 C ATOM 0 H VAL A 31 43.532 12.969 37.971 1.00 13.04 H new ATOM 0 HA VAL A 31 44.398 13.548 35.384 1.00 17.07 H new ATOM 0 HB AVAL A 31 42.076 14.469 36.680 0.55 17.35 H new ATOM 0 HB BVAL A 31 42.759 15.114 35.044 0.47 17.35 H new ATOM 0 HG11AVAL A 31 41.301 15.317 34.704 0.55 20.60 H new ATOM 0 HG11BVAL A 31 40.926 13.740 34.457 0.47 20.60 H new ATOM 0 HG12AVAL A 31 42.650 16.002 35.172 0.55 20.60 H new ATOM 0 HG12BVAL A 31 42.294 13.079 34.012 0.47 20.60 H new ATOM 0 HG13AVAL A 31 42.672 14.920 34.017 0.55 20.60 H new ATOM 0 HG13BVAL A 31 41.552 12.563 35.312 0.47 20.60 H new ATOM 0 HG21AVAL A 31 40.738 13.058 35.305 0.55 17.64 H new ATOM 0 HG21BVAL A 31 40.843 15.194 36.341 0.47 17.64 H new ATOM 0 HG22AVAL A 31 42.060 12.407 34.725 0.55 17.64 H new ATOM 0 HG22BVAL A 31 41.479 14.118 37.315 0.47 17.64 H new ATOM 0 HG23AVAL A 31 41.685 12.211 36.251 0.55 17.64 H new ATOM 0 HG23BVAL A 31 42.130 15.557 37.190 0.47 17.64 H new ATOM 236 N SER A 32 45.058 15.808 35.970 1.00 11.04 N ATOM 237 CA SER A 32 45.767 17.028 36.426 1.00 13.89 C ATOM 238 C SER A 32 44.907 18.104 35.761 1.00 16.66 C ATOM 239 O SER A 32 44.632 17.995 34.577 1.00 14.33 O ATOM 240 CB SER A 32 47.161 17.114 35.865 1.00 13.86 C ATOM 241 OG SER A 32 47.635 18.441 36.093 1.00 11.28 O ATOM 0 H SER A 32 44.999 15.726 35.116 1.00 11.04 H new ATOM 0 HA SER A 32 45.866 17.082 37.389 1.00 13.89 H new ATOM 0 HB2 SER A 32 47.742 16.466 36.294 1.00 13.86 H new ATOM 0 HB3 SER A 32 47.160 16.910 34.917 1.00 13.86 H new ATOM 0 HG SER A 32 47.970 18.491 36.862 1.00 11.28 H new ATOM 247 N LEU A 33 44.511 19.089 36.528 1.00 18.56 N ATOM 248 CA LEU A 33 43.694 20.201 35.998 1.00 16.82 C ATOM 249 C LEU A 33 44.768 21.253 35.808 1.00 17.88 C ATOM 250 O LEU A 33 45.586 21.490 36.687 1.00 14.92 O ATOM 251 CB LEU A 33 42.665 20.723 37.010 1.00 18.33 C ATOM 252 CG LEU A 33 41.702 19.594 37.434 1.00 14.06 C ATOM 253 CD1 LEU A 33 40.583 20.243 38.277 1.00 14.75 C ATOM 254 CD2 LEU A 33 41.031 18.945 36.222 1.00 17.69 C ATOM 0 H LEU A 33 44.696 19.150 37.366 1.00 18.56 H new ATOM 0 HA LEU A 33 43.176 19.954 35.216 1.00 16.82 H new ATOM 0 HB2 LEU A 33 43.121 21.076 37.790 1.00 18.33 H new ATOM 0 HB3 LEU A 33 42.162 21.455 36.620 1.00 18.33 H new ATOM 0 HG LEU A 33 42.203 18.919 37.918 1.00 14.06 H new ATOM 0 HD11 LEU A 33 39.956 19.561 38.563 1.00 14.75 H new ATOM 0 HD12 LEU A 33 40.971 20.671 39.056 1.00 14.75 H new ATOM 0 HD13 LEU A 33 40.118 20.906 37.743 1.00 14.75 H new ATOM 0 HD21 LEU A 33 40.434 18.241 36.521 1.00 17.69 H new ATOM 0 HD22 LEU A 33 40.524 19.614 35.736 1.00 17.69 H new ATOM 0 HD23 LEU A 33 41.709 18.567 35.640 1.00 17.69 H new ATOM 266 N ASN A 34 44.710 21.824 34.645 1.00 18.85 N ATOM 267 CA ASN A 34 45.692 22.868 34.267 1.00 16.72 C ATOM 268 C ASN A 34 45.087 24.185 33.730 1.00 17.35 C ATOM 269 O ASN A 34 44.189 24.153 32.907 1.00 13.70 O ATOM 270 CB ASN A 34 46.605 22.168 33.237 1.00 17.28 C ATOM 271 CG ASN A 34 47.714 23.027 32.700 1.00 15.34 C ATOM 272 OD1 ASN A 34 47.482 24.035 32.077 1.00 15.60 O ATOM 273 ND2 ASN A 34 48.922 22.641 32.934 1.00 13.61 N ATOM 0 H ASN A 34 44.124 21.643 34.042 1.00 18.85 H new ATOM 0 HA ASN A 34 46.169 23.183 35.050 1.00 16.72 H new ATOM 0 HB2 ASN A 34 46.993 21.380 33.649 1.00 17.28 H new ATOM 0 HB3 ASN A 34 46.060 21.862 32.495 1.00 17.28 H new ATOM 0 HD21 ASN A 34 49.585 23.105 32.644 1.00 13.61 H new ATOM 0 HD22 ASN A 34 49.064 21.920 33.380 1.00 13.61 H new ATOM 280 N SER A 37 45.553 25.305 34.211 1.00 18.38 N ATOM 281 CA SER A 37 45.023 26.609 33.704 1.00 19.72 C ATOM 282 C SER A 37 46.295 27.377 33.465 1.00 20.89 C ATOM 283 O SER A 37 46.415 28.509 33.890 1.00 22.53 O ATOM 284 CB SER A 37 44.194 27.337 34.748 1.00 18.60 C ATOM 285 OG SER A 37 45.030 27.246 35.884 1.00 22.43 O ATOM 0 H SER A 37 46.161 25.366 34.816 1.00 18.38 H new ATOM 0 HA SER A 37 44.443 26.504 32.934 1.00 19.72 H new ATOM 0 HB2 SER A 37 44.017 28.257 34.497 1.00 18.60 H new ATOM 0 HB3 SER A 37 43.334 26.912 34.893 1.00 18.60 H new ATOM 0 HG SER A 37 44.839 26.553 36.318 1.00 22.43 H new ATOM 291 N GLY A 38 47.211 26.733 32.792 1.00 22.43 N ATOM 292 CA GLY A 38 48.517 27.387 32.504 1.00 22.45 C ATOM 293 C GLY A 38 49.580 26.670 33.324 1.00 20.84 C ATOM 294 O GLY A 38 50.743 26.743 32.978 1.00 18.90 O ATOM 0 H GLY A 38 47.126 25.933 32.487 1.00 22.43 H new ATOM 0 HA2 GLY A 38 48.723 27.334 31.558 1.00 22.45 H new ATOM 0 HA3 GLY A 38 48.485 28.328 32.735 1.00 22.45 H new ATOM 298 N TYR A 39 49.125 26.035 34.385 1.00 16.52 N ATOM 299 CA TYR A 39 49.986 25.263 35.327 1.00 16.58 C ATOM 300 C TYR A 39 48.998 24.331 35.984 1.00 15.04 C ATOM 301 O TYR A 39 47.799 24.543 35.916 1.00 14.00 O ATOM 302 CB TYR A 39 50.674 26.205 36.433 1.00 17.62 C ATOM 303 CG TYR A 39 49.603 27.199 36.931 1.00 15.44 C ATOM 304 CD1 TYR A 39 49.356 28.302 36.161 1.00 19.87 C ATOM 305 CD2 TYR A 39 48.855 27.000 38.067 1.00 18.13 C ATOM 306 CE1 TYR A 39 48.380 29.188 36.498 1.00 22.83 C ATOM 307 CE2 TYR A 39 47.881 27.887 38.409 1.00 18.05 C ATOM 308 CZ TYR A 39 47.635 28.977 37.631 1.00 23.14 C ATOM 309 OH TYR A 39 46.618 29.839 37.980 1.00 31.57 O ATOM 0 H TYR A 39 48.293 26.027 34.601 1.00 16.52 H new ATOM 0 HA TYR A 39 50.721 24.819 34.877 1.00 16.58 H new ATOM 0 HB2 TYR A 39 51.014 25.673 37.170 1.00 17.62 H new ATOM 0 HB3 TYR A 39 51.430 26.680 36.053 1.00 17.62 H new ATOM 0 HD1 TYR A 39 49.863 28.449 35.395 1.00 19.87 H new ATOM 0 HD2 TYR A 39 49.015 26.257 38.603 1.00 18.13 H new ATOM 0 HE1 TYR A 39 48.219 29.932 35.964 1.00 22.83 H new ATOM 0 HE2 TYR A 39 47.380 27.748 39.180 1.00 18.05 H new ATOM 0 HH TYR A 39 46.259 29.576 38.692 1.00 31.57 H new ATOM 319 N HIS A 40 49.555 23.346 36.615 1.00 15.23 N ATOM 320 CA HIS A 40 48.780 22.305 37.335 1.00 14.89 C ATOM 321 C HIS A 40 48.305 22.972 38.615 1.00 15.64 C ATOM 322 O HIS A 40 49.108 23.552 39.325 1.00 15.72 O ATOM 323 CB HIS A 40 49.699 21.103 37.683 1.00 12.56 C ATOM 324 CG HIS A 40 49.060 20.243 38.836 1.00 13.42 C ATOM 325 ND1 HIS A 40 48.168 19.297 38.612 1.00 14.43 N ATOM 326 CD2 HIS A 40 49.281 20.338 40.209 1.00 12.55 C ATOM 327 CE1 HIS A 40 47.848 18.830 39.796 1.00 10.79 C ATOM 328 NE2 HIS A 40 48.500 19.442 40.718 1.00 14.03 N ATOM 0 H HIS A 40 50.407 23.234 36.656 1.00 15.23 H new ATOM 0 HA HIS A 40 48.044 21.969 36.801 1.00 14.89 H new ATOM 0 HB2 HIS A 40 49.833 20.552 36.896 1.00 12.56 H new ATOM 0 HB3 HIS A 40 50.572 21.424 37.957 1.00 12.56 H new ATOM 0 HD2 HIS A 40 49.858 20.914 40.656 1.00 12.55 H new ATOM 0 HE1 HIS A 40 47.233 18.149 39.947 1.00 10.79 H new ATOM 0 HE2 HIS A 40 48.427 19.278 41.559 1.00 14.03 H new ATOM 336 N PHE A 41 47.040 22.902 38.901 1.00 17.09 N ATOM 337 CA PHE A 41 46.569 23.525 40.148 1.00 14.77 C ATOM 338 C PHE A 41 45.714 22.525 40.927 1.00 15.12 C ATOM 339 O PHE A 41 45.541 22.718 42.109 1.00 17.97 O ATOM 340 CB PHE A 41 45.788 24.778 39.827 1.00 16.47 C ATOM 341 CG PHE A 41 44.459 24.520 39.140 1.00 19.13 C ATOM 342 CD1 PHE A 41 43.324 24.373 39.903 1.00 19.69 C ATOM 343 CD2 PHE A 41 44.387 24.467 37.767 1.00 22.15 C ATOM 344 CE1 PHE A 41 42.128 24.178 39.285 1.00 21.15 C ATOM 345 CE2 PHE A 41 43.185 24.271 37.144 1.00 23.71 C ATOM 346 CZ PHE A 41 42.050 24.126 37.914 1.00 22.89 C ATOM 0 H PHE A 41 46.438 22.518 38.421 1.00 17.09 H new ATOM 0 HA PHE A 41 47.327 23.774 40.700 1.00 14.77 H new ATOM 0 HB2 PHE A 41 45.627 25.267 40.649 1.00 16.47 H new ATOM 0 HB3 PHE A 41 46.329 25.349 39.259 1.00 16.47 H new ATOM 0 HD1 PHE A 41 43.374 24.407 40.831 1.00 19.69 H new ATOM 0 HD2 PHE A 41 45.160 24.565 37.259 1.00 22.15 H new ATOM 0 HE1 PHE A 41 41.356 24.079 39.795 1.00 21.15 H new ATOM 0 HE2 PHE A 41 43.134 24.236 36.216 1.00 23.71 H new ATOM 0 HZ PHE A 41 41.227 23.992 37.503 1.00 22.89 H new ATOM 356 N CYS A 42 45.177 21.498 40.348 1.00 14.20 N ATOM 357 CA CYS A 42 44.366 20.576 41.183 1.00 12.18 C ATOM 358 C CYS A 42 44.356 19.269 40.466 1.00 14.21 C ATOM 359 O CYS A 42 44.777 19.230 39.316 1.00 14.22 O ATOM 360 CB CYS A 42 42.910 21.063 41.329 1.00 15.22 C ATOM 361 SG CYS A 42 42.423 22.039 42.791 1.00 14.65 S ATOM 0 H CYS A 42 45.246 21.295 39.515 1.00 14.20 H new ATOM 0 HA CYS A 42 44.746 20.520 42.074 1.00 12.18 H new ATOM 0 HB2 CYS A 42 42.702 21.594 40.544 1.00 15.22 H new ATOM 0 HB3 CYS A 42 42.339 20.280 41.301 1.00 15.22 H new ATOM 366 N GLY A 43 43.857 18.267 41.149 1.00 12.80 N ATOM 367 CA GLY A 43 43.778 16.910 40.564 1.00 9.81 C ATOM 368 C GLY A 43 42.309 16.618 40.383 1.00 10.02 C ATOM 369 O GLY A 43 41.470 17.404 40.761 1.00 13.03 O ATOM 0 H GLY A 43 43.554 18.331 41.951 1.00 12.80 H new ATOM 0 HA2 GLY A 43 44.247 16.870 39.716 1.00 9.81 H new ATOM 0 HA3 GLY A 43 44.192 16.256 41.148 1.00 9.81 H new ATOM 373 N GLY A 44 41.992 15.511 39.801 1.00 8.71 N ATOM 374 CA GLY A 44 40.583 15.118 39.579 1.00 9.91 C ATOM 375 C GLY A 44 40.578 13.617 39.292 1.00 6.48 C ATOM 376 O GLY A 44 41.634 13.033 39.213 1.00 11.58 O ATOM 0 H GLY A 44 42.567 14.942 39.510 1.00 8.71 H new ATOM 0 HA2 GLY A 44 40.043 15.320 40.359 1.00 9.91 H new ATOM 0 HA3 GLY A 44 40.202 15.611 38.835 1.00 9.91 H new ATOM 380 N SER A 45 39.439 13.021 39.149 1.00 11.60 N ATOM 381 CA SER A 45 39.376 11.564 38.863 1.00 12.60 C ATOM 382 C SER A 45 38.528 11.376 37.631 1.00 12.80 C ATOM 383 O SER A 45 37.518 12.049 37.523 1.00 8.67 O ATOM 384 CB SER A 45 38.728 10.827 40.034 1.00 17.18 C ATOM 385 OG SER A 45 39.680 10.940 41.086 1.00 19.98 O ATOM 0 H SER A 45 38.675 13.411 39.207 1.00 11.60 H new ATOM 0 HA SER A 45 40.269 11.211 38.729 1.00 12.60 H new ATOM 0 HB2 SER A 45 37.879 11.228 40.279 1.00 17.18 H new ATOM 0 HB3 SER A 45 38.551 9.899 39.814 1.00 17.18 H new ATOM 0 HG SER A 45 40.363 11.340 40.805 1.00 19.98 H new ATOM 391 N LEU A 46 38.908 10.484 36.752 1.00 11.34 N ATOM 392 CA LEU A 46 38.076 10.296 35.529 1.00 12.85 C ATOM 393 C LEU A 46 36.961 9.332 35.902 1.00 6.81 C ATOM 394 O LEU A 46 37.291 8.292 36.426 1.00 9.77 O ATOM 395 CB LEU A 46 38.983 9.716 34.475 1.00 11.31 C ATOM 396 CG LEU A 46 38.299 9.612 33.106 1.00 13.40 C ATOM 397 CD1 LEU A 46 38.096 11.029 32.507 1.00 12.07 C ATOM 398 CD2 LEU A 46 39.200 8.743 32.163 1.00 15.68 C ATOM 0 H LEU A 46 39.606 9.985 36.813 1.00 11.34 H new ATOM 0 HA LEU A 46 37.684 11.117 35.193 1.00 12.85 H new ATOM 0 HB2 LEU A 46 39.777 10.268 34.396 1.00 11.31 H new ATOM 0 HB3 LEU A 46 39.277 8.835 34.754 1.00 11.31 H new ATOM 0 HG LEU A 46 37.428 9.195 33.199 1.00 13.40 H new ATOM 0 HD11 LEU A 46 37.663 10.956 31.642 1.00 12.07 H new ATOM 0 HD12 LEU A 46 37.540 11.556 33.103 1.00 12.07 H new ATOM 0 HD13 LEU A 46 38.957 11.462 32.402 1.00 12.07 H new ATOM 0 HD21 LEU A 46 38.780 8.668 31.292 1.00 15.68 H new ATOM 0 HD22 LEU A 46 40.069 9.164 32.067 1.00 15.68 H new ATOM 0 HD23 LEU A 46 39.310 7.858 32.545 1.00 15.68 H new ATOM 410 N ILE A 47 35.717 9.630 35.665 1.00 12.93 N ATOM 411 CA ILE A 47 34.633 8.664 36.028 1.00 17.70 C ATOM 412 C ILE A 47 34.109 7.983 34.758 1.00 21.33 C ATOM 413 O ILE A 47 33.456 6.957 34.856 1.00 17.53 O ATOM 414 CB ILE A 47 33.499 9.408 36.831 1.00 20.53 C ATOM 415 CG1 ILE A 47 33.006 10.703 36.186 1.00 19.44 C ATOM 416 CG2 ILE A 47 34.120 9.789 38.204 1.00 23.65 C ATOM 417 CD1 ILE A 47 31.776 11.189 36.967 1.00 20.20 C ATOM 0 H ILE A 47 35.448 10.363 35.303 1.00 12.93 H new ATOM 0 HA ILE A 47 34.981 7.969 36.608 1.00 17.70 H new ATOM 0 HB ILE A 47 32.735 8.813 36.877 1.00 20.53 H new ATOM 0 HG12 ILE A 47 33.704 11.376 36.202 1.00 19.44 H new ATOM 0 HG13 ILE A 47 32.778 10.552 35.255 1.00 19.44 H new ATOM 0 HG21 ILE A 47 33.459 10.253 38.741 1.00 23.65 H new ATOM 0 HG22 ILE A 47 34.404 8.984 38.665 1.00 23.65 H new ATOM 0 HG23 ILE A 47 34.886 10.368 38.064 1.00 23.65 H new ATOM 0 HD11 ILE A 47 31.447 12.012 36.573 1.00 20.20 H new ATOM 0 HD12 ILE A 47 31.081 10.513 36.931 1.00 20.20 H new ATOM 0 HD13 ILE A 47 32.022 11.350 37.891 1.00 20.20 H new ATOM 429 N ASN A 48 34.364 8.546 33.600 1.00 20.79 N ATOM 430 CA ASN A 48 33.913 7.919 32.297 1.00 20.45 C ATOM 431 C ASN A 48 34.602 8.717 31.183 1.00 19.54 C ATOM 432 O ASN A 48 35.083 9.789 31.511 1.00 16.30 O ATOM 433 CB ASN A 48 32.355 7.945 32.159 1.00 22.32 C ATOM 434 CG ASN A 48 31.673 9.271 31.960 1.00 22.32 C ATOM 435 OD1 ASN A 48 30.523 9.391 32.310 1.00 29.33 O ATOM 436 ND2 ASN A 48 32.255 10.295 31.428 1.00 22.86 N ATOM 0 H ASN A 48 34.792 9.287 33.509 1.00 20.79 H new ATOM 0 HA ASN A 48 34.158 6.982 32.252 1.00 20.45 H new ATOM 0 HB2 ASN A 48 32.116 7.375 31.411 1.00 22.32 H new ATOM 0 HB3 ASN A 48 31.982 7.538 32.956 1.00 22.32 H new ATOM 0 HD21 ASN A 48 31.824 11.033 31.332 1.00 22.86 H new ATOM 0 HD22 ASN A 48 33.073 10.238 31.170 1.00 22.86 H new ATOM 443 N SER A 49 34.628 8.284 29.942 1.00 17.57 N ATOM 444 CA SER A 49 35.319 9.063 28.859 1.00 15.78 C ATOM 445 C SER A 49 35.023 10.540 28.732 1.00 16.02 C ATOM 446 O SER A 49 35.831 11.242 28.173 1.00 18.81 O ATOM 447 CB ASER A 49 35.031 8.343 27.497 0.77 15.87 C ATOM 448 CB BSER A 49 34.999 8.429 27.488 0.39 18.06 C ATOM 449 OG ASER A 49 33.645 7.991 27.538 0.77 23.58 O ATOM 450 OG BSER A 49 34.704 7.081 27.844 0.39 23.58 O ATOM 0 H SER A 49 34.263 7.551 29.679 1.00 17.57 H new ATOM 0 HA SER A 49 36.254 9.064 29.118 1.00 15.78 H new ATOM 0 HB2ASER A 49 35.221 8.927 26.746 0.77 18.06 H new ATOM 0 HB2BSER A 49 34.247 8.862 27.055 0.39 18.06 H new ATOM 0 HB3ASER A 49 35.589 7.556 27.393 0.77 18.06 H new ATOM 0 HB3BSER A 49 35.750 8.487 26.877 0.39 18.06 H new ATOM 0 HG ASER A 49 33.569 7.156 27.583 0.77 23.58 H new ATOM 0 HG BSER A 49 33.899 6.915 27.671 0.39 23.58 H new ATOM 459 N GLN A 50 33.897 10.958 29.227 1.00 15.87 N ATOM 460 CA GLN A 50 33.535 12.403 29.112 1.00 16.02 C ATOM 461 C GLN A 50 33.412 13.227 30.414 1.00 16.09 C ATOM 462 O GLN A 50 33.165 14.412 30.334 1.00 15.82 O ATOM 463 CB GLN A 50 32.220 12.509 28.429 1.00 20.69 C ATOM 464 CG GLN A 50 32.163 11.874 27.035 1.00 21.77 C ATOM 465 CD GLN A 50 30.713 12.096 26.623 1.00 24.71 C ATOM 466 OE1 GLN A 50 29.826 11.378 27.043 1.00 27.67 O ATOM 467 NE2 GLN A 50 30.440 13.081 25.835 1.00 25.86 N ATOM 0 H GLN A 50 33.320 10.463 29.629 1.00 15.87 H new ATOM 0 HA GLN A 50 34.289 12.781 28.633 1.00 16.02 H new ATOM 0 HB2 GLN A 50 31.546 12.092 28.988 1.00 20.69 H new ATOM 0 HB3 GLN A 50 31.985 13.447 28.353 1.00 20.69 H new ATOM 0 HG2 GLN A 50 32.781 12.299 26.420 1.00 21.77 H new ATOM 0 HG3 GLN A 50 32.390 10.931 27.059 1.00 21.77 H new ATOM 0 HE21 GLN A 50 31.072 13.585 25.542 1.00 25.86 H new ATOM 0 HE22 GLN A 50 29.626 13.233 25.603 1.00 25.86 H new ATOM 476 N TRP A 51 33.583 12.612 31.549 1.00 17.56 N ATOM 477 CA TRP A 51 33.443 13.368 32.830 1.00 17.50 C ATOM 478 C TRP A 51 34.535 13.145 33.885 1.00 15.31 C ATOM 479 O TRP A 51 35.083 12.064 34.005 1.00 15.55 O ATOM 480 CB TRP A 51 32.022 13.013 33.478 1.00 16.96 C ATOM 481 CG TRP A 51 30.787 13.557 32.684 1.00 13.13 C ATOM 482 CD1 TRP A 51 30.122 12.905 31.682 1.00 11.56 C ATOM 483 CD2 TRP A 51 30.183 14.780 32.881 1.00 12.53 C ATOM 484 NE1 TRP A 51 29.190 13.760 31.343 1.00 12.69 N ATOM 485 CE2 TRP A 51 29.126 14.911 31.984 1.00 14.08 C ATOM 486 CE3 TRP A 51 30.437 15.858 33.755 1.00 11.54 C ATOM 487 CZ2 TRP A 51 28.343 16.066 31.956 1.00 9.86 C ATOM 488 CZ3 TRP A 51 29.651 17.012 33.726 1.00 12.60 C ATOM 489 CH2 TRP A 51 28.596 17.110 32.818 1.00 12.63 C ATOM 0 H TRP A 51 33.777 11.778 31.633 1.00 17.56 H new ATOM 0 HA TRP A 51 33.531 14.301 32.579 1.00 17.50 H new ATOM 0 HB2 TRP A 51 31.945 12.049 33.551 1.00 16.96 H new ATOM 0 HB3 TRP A 51 31.994 13.369 34.380 1.00 16.96 H new ATOM 0 HD1 TRP A 51 30.290 12.062 31.328 1.00 11.56 H new ATOM 0 HE1 TRP A 51 28.631 13.575 30.716 1.00 12.69 H new ATOM 0 HE3 TRP A 51 31.140 15.799 34.361 1.00 11.54 H new ATOM 0 HZ2 TRP A 51 27.642 16.131 31.348 1.00 9.86 H new ATOM 0 HZ3 TRP A 51 29.830 17.713 34.310 1.00 12.60 H new ATOM 0 HH2 TRP A 51 28.067 17.875 32.795 1.00 12.63 H new ATOM 500 N VAL A 52 34.786 14.207 34.599 1.00 15.23 N ATOM 501 CA VAL A 52 35.794 14.205 35.679 1.00 15.21 C ATOM 502 C VAL A 52 35.119 14.791 36.960 1.00 13.79 C ATOM 503 O VAL A 52 34.235 15.631 36.887 1.00 10.74 O ATOM 504 CB VAL A 52 36.994 15.086 35.249 1.00 11.94 C ATOM 505 CG1 VAL A 52 38.021 15.269 36.406 1.00 14.34 C ATOM 506 CG2 VAL A 52 37.728 14.406 34.124 1.00 13.54 C ATOM 0 H VAL A 52 34.388 14.962 34.489 1.00 15.23 H new ATOM 0 HA VAL A 52 36.117 13.308 35.858 1.00 15.21 H new ATOM 0 HB VAL A 52 36.638 15.950 34.988 1.00 11.94 H new ATOM 0 HG11 VAL A 52 38.756 15.824 36.102 1.00 14.34 H new ATOM 0 HG12 VAL A 52 37.586 15.695 37.161 1.00 14.34 H new ATOM 0 HG13 VAL A 52 38.362 14.402 36.677 1.00 14.34 H new ATOM 0 HG21 VAL A 52 38.481 14.954 33.851 1.00 13.54 H new ATOM 0 HG22 VAL A 52 38.050 13.541 34.423 1.00 13.54 H new ATOM 0 HG23 VAL A 52 37.127 14.285 33.372 1.00 13.54 H new ATOM 516 N VAL A 53 35.581 14.301 38.085 1.00 13.23 N ATOM 517 CA VAL A 53 35.049 14.799 39.379 1.00 13.64 C ATOM 518 C VAL A 53 36.258 15.405 40.075 1.00 12.15 C ATOM 519 O VAL A 53 37.315 14.822 40.057 1.00 12.49 O ATOM 520 CB AVAL A 53 34.414 13.587 40.166 0.72 12.87 C ATOM 521 CB BVAL A 53 34.533 13.643 40.283 0.16 16.57 C ATOM 522 CG1AVAL A 53 35.433 12.444 40.390 0.72 16.46 C ATOM 523 CG1BVAL A 53 33.348 12.944 39.663 0.16 16.42 C ATOM 524 CG2AVAL A 53 33.880 14.128 41.505 0.72 11.33 C ATOM 525 CG2BVAL A 53 35.610 12.546 40.493 0.16 19.34 C ATOM 0 H VAL A 53 36.187 13.694 38.146 1.00 13.23 H new ATOM 0 HA VAL A 53 34.344 15.461 39.299 1.00 13.64 H new ATOM 0 HB AVAL A 53 33.692 13.202 39.645 0.72 16.57 H new ATOM 0 HB BVAL A 53 34.297 14.063 41.125 0.16 16.57 H new ATOM 0 HG11AVAL A 53 35.006 11.720 40.875 0.72 16.42 H new ATOM 0 HG11BVAL A 53 33.050 12.230 40.249 0.16 16.42 H new ATOM 0 HG12AVAL A 53 35.747 12.117 39.532 0.72 16.42 H new ATOM 0 HG12BVAL A 53 32.627 13.580 39.536 0.16 16.42 H new ATOM 0 HG13AVAL A 53 36.186 12.777 40.903 0.72 16.42 H new ATOM 0 HG13BVAL A 53 33.604 12.572 38.805 0.16 16.42 H new ATOM 0 HG21AVAL A 53 33.483 13.403 42.012 0.72 19.34 H new ATOM 0 HG21BVAL A 53 35.252 11.845 41.060 0.16 19.34 H new ATOM 0 HG22AVAL A 53 34.611 14.514 42.013 0.72 19.34 H new ATOM 0 HG22BVAL A 53 35.861 12.170 39.635 0.16 19.34 H new ATOM 0 HG23AVAL A 53 33.210 14.808 41.335 0.72 19.34 H new ATOM 0 HG23BVAL A 53 36.391 12.936 40.916 0.16 19.34 H new ATOM 542 N SER A 54 36.077 16.517 40.659 1.00 15.44 N ATOM 543 CA SER A 54 37.199 17.159 41.398 1.00 14.41 C ATOM 544 C SER A 54 36.480 17.848 42.553 1.00 16.80 C ATOM 545 O SER A 54 35.332 17.543 42.820 1.00 16.79 O ATOM 546 CB SER A 54 37.905 18.136 40.418 1.00 16.55 C ATOM 547 OG SER A 54 38.969 18.757 41.138 1.00 13.82 O ATOM 0 H SER A 54 35.335 16.952 40.668 1.00 15.44 H new ATOM 0 HA SER A 54 37.895 16.572 41.732 1.00 14.41 H new ATOM 0 HB2 SER A 54 38.246 17.659 39.645 1.00 16.55 H new ATOM 0 HB3 SER A 54 37.281 18.801 40.088 1.00 16.55 H new ATOM 0 HG SER A 54 39.679 18.326 41.016 1.00 13.82 H new ATOM 553 N ALA A 55 37.166 18.763 43.184 1.00 17.47 N ATOM 554 CA ALA A 55 36.622 19.521 44.329 1.00 12.29 C ATOM 555 C ALA A 55 36.158 20.862 43.813 1.00 10.43 C ATOM 556 O ALA A 55 36.666 21.412 42.867 1.00 10.69 O ATOM 557 CB ALA A 55 37.710 19.745 45.343 1.00 12.20 C ATOM 0 H ALA A 55 37.971 18.980 42.974 1.00 17.47 H new ATOM 0 HA ALA A 55 35.892 19.033 44.741 1.00 12.29 H new ATOM 0 HB1 ALA A 55 37.354 20.243 46.095 1.00 12.20 H new ATOM 0 HB2 ALA A 55 38.046 18.889 45.652 1.00 12.20 H new ATOM 0 HB3 ALA A 55 38.433 20.248 44.936 1.00 12.20 H new ATOM 563 N ALA A 56 35.170 21.358 44.470 1.00 7.05 N ATOM 564 CA ALA A 56 34.577 22.649 44.119 1.00 11.84 C ATOM 565 C ALA A 56 35.490 23.780 44.474 1.00 9.35 C ATOM 566 O ALA A 56 35.414 24.818 43.874 1.00 11.53 O ATOM 567 CB ALA A 56 33.294 22.816 44.857 1.00 8.56 C ATOM 0 H ALA A 56 34.801 20.971 45.144 1.00 7.05 H new ATOM 0 HA ALA A 56 34.425 22.663 43.161 1.00 11.84 H new ATOM 0 HB1 ALA A 56 32.897 23.671 44.627 1.00 8.56 H new ATOM 0 HB2 ALA A 56 32.685 22.101 44.613 1.00 8.56 H new ATOM 0 HB3 ALA A 56 33.463 22.785 45.812 1.00 8.56 H new ATOM 573 N HIS A 57 36.346 23.605 45.435 1.00 12.10 N ATOM 574 CA HIS A 57 37.236 24.736 45.774 1.00 9.97 C ATOM 575 C HIS A 57 38.369 24.816 44.720 1.00 14.19 C ATOM 576 O HIS A 57 39.245 25.650 44.765 1.00 16.52 O ATOM 577 CB HIS A 57 37.783 24.538 47.270 1.00 9.00 C ATOM 578 CG HIS A 57 38.825 23.418 47.471 1.00 12.18 C ATOM 579 ND1 HIS A 57 38.579 22.192 47.765 1.00 18.29 N ATOM 580 CD2 HIS A 57 40.194 23.465 47.386 1.00 13.96 C ATOM 581 CE1 HIS A 57 39.646 21.514 47.865 1.00 12.56 C ATOM 582 NE2 HIS A 57 40.652 22.267 47.646 1.00 12.01 N ATOM 0 H HIS A 57 36.447 22.888 45.899 1.00 12.10 H new ATOM 0 HA HIS A 57 36.761 25.581 45.751 1.00 9.97 H new ATOM 0 HB2 HIS A 57 38.174 25.375 47.565 1.00 9.00 H new ATOM 0 HB3 HIS A 57 37.027 24.359 47.850 1.00 9.00 H new ATOM 0 HD1 HIS A 57 37.789 21.871 47.880 1.00 18.29 H new ATOM 0 HD2 HIS A 57 40.705 24.214 47.180 1.00 13.96 H new ATOM 0 HE1 HIS A 57 39.688 20.607 48.067 1.00 12.56 H new ATOM 590 N CYS A 58 38.310 23.916 43.777 1.00 15.32 N ATOM 591 CA CYS A 58 39.286 23.847 42.672 1.00 14.54 C ATOM 592 C CYS A 58 38.619 24.512 41.475 1.00 12.53 C ATOM 593 O CYS A 58 39.128 24.463 40.382 1.00 16.26 O ATOM 594 CB CYS A 58 39.587 22.420 42.228 1.00 16.49 C ATOM 595 SG CYS A 58 40.630 21.455 43.333 1.00 14.45 S ATOM 0 H CYS A 58 37.701 23.310 43.741 1.00 15.32 H new ATOM 0 HA CYS A 58 40.110 24.261 42.972 1.00 14.54 H new ATOM 0 HB2 CYS A 58 38.746 21.951 42.114 1.00 16.49 H new ATOM 0 HB3 CYS A 58 40.013 22.454 41.357 1.00 16.49 H new ATOM 600 N TYR A 59 37.499 25.135 41.676 1.00 14.48 N ATOM 601 CA TYR A 59 36.782 25.799 40.541 1.00 14.89 C ATOM 602 C TYR A 59 37.587 26.998 40.038 1.00 17.22 C ATOM 603 O TYR A 59 38.058 27.768 40.856 1.00 24.64 O ATOM 604 CB TYR A 59 35.360 26.266 41.015 1.00 15.75 C ATOM 605 CG TYR A 59 34.749 27.216 39.945 1.00 19.42 C ATOM 606 CD1 TYR A 59 34.764 28.585 40.181 1.00 18.38 C ATOM 607 CD2 TYR A 59 34.239 26.736 38.740 1.00 20.31 C ATOM 608 CE1 TYR A 59 34.295 29.451 39.247 1.00 19.56 C ATOM 609 CE2 TYR A 59 33.771 27.624 37.799 1.00 19.84 C ATOM 610 CZ TYR A 59 33.803 28.982 38.057 1.00 21.26 C ATOM 611 OH TYR A 59 33.354 29.928 37.162 1.00 25.89 O ATOM 0 H TYR A 59 37.111 25.205 42.440 1.00 14.48 H new ATOM 0 HA TYR A 59 36.683 25.164 39.814 1.00 14.89 H new ATOM 0 HB2 TYR A 59 34.783 25.498 41.148 1.00 15.75 H new ATOM 0 HB3 TYR A 59 35.426 26.722 41.868 1.00 15.75 H new ATOM 0 HD1 TYR A 59 35.098 28.911 40.985 1.00 18.38 H new ATOM 0 HD2 TYR A 59 34.215 25.821 38.573 1.00 20.31 H new ATOM 0 HE1 TYR A 59 34.308 30.366 39.415 1.00 19.56 H new ATOM 0 HE2 TYR A 59 33.434 27.311 36.991 1.00 19.84 H new ATOM 0 HH TYR A 59 33.990 30.174 36.671 1.00 25.89 H new ATOM 621 N LYS A 60 37.690 27.072 38.731 1.00 18.80 N ATOM 622 CA LYS A 60 38.414 28.127 37.959 1.00 19.78 C ATOM 623 C LYS A 60 37.693 28.110 36.617 1.00 21.64 C ATOM 624 O LYS A 60 36.941 27.194 36.315 1.00 17.85 O ATOM 625 CB LYS A 60 39.895 27.773 37.638 1.00 20.76 C ATOM 626 CG LYS A 60 40.902 28.449 38.589 1.00 23.83 C ATOM 627 CD LYS A 60 42.331 28.082 38.029 1.00 25.15 C ATOM 628 CE LYS A 60 43.499 28.619 38.872 1.00 24.06 C ATOM 629 NZ LYS A 60 44.704 27.798 38.569 0.01 24.24 N ATOM 0 H LYS A 60 37.327 26.486 38.217 1.00 18.80 H new ATOM 0 HA LYS A 60 38.419 28.957 38.460 1.00 19.78 H new ATOM 0 HB2 LYS A 60 40.009 26.811 37.687 1.00 20.76 H new ATOM 0 HB3 LYS A 60 40.094 28.036 36.726 1.00 20.76 H new ATOM 0 HG2 LYS A 60 40.772 29.410 38.608 1.00 23.83 H new ATOM 0 HG3 LYS A 60 40.791 28.129 39.498 1.00 23.83 H new ATOM 0 HD2 LYS A 60 42.405 27.117 37.970 1.00 25.15 H new ATOM 0 HD3 LYS A 60 42.412 28.428 37.126 1.00 25.15 H new ATOM 0 HE2 LYS A 60 43.664 29.552 38.666 1.00 24.06 H new ATOM 0 HE3 LYS A 60 43.285 28.571 39.817 1.00 24.06 H new ATOM 0 HZ1 LYS A 60 45.393 28.094 39.048 0.01 24.24 H new ATOM 0 HZ2 LYS A 60 44.543 26.947 38.775 0.01 24.24 H new ATOM 0 HZ3 LYS A 60 44.897 27.862 37.702 0.01 24.24 H new ATOM 643 N SER A 61 37.963 29.122 35.864 1.00 21.32 N ATOM 644 CA SER A 61 37.353 29.231 34.522 1.00 25.84 C ATOM 645 C SER A 61 38.560 28.876 33.581 1.00 24.53 C ATOM 646 O SER A 61 39.696 29.071 33.977 1.00 29.42 O ATOM 647 CB ASER A 61 36.866 30.690 34.341 0.01 24.91 C ATOM 648 CB BSER A 61 36.872 30.694 34.291 0.12 25.10 C ATOM 649 CB CSER A 61 36.839 30.697 34.312 0.28 23.79 C ATOM 650 OG ASER A 61 35.939 30.644 33.260 0.01 25.72 O ATOM 651 OG BSER A 61 37.745 31.489 35.091 0.12 25.71 O ATOM 652 OG CSER A 61 35.790 30.869 35.277 0.28 23.40 O ATOM 0 H SER A 61 38.488 29.768 36.080 1.00 21.32 H new ATOM 0 HA SER A 61 36.579 28.663 34.380 1.00 25.84 H new ATOM 0 HB2ASER A 61 36.445 31.022 35.150 0.01 23.79 H new ATOM 0 HB2BSER A 61 36.929 30.941 33.355 0.12 23.79 H new ATOM 0 HB2CSER A 61 37.551 31.341 34.450 0.28 23.79 H new ATOM 0 HB3ASER A 61 37.606 31.284 34.142 0.01 23.79 H new ATOM 0 HB3BSER A 61 35.947 30.808 34.559 0.12 23.79 H new ATOM 0 HB3CSER A 61 36.509 30.827 33.409 0.28 23.79 H new ATOM 0 HG ASER A 61 35.638 31.415 33.116 0.01 23.40 H new ATOM 0 HG BSER A 61 38.537 31.386 34.829 0.12 23.40 H new ATOM 0 HG CSER A 61 35.474 31.645 35.212 0.28 23.40 H new ATOM 664 N GLY A 62 38.314 28.375 32.401 1.00 24.79 N ATOM 665 CA GLY A 62 39.432 28.018 31.456 1.00 26.31 C ATOM 666 C GLY A 62 40.317 26.875 31.925 1.00 26.11 C ATOM 667 O GLY A 62 41.500 27.092 32.125 1.00 29.66 O ATOM 0 H GLY A 62 37.525 28.221 32.096 1.00 24.79 H new ATOM 0 HA2 GLY A 62 39.050 27.783 30.596 1.00 26.31 H new ATOM 0 HA3 GLY A 62 39.985 28.803 31.316 1.00 26.31 H new ATOM 671 N ILE A 63 39.751 25.708 32.075 1.00 24.08 N ATOM 672 CA ILE A 63 40.553 24.524 32.543 1.00 20.41 C ATOM 673 C ILE A 63 40.787 23.470 31.450 1.00 19.19 C ATOM 674 O ILE A 63 39.920 23.154 30.646 1.00 10.52 O ATOM 675 CB ILE A 63 39.786 23.846 33.752 1.00 22.35 C ATOM 676 CG1 ILE A 63 39.674 24.790 34.992 1.00 21.54 C ATOM 677 CG2 ILE A 63 40.415 22.487 34.161 1.00 23.34 C ATOM 678 CD1 ILE A 63 38.620 24.209 35.964 1.00 23.73 C ATOM 0 H ILE A 63 38.920 25.546 31.923 1.00 24.08 H new ATOM 0 HA ILE A 63 41.427 24.854 32.805 1.00 20.41 H new ATOM 0 HB ILE A 63 38.888 23.674 33.429 1.00 22.35 H new ATOM 0 HG12 ILE A 63 40.534 24.867 35.435 1.00 21.54 H new ATOM 0 HG13 ILE A 63 39.418 25.683 34.713 1.00 21.54 H new ATOM 0 HG21 ILE A 63 39.916 22.109 34.902 1.00 23.34 H new ATOM 0 HG22 ILE A 63 40.386 21.877 33.407 1.00 23.34 H new ATOM 0 HG23 ILE A 63 41.337 22.625 34.430 1.00 23.34 H new ATOM 0 HD11 ILE A 63 38.541 24.787 36.739 1.00 23.73 H new ATOM 0 HD12 ILE A 63 37.762 24.152 35.515 1.00 23.73 H new ATOM 0 HD13 ILE A 63 38.895 23.323 36.248 1.00 23.73 H new ATOM 690 N GLN A 64 41.988 22.954 31.470 1.00 17.09 N ATOM 691 CA GLN A 64 42.348 21.910 30.492 1.00 15.79 C ATOM 692 C GLN A 64 42.565 20.726 31.440 1.00 13.78 C ATOM 693 O GLN A 64 43.157 20.865 32.495 1.00 15.67 O ATOM 694 CB GLN A 64 43.664 22.269 29.714 1.00 17.31 C ATOM 695 CG GLN A 64 43.840 21.209 28.583 1.00 20.21 C ATOM 696 CD GLN A 64 45.145 21.515 27.897 1.00 21.65 C ATOM 697 OE1 GLN A 64 46.163 21.593 28.538 1.00 22.62 O ATOM 698 NE2 GLN A 64 45.198 21.695 26.613 1.00 21.82 N ATOM 0 H GLN A 64 42.611 23.174 32.020 1.00 17.09 H new ATOM 0 HA GLN A 64 41.693 21.764 29.792 1.00 15.79 H new ATOM 0 HB2 GLN A 64 43.607 23.162 29.340 1.00 17.31 H new ATOM 0 HB3 GLN A 64 44.428 22.261 30.312 1.00 17.31 H new ATOM 0 HG2 GLN A 64 43.847 20.312 28.951 1.00 20.21 H new ATOM 0 HG3 GLN A 64 43.103 21.252 27.954 1.00 20.21 H new ATOM 0 HE21 GLN A 64 44.481 21.643 26.141 1.00 21.82 H new ATOM 0 HE22 GLN A 64 45.950 21.867 26.234 1.00 21.82 H new ATOM 707 N VAL A 65 42.066 19.607 31.027 1.00 12.23 N ATOM 708 CA VAL A 65 42.150 18.343 31.796 1.00 14.01 C ATOM 709 C VAL A 65 43.255 17.548 31.155 1.00 14.86 C ATOM 710 O VAL A 65 43.199 17.311 29.963 1.00 12.77 O ATOM 711 CB VAL A 65 40.753 17.641 31.673 1.00 13.88 C ATOM 712 CG1 VAL A 65 40.790 16.305 32.319 1.00 17.91 C ATOM 713 CG2 VAL A 65 39.656 18.477 32.439 1.00 17.99 C ATOM 0 H VAL A 65 41.653 19.526 30.277 1.00 12.23 H new ATOM 0 HA VAL A 65 42.346 18.456 32.739 1.00 14.01 H new ATOM 0 HB VAL A 65 40.545 17.568 30.728 1.00 13.88 H new ATOM 0 HG11 VAL A 65 39.921 15.881 32.236 1.00 17.91 H new ATOM 0 HG12 VAL A 65 41.460 15.754 31.885 1.00 17.91 H new ATOM 0 HG13 VAL A 65 41.012 16.405 33.258 1.00 17.91 H new ATOM 0 HG21 VAL A 65 38.796 18.035 32.357 1.00 17.99 H new ATOM 0 HG22 VAL A 65 39.896 18.545 33.376 1.00 17.99 H new ATOM 0 HG23 VAL A 65 39.600 19.366 32.055 1.00 17.99 H new ATOM 723 N ARG A 66 44.228 17.152 31.907 1.00 16.55 N ATOM 724 CA ARG A 66 45.323 16.366 31.274 1.00 19.64 C ATOM 725 C ARG A 66 45.271 14.944 31.874 1.00 18.10 C ATOM 726 O ARG A 66 45.279 14.803 33.084 1.00 18.11 O ATOM 727 CB ARG A 66 46.689 17.069 31.555 1.00 17.32 C ATOM 728 CG ARG A 66 46.729 18.459 30.847 1.00 20.14 C ATOM 729 CD ARG A 66 48.109 19.105 31.085 1.00 19.81 C ATOM 730 NE ARG A 66 48.186 20.346 30.285 1.00 18.46 N ATOM 731 CZ ARG A 66 49.206 20.571 29.530 1.00 19.03 C ATOM 732 NH1 ARG A 66 50.348 20.038 29.856 1.00 20.41 N ATOM 733 NH2 ARG A 66 49.033 21.326 28.484 1.00 19.37 N ATOM 0 H ARG A 66 44.306 17.301 32.750 1.00 16.55 H new ATOM 0 HA ARG A 66 45.221 16.311 30.311 1.00 19.64 H new ATOM 0 HB2 ARG A 66 46.813 17.181 32.510 1.00 17.32 H new ATOM 0 HB3 ARG A 66 47.418 16.514 31.237 1.00 17.32 H new ATOM 0 HG2 ARG A 66 46.567 18.355 29.896 1.00 20.14 H new ATOM 0 HG3 ARG A 66 46.027 19.032 31.193 1.00 20.14 H new ATOM 0 HD2 ARG A 66 48.232 19.302 32.027 1.00 19.81 H new ATOM 0 HD3 ARG A 66 48.817 18.493 30.829 1.00 19.81 H new ATOM 0 HE ARG A 66 47.547 20.920 30.324 1.00 18.46 H new ATOM 0 HH11 ARG A 66 50.409 19.549 30.561 1.00 20.41 H new ATOM 0 HH12 ARG A 66 51.042 20.175 29.367 1.00 20.41 H new ATOM 0 HH21 ARG A 66 48.257 21.656 28.316 1.00 19.37 H new ATOM 0 HH22 ARG A 66 49.695 21.494 27.961 1.00 19.37 H new ATOM 747 N LEU A 67 45.224 14.003 31.006 1.00 18.18 N ATOM 748 CA LEU A 67 45.186 12.551 31.316 1.00 19.43 C ATOM 749 C LEU A 67 46.527 11.873 30.929 1.00 20.02 C ATOM 750 O LEU A 67 47.318 12.413 30.207 1.00 23.90 O ATOM 751 CB ALEU A 67 44.065 11.940 30.452 0.67 19.44 C ATOM 752 CB BLEU A 67 44.048 11.891 30.510 0.36 18.50 C ATOM 753 CG ALEU A 67 42.781 12.835 30.426 0.67 19.22 C ATOM 754 CG BLEU A 67 42.695 12.625 30.800 0.36 17.01 C ATOM 755 CD1ALEU A 67 41.754 12.249 29.441 0.67 18.23 C ATOM 756 CD1BLEU A 67 42.385 13.675 29.696 0.36 16.79 C ATOM 757 CD2ALEU A 67 42.166 12.932 31.834 0.67 19.49 C ATOM 758 CD2BLEU A 67 41.544 11.608 30.922 0.36 17.50 C ATOM 0 H LEU A 67 45.211 14.162 30.161 1.00 18.18 H new ATOM 0 HA LEU A 67 45.035 12.417 32.265 1.00 19.43 H new ATOM 0 HB2ALEU A 67 44.389 11.816 29.546 0.67 18.50 H new ATOM 0 HB2BLEU A 67 44.249 11.928 29.562 0.36 18.50 H new ATOM 0 HB3ALEU A 67 43.838 11.062 30.795 0.67 18.50 H new ATOM 0 HB3BLEU A 67 43.974 10.953 30.748 0.36 18.50 H new ATOM 0 HG ALEU A 67 43.028 13.726 30.134 0.67 17.01 H new ATOM 0 HG BLEU A 67 42.781 13.094 31.645 0.36 17.01 H new ATOM 0 HD11ALEU A 67 40.961 12.808 29.429 0.67 16.79 H new ATOM 0 HD11BLEU A 67 41.545 14.116 29.896 0.36 16.79 H new ATOM 0 HD12ALEU A 67 42.140 12.217 28.552 0.67 16.79 H new ATOM 0 HD12BLEU A 67 43.097 14.334 29.667 0.36 16.79 H new ATOM 0 HD13ALEU A 67 41.513 11.352 29.720 0.67 16.79 H new ATOM 0 HD13BLEU A 67 42.320 13.231 28.836 0.36 16.79 H new ATOM 0 HD21ALEU A 67 41.372 13.489 31.803 0.67 17.50 H new ATOM 0 HD21BLEU A 67 40.715 12.078 31.101 0.36 17.50 H new ATOM 0 HD22ALEU A 67 41.926 12.045 32.144 0.67 17.50 H new ATOM 0 HD22BLEU A 67 41.461 11.112 30.093 0.36 17.50 H new ATOM 0 HD23ALEU A 67 42.811 13.324 32.443 0.67 17.50 H new ATOM 0 HD23BLEU A 67 41.731 10.993 31.649 0.36 17.50 H new ATOM 779 N GLY A 69 46.733 10.664 31.474 1.00 19.90 N ATOM 780 CA GLY A 69 47.956 9.839 31.262 1.00 20.35 C ATOM 781 C GLY A 69 49.202 10.551 31.691 1.00 21.10 C ATOM 782 O GLY A 69 50.268 10.392 31.125 1.00 25.38 O ATOM 0 H GLY A 69 46.158 10.286 31.989 1.00 19.90 H new ATOM 0 HA2 GLY A 69 47.874 9.009 31.757 1.00 20.35 H new ATOM 0 HA3 GLY A 69 48.027 9.604 30.324 1.00 20.35 H new ATOM 786 N GLU A 70 49.052 11.330 32.705 1.00 20.04 N ATOM 787 CA GLU A 70 50.198 12.088 33.213 1.00 19.71 C ATOM 788 C GLU A 70 50.895 11.346 34.282 1.00 20.25 C ATOM 789 O GLU A 70 50.293 10.537 34.951 1.00 19.72 O ATOM 790 CB GLU A 70 49.776 13.432 33.880 1.00 18.57 C ATOM 791 CG GLU A 70 49.294 14.499 32.851 1.00 22.40 C ATOM 792 CD GLU A 70 50.524 15.201 32.199 1.00 22.19 C ATOM 793 OE1 GLU A 70 51.600 14.716 32.465 1.00 19.01 O ATOM 794 OE2 GLU A 70 50.332 16.171 31.484 1.00 19.51 O ATOM 0 H GLU A 70 48.313 11.452 33.128 1.00 20.04 H new ATOM 0 HA GLU A 70 50.758 12.240 32.436 1.00 19.71 H new ATOM 0 HB2 GLU A 70 49.065 13.261 34.518 1.00 18.57 H new ATOM 0 HB3 GLU A 70 50.527 13.789 34.380 1.00 18.57 H new ATOM 0 HG2 GLU A 70 48.752 14.078 32.166 1.00 22.40 H new ATOM 0 HG3 GLU A 70 48.733 15.156 33.293 1.00 22.40 H new ATOM 801 N ASP A 71 52.146 11.705 34.352 1.00 19.85 N ATOM 802 CA ASP A 71 53.043 11.147 35.382 1.00 20.56 C ATOM 803 C ASP A 71 53.914 12.394 35.694 1.00 20.78 C ATOM 804 O ASP A 71 53.751 13.029 36.720 1.00 20.72 O ATOM 805 CB ASP A 71 53.942 9.990 34.918 1.00 17.49 C ATOM 806 CG ASP A 71 54.634 9.519 36.251 1.00 20.47 C ATOM 807 OD1 ASP A 71 53.970 9.408 37.265 1.00 23.87 O ATOM 808 OD2 ASP A 71 55.818 9.278 36.238 1.00 20.46 O ATOM 0 H ASP A 71 52.517 12.271 33.821 1.00 19.85 H new ATOM 0 HA ASP A 71 52.548 10.753 36.117 1.00 20.56 H new ATOM 0 HB2 ASP A 71 53.427 9.277 34.510 1.00 17.49 H new ATOM 0 HB3 ASP A 71 54.592 10.282 34.260 1.00 17.49 H new ATOM 813 N ASN A 72 54.803 12.730 34.791 1.00 18.04 N ATOM 814 CA ASN A 72 55.680 13.914 35.014 1.00 17.24 C ATOM 815 C ASN A 72 54.815 14.980 34.380 1.00 19.20 C ATOM 816 O ASN A 72 54.484 14.856 33.194 1.00 18.37 O ATOM 817 CB ASN A 72 56.988 13.775 34.261 1.00 19.71 C ATOM 818 CG ASN A 72 57.822 15.017 34.614 1.00 21.66 C ATOM 819 OD1 ASN A 72 57.332 16.125 34.478 1.00 23.57 O ATOM 820 ND2 ASN A 72 59.053 14.913 35.049 1.00 21.62 N ATOM 0 H ASN A 72 54.932 12.313 34.050 1.00 18.04 H new ATOM 0 HA ASN A 72 55.937 14.071 35.936 1.00 17.24 H new ATOM 0 HB2 ASN A 72 57.451 12.962 34.519 1.00 19.71 H new ATOM 0 HB3 ASN A 72 56.833 13.722 33.305 1.00 19.71 H new ATOM 0 HD21 ASN A 72 59.505 15.621 35.235 1.00 21.62 H new ATOM 0 HD22 ASN A 72 59.410 14.137 35.149 1.00 21.62 H new ATOM 827 N ILE A 73 54.441 15.990 35.090 1.00 15.12 N ATOM 828 CA ILE A 73 53.582 17.026 34.452 1.00 14.56 C ATOM 829 C ILE A 73 54.327 18.087 33.695 1.00 15.66 C ATOM 830 O ILE A 73 53.692 18.884 33.042 1.00 18.24 O ATOM 831 CB ILE A 73 52.703 17.665 35.539 1.00 16.68 C ATOM 832 CG1 ILE A 73 53.553 18.065 36.795 1.00 18.03 C ATOM 833 CG2 ILE A 73 51.588 16.640 35.883 1.00 16.17 C ATOM 834 CD1 ILE A 73 52.679 18.830 37.802 1.00 18.28 C ATOM 0 H ILE A 73 54.645 16.125 35.915 1.00 15.12 H new ATOM 0 HA ILE A 73 53.049 16.572 33.781 1.00 14.56 H new ATOM 0 HB ILE A 73 52.305 18.491 35.222 1.00 16.68 H new ATOM 0 HG12 ILE A 73 53.920 17.270 37.213 1.00 18.03 H new ATOM 0 HG13 ILE A 73 54.304 18.616 36.524 1.00 18.03 H new ATOM 0 HG21 ILE A 73 51.010 17.009 36.569 1.00 16.17 H new ATOM 0 HG22 ILE A 73 51.066 16.451 35.088 1.00 16.17 H new ATOM 0 HG23 ILE A 73 51.991 15.820 36.207 1.00 16.17 H new ATOM 0 HD11 ILE A 73 53.213 19.073 38.575 1.00 18.28 H new ATOM 0 HD12 ILE A 73 52.331 19.633 37.384 1.00 18.28 H new ATOM 0 HD13 ILE A 73 51.941 18.267 38.083 1.00 18.28 H new ATOM 846 N ASN A 74 55.613 18.047 33.786 1.00 14.97 N ATOM 847 CA ASN A 74 56.481 19.032 33.098 1.00 15.92 C ATOM 848 C ASN A 74 57.048 18.482 31.802 1.00 15.41 C ATOM 849 O ASN A 74 57.537 19.227 30.969 1.00 16.63 O ATOM 850 CB ASN A 74 57.651 19.450 34.055 1.00 16.34 C ATOM 851 CG ASN A 74 57.235 20.614 34.910 1.00 14.17 C ATOM 852 OD1 ASN A 74 56.441 21.425 34.499 1.00 16.88 O ATOM 853 ND2 ASN A 74 57.707 20.798 36.094 1.00 14.62 N ATOM 0 H ASN A 74 56.041 17.458 34.243 1.00 14.97 H new ATOM 0 HA ASN A 74 55.939 19.804 32.874 1.00 15.92 H new ATOM 0 HB2 ASN A 74 57.901 18.700 34.618 1.00 16.34 H new ATOM 0 HB3 ASN A 74 58.434 19.687 33.534 1.00 16.34 H new ATOM 0 HD21 ASN A 74 57.454 21.477 36.557 1.00 14.62 H new ATOM 0 HD22 ASN A 74 58.275 20.242 36.422 1.00 14.62 H new ATOM 860 N VAL A 75 56.974 17.202 31.631 1.00 15.26 N ATOM 861 CA VAL A 75 57.514 16.614 30.367 1.00 17.39 C ATOM 862 C VAL A 75 56.438 15.866 29.621 1.00 17.80 C ATOM 863 O VAL A 75 55.611 15.182 30.219 1.00 24.67 O ATOM 864 CB VAL A 75 58.718 15.613 30.704 1.00 18.91 C ATOM 865 CG1 VAL A 75 59.348 15.086 29.371 1.00 15.06 C ATOM 866 CG2 VAL A 75 59.879 16.271 31.598 1.00 17.74 C ATOM 0 H VAL A 75 56.635 16.643 32.189 1.00 15.26 H new ATOM 0 HA VAL A 75 57.836 17.339 29.808 1.00 17.39 H new ATOM 0 HB VAL A 75 58.332 14.892 31.226 1.00 18.91 H new ATOM 0 HG11 VAL A 75 60.077 14.480 29.575 1.00 15.06 H new ATOM 0 HG12 VAL A 75 58.672 14.617 28.857 1.00 15.06 H new ATOM 0 HG13 VAL A 75 59.685 15.834 28.854 1.00 15.06 H new ATOM 0 HG21 VAL A 75 60.572 15.613 31.764 1.00 17.74 H new ATOM 0 HG22 VAL A 75 60.259 17.029 31.128 1.00 17.74 H new ATOM 0 HG23 VAL A 75 59.508 16.568 32.443 1.00 17.74 H new ATOM 876 N VAL A 76 56.393 15.934 28.337 1.00 19.30 N ATOM 877 CA VAL A 76 55.360 15.213 27.523 1.00 20.22 C ATOM 878 C VAL A 76 56.053 13.889 27.301 1.00 21.04 C ATOM 879 O VAL A 76 56.972 13.834 26.518 1.00 21.21 O ATOM 880 CB VAL A 76 55.134 15.944 26.177 1.00 21.01 C ATOM 881 CG1 VAL A 76 54.250 15.109 25.177 1.00 18.68 C ATOM 882 CG2 VAL A 76 54.471 17.339 26.445 1.00 22.90 C ATOM 0 H VAL A 76 56.948 16.394 27.868 1.00 19.30 H new ATOM 0 HA VAL A 76 54.485 15.146 27.937 1.00 20.22 H new ATOM 0 HB VAL A 76 56.001 16.060 25.758 1.00 21.01 H new ATOM 0 HG11 VAL A 76 54.137 15.606 24.352 1.00 18.68 H new ATOM 0 HG12 VAL A 76 54.686 14.264 24.987 1.00 18.68 H new ATOM 0 HG13 VAL A 76 53.381 14.942 25.575 1.00 18.68 H new ATOM 0 HG21 VAL A 76 54.329 17.797 25.602 1.00 22.90 H new ATOM 0 HG22 VAL A 76 53.619 17.212 26.891 1.00 22.90 H new ATOM 0 HG23 VAL A 76 55.054 17.872 27.008 1.00 22.90 H new ATOM 892 N GLU A 77 55.612 12.870 27.981 1.00 24.20 N ATOM 893 CA GLU A 77 56.233 11.541 27.842 1.00 26.28 C ATOM 894 C GLU A 77 55.518 10.685 26.854 1.00 26.09 C ATOM 895 O GLU A 77 55.806 9.513 26.762 1.00 26.53 O ATOM 896 CB GLU A 77 56.262 10.907 29.235 1.00 29.69 C ATOM 897 CG GLU A 77 57.312 11.733 30.098 1.00 31.45 C ATOM 898 CD GLU A 77 57.368 11.268 31.576 1.00 32.50 C ATOM 899 OE1 GLU A 77 56.366 11.395 32.269 1.00 28.49 O ATOM 900 OE2 GLU A 77 58.453 10.810 31.906 1.00 36.83 O ATOM 0 H GLU A 77 54.955 12.904 28.535 1.00 24.20 H new ATOM 0 HA GLU A 77 57.134 11.630 27.494 1.00 26.28 H new ATOM 0 HB2 GLU A 77 55.383 10.936 29.644 1.00 29.69 H new ATOM 0 HB3 GLU A 77 56.520 9.973 29.182 1.00 29.69 H new ATOM 0 HG2 GLU A 77 58.193 11.644 29.701 1.00 31.45 H new ATOM 0 HG3 GLU A 77 57.081 12.675 30.067 1.00 31.45 H new ATOM 907 N GLY A 78 54.593 11.269 26.145 1.00 27.05 N ATOM 908 CA GLY A 78 53.873 10.452 25.125 1.00 29.11 C ATOM 909 C GLY A 78 52.511 9.885 25.409 1.00 30.80 C ATOM 910 O GLY A 78 51.767 9.704 24.467 1.00 35.12 O ATOM 0 H GLY A 78 54.354 12.093 26.209 1.00 27.05 H new ATOM 0 HA2 GLY A 78 53.793 10.999 24.328 1.00 29.11 H new ATOM 0 HA3 GLY A 78 54.450 9.706 24.900 1.00 29.11 H new ATOM 914 N ASN A 79 52.169 9.618 26.639 1.00 27.57 N ATOM 915 CA ASN A 79 50.818 9.032 26.905 1.00 27.36 C ATOM 916 C ASN A 79 49.799 9.991 27.391 1.00 24.81 C ATOM 917 O ASN A 79 48.874 9.568 28.058 1.00 24.66 O ATOM 918 CB ASN A 79 50.940 7.947 27.945 1.00 28.99 C ATOM 919 CG ASN A 79 51.931 6.875 27.487 1.00 31.20 C ATOM 920 OD1 ASN A 79 52.791 6.482 28.251 1.00 30.45 O ATOM 921 ND2 ASN A 79 51.871 6.364 26.287 1.00 30.46 N ATOM 0 H ASN A 79 52.661 9.751 27.332 1.00 27.57 H new ATOM 0 HA ASN A 79 50.515 8.705 26.044 1.00 27.36 H new ATOM 0 HB2 ASN A 79 51.235 8.329 28.786 1.00 28.99 H new ATOM 0 HB3 ASN A 79 50.072 7.545 28.105 1.00 28.99 H new ATOM 0 HD21 ASN A 79 52.434 5.760 26.048 1.00 30.46 H new ATOM 0 HD22 ASN A 79 51.268 6.632 25.735 1.00 30.46 H new ATOM 928 N GLU A 80 49.937 11.223 27.036 1.00 22.91 N ATOM 929 CA GLU A 80 48.952 12.209 27.517 1.00 22.81 C ATOM 930 C GLU A 80 47.887 12.548 26.514 1.00 22.55 C ATOM 931 O GLU A 80 48.027 12.333 25.331 1.00 27.23 O ATOM 932 CB GLU A 80 49.593 13.527 27.869 1.00 24.18 C ATOM 933 CG GLU A 80 50.731 13.309 28.853 1.00 23.50 C ATOM 934 CD GLU A 80 52.117 13.063 28.178 1.00 21.41 C ATOM 935 OE1 GLU A 80 52.236 12.560 27.079 1.00 25.20 O ATOM 936 OE2 GLU A 80 53.061 13.401 28.837 1.00 15.37 O ATOM 0 H GLU A 80 50.563 11.532 26.534 1.00 22.91 H new ATOM 0 HA GLU A 80 48.562 11.771 28.289 1.00 22.81 H new ATOM 0 HB2 GLU A 80 49.928 13.956 27.066 1.00 24.18 H new ATOM 0 HB3 GLU A 80 48.932 14.123 28.255 1.00 24.18 H new ATOM 0 HG2 GLU A 80 50.797 14.084 29.433 1.00 23.50 H new ATOM 0 HG3 GLU A 80 50.517 12.549 29.417 1.00 23.50 H new ATOM 943 N GLN A 81 46.856 13.081 27.083 1.00 20.92 N ATOM 944 CA GLN A 81 45.653 13.535 26.380 1.00 17.08 C ATOM 945 C GLN A 81 45.318 14.813 27.140 1.00 14.55 C ATOM 946 O GLN A 81 45.107 14.757 28.336 1.00 9.91 O ATOM 947 CB GLN A 81 44.508 12.552 26.527 1.00 19.25 C ATOM 948 CG GLN A 81 44.832 11.284 25.781 1.00 20.18 C ATOM 949 CD GLN A 81 43.660 10.323 25.832 1.00 18.71 C ATOM 950 OE1 GLN A 81 42.551 10.648 25.449 1.00 19.73 O ATOM 951 NE2 GLN A 81 43.856 9.129 26.293 1.00 19.92 N ATOM 0 H GLN A 81 46.813 13.205 27.933 1.00 20.92 H new ATOM 0 HA GLN A 81 45.790 13.641 25.426 1.00 17.08 H new ATOM 0 HB2 GLN A 81 44.356 12.357 27.465 1.00 19.25 H new ATOM 0 HB3 GLN A 81 43.689 12.941 26.182 1.00 19.25 H new ATOM 0 HG2 GLN A 81 45.047 11.491 24.858 1.00 20.18 H new ATOM 0 HG3 GLN A 81 45.617 10.866 26.168 1.00 20.18 H new ATOM 0 HE21 GLN A 81 44.638 8.896 26.564 1.00 19.92 H new ATOM 0 HE22 GLN A 81 43.204 8.569 26.328 1.00 19.92 H new ATOM 960 N PHE A 82 45.295 15.900 26.442 1.00 11.44 N ATOM 961 CA PHE A 82 44.990 17.252 26.975 1.00 15.14 C ATOM 962 C PHE A 82 43.667 17.611 26.323 1.00 15.23 C ATOM 963 O PHE A 82 43.630 17.714 25.106 1.00 19.46 O ATOM 964 CB PHE A 82 46.061 18.201 26.533 1.00 16.88 C ATOM 965 CG PHE A 82 47.447 17.823 27.059 1.00 22.28 C ATOM 966 CD1 PHE A 82 48.539 18.482 26.518 1.00 24.30 C ATOM 967 CD2 PHE A 82 47.655 16.879 28.064 1.00 23.88 C ATOM 968 CE1 PHE A 82 49.808 18.207 26.975 1.00 24.88 C ATOM 969 CE2 PHE A 82 48.924 16.609 28.518 1.00 25.86 C ATOM 970 CZ PHE A 82 50.009 17.273 27.976 1.00 24.92 C ATOM 0 H PHE A 82 45.461 15.905 25.598 1.00 11.44 H new ATOM 0 HA PHE A 82 44.946 17.288 27.943 1.00 15.14 H new ATOM 0 HB2 PHE A 82 46.084 18.226 25.564 1.00 16.88 H new ATOM 0 HB3 PHE A 82 45.839 19.096 26.835 1.00 16.88 H new ATOM 0 HD1 PHE A 82 48.414 19.111 25.845 1.00 24.30 H new ATOM 0 HD2 PHE A 82 46.929 16.428 28.430 1.00 23.88 H new ATOM 0 HE1 PHE A 82 50.537 18.653 26.608 1.00 24.88 H new ATOM 0 HE2 PHE A 82 49.053 15.979 29.190 1.00 25.86 H new ATOM 0 HZ PHE A 82 50.868 17.093 28.282 1.00 24.92 H new ATOM 980 N ILE A 83 42.647 17.789 27.111 1.00 17.67 N ATOM 981 CA ILE A 83 41.301 18.133 26.577 1.00 16.21 C ATOM 982 C ILE A 83 40.764 19.284 27.378 1.00 16.69 C ATOM 983 O ILE A 83 40.953 19.304 28.577 1.00 23.11 O ATOM 984 CB ILE A 83 40.465 16.896 26.730 1.00 16.40 C ATOM 985 CG1 ILE A 83 41.204 15.729 26.048 1.00 16.46 C ATOM 986 CG2 ILE A 83 39.024 17.079 26.117 1.00 18.19 C ATOM 987 CD1 ILE A 83 40.490 14.428 26.327 1.00 17.44 C ATOM 0 H ILE A 83 42.684 17.721 27.968 1.00 17.67 H new ATOM 0 HA ILE A 83 41.311 18.404 25.646 1.00 16.21 H new ATOM 0 HB ILE A 83 40.341 16.711 27.674 1.00 16.40 H new ATOM 0 HG12 ILE A 83 41.251 15.882 25.091 1.00 16.46 H new ATOM 0 HG13 ILE A 83 42.117 15.681 26.373 1.00 16.46 H new ATOM 0 HG21 ILE A 83 38.516 16.261 26.235 1.00 18.19 H new ATOM 0 HG22 ILE A 83 38.571 17.809 26.568 1.00 18.19 H new ATOM 0 HG23 ILE A 83 39.098 17.280 25.171 1.00 18.19 H new ATOM 0 HD11 ILE A 83 40.962 13.700 25.894 1.00 17.44 H new ATOM 0 HD12 ILE A 83 40.464 14.272 27.284 1.00 17.44 H new ATOM 0 HD13 ILE A 83 39.584 14.475 25.983 1.00 17.44 H new ATOM 999 N SER A 84 40.121 20.212 26.762 1.00 15.90 N ATOM 1000 CA SER A 84 39.592 21.335 27.560 1.00 19.54 C ATOM 1001 C SER A 84 38.205 20.913 28.054 1.00 19.78 C ATOM 1002 O SER A 84 37.589 20.009 27.512 1.00 21.04 O ATOM 1003 CB SER A 84 39.483 22.584 26.669 1.00 21.68 C ATOM 1004 OG SER A 84 40.805 22.763 26.155 1.00 25.21 O ATOM 0 H SER A 84 39.967 20.242 25.916 1.00 15.90 H new ATOM 0 HA SER A 84 40.172 21.546 28.308 1.00 19.54 H new ATOM 0 HB2 SER A 84 38.839 22.455 25.955 1.00 21.68 H new ATOM 0 HB3 SER A 84 39.192 23.358 27.177 1.00 21.68 H new ATOM 0 HG SER A 84 40.822 23.435 25.652 1.00 25.21 H new ATOM 1010 N ALA A 85 37.758 21.588 29.082 1.00 20.56 N ATOM 1011 CA ALA A 85 36.411 21.289 29.679 1.00 20.82 C ATOM 1012 C ALA A 85 35.366 22.082 28.904 1.00 17.63 C ATOM 1013 O ALA A 85 35.652 23.162 28.449 1.00 21.61 O ATOM 1014 CB ALA A 85 36.355 21.746 31.127 1.00 16.72 C ATOM 0 H ALA A 85 38.190 22.223 29.469 1.00 20.56 H new ATOM 0 HA ALA A 85 36.249 20.334 29.635 1.00 20.82 H new ATOM 0 HB1 ALA A 85 35.481 21.546 31.496 1.00 16.72 H new ATOM 0 HB2 ALA A 85 37.036 21.282 31.639 1.00 16.72 H new ATOM 0 HB3 ALA A 85 36.513 22.702 31.171 1.00 16.72 H new ATOM 1020 N SER A 86 34.190 21.560 28.782 1.00 23.91 N ATOM 1021 CA SER A 86 33.100 22.269 28.035 1.00 22.59 C ATOM 1022 C SER A 86 32.277 22.910 29.110 1.00 22.73 C ATOM 1023 O SER A 86 31.713 23.968 28.898 1.00 24.04 O ATOM 1024 CB SER A 86 32.269 21.236 27.209 1.00 22.00 C ATOM 1025 OG SER A 86 32.214 20.045 28.013 1.00 24.34 O ATOM 0 H SER A 86 33.963 20.798 29.110 1.00 23.91 H new ATOM 0 HA SER A 86 33.428 22.923 27.399 1.00 22.59 H new ATOM 0 HB2 SER A 86 31.378 21.573 27.025 1.00 22.00 H new ATOM 0 HB3 SER A 86 32.687 21.058 26.352 1.00 22.00 H new ATOM 0 HG SER A 86 32.577 19.410 27.599 1.00 24.34 H new ATOM 1031 N LYS A 87 32.202 22.256 30.242 1.00 22.52 N ATOM 1032 CA LYS A 87 31.429 22.829 31.366 1.00 20.12 C ATOM 1033 C LYS A 87 31.874 22.293 32.739 1.00 19.04 C ATOM 1034 O LYS A 87 32.364 21.177 32.790 1.00 12.80 O ATOM 1035 CB LYS A 87 29.960 22.535 31.149 1.00 20.78 C ATOM 1036 CG LYS A 87 29.567 21.102 31.286 1.00 23.60 C ATOM 1037 CD LYS A 87 28.052 21.047 30.895 1.00 26.10 C ATOM 1038 CE LYS A 87 27.150 22.130 31.657 1.00 28.14 C ATOM 1039 NZ LYS A 87 25.802 22.131 31.047 1.00 26.99 N ATOM 0 H LYS A 87 32.574 21.497 30.399 1.00 22.52 H new ATOM 0 HA LYS A 87 31.592 23.785 31.378 1.00 20.12 H new ATOM 0 HB2 LYS A 87 29.444 23.058 31.782 1.00 20.78 H new ATOM 0 HB3 LYS A 87 29.712 22.839 30.262 1.00 20.78 H new ATOM 0 HG2 LYS A 87 30.099 20.536 30.704 1.00 23.60 H new ATOM 0 HG3 LYS A 87 29.706 20.787 32.193 1.00 23.60 H new ATOM 0 HD2 LYS A 87 27.968 21.184 29.938 1.00 26.10 H new ATOM 0 HD3 LYS A 87 27.709 20.160 31.086 1.00 26.10 H new ATOM 0 HE2 LYS A 87 27.092 21.916 32.601 1.00 28.14 H new ATOM 0 HE3 LYS A 87 27.551 23.011 31.589 1.00 28.14 H new ATOM 0 HZ1 LYS A 87 25.416 22.922 31.181 1.00 26.99 H new ATOM 0 HZ2 LYS A 87 25.871 21.979 30.173 1.00 26.99 H new ATOM 0 HZ3 LYS A 87 25.307 21.493 31.420 1.00 26.99 H new ATOM 1053 N SER A 88 31.674 23.109 33.749 1.00 19.63 N ATOM 1054 CA SER A 88 32.025 22.785 35.168 1.00 20.13 C ATOM 1055 C SER A 88 30.732 22.977 35.953 1.00 20.19 C ATOM 1056 O SER A 88 30.090 23.998 35.734 1.00 17.20 O ATOM 1057 CB SER A 88 33.049 23.765 35.756 1.00 21.95 C ATOM 1058 OG SER A 88 34.169 23.654 34.885 1.00 27.28 O ATOM 0 H SER A 88 31.325 23.889 33.655 1.00 19.63 H new ATOM 0 HA SER A 88 32.403 21.893 35.213 1.00 20.13 H new ATOM 0 HB2 SER A 88 32.703 24.671 35.776 1.00 21.95 H new ATOM 0 HB3 SER A 88 33.283 23.530 36.668 1.00 21.95 H new ATOM 0 HG SER A 88 34.779 24.170 35.145 1.00 27.28 H new ATOM 1064 N ILE A 89 30.407 22.030 36.808 1.00 17.86 N ATOM 1065 CA ILE A 89 29.165 22.104 37.632 1.00 16.65 C ATOM 1066 C ILE A 89 29.605 21.989 39.084 1.00 16.78 C ATOM 1067 O ILE A 89 30.038 20.931 39.495 1.00 11.36 O ATOM 1068 CB ILE A 89 28.210 20.924 37.264 1.00 17.76 C ATOM 1069 CG1 ILE A 89 27.907 20.997 35.722 1.00 21.78 C ATOM 1070 CG2 ILE A 89 26.883 21.076 38.029 1.00 17.49 C ATOM 1071 CD1 ILE A 89 27.209 19.681 35.250 1.00 22.29 C ATOM 0 H ILE A 89 30.879 21.324 36.943 1.00 17.86 H new ATOM 0 HA ILE A 89 28.685 22.932 37.475 1.00 16.65 H new ATOM 0 HB ILE A 89 28.626 20.079 37.496 1.00 17.76 H new ATOM 0 HG12 ILE A 89 27.338 21.759 35.533 1.00 21.78 H new ATOM 0 HG13 ILE A 89 28.732 21.129 35.229 1.00 21.78 H new ATOM 0 HG21 ILE A 89 26.291 20.343 37.799 1.00 17.49 H new ATOM 0 HG22 ILE A 89 27.056 21.065 38.983 1.00 17.49 H new ATOM 0 HG23 ILE A 89 26.464 21.917 37.787 1.00 17.49 H new ATOM 0 HD11 ILE A 89 27.026 19.735 34.299 1.00 22.29 H new ATOM 0 HD12 ILE A 89 27.791 18.925 35.425 1.00 22.29 H new ATOM 0 HD13 ILE A 89 26.376 19.565 35.733 1.00 22.29 H new ATOM 1083 N VAL A 90 29.519 23.053 39.810 1.00 13.46 N ATOM 1084 CA VAL A 90 29.920 22.958 41.232 1.00 13.85 C ATOM 1085 C VAL A 90 28.654 22.447 41.924 1.00 13.00 C ATOM 1086 O VAL A 90 27.552 22.737 41.506 1.00 14.80 O ATOM 1087 CB VAL A 90 30.273 24.341 41.711 1.00 12.71 C ATOM 1088 CG1 VAL A 90 30.230 24.404 43.273 1.00 12.66 C ATOM 1089 CG2 VAL A 90 31.658 24.771 41.118 1.00 12.39 C ATOM 0 H VAL A 90 29.247 23.824 39.543 1.00 13.46 H new ATOM 0 HA VAL A 90 30.684 22.384 41.400 1.00 13.85 H new ATOM 0 HB VAL A 90 29.616 24.979 41.392 1.00 12.71 H new ATOM 0 HG11 VAL A 90 30.459 25.299 43.567 1.00 12.66 H new ATOM 0 HG12 VAL A 90 29.338 24.181 43.582 1.00 12.66 H new ATOM 0 HG13 VAL A 90 30.866 23.771 43.640 1.00 12.66 H new ATOM 0 HG21 VAL A 90 31.881 25.662 41.429 1.00 12.39 H new ATOM 0 HG22 VAL A 90 32.342 24.147 41.408 1.00 12.39 H new ATOM 0 HG23 VAL A 90 31.610 24.770 40.149 1.00 12.39 H new ATOM 1099 N HIS A 91 28.831 21.708 42.976 1.00 11.39 N ATOM 1100 CA HIS A 91 27.665 21.161 43.726 1.00 14.64 C ATOM 1101 C HIS A 91 26.751 22.342 44.120 1.00 14.60 C ATOM 1102 O HIS A 91 27.235 23.362 44.592 1.00 19.41 O ATOM 1103 CB HIS A 91 28.158 20.428 45.007 1.00 12.38 C ATOM 1104 CG HIS A 91 26.957 19.736 45.642 1.00 13.45 C ATOM 1105 ND1 HIS A 91 26.150 20.349 46.480 1.00 18.00 N ATOM 1106 CD2 HIS A 91 26.518 18.454 45.413 1.00 16.42 C ATOM 1107 CE1 HIS A 91 25.228 19.470 46.768 1.00 16.57 C ATOM 1108 NE2 HIS A 91 25.444 18.356 46.141 1.00 18.47 N ATOM 0 H HIS A 91 29.600 21.494 43.296 1.00 11.39 H new ATOM 0 HA HIS A 91 27.179 20.528 43.175 1.00 14.64 H new ATOM 0 HB2 HIS A 91 28.845 19.780 44.784 1.00 12.38 H new ATOM 0 HB3 HIS A 91 28.554 21.059 45.628 1.00 12.38 H new ATOM 0 HD2 HIS A 91 26.900 17.807 44.865 1.00 16.42 H new ATOM 0 HE1 HIS A 91 24.514 19.622 47.344 1.00 16.57 H new ATOM 0 HE2 HIS A 91 24.950 17.655 46.198 1.00 18.47 H new ATOM 1116 N PRO A 92 25.466 22.215 43.924 1.00 13.91 N ATOM 1117 CA PRO A 92 24.519 23.304 44.248 1.00 16.08 C ATOM 1118 C PRO A 92 24.630 23.772 45.715 1.00 15.55 C ATOM 1119 O PRO A 92 24.446 24.935 45.982 1.00 15.62 O ATOM 1120 CB PRO A 92 23.143 22.701 43.827 1.00 16.84 C ATOM 1121 CG PRO A 92 23.371 21.173 43.904 1.00 16.47 C ATOM 1122 CD PRO A 92 24.777 21.022 43.377 1.00 15.97 C ATOM 0 HA PRO A 92 24.691 24.136 43.780 1.00 16.08 H new ATOM 0 HB2 PRO A 92 22.432 22.985 44.423 1.00 16.84 H new ATOM 0 HB3 PRO A 92 22.891 22.979 42.932 1.00 16.84 H new ATOM 0 HG2 PRO A 92 23.289 20.841 44.812 1.00 16.47 H new ATOM 0 HG3 PRO A 92 22.729 20.685 43.365 1.00 16.47 H new ATOM 0 HD2 PRO A 92 25.188 20.198 43.682 1.00 15.97 H new ATOM 0 HD3 PRO A 92 24.798 21.008 42.407 1.00 15.97 H new ATOM 1130 N SER A 93 24.946 22.883 46.620 1.00 17.04 N ATOM 1131 CA SER A 93 25.066 23.255 48.054 1.00 15.53 C ATOM 1132 C SER A 93 26.508 23.395 48.563 1.00 16.16 C ATOM 1133 O SER A 93 26.766 23.164 49.723 1.00 14.64 O ATOM 1134 CB SER A 93 24.350 22.183 48.923 1.00 18.28 C ATOM 1135 OG SER A 93 23.095 21.876 48.308 1.00 19.10 O ATOM 0 H SER A 93 25.100 22.054 46.450 1.00 17.04 H new ATOM 0 HA SER A 93 24.656 24.131 48.131 1.00 15.53 H new ATOM 0 HB2 SER A 93 24.896 21.385 48.994 1.00 18.28 H new ATOM 0 HB3 SER A 93 24.213 22.514 49.824 1.00 18.28 H new ATOM 0 HG SER A 93 22.694 21.296 48.764 1.00 19.10 H new ATOM 1141 N TYR A 94 27.410 23.765 47.711 1.00 16.22 N ATOM 1142 CA TYR A 94 28.821 23.923 48.146 1.00 17.14 C ATOM 1143 C TYR A 94 28.954 25.233 48.944 1.00 17.15 C ATOM 1144 O TYR A 94 28.549 26.299 48.511 1.00 14.65 O ATOM 1145 CB TYR A 94 29.752 23.974 46.904 1.00 14.78 C ATOM 1146 CG TYR A 94 31.148 24.463 47.329 1.00 13.50 C ATOM 1147 CD1 TYR A 94 31.615 25.654 46.856 1.00 13.07 C ATOM 1148 CD2 TYR A 94 31.962 23.708 48.150 1.00 12.32 C ATOM 1149 CE1 TYR A 94 32.863 26.086 47.180 1.00 13.40 C ATOM 1150 CE2 TYR A 94 33.218 24.146 48.473 1.00 9.44 C ATOM 1151 CZ TYR A 94 33.670 25.335 47.985 1.00 10.24 C ATOM 1152 OH TYR A 94 34.918 25.821 48.258 1.00 11.94 O ATOM 0 H TYR A 94 27.261 23.935 46.881 1.00 16.22 H new ATOM 0 HA TYR A 94 29.077 23.171 48.702 1.00 17.14 H new ATOM 0 HB2 TYR A 94 29.816 23.095 46.499 1.00 14.78 H new ATOM 0 HB3 TYR A 94 29.381 24.569 46.234 1.00 14.78 H new ATOM 0 HD1 TYR A 94 31.075 26.175 46.307 1.00 13.07 H new ATOM 0 HD2 TYR A 94 31.655 22.897 48.486 1.00 12.32 H new ATOM 0 HE1 TYR A 94 33.169 26.900 46.850 1.00 13.40 H new ATOM 0 HE2 TYR A 94 33.762 23.632 49.025 1.00 9.44 H new ATOM 0 HH TYR A 94 35.302 26.027 47.540 1.00 11.94 H new ATOM 1162 N ASN A 95 29.545 25.107 50.093 1.00 16.46 N ATOM 1163 CA ASN A 95 29.761 26.262 51.002 1.00 18.26 C ATOM 1164 C ASN A 95 31.260 26.499 51.003 1.00 17.22 C ATOM 1165 O ASN A 95 31.994 25.734 51.592 1.00 18.95 O ATOM 1166 CB ASN A 95 29.281 25.879 52.412 1.00 15.98 C ATOM 1167 CG ASN A 95 29.284 27.083 53.316 1.00 17.82 C ATOM 1168 OD1 ASN A 95 30.231 27.829 53.431 1.00 15.44 O ATOM 1169 ND2 ASN A 95 28.214 27.316 54.006 1.00 25.39 N ATOM 0 H ASN A 95 29.844 24.360 50.396 1.00 16.46 H new ATOM 0 HA ASN A 95 29.278 27.055 50.723 1.00 18.26 H new ATOM 0 HB2 ASN A 95 28.387 25.506 52.365 1.00 15.98 H new ATOM 0 HB3 ASN A 95 29.857 25.190 52.780 1.00 15.98 H new ATOM 0 HD21 ASN A 95 28.183 27.992 54.536 1.00 25.39 H new ATOM 0 HD22 ASN A 95 27.534 26.794 53.934 1.00 25.39 H new ATOM 1176 N SER A 96 31.730 27.516 50.356 1.00 21.25 N ATOM 1177 CA SER A 96 33.198 27.756 50.346 1.00 21.54 C ATOM 1178 C SER A 96 33.757 28.078 51.730 1.00 23.99 C ATOM 1179 O SER A 96 34.956 28.037 51.928 1.00 28.61 O ATOM 1180 CB SER A 96 33.500 28.911 49.384 1.00 21.47 C ATOM 1181 OG SER A 96 32.755 30.055 49.805 1.00 19.28 O ATOM 0 H SER A 96 31.258 28.085 49.917 1.00 21.25 H new ATOM 0 HA SER A 96 33.630 26.938 50.055 1.00 21.54 H new ATOM 0 HB2 SER A 96 34.450 29.109 49.382 1.00 21.47 H new ATOM 0 HB3 SER A 96 33.259 28.666 48.477 1.00 21.47 H new ATOM 0 HG SER A 96 32.515 30.497 49.132 1.00 19.28 H new ATOM 1187 N ASN A 97 32.899 28.386 52.657 1.00 23.88 N ATOM 1188 CA ASN A 97 33.392 28.711 54.013 1.00 24.91 C ATOM 1189 C ASN A 97 33.576 27.460 54.819 1.00 26.32 C ATOM 1190 O ASN A 97 34.595 27.345 55.473 1.00 30.08 O ATOM 1191 CB ASN A 97 32.403 29.609 54.802 1.00 26.08 C ATOM 1192 CG ASN A 97 32.495 31.031 54.311 1.00 23.29 C ATOM 1193 OD1 ASN A 97 31.514 31.737 54.311 1.00 26.90 O ATOM 1194 ND2 ASN A 97 33.605 31.539 53.894 1.00 26.15 N ATOM 0 H ASN A 97 32.046 28.420 52.553 1.00 23.88 H new ATOM 0 HA ASN A 97 34.231 29.181 53.885 1.00 24.91 H new ATOM 0 HB2 ASN A 97 31.497 29.279 54.693 1.00 26.08 H new ATOM 0 HB3 ASN A 97 32.606 29.572 55.750 1.00 26.08 H new ATOM 0 HD21 ASN A 97 33.631 32.356 53.627 1.00 26.15 H new ATOM 0 HD22 ASN A 97 34.319 31.060 53.883 1.00 26.15 H new ATOM 1201 N THR A 98 32.655 26.539 54.798 1.00 21.71 N ATOM 1202 CA THR A 98 32.903 25.327 55.626 1.00 19.93 C ATOM 1203 C THR A 98 33.446 24.192 54.764 1.00 22.18 C ATOM 1204 O THR A 98 33.881 23.185 55.297 1.00 27.09 O ATOM 1205 CB THR A 98 31.582 24.969 56.274 1.00 18.44 C ATOM 1206 OG1 THR A 98 30.659 24.822 55.206 1.00 22.78 O ATOM 1207 CG2 THR A 98 31.032 26.188 57.011 1.00 14.29 C ATOM 0 H THR A 98 31.919 26.561 54.354 1.00 21.71 H new ATOM 0 HA THR A 98 33.574 25.490 56.307 1.00 19.93 H new ATOM 0 HB THR A 98 31.696 24.198 56.852 1.00 18.44 H new ATOM 0 HG1 THR A 98 29.904 24.620 55.514 1.00 22.78 H new ATOM 0 HG21 THR A 98 30.186 25.960 57.427 1.00 14.29 H new ATOM 0 HG22 THR A 98 31.663 26.465 57.694 1.00 14.29 H new ATOM 0 HG23 THR A 98 30.898 26.914 56.381 1.00 14.29 H new ATOM 1215 N LEU A 99 33.411 24.416 53.483 1.00 19.35 N ATOM 1216 CA LEU A 99 33.873 23.452 52.447 1.00 18.66 C ATOM 1217 C LEU A 99 32.963 22.279 52.474 1.00 15.61 C ATOM 1218 O LEU A 99 33.365 21.180 52.136 1.00 15.11 O ATOM 1219 CB LEU A 99 35.341 22.924 52.649 1.00 21.42 C ATOM 1220 CG LEU A 99 36.426 23.981 52.259 1.00 23.01 C ATOM 1221 CD1 LEU A 99 37.547 23.274 51.454 1.00 23.36 C ATOM 1222 CD2 LEU A 99 35.914 25.102 51.372 1.00 24.86 C ATOM 0 H LEU A 99 33.112 25.151 53.150 1.00 19.35 H new ATOM 0 HA LEU A 99 33.863 23.931 51.603 1.00 18.66 H new ATOM 0 HB2 LEU A 99 35.463 22.669 53.577 1.00 21.42 H new ATOM 0 HB3 LEU A 99 35.469 22.124 52.115 1.00 21.42 H new ATOM 0 HG LEU A 99 36.728 24.367 53.096 1.00 23.01 H new ATOM 0 HD11 LEU A 99 38.226 23.921 51.207 1.00 23.36 H new ATOM 0 HD12 LEU A 99 37.947 22.578 51.999 1.00 23.36 H new ATOM 0 HD13 LEU A 99 37.170 22.879 50.652 1.00 23.36 H new ATOM 0 HD21 LEU A 99 36.639 25.715 51.173 1.00 24.86 H new ATOM 0 HD22 LEU A 99 35.571 24.729 50.545 1.00 24.86 H new ATOM 0 HD23 LEU A 99 35.205 25.579 51.830 1.00 24.86 H new ATOM 1234 N ASN A 100 31.745 22.533 52.873 1.00 10.86 N ATOM 1235 CA ASN A 100 30.805 21.399 52.905 1.00 11.40 C ATOM 1236 C ASN A 100 30.335 21.280 51.435 1.00 14.61 C ATOM 1237 O ASN A 100 30.163 22.282 50.764 1.00 14.54 O ATOM 1238 CB ASN A 100 29.697 21.763 53.902 1.00 14.05 C ATOM 1239 CG ASN A 100 28.675 20.648 54.091 1.00 14.10 C ATOM 1240 OD1 ASN A 100 28.982 19.469 54.039 1.00 17.54 O ATOM 1241 ND2 ASN A 100 27.433 20.966 54.332 1.00 13.58 N ATOM 0 H ASN A 100 31.437 23.297 53.119 1.00 10.86 H new ATOM 0 HA ASN A 100 31.161 20.546 53.200 1.00 11.40 H new ATOM 0 HB2 ASN A 100 30.098 21.976 54.759 1.00 14.05 H new ATOM 0 HB3 ASN A 100 29.242 22.563 53.595 1.00 14.05 H new ATOM 0 HD21 ASN A 100 26.846 20.349 54.451 1.00 13.58 H new ATOM 0 HD22 ASN A 100 27.201 21.793 54.372 1.00 13.58 H new ATOM 1248 N ASN A 101 30.174 20.048 51.010 1.00 14.57 N ATOM 1249 CA ASN A 101 29.737 19.589 49.627 1.00 16.30 C ATOM 1250 C ASN A 101 30.781 20.067 48.615 1.00 15.33 C ATOM 1251 O ASN A 101 30.553 20.611 47.542 1.00 14.36 O ATOM 1252 CB ASN A 101 28.367 20.174 49.229 1.00 14.91 C ATOM 1253 CG ASN A 101 27.296 19.761 50.223 1.00 13.29 C ATOM 1254 OD1 ASN A 101 26.954 18.610 50.433 1.00 11.53 O ATOM 1255 ND2 ASN A 101 26.716 20.706 50.890 1.00 14.49 N ATOM 0 H ASN A 101 30.318 19.380 51.532 1.00 14.57 H new ATOM 0 HA ASN A 101 29.658 18.622 49.637 1.00 16.30 H new ATOM 0 HB2 ASN A 101 28.423 21.142 49.190 1.00 14.91 H new ATOM 0 HB3 ASN A 101 28.125 19.868 48.341 1.00 14.91 H new ATOM 0 HD21 ASN A 101 26.106 20.514 51.465 1.00 14.49 H new ATOM 0 HD22 ASN A 101 26.941 21.526 50.759 1.00 14.49 H new ATOM 1262 N ASP A 102 31.984 19.804 48.998 1.00 12.81 N ATOM 1263 CA ASP A 102 33.119 20.204 48.146 1.00 12.03 C ATOM 1264 C ASP A 102 33.393 19.231 47.003 1.00 15.44 C ATOM 1265 O ASP A 102 34.354 18.482 47.047 1.00 17.27 O ATOM 1266 CB ASP A 102 34.378 20.345 49.076 1.00 11.99 C ATOM 1267 CG ASP A 102 35.657 20.813 48.312 1.00 11.47 C ATOM 1268 OD1 ASP A 102 35.465 21.513 47.328 1.00 10.66 O ATOM 1269 OD2 ASP A 102 36.734 20.447 48.783 1.00 14.54 O ATOM 0 H ASP A 102 32.194 19.403 49.729 1.00 12.81 H new ATOM 0 HA ASP A 102 32.902 21.045 47.714 1.00 12.03 H new ATOM 0 HB2 ASP A 102 34.181 20.979 49.784 1.00 11.99 H new ATOM 0 HB3 ASP A 102 34.556 19.491 49.501 1.00 11.99 H new ATOM 1274 N ILE A 103 32.532 19.265 46.027 1.00 14.54 N ATOM 1275 CA ILE A 103 32.691 18.381 44.855 1.00 13.49 C ATOM 1276 C ILE A 103 32.268 19.188 43.574 1.00 14.37 C ATOM 1277 O ILE A 103 31.432 20.069 43.654 1.00 17.80 O ATOM 1278 CB ILE A 103 31.830 17.129 45.114 1.00 12.48 C ATOM 1279 CG1 ILE A 103 31.938 16.171 43.875 1.00 14.22 C ATOM 1280 CG2 ILE A 103 30.364 17.447 45.456 1.00 11.34 C ATOM 1281 CD1 ILE A 103 31.302 14.835 44.243 1.00 15.30 C ATOM 0 H ILE A 103 31.845 19.781 46.001 1.00 14.54 H new ATOM 0 HA ILE A 103 33.605 18.088 44.712 1.00 13.49 H new ATOM 0 HB ILE A 103 32.180 16.689 45.905 1.00 12.48 H new ATOM 0 HG12 ILE A 103 31.488 16.559 43.108 1.00 14.22 H new ATOM 0 HG13 ILE A 103 32.867 16.045 43.625 1.00 14.22 H new ATOM 0 HG21 ILE A 103 29.880 16.620 45.607 1.00 11.34 H new ATOM 0 HG22 ILE A 103 30.329 17.992 46.258 1.00 11.34 H new ATOM 0 HG23 ILE A 103 29.957 17.930 44.720 1.00 11.34 H new ATOM 0 HD11 ILE A 103 31.360 14.230 43.487 1.00 15.30 H new ATOM 0 HD12 ILE A 103 31.770 14.451 45.001 1.00 15.30 H new ATOM 0 HD13 ILE A 103 30.370 14.973 44.475 1.00 15.30 H new ATOM 1293 N MET A 104 32.832 18.919 42.403 1.00 14.70 N ATOM 1294 CA MET A 104 32.458 19.628 41.166 1.00 12.57 C ATOM 1295 C MET A 104 32.669 18.622 40.052 1.00 13.89 C ATOM 1296 O MET A 104 33.534 17.782 40.177 1.00 15.91 O ATOM 1297 CB AMET A 104 33.394 20.860 41.028 0.68 14.92 C ATOM 1298 CB BMET A 104 33.318 20.917 40.938 0.30 12.10 C ATOM 1299 CG AMET A 104 33.565 21.410 39.616 0.68 14.98 C ATOM 1300 CG BMET A 104 34.673 20.759 40.272 0.30 11.30 C ATOM 1301 SD AMET A 104 34.749 22.768 39.526 0.68 15.14 S ATOM 1302 SD BMET A 104 35.513 22.348 40.085 0.30 13.19 S ATOM 1303 CE AMET A 104 36.337 21.919 39.680 0.68 19.51 C ATOM 1304 CE BMET A 104 34.400 23.140 38.904 0.30 15.29 C ATOM 0 H MET A 104 33.442 18.323 42.295 1.00 14.70 H new ATOM 0 HA MET A 104 31.543 19.951 41.152 1.00 12.57 H new ATOM 0 HB2AMET A 104 33.052 21.570 41.594 0.68 12.10 H new ATOM 0 HB2BMET A 104 32.794 21.534 40.403 0.30 12.10 H new ATOM 0 HB3AMET A 104 34.269 20.620 41.371 0.68 12.10 H new ATOM 0 HB3BMET A 104 33.458 21.338 41.801 0.30 12.10 H new ATOM 0 HG2AMET A 104 33.856 20.695 39.029 0.68 11.30 H new ATOM 0 HG2BMET A 104 35.225 20.160 40.799 0.30 11.30 H new ATOM 0 HG3AMET A 104 32.705 21.715 39.287 0.68 11.30 H new ATOM 0 HG3BMET A 104 34.560 20.348 39.401 0.30 11.30 H new ATOM 0 HE1AMET A 104 36.872 22.354 40.363 0.68 15.29 H new ATOM 0 HE1BMET A 104 34.920 23.622 38.242 0.30 15.29 H new ATOM 0 HE2AMET A 104 36.187 20.994 39.929 0.68 15.29 H new ATOM 0 HE2BMET A 104 33.862 22.464 38.462 0.30 15.29 H new ATOM 0 HE3AMET A 104 36.806 21.953 38.832 0.68 15.29 H new ATOM 0 HE3BMET A 104 33.819 23.760 39.372 0.30 15.29 H new ATOM 1321 N LEU A 105 31.929 18.706 39.038 1.00 15.54 N ATOM 1322 CA LEU A 105 31.985 17.803 37.854 1.00 14.27 C ATOM 1323 C LEU A 105 32.469 18.674 36.712 1.00 14.23 C ATOM 1324 O LEU A 105 32.143 19.849 36.669 1.00 17.73 O ATOM 1325 CB LEU A 105 30.579 17.238 37.474 1.00 15.00 C ATOM 1326 CG LEU A 105 30.093 16.172 38.499 1.00 15.73 C ATOM 1327 CD1 LEU A 105 28.635 15.820 38.191 1.00 16.67 C ATOM 1328 CD2 LEU A 105 30.941 14.874 38.364 1.00 20.22 C ATOM 0 H LEU A 105 31.323 19.312 38.964 1.00 15.54 H new ATOM 0 HA LEU A 105 32.558 17.043 38.041 1.00 14.27 H new ATOM 0 HB2 LEU A 105 29.938 17.965 37.433 1.00 15.00 H new ATOM 0 HB3 LEU A 105 30.617 16.843 36.589 1.00 15.00 H new ATOM 0 HG LEU A 105 30.183 16.531 39.396 1.00 15.73 H new ATOM 0 HD11 LEU A 105 28.322 15.156 38.824 1.00 16.67 H new ATOM 0 HD12 LEU A 105 28.087 16.618 38.262 1.00 16.67 H new ATOM 0 HD13 LEU A 105 28.571 15.463 37.291 1.00 16.67 H new ATOM 0 HD21 LEU A 105 30.631 14.216 39.006 1.00 20.22 H new ATOM 0 HD22 LEU A 105 30.847 14.518 37.467 1.00 20.22 H new ATOM 0 HD23 LEU A 105 31.874 15.077 38.535 1.00 20.22 H new ATOM 1340 N ILE A 106 33.208 18.032 35.855 1.00 14.63 N ATOM 1341 CA ILE A 106 33.800 18.665 34.665 1.00 14.48 C ATOM 1342 C ILE A 106 33.506 17.775 33.455 1.00 14.52 C ATOM 1343 O ILE A 106 33.791 16.589 33.472 1.00 13.14 O ATOM 1344 CB ILE A 106 35.340 18.798 34.900 1.00 14.37 C ATOM 1345 CG1 ILE A 106 35.642 19.689 36.148 1.00 18.04 C ATOM 1346 CG2 ILE A 106 36.035 19.405 33.676 1.00 16.64 C ATOM 1347 CD1 ILE A 106 37.134 19.605 36.509 1.00 18.47 C ATOM 0 H ILE A 106 33.397 17.196 35.931 1.00 14.63 H new ATOM 0 HA ILE A 106 33.428 19.547 34.505 1.00 14.48 H new ATOM 0 HB ILE A 106 35.683 17.904 35.053 1.00 14.37 H new ATOM 0 HG12 ILE A 106 35.398 20.610 35.964 1.00 18.04 H new ATOM 0 HG13 ILE A 106 35.103 19.398 36.900 1.00 18.04 H new ATOM 0 HG21 ILE A 106 36.987 19.477 33.847 1.00 16.64 H new ATOM 0 HG22 ILE A 106 35.887 18.836 32.904 1.00 16.64 H new ATOM 0 HG23 ILE A 106 35.671 20.287 33.501 1.00 16.64 H new ATOM 0 HD11 ILE A 106 37.311 20.161 37.284 1.00 18.47 H new ATOM 0 HD12 ILE A 106 37.367 18.685 36.711 1.00 18.47 H new ATOM 0 HD13 ILE A 106 37.666 19.916 35.760 1.00 18.47 H new ATOM 1359 N LYS A 107 32.934 18.366 32.452 1.00 12.37 N ATOM 1360 CA LYS A 107 32.624 17.612 31.237 1.00 12.34 C ATOM 1361 C LYS A 107 33.787 17.999 30.285 1.00 15.55 C ATOM 1362 O LYS A 107 34.284 19.116 30.278 1.00 19.46 O ATOM 1363 CB LYS A 107 31.315 18.085 30.665 1.00 15.83 C ATOM 1364 CG LYS A 107 30.908 17.058 29.586 1.00 15.63 C ATOM 1365 CD LYS A 107 29.615 17.460 28.893 1.00 17.33 C ATOM 1366 CE LYS A 107 29.215 16.242 28.008 1.00 20.93 C ATOM 1367 NZ LYS A 107 28.036 16.532 27.136 1.00 22.98 N ATOM 0 H LYS A 107 32.710 19.196 32.434 1.00 12.37 H new ATOM 0 HA LYS A 107 32.543 16.656 31.382 1.00 12.34 H new ATOM 0 HB2 LYS A 107 30.638 18.145 31.357 1.00 15.83 H new ATOM 0 HB3 LYS A 107 31.407 18.971 30.281 1.00 15.83 H new ATOM 0 HG2 LYS A 107 31.617 16.979 28.929 1.00 15.63 H new ATOM 0 HG3 LYS A 107 30.800 16.184 29.994 1.00 15.63 H new ATOM 0 HD2 LYS A 107 28.922 17.663 29.540 1.00 17.33 H new ATOM 0 HD3 LYS A 107 29.742 18.256 28.353 1.00 17.33 H new ATOM 0 HE2 LYS A 107 29.969 15.987 27.453 1.00 20.93 H new ATOM 0 HE3 LYS A 107 29.013 15.484 28.578 1.00 20.93 H new ATOM 0 HZ1 LYS A 107 27.734 15.773 26.782 1.00 22.98 H new ATOM 0 HZ2 LYS A 107 27.392 16.909 27.622 1.00 22.98 H new ATOM 0 HZ3 LYS A 107 28.278 17.087 26.484 1.00 22.98 H new ATOM 1381 N LEU A 108 34.170 17.069 29.472 1.00 16.66 N ATOM 1382 CA LEU A 108 35.275 17.279 28.506 1.00 17.29 C ATOM 1383 C LEU A 108 34.681 17.731 27.180 1.00 16.56 C ATOM 1384 O LEU A 108 33.526 17.453 26.931 1.00 18.46 O ATOM 1385 CB LEU A 108 36.051 15.933 28.271 1.00 13.16 C ATOM 1386 CG LEU A 108 36.699 15.316 29.525 1.00 16.10 C ATOM 1387 CD1 LEU A 108 37.438 14.071 29.139 1.00 12.38 C ATOM 1388 CD2 LEU A 108 37.759 16.257 30.141 1.00 19.87 C ATOM 0 H LEU A 108 33.816 16.286 29.440 1.00 16.66 H new ATOM 0 HA LEU A 108 35.885 17.946 28.857 1.00 17.29 H new ATOM 0 HB2 LEU A 108 35.437 15.285 27.891 1.00 13.16 H new ATOM 0 HB3 LEU A 108 36.744 16.088 27.610 1.00 13.16 H new ATOM 0 HG LEU A 108 35.984 15.148 30.159 1.00 16.10 H new ATOM 0 HD11 LEU A 108 37.847 13.680 29.927 1.00 12.38 H new ATOM 0 HD12 LEU A 108 36.819 13.435 28.747 1.00 12.38 H new ATOM 0 HD13 LEU A 108 38.127 14.291 28.493 1.00 12.38 H new ATOM 0 HD21 LEU A 108 38.146 15.839 30.926 1.00 19.87 H new ATOM 0 HD22 LEU A 108 38.457 16.429 29.490 1.00 19.87 H new ATOM 0 HD23 LEU A 108 37.340 17.095 30.394 1.00 19.87 H new ATOM 1400 N LYS A 109 35.458 18.409 26.371 1.00 21.75 N ATOM 1401 CA LYS A 109 34.939 18.869 25.048 1.00 21.02 C ATOM 1402 C LYS A 109 34.854 17.633 24.175 1.00 22.51 C ATOM 1403 O LYS A 109 33.929 17.453 23.413 1.00 24.62 O ATOM 1404 CB LYS A 109 35.884 19.891 24.336 1.00 23.34 C ATOM 1405 CG LYS A 109 35.603 21.306 24.883 0.36 23.86 C ATOM 1406 CD LYS A 109 36.389 22.397 24.081 0.36 27.48 C ATOM 1407 CE LYS A 109 36.112 22.287 22.572 0.36 27.93 C ATOM 1408 NZ LYS A 109 36.652 23.476 21.853 0.36 29.79 N ATOM 0 H LYS A 109 36.274 18.623 26.539 1.00 21.75 H new ATOM 0 HA LYS A 109 34.089 19.315 25.186 1.00 21.02 H new ATOM 0 HB2 LYS A 109 36.811 19.651 24.489 1.00 23.34 H new ATOM 0 HB3 LYS A 109 35.739 19.868 23.377 1.00 23.34 H new ATOM 0 HG2 LYS A 109 34.652 21.490 24.835 0.36 23.86 H new ATOM 0 HG3 LYS A 109 35.853 21.348 25.819 0.36 23.86 H new ATOM 0 HD2 LYS A 109 36.135 23.279 24.395 0.36 27.48 H new ATOM 0 HD3 LYS A 109 37.340 22.300 24.246 0.36 27.48 H new ATOM 0 HE2 LYS A 109 36.518 21.479 22.221 0.36 27.93 H new ATOM 0 HE3 LYS A 109 35.157 22.215 22.417 0.36 27.93 H new ATOM 0 HZ1 LYS A 109 36.484 23.398 20.982 0.36 29.79 H new ATOM 0 HZ2 LYS A 109 36.263 24.213 22.165 0.36 29.79 H new ATOM 0 HZ3 LYS A 109 37.531 23.527 21.982 0.36 29.79 H new ATOM 1422 N SER A 110 35.839 16.813 24.271 1.00 20.48 N ATOM 1423 CA SER A 110 35.874 15.558 23.469 1.00 23.52 C ATOM 1424 C SER A 110 35.964 14.451 24.501 1.00 24.68 C ATOM 1425 O SER A 110 36.273 14.711 25.646 1.00 24.83 O ATOM 1426 CB ASER A 110 37.128 15.594 22.570 0.43 23.72 C ATOM 1427 CB BSER A 110 37.127 15.542 22.573 0.56 23.62 C ATOM 1428 OG ASER A 110 36.966 16.811 21.827 0.43 22.61 O ATOM 1429 OG BSER A 110 36.742 14.701 21.490 0.56 24.45 O ATOM 0 H SER A 110 36.518 16.930 24.785 1.00 20.48 H new ATOM 0 HA SER A 110 35.104 15.435 22.892 1.00 23.52 H new ATOM 0 HB2ASER A 110 37.944 15.600 23.094 0.43 23.62 H new ATOM 0 HB2BSER A 110 37.362 16.433 22.269 0.56 23.62 H new ATOM 0 HB3ASER A 110 37.172 14.821 21.986 0.43 23.62 H new ATOM 0 HB3BSER A 110 37.899 15.190 23.043 0.56 23.62 H new ATOM 0 HG ASER A 110 37.617 16.910 21.306 0.43 24.45 H new ATOM 0 HG BSER A 110 37.377 14.638 20.944 0.56 24.45 H new ATOM 1438 N ALA A 111 35.734 13.260 24.084 1.00 26.36 N ATOM 1439 CA ALA A 111 35.803 12.156 25.061 1.00 25.73 C ATOM 1440 C ALA A 111 37.216 11.644 25.021 1.00 24.70 C ATOM 1441 O ALA A 111 37.844 11.586 23.974 1.00 25.26 O ATOM 1442 CB ALA A 111 34.815 11.069 24.631 1.00 27.65 C ATOM 0 H ALA A 111 35.540 13.039 23.276 1.00 26.36 H new ATOM 0 HA ALA A 111 35.573 12.437 25.961 1.00 25.73 H new ATOM 0 HB1 ALA A 111 34.847 10.334 25.263 1.00 27.65 H new ATOM 0 HB2 ALA A 111 33.918 11.437 24.609 1.00 27.65 H new ATOM 0 HB3 ALA A 111 35.053 10.746 23.748 1.00 27.65 H new ATOM 1448 N ALA A 112 37.686 11.257 26.160 1.00 23.49 N ATOM 1449 CA ALA A 112 39.064 10.742 26.221 1.00 22.86 C ATOM 1450 C ALA A 112 39.047 9.346 25.614 1.00 25.69 C ATOM 1451 O ALA A 112 38.006 8.699 25.587 1.00 22.43 O ATOM 1452 CB ALA A 112 39.489 10.682 27.669 1.00 23.52 C ATOM 0 H ALA A 112 37.259 11.272 26.906 1.00 23.49 H new ATOM 0 HA ALA A 112 39.685 11.308 25.737 1.00 22.86 H new ATOM 0 HB1 ALA A 112 40.396 10.344 27.726 1.00 23.52 H new ATOM 0 HB2 ALA A 112 39.451 11.571 28.055 1.00 23.52 H new ATOM 0 HB3 ALA A 112 38.893 10.092 28.157 1.00 23.52 H new ATOM 1458 N SER A 113 40.198 8.931 25.156 1.00 24.41 N ATOM 1459 CA SER A 113 40.337 7.576 24.536 1.00 26.69 C ATOM 1460 C SER A 113 40.902 6.801 25.742 1.00 26.16 C ATOM 1461 O SER A 113 41.975 7.111 26.222 1.00 21.72 O ATOM 1462 CB SER A 113 41.322 7.693 23.314 1.00 26.39 C ATOM 1463 OG SER A 113 40.669 8.625 22.435 1.00 29.31 O ATOM 0 H SER A 113 40.924 9.392 25.180 1.00 24.41 H new ATOM 0 HA SER A 113 39.545 7.156 24.166 1.00 26.69 H new ATOM 0 HB2 SER A 113 42.194 8.015 23.590 1.00 26.39 H new ATOM 0 HB3 SER A 113 41.459 6.834 22.884 1.00 26.39 H new ATOM 0 HG SER A 113 41.141 8.742 21.750 1.00 29.31 H new ATOM 1469 N LEU A 114 40.177 5.818 26.188 1.00 22.52 N ATOM 1470 CA LEU A 114 40.661 5.061 27.362 1.00 24.07 C ATOM 1471 C LEU A 114 41.536 3.962 26.922 1.00 25.86 C ATOM 1472 O LEU A 114 41.266 3.337 25.923 1.00 29.58 O ATOM 1473 CB LEU A 114 39.477 4.501 28.115 1.00 25.38 C ATOM 1474 CG LEU A 114 38.447 5.573 28.471 1.00 24.64 C ATOM 1475 CD1 LEU A 114 37.361 4.851 29.250 1.00 26.80 C ATOM 1476 CD2 LEU A 114 39.033 6.711 29.357 1.00 23.19 C ATOM 0 H LEU A 114 39.426 5.560 25.858 1.00 22.52 H new ATOM 0 HA LEU A 114 41.166 5.652 27.943 1.00 24.07 H new ATOM 0 HB2 LEU A 114 39.052 3.814 27.578 1.00 25.38 H new ATOM 0 HB3 LEU A 114 39.788 4.073 28.928 1.00 25.38 H new ATOM 0 HG LEU A 114 38.127 5.998 27.660 1.00 24.64 H new ATOM 0 HD11 LEU A 114 36.672 5.483 29.507 1.00 26.80 H new ATOM 0 HD12 LEU A 114 36.972 4.157 28.695 1.00 26.80 H new ATOM 0 HD13 LEU A 114 37.745 4.451 30.046 1.00 26.80 H new ATOM 0 HD21 LEU A 114 38.339 7.360 29.551 1.00 23.19 H new ATOM 0 HD22 LEU A 114 39.366 6.336 30.187 1.00 23.19 H new ATOM 0 HD23 LEU A 114 39.760 7.147 28.885 1.00 23.19 H new ATOM 1488 N ASN A 115 42.558 3.741 27.676 1.00 27.28 N ATOM 1489 CA ASN A 115 43.539 2.676 27.373 1.00 27.89 C ATOM 1490 C ASN A 115 44.142 2.264 28.705 1.00 30.49 C ATOM 1491 O ASN A 115 43.561 2.580 29.721 1.00 31.80 O ATOM 1492 CB ASN A 115 44.593 3.245 26.371 1.00 28.86 C ATOM 1493 CG ASN A 115 45.255 4.510 26.854 1.00 28.42 C ATOM 1494 OD1 ASN A 115 45.961 4.496 27.842 1.00 30.73 O ATOM 1495 ND2 ASN A 115 45.061 5.612 26.204 1.00 28.32 N ATOM 0 H ASN A 115 42.732 4.189 28.389 1.00 27.28 H new ATOM 0 HA ASN A 115 43.147 1.896 26.951 1.00 27.89 H new ATOM 0 HB2 ASN A 115 45.273 2.572 26.211 1.00 28.86 H new ATOM 0 HB3 ASN A 115 44.160 3.419 25.520 1.00 28.86 H new ATOM 0 HD21 ASN A 115 45.433 6.340 26.471 1.00 28.32 H new ATOM 0 HD22 ASN A 115 44.560 5.616 25.505 1.00 28.32 H new ATOM 1502 N SER A 116 45.243 1.586 28.719 1.00 32.66 N ATOM 1503 CA SER A 116 45.892 1.143 29.984 1.00 32.79 C ATOM 1504 C SER A 116 46.395 2.285 30.908 1.00 31.94 C ATOM 1505 O SER A 116 46.479 2.154 32.124 1.00 29.44 O ATOM 1506 CB SER A 116 47.078 0.238 29.586 1.00 36.37 C ATOM 1507 OG SER A 116 46.616 -0.516 28.462 1.00 40.58 O ATOM 0 H SER A 116 45.665 1.351 28.008 1.00 32.66 H new ATOM 0 HA SER A 116 45.218 0.684 30.510 1.00 32.79 H new ATOM 0 HB2 SER A 116 47.859 0.765 29.357 1.00 36.37 H new ATOM 0 HB3 SER A 116 47.334 -0.345 30.317 1.00 36.37 H new ATOM 0 HG SER A 116 47.226 -1.030 28.199 1.00 40.58 H new ATOM 1513 N ARG A 117 46.724 3.379 30.282 1.00 29.20 N ATOM 1514 CA ARG A 117 47.247 4.575 31.014 1.00 25.85 C ATOM 1515 C ARG A 117 46.181 5.600 31.360 1.00 24.29 C ATOM 1516 O ARG A 117 46.453 6.490 32.137 1.00 25.56 O ATOM 1517 CB ARG A 117 48.345 5.191 30.102 1.00 26.82 C ATOM 1518 CG ARG A 117 49.415 4.042 29.813 1.00 27.78 C ATOM 1519 CD ARG A 117 50.619 4.511 28.974 0.23 27.47 C ATOM 1520 NE ARG A 117 51.564 3.350 28.840 0.23 27.94 N ATOM 1521 CZ ARG A 117 52.789 3.365 29.321 0.23 28.91 C ATOM 1522 NH1 ARG A 117 53.245 4.384 30.002 0.23 29.06 N ATOM 1523 NH2 ARG A 117 53.541 2.311 29.146 0.23 26.91 N ATOM 0 H ARG A 117 46.664 3.482 29.430 1.00 29.20 H new ATOM 0 HA ARG A 117 47.597 4.299 31.875 1.00 25.85 H new ATOM 0 HB2 ARG A 117 47.959 5.516 29.274 1.00 26.82 H new ATOM 0 HB3 ARG A 117 48.766 5.950 30.536 1.00 26.82 H new ATOM 0 HG2 ARG A 117 49.737 3.692 30.658 1.00 27.78 H new ATOM 0 HG3 ARG A 117 48.975 3.311 29.352 1.00 27.78 H new ATOM 0 HD2 ARG A 117 50.327 4.815 28.100 0.23 27.47 H new ATOM 0 HD3 ARG A 117 51.060 5.261 29.402 0.23 27.47 H new ATOM 0 HE ARG A 117 51.292 2.644 28.431 0.23 27.94 H new ATOM 0 HH11 ARG A 117 52.741 5.066 30.145 0.23 29.06 H new ATOM 0 HH12 ARG A 117 54.049 4.372 30.307 0.23 29.06 H new ATOM 0 HH21 ARG A 117 53.233 1.628 28.724 0.23 26.91 H new ATOM 0 HH22 ARG A 117 54.344 2.300 29.452 0.23 26.91 H new ATOM 1537 N VAL A 118 45.033 5.454 30.771 1.00 23.63 N ATOM 1538 CA VAL A 118 43.881 6.370 30.989 1.00 20.62 C ATOM 1539 C VAL A 118 42.638 5.487 31.207 1.00 20.06 C ATOM 1540 O VAL A 118 42.130 4.925 30.249 1.00 13.19 O ATOM 1541 CB VAL A 118 43.674 7.260 29.746 1.00 19.98 C ATOM 1542 CG1 VAL A 118 42.524 8.276 29.986 1.00 19.30 C ATOM 1543 CG2 VAL A 118 44.995 7.991 29.370 1.00 19.32 C ATOM 0 H VAL A 118 44.867 4.817 30.217 1.00 23.63 H new ATOM 0 HA VAL A 118 44.038 6.947 31.753 1.00 20.62 H new ATOM 0 HB VAL A 118 43.422 6.693 29.001 1.00 19.98 H new ATOM 0 HG11 VAL A 118 42.408 8.826 29.196 1.00 19.30 H new ATOM 0 HG12 VAL A 118 41.701 7.796 30.169 1.00 19.30 H new ATOM 0 HG13 VAL A 118 42.744 8.841 30.743 1.00 19.30 H new ATOM 0 HG21 VAL A 118 44.847 8.545 28.588 1.00 19.32 H new ATOM 0 HG22 VAL A 118 45.279 8.548 30.111 1.00 19.32 H new ATOM 0 HG23 VAL A 118 45.684 7.336 29.176 1.00 19.32 H new ATOM 1553 N ALA A 119 42.171 5.371 32.419 1.00 20.78 N ATOM 1554 CA ALA A 119 40.957 4.511 32.658 1.00 21.79 C ATOM 1555 C ALA A 119 40.084 5.285 33.621 1.00 18.58 C ATOM 1556 O ALA A 119 40.555 6.255 34.188 1.00 20.25 O ATOM 1557 CB ALA A 119 41.373 3.159 33.275 1.00 21.13 C ATOM 0 H ALA A 119 42.501 5.751 33.117 1.00 20.78 H new ATOM 0 HA ALA A 119 40.488 4.317 31.831 1.00 21.79 H new ATOM 0 HB1 ALA A 119 40.584 2.615 33.424 1.00 21.13 H new ATOM 0 HB2 ALA A 119 41.974 2.698 32.669 1.00 21.13 H new ATOM 0 HB3 ALA A 119 41.823 3.314 34.120 1.00 21.13 H new ATOM 1563 N SER A 120 38.864 4.866 33.790 1.00 22.45 N ATOM 1564 CA SER A 120 37.954 5.580 34.726 1.00 21.42 C ATOM 1565 C SER A 120 37.886 4.821 36.047 1.00 21.29 C ATOM 1566 O SER A 120 38.264 3.663 36.102 1.00 22.09 O ATOM 1567 CB SER A 120 36.600 5.673 34.052 1.00 19.35 C ATOM 1568 OG SER A 120 36.393 4.426 33.384 1.00 27.67 O ATOM 0 H SER A 120 38.520 4.185 33.393 1.00 22.45 H new ATOM 0 HA SER A 120 38.272 6.474 34.929 1.00 21.42 H new ATOM 0 HB2 SER A 120 35.900 5.836 34.704 1.00 19.35 H new ATOM 0 HB3 SER A 120 36.578 6.410 33.422 1.00 19.35 H new ATOM 0 HG SER A 120 36.581 4.510 32.570 1.00 27.67 H new ATOM 1574 N ILE A 121 37.419 5.476 37.080 1.00 20.87 N ATOM 1575 CA ILE A 121 37.316 4.813 38.422 1.00 20.63 C ATOM 1576 C ILE A 121 35.823 4.681 38.679 1.00 19.60 C ATOM 1577 O ILE A 121 35.024 5.477 38.214 1.00 16.12 O ATOM 1578 CB ILE A 121 38.046 5.717 39.532 1.00 18.85 C ATOM 1579 CG1 ILE A 121 38.099 5.070 40.990 1.00 21.39 C ATOM 1580 CG2 ILE A 121 37.487 7.157 39.582 1.00 19.58 C ATOM 1581 CD1 ILE A 121 39.067 3.833 41.026 1.00 19.70 C ATOM 0 H ILE A 121 37.152 6.293 37.058 1.00 20.87 H new ATOM 0 HA ILE A 121 37.750 3.946 38.455 1.00 20.63 H new ATOM 0 HB ILE A 121 38.967 5.760 39.232 1.00 18.85 H new ATOM 0 HG12 ILE A 121 38.395 5.735 41.631 1.00 21.39 H new ATOM 0 HG13 ILE A 121 37.208 4.795 41.257 1.00 21.39 H new ATOM 0 HG21 ILE A 121 37.956 7.663 40.264 1.00 19.58 H new ATOM 0 HG22 ILE A 121 37.613 7.583 38.720 1.00 19.58 H new ATOM 0 HG23 ILE A 121 36.541 7.130 39.794 1.00 19.58 H new ATOM 0 HD11 ILE A 121 39.081 3.459 41.921 1.00 19.70 H new ATOM 0 HD12 ILE A 121 38.756 3.160 40.400 1.00 19.70 H new ATOM 0 HD13 ILE A 121 39.962 4.115 40.780 1.00 19.70 H new ATOM 1593 N SER A 122 35.483 3.687 39.425 1.00 18.33 N ATOM 1594 CA SER A 122 34.057 3.463 39.720 1.00 20.36 C ATOM 1595 C SER A 122 33.599 4.215 40.948 1.00 20.10 C ATOM 1596 O SER A 122 34.343 4.497 41.875 1.00 17.74 O ATOM 1597 CB SER A 122 33.869 1.931 39.886 1.00 17.98 C ATOM 1598 OG SER A 122 34.805 1.433 38.935 0.41 21.86 O ATOM 0 H SER A 122 36.028 3.123 39.779 1.00 18.33 H new ATOM 0 HA SER A 122 33.509 3.803 38.995 1.00 20.36 H new ATOM 0 HB2 SER A 122 34.069 1.633 40.787 1.00 17.98 H new ATOM 0 HB3 SER A 122 32.962 1.650 39.689 1.00 17.98 H new ATOM 0 HG SER A 122 34.790 0.593 38.940 0.41 21.86 H new ATOM 1604 N LEU A 123 32.330 4.505 40.895 1.00 21.05 N ATOM 1605 CA LEU A 123 31.716 5.238 42.016 1.00 22.02 C ATOM 1606 C LEU A 123 31.306 4.151 42.986 1.00 21.58 C ATOM 1607 O LEU A 123 31.086 3.022 42.593 1.00 20.50 O ATOM 1608 CB LEU A 123 30.483 6.025 41.513 1.00 24.48 C ATOM 1609 CG LEU A 123 30.874 7.306 40.680 1.00 25.21 C ATOM 1610 CD1 LEU A 123 29.570 8.044 40.357 1.00 26.07 C ATOM 1611 CD2 LEU A 123 31.751 8.313 41.478 1.00 26.96 C ATOM 0 H LEU A 123 31.801 4.303 40.248 1.00 21.05 H new ATOM 0 HA LEU A 123 32.312 5.885 42.424 1.00 22.02 H new ATOM 0 HB2 LEU A 123 29.934 5.443 40.965 1.00 24.48 H new ATOM 0 HB3 LEU A 123 29.942 6.291 42.273 1.00 24.48 H new ATOM 0 HG LEU A 123 31.374 7.010 39.903 1.00 25.21 H new ATOM 0 HD11 LEU A 123 29.768 8.842 39.843 1.00 26.07 H new ATOM 0 HD12 LEU A 123 28.989 7.464 39.841 1.00 26.07 H new ATOM 0 HD13 LEU A 123 29.126 8.294 41.183 1.00 26.07 H new ATOM 0 HD21 LEU A 123 31.959 9.077 40.917 1.00 26.96 H new ATOM 0 HD22 LEU A 123 31.267 8.612 42.264 1.00 26.96 H new ATOM 0 HD23 LEU A 123 32.575 7.879 41.751 1.00 26.96 H new ATOM 1623 N PRO A 124 31.227 4.495 44.230 1.00 24.23 N ATOM 1624 CA PRO A 124 30.881 3.485 45.265 1.00 24.50 C ATOM 1625 C PRO A 124 29.403 3.100 45.266 1.00 27.28 C ATOM 1626 O PRO A 124 28.577 3.861 44.798 1.00 30.70 O ATOM 1627 CB PRO A 124 31.373 4.167 46.564 1.00 23.98 C ATOM 1628 CG PRO A 124 31.161 5.688 46.279 1.00 22.60 C ATOM 1629 CD PRO A 124 31.490 5.866 44.779 1.00 22.00 C ATOM 0 HA PRO A 124 31.297 2.620 45.121 1.00 24.50 H new ATOM 0 HB2 PRO A 124 30.864 3.874 47.336 1.00 23.98 H new ATOM 0 HB3 PRO A 124 32.304 3.964 46.744 1.00 23.98 H new ATOM 0 HG2 PRO A 124 30.250 5.958 46.473 1.00 22.60 H new ATOM 0 HG3 PRO A 124 31.742 6.233 46.833 1.00 22.60 H new ATOM 0 HD2 PRO A 124 30.927 6.537 44.362 1.00 22.00 H new ATOM 0 HD3 PRO A 124 32.410 6.141 44.640 1.00 22.00 H new ATOM 1637 N THR A 125 29.128 1.946 45.796 1.00 28.70 N ATOM 1638 CA THR A 125 27.740 1.413 45.908 1.00 29.34 C ATOM 1639 C THR A 125 27.305 1.699 47.393 1.00 28.13 C ATOM 1640 O THR A 125 26.124 1.798 47.686 1.00 30.38 O ATOM 1641 CB THR A 125 27.790 -0.106 45.549 1.00 30.25 C ATOM 1642 OG1 THR A 125 29.055 -0.640 45.953 1.00 32.05 O ATOM 1643 CG2 THR A 125 27.819 -0.255 44.026 1.00 31.20 C ATOM 0 H THR A 125 29.728 1.419 46.115 1.00 28.70 H new ATOM 0 HA THR A 125 27.095 1.820 45.308 1.00 29.34 H new ATOM 0 HB THR A 125 27.033 -0.543 45.969 1.00 30.25 H new ATOM 0 HG1 THR A 125 29.087 -1.458 45.764 1.00 32.05 H new ATOM 0 HG21 THR A 125 27.850 -1.196 43.793 1.00 31.20 H new ATOM 0 HG22 THR A 125 27.021 0.145 43.646 1.00 31.20 H new ATOM 0 HG23 THR A 125 28.604 0.191 43.672 1.00 31.20 H new ATOM 1651 N SER A 127 28.259 1.815 48.297 1.00 26.39 N ATOM 1652 CA SER A 127 28.007 2.105 49.755 1.00 21.28 C ATOM 1653 C SER A 127 29.187 2.964 50.240 1.00 18.69 C ATOM 1654 O SER A 127 30.039 3.352 49.466 1.00 19.49 O ATOM 1655 CB SER A 127 27.914 0.784 50.572 1.00 19.60 C ATOM 1656 OG SER A 127 29.004 -0.015 50.130 1.00 21.57 O ATOM 0 H SER A 127 29.093 1.731 48.106 1.00 26.39 H new ATOM 0 HA SER A 127 27.165 2.570 49.877 1.00 21.28 H new ATOM 0 HB2 SER A 127 27.972 0.958 51.525 1.00 19.60 H new ATOM 0 HB3 SER A 127 27.068 0.336 50.417 1.00 19.60 H new ATOM 0 HG SER A 127 29.002 -0.746 50.544 1.00 21.57 H new ATOM 1662 N CYS A 128 29.249 3.247 51.510 1.00 22.57 N ATOM 1663 CA CYS A 128 30.355 4.083 52.050 1.00 20.97 C ATOM 1664 C CYS A 128 31.390 3.175 52.678 1.00 22.54 C ATOM 1665 O CYS A 128 31.051 2.091 53.114 1.00 24.69 O ATOM 1666 CB CYS A 128 29.740 5.006 53.056 1.00 20.95 C ATOM 1667 SG CYS A 128 28.418 6.048 52.405 1.00 16.65 S ATOM 0 H CYS A 128 28.679 2.980 52.096 1.00 22.57 H new ATOM 0 HA CYS A 128 30.802 4.601 51.362 1.00 20.97 H new ATOM 0 HB2 CYS A 128 29.389 4.478 53.790 1.00 20.95 H new ATOM 0 HB3 CYS A 128 30.434 5.575 53.423 1.00 20.95 H new ATOM 1672 N ALA A 129 32.613 3.642 52.714 1.00 22.80 N ATOM 1673 CA ALA A 129 33.678 2.785 53.315 1.00 22.95 C ATOM 1674 C ALA A 129 33.626 2.905 54.819 1.00 22.20 C ATOM 1675 O ALA A 129 33.060 3.873 55.274 1.00 24.35 O ATOM 1676 CB ALA A 129 35.023 3.244 52.810 1.00 20.09 C ATOM 0 H ALA A 129 32.867 4.409 52.419 1.00 22.80 H new ATOM 0 HA ALA A 129 33.539 1.858 53.064 1.00 22.95 H new ATOM 0 HB1 ALA A 129 35.720 2.691 53.197 1.00 20.09 H new ATOM 0 HB2 ALA A 129 35.049 3.167 51.843 1.00 20.09 H new ATOM 0 HB3 ALA A 129 35.166 4.169 53.065 1.00 20.09 H new ATOM 1682 N SER A 130 34.227 1.947 55.489 1.00 24.69 N ATOM 1683 CA SER A 130 34.298 1.832 56.978 1.00 24.03 C ATOM 1684 C SER A 130 35.583 2.384 57.506 1.00 22.50 C ATOM 1685 O SER A 130 36.576 2.431 56.805 1.00 25.45 O ATOM 1686 CB SER A 130 34.269 0.366 57.448 1.00 26.46 C ATOM 1687 OG SER A 130 33.658 -0.415 56.416 1.00 29.84 O ATOM 0 H SER A 130 34.633 1.302 55.091 1.00 24.69 H new ATOM 0 HA SER A 130 33.528 2.323 57.305 1.00 24.03 H new ATOM 0 HB2 SER A 130 35.168 0.049 57.626 1.00 26.46 H new ATOM 0 HB3 SER A 130 33.770 0.285 58.276 1.00 26.46 H new ATOM 0 HG SER A 130 33.633 -1.221 56.652 1.00 29.84 H new ATOM 1693 N ALA A 132 35.558 2.769 58.750 1.00 22.81 N ATOM 1694 CA ALA A 132 36.801 3.324 59.346 1.00 21.80 C ATOM 1695 C ALA A 132 37.678 2.084 59.351 1.00 18.88 C ATOM 1696 O ALA A 132 37.158 0.999 59.517 1.00 22.02 O ATOM 1697 CB ALA A 132 36.520 3.850 60.808 1.00 19.50 C ATOM 0 H ALA A 132 34.875 2.732 59.272 1.00 22.81 H new ATOM 0 HA ALA A 132 37.187 4.081 58.879 1.00 21.80 H new ATOM 0 HB1 ALA A 132 37.338 4.209 61.186 1.00 19.50 H new ATOM 0 HB2 ALA A 132 35.845 4.546 60.778 1.00 19.50 H new ATOM 0 HB3 ALA A 132 36.204 3.118 61.360 1.00 19.50 H new ATOM 1703 N GLY A 133 38.953 2.239 59.177 1.00 18.74 N ATOM 1704 CA GLY A 133 39.843 1.048 59.161 1.00 19.45 C ATOM 1705 C GLY A 133 40.290 0.822 57.731 1.00 20.57 C ATOM 1706 O GLY A 133 41.443 0.501 57.534 1.00 31.38 O ATOM 0 H GLY A 133 39.347 2.995 59.066 1.00 18.74 H new ATOM 0 HA2 GLY A 133 40.610 1.189 59.738 1.00 19.45 H new ATOM 0 HA3 GLY A 133 39.374 0.269 59.498 1.00 19.45 H new ATOM 1710 N THR A 134 39.402 0.992 56.793 1.00 17.91 N ATOM 1711 CA THR A 134 39.753 0.793 55.361 1.00 20.18 C ATOM 1712 C THR A 134 40.948 1.628 54.917 1.00 18.94 C ATOM 1713 O THR A 134 41.013 2.806 55.210 1.00 21.18 O ATOM 1714 CB THR A 134 38.543 1.159 54.545 1.00 20.25 C ATOM 1715 OG1 THR A 134 37.448 0.457 55.152 1.00 18.31 O ATOM 1716 CG2 THR A 134 38.614 0.551 53.133 1.00 24.50 C ATOM 0 H THR A 134 38.585 1.222 56.935 1.00 17.91 H new ATOM 0 HA THR A 134 40.009 -0.134 55.232 1.00 20.18 H new ATOM 0 HB THR A 134 38.468 2.125 54.504 1.00 20.25 H new ATOM 0 HG1 THR A 134 37.018 0.982 55.647 1.00 18.31 H new ATOM 0 HG21 THR A 134 37.823 0.803 52.632 1.00 24.50 H new ATOM 0 HG22 THR A 134 39.404 0.882 52.677 1.00 24.50 H new ATOM 0 HG23 THR A 134 38.660 -0.416 53.199 1.00 24.50 H new ATOM 1724 N GLN A 135 41.838 0.984 54.223 1.00 21.85 N ATOM 1725 CA GLN A 135 43.082 1.627 53.690 1.00 24.75 C ATOM 1726 C GLN A 135 42.682 2.126 52.324 1.00 24.54 C ATOM 1727 O GLN A 135 42.014 1.403 51.603 1.00 28.83 O ATOM 1728 CB GLN A 135 44.229 0.617 53.463 1.00 24.37 C ATOM 1729 CG GLN A 135 44.816 0.012 54.727 0.39 25.50 C ATOM 1730 CD GLN A 135 45.611 1.110 55.408 0.39 25.83 C ATOM 1731 OE1 GLN A 135 46.246 1.927 54.771 0.39 27.70 O ATOM 1732 NE2 GLN A 135 45.625 1.184 56.696 0.39 28.77 N ATOM 0 H GLN A 135 41.769 0.150 54.027 1.00 21.85 H new ATOM 0 HA GLN A 135 43.398 2.300 54.313 1.00 24.75 H new ATOM 0 HB2 GLN A 135 43.902 -0.101 52.899 1.00 24.37 H new ATOM 0 HB3 GLN A 135 44.939 1.060 52.973 1.00 24.37 H new ATOM 0 HG2 GLN A 135 44.114 -0.317 55.310 0.39 25.50 H new ATOM 0 HG3 GLN A 135 45.385 -0.744 54.515 0.39 25.50 H new ATOM 0 HE21 GLN A 135 45.182 0.615 57.164 0.39 28.77 H new ATOM 0 HE22 GLN A 135 46.077 1.803 57.086 0.39 28.77 H new ATOM 1741 N CYS A 136 43.099 3.302 51.988 1.00 24.32 N ATOM 1742 CA CYS A 136 42.760 3.884 50.652 1.00 23.95 C ATOM 1743 C CYS A 136 44.076 4.336 50.031 1.00 20.75 C ATOM 1744 O CYS A 136 45.137 4.222 50.619 1.00 22.50 O ATOM 1745 CB CYS A 136 41.832 5.063 50.872 1.00 21.82 C ATOM 1746 SG CYS A 136 40.350 4.678 51.818 1.00 21.70 S ATOM 0 H CYS A 136 43.580 3.808 52.490 1.00 24.32 H new ATOM 0 HA CYS A 136 42.317 3.249 50.068 1.00 23.95 H new ATOM 0 HB2 CYS A 136 42.321 5.764 51.330 1.00 21.82 H new ATOM 0 HB3 CYS A 136 41.568 5.418 50.009 1.00 21.82 H new ATOM 1751 N LEU A 137 43.970 4.829 48.841 1.00 20.68 N ATOM 1752 CA LEU A 137 45.170 5.336 48.097 1.00 19.74 C ATOM 1753 C LEU A 137 44.733 6.748 47.755 1.00 18.63 C ATOM 1754 O LEU A 137 43.629 6.937 47.256 1.00 16.47 O ATOM 1755 CB LEU A 137 45.429 4.585 46.767 1.00 17.62 C ATOM 1756 CG LEU A 137 46.684 5.208 45.948 1.00 18.96 C ATOM 1757 CD1 LEU A 137 48.009 4.985 46.744 1.00 22.26 C ATOM 1758 CD2 LEU A 137 46.873 4.511 44.602 1.00 17.24 C ATOM 0 H LEU A 137 43.228 4.897 48.411 1.00 20.68 H new ATOM 0 HA LEU A 137 45.984 5.241 48.617 1.00 19.74 H new ATOM 0 HB2 LEU A 137 45.599 3.648 46.954 1.00 17.62 H new ATOM 0 HB3 LEU A 137 44.633 4.624 46.215 1.00 17.62 H new ATOM 0 HG LEU A 137 46.493 6.150 45.820 1.00 18.96 H new ATOM 0 HD11 LEU A 137 48.752 5.360 46.247 1.00 22.26 H new ATOM 0 HD12 LEU A 137 47.945 5.421 47.608 1.00 22.26 H new ATOM 0 HD13 LEU A 137 48.154 4.034 46.872 1.00 22.26 H new ATOM 0 HD21 LEU A 137 47.628 4.904 44.137 1.00 17.24 H new ATOM 0 HD22 LEU A 137 47.039 3.566 44.747 1.00 17.24 H new ATOM 0 HD23 LEU A 137 46.072 4.619 44.066 1.00 17.24 H new ATOM 1770 N ILE A 138 45.608 7.657 48.040 1.00 18.39 N ATOM 1771 CA ILE A 138 45.379 9.092 47.781 1.00 17.80 C ATOM 1772 C ILE A 138 46.575 9.449 46.874 1.00 14.44 C ATOM 1773 O ILE A 138 47.681 9.026 47.182 1.00 13.08 O ATOM 1774 CB ILE A 138 45.452 9.801 49.088 1.00 18.57 C ATOM 1775 CG1 ILE A 138 44.514 9.064 50.049 1.00 17.80 C ATOM 1776 CG2 ILE A 138 45.056 11.272 48.876 1.00 19.95 C ATOM 1777 CD1 ILE A 138 44.625 9.669 51.446 1.00 19.89 C ATOM 0 H ILE A 138 46.372 7.484 48.395 1.00 18.39 H new ATOM 0 HA ILE A 138 44.528 9.322 47.376 1.00 17.80 H new ATOM 0 HB ILE A 138 46.345 9.802 49.466 1.00 18.57 H new ATOM 0 HG12 ILE A 138 43.599 9.126 49.732 1.00 17.80 H new ATOM 0 HG13 ILE A 138 44.741 8.121 50.077 1.00 17.80 H new ATOM 0 HG21 ILE A 138 45.100 11.744 49.722 1.00 19.95 H new ATOM 0 HG22 ILE A 138 45.666 11.684 48.244 1.00 19.95 H new ATOM 0 HG23 ILE A 138 44.152 11.317 48.528 1.00 19.95 H new ATOM 0 HD11 ILE A 138 44.029 9.199 52.051 1.00 19.89 H new ATOM 0 HD12 ILE A 138 45.538 9.586 51.763 1.00 19.89 H new ATOM 0 HD13 ILE A 138 44.378 10.607 51.413 1.00 19.89 H new ATOM 1789 N SER A 139 46.353 10.188 45.818 1.00 13.63 N ATOM 1790 CA SER A 139 47.481 10.558 44.909 1.00 14.89 C ATOM 1791 C SER A 139 47.375 11.988 44.417 1.00 15.15 C ATOM 1792 O SER A 139 46.285 12.551 44.374 1.00 17.58 O ATOM 1793 CB SER A 139 47.485 9.543 43.729 1.00 13.05 C ATOM 1794 OG SER A 139 46.115 9.485 43.346 1.00 17.75 O ATOM 0 H SER A 139 45.583 10.495 45.588 1.00 13.63 H new ATOM 0 HA SER A 139 48.320 10.513 45.394 1.00 14.89 H new ATOM 0 HB2 SER A 139 48.049 9.844 42.999 1.00 13.05 H new ATOM 0 HB3 SER A 139 47.817 8.674 44.005 1.00 13.05 H new ATOM 0 HG SER A 139 45.762 8.795 43.671 1.00 17.75 H new ATOM 1800 N GLY A 140 48.495 12.559 44.044 1.00 13.10 N ATOM 1801 CA GLY A 140 48.498 13.952 43.540 1.00 11.89 C ATOM 1802 C GLY A 140 49.908 14.455 43.379 1.00 14.28 C ATOM 1803 O GLY A 140 50.843 13.770 43.744 1.00 12.97 O ATOM 0 H GLY A 140 49.267 12.180 44.066 1.00 13.10 H new ATOM 0 HA2 GLY A 140 48.035 13.994 42.689 1.00 11.89 H new ATOM 0 HA3 GLY A 140 48.013 14.525 44.155 1.00 11.89 H new ATOM 1807 N TRP A 141 49.984 15.638 42.827 1.00 18.25 N ATOM 1808 CA TRP A 141 51.248 16.386 42.546 1.00 16.11 C ATOM 1809 C TRP A 141 51.247 17.627 43.454 1.00 15.97 C ATOM 1810 O TRP A 141 51.712 18.679 43.064 1.00 20.15 O ATOM 1811 CB TRP A 141 51.290 16.891 41.066 1.00 16.07 C ATOM 1812 CG TRP A 141 51.434 15.837 39.975 1.00 15.70 C ATOM 1813 CD1 TRP A 141 52.625 15.362 39.559 1.00 14.14 C ATOM 1814 CD2 TRP A 141 50.427 15.233 39.280 1.00 16.30 C ATOM 1815 NE1 TRP A 141 52.273 14.491 38.629 1.00 16.45 N ATOM 1816 CE2 TRP A 141 50.985 14.334 38.383 1.00 13.34 C ATOM 1817 CE3 TRP A 141 49.032 15.382 39.312 1.00 16.05 C ATOM 1818 CZ2 TRP A 141 50.175 13.591 37.543 1.00 12.78 C ATOM 1819 CZ3 TRP A 141 48.206 14.645 38.459 1.00 13.44 C ATOM 1820 CH2 TRP A 141 48.779 13.742 37.572 1.00 15.78 C ATOM 0 H TRP A 141 49.283 16.072 42.584 1.00 18.25 H new ATOM 0 HA TRP A 141 52.007 15.802 42.701 1.00 16.11 H new ATOM 0 HB2 TRP A 141 50.476 17.391 40.896 1.00 16.07 H new ATOM 0 HB3 TRP A 141 52.029 17.514 40.982 1.00 16.07 H new ATOM 0 HD1 TRP A 141 53.478 15.589 39.852 1.00 14.14 H new ATOM 0 HE1 TRP A 141 52.865 14.040 38.197 1.00 16.45 H new ATOM 0 HE3 TRP A 141 48.650 15.982 39.912 1.00 16.05 H new ATOM 0 HZ2 TRP A 141 50.559 12.984 36.952 1.00 12.78 H new ATOM 0 HZ3 TRP A 141 47.283 14.758 38.485 1.00 13.44 H new ATOM 0 HH2 TRP A 141 48.242 13.241 37.001 1.00 15.78 H new ATOM 1831 N GLY A 142 50.750 17.506 44.652 1.00 16.25 N ATOM 1832 CA GLY A 142 50.725 18.695 45.562 1.00 15.01 C ATOM 1833 C GLY A 142 51.956 18.723 46.401 1.00 19.10 C ATOM 1834 O GLY A 142 52.717 17.775 46.319 1.00 13.30 O ATOM 0 H GLY A 142 50.423 16.782 44.981 1.00 16.25 H new ATOM 0 HA2 GLY A 142 50.662 19.510 45.040 1.00 15.01 H new ATOM 0 HA3 GLY A 142 49.939 18.661 46.129 1.00 15.01 H new ATOM 1838 N ASN A 143 52.091 19.788 47.158 1.00 22.15 N ATOM 1839 CA ASN A 143 53.271 19.993 48.071 1.00 25.87 C ATOM 1840 C ASN A 143 53.645 18.710 48.787 1.00 26.44 C ATOM 1841 O ASN A 143 52.753 17.910 49.053 1.00 23.34 O ATOM 1842 CB ASN A 143 52.931 21.073 49.129 1.00 29.33 C ATOM 1843 CG ASN A 143 54.195 21.518 49.898 1.00 33.50 C ATOM 1844 OD1 ASN A 143 55.316 21.140 49.593 1.00 36.50 O ATOM 1845 ND2 ASN A 143 54.085 22.336 50.910 1.00 35.20 N ATOM 0 H ASN A 143 51.518 20.429 47.179 1.00 22.15 H new ATOM 0 HA ASN A 143 54.022 20.276 47.526 1.00 25.87 H new ATOM 0 HB2 ASN A 143 52.527 21.840 48.694 1.00 29.33 H new ATOM 0 HB3 ASN A 143 52.276 20.723 49.753 1.00 29.33 H new ATOM 0 HD21 ASN A 143 54.788 22.590 51.336 1.00 35.20 H new ATOM 0 HD22 ASN A 143 53.310 22.621 51.150 1.00 35.20 H new ATOM 1852 N THR A 144 54.909 18.552 49.072 1.00 25.54 N ATOM 1853 CA THR A 144 55.418 17.342 49.776 1.00 25.25 C ATOM 1854 C THR A 144 56.122 17.691 51.065 1.00 26.59 C ATOM 1855 O THR A 144 56.663 16.781 51.670 1.00 26.15 O ATOM 1856 CB THR A 144 56.431 16.561 48.879 1.00 26.23 C ATOM 1857 OG1 THR A 144 57.363 17.546 48.439 1.00 29.12 O ATOM 1858 CG2 THR A 144 55.811 15.995 47.597 1.00 26.19 C ATOM 0 H THR A 144 55.518 19.127 48.875 1.00 25.54 H new ATOM 0 HA THR A 144 54.641 16.795 49.970 1.00 25.25 H new ATOM 0 HB THR A 144 56.791 15.821 49.393 1.00 26.23 H new ATOM 0 HG1 THR A 144 58.134 17.339 48.700 1.00 29.12 H new ATOM 0 HG21 THR A 144 56.490 15.525 47.089 1.00 26.19 H new ATOM 0 HG22 THR A 144 55.096 15.381 47.827 1.00 26.19 H new ATOM 0 HG23 THR A 144 55.453 16.721 47.062 1.00 26.19 H new ATOM 1866 N LYS A 145 56.127 18.934 51.468 1.00 27.60 N ATOM 1867 CA LYS A 145 56.823 19.304 52.747 1.00 29.53 C ATOM 1868 C LYS A 145 55.792 19.836 53.732 1.00 29.28 C ATOM 1869 O LYS A 145 54.879 20.511 53.322 1.00 31.29 O ATOM 1870 CB LYS A 145 57.880 20.390 52.430 1.00 28.77 C ATOM 1871 CG LYS A 145 58.994 19.825 51.466 1.00 28.62 C ATOM 1872 CD LYS A 145 60.027 18.930 52.251 0.01 30.34 C ATOM 1873 CE LYS A 145 60.983 18.176 51.279 0.01 30.92 C ATOM 1874 NZ LYS A 145 60.257 17.065 50.600 0.01 30.96 N ATOM 0 H LYS A 145 55.753 19.587 51.052 1.00 27.60 H new ATOM 0 HA LYS A 145 57.262 18.533 53.139 1.00 29.53 H new ATOM 0 HB2 LYS A 145 57.449 21.156 52.019 1.00 28.77 H new ATOM 0 HB3 LYS A 145 58.287 20.701 53.254 1.00 28.77 H new ATOM 0 HG2 LYS A 145 58.581 19.303 50.761 1.00 28.62 H new ATOM 0 HG3 LYS A 145 59.459 20.561 51.039 1.00 28.62 H new ATOM 0 HD2 LYS A 145 60.547 19.486 52.852 0.01 30.34 H new ATOM 0 HD3 LYS A 145 59.550 18.288 52.800 0.01 30.34 H new ATOM 0 HE2 LYS A 145 61.335 18.793 50.618 0.01 30.92 H new ATOM 0 HE3 LYS A 145 61.741 17.823 51.770 0.01 30.92 H new ATOM 0 HZ1 LYS A 145 60.812 16.641 50.048 0.01 30.96 H new ATOM 0 HZ2 LYS A 145 59.952 16.493 51.210 0.01 30.96 H new ATOM 0 HZ3 LYS A 145 59.573 17.396 50.137 0.01 30.96 H new ATOM 1888 N SER A 146 55.932 19.560 54.993 0.54 32.41 N ATOM 1889 CA SER A 146 54.926 20.078 55.967 0.54 33.83 C ATOM 1890 C SER A 146 55.351 21.521 56.245 0.81 33.14 C ATOM 1891 O SER A 146 54.571 22.453 56.191 0.81 37.41 O ATOM 1892 CB SER A 146 54.978 19.229 57.271 0.54 34.44 C ATOM 1893 OG SER A 146 55.868 18.138 56.993 0.54 36.22 O ATOM 0 H SER A 146 56.570 19.092 55.331 0.54 32.41 H new ATOM 0 HA SER A 146 54.018 20.031 55.629 0.54 33.83 H new ATOM 0 HB2 SER A 146 55.299 19.758 58.018 0.54 34.44 H new ATOM 0 HB3 SER A 146 54.096 18.906 57.511 0.54 34.44 H new ATOM 0 HG SER A 146 55.931 17.648 57.672 0.54 36.22 H new ATOM 1899 N SER A 147 56.602 21.645 56.520 0.37 32.87 N ATOM 1900 CA SER A 147 57.194 22.959 56.819 1.00 32.75 C ATOM 1901 C SER A 147 58.066 23.217 55.603 1.00 34.68 C ATOM 1902 O SER A 147 59.174 22.723 55.525 0.37 35.51 O ATOM 1903 CB SER A 147 58.010 22.810 58.132 0.37 32.81 C ATOM 1904 OG SER A 147 57.138 22.035 58.965 0.37 31.18 O ATOM 0 H SER A 147 57.157 20.989 56.546 0.37 32.87 H new ATOM 0 HA SER A 147 56.572 23.689 56.960 1.00 32.75 H new ATOM 0 HB2 SER A 147 58.856 22.360 57.980 0.37 32.81 H new ATOM 0 HB3 SER A 147 58.214 23.672 58.528 0.37 32.81 H new ATOM 0 HG SER A 147 57.505 21.902 59.709 0.37 31.18 H new ATOM 1910 N GLY A 148 57.589 23.958 54.651 0.34 34.87 N ATOM 1911 CA GLY A 148 58.428 24.234 53.444 0.34 34.43 C ATOM 1912 C GLY A 148 57.603 24.035 52.190 0.34 35.05 C ATOM 1913 O GLY A 148 56.439 23.684 52.254 0.34 34.60 O ATOM 0 H GLY A 148 56.808 24.318 54.649 0.34 34.87 H new ATOM 0 HA2 GLY A 148 58.768 25.142 53.477 0.34 34.43 H new ATOM 0 HA3 GLY A 148 59.197 23.643 53.432 0.34 34.43 H new ATOM 1917 N THR A 149 58.213 24.271 51.072 0.37 34.13 N ATOM 1918 CA THR A 149 57.509 24.120 49.783 0.37 33.52 C ATOM 1919 C THR A 149 58.336 23.276 48.803 0.37 32.78 C ATOM 1920 O THR A 149 59.450 23.659 48.502 0.37 33.59 O ATOM 1921 CB THR A 149 57.270 25.572 49.304 0.37 34.15 C ATOM 1922 OG1 THR A 149 56.471 26.173 50.318 0.37 32.92 O ATOM 1923 CG2 THR A 149 56.366 25.709 48.092 0.37 34.45 C ATOM 0 H THR A 149 59.034 24.521 51.009 0.37 34.13 H new ATOM 0 HA THR A 149 56.669 23.641 49.856 0.37 33.52 H new ATOM 0 HB THR A 149 58.144 25.944 49.109 0.37 34.15 H new ATOM 0 HG1 THR A 149 56.309 26.971 50.111 0.37 32.92 H new ATOM 0 HG21 THR A 149 56.272 26.647 47.863 0.37 34.45 H new ATOM 0 HG22 THR A 149 56.754 25.231 47.343 0.37 34.45 H new ATOM 0 HG23 THR A 149 55.493 25.337 48.295 0.37 34.45 H new ATOM 1931 N SER A 150 57.811 22.175 48.346 1.00 33.20 N ATOM 1932 CA SER A 150 58.554 21.311 47.373 1.00 32.32 C ATOM 1933 C SER A 150 57.388 20.770 46.551 1.00 28.17 C ATOM 1934 O SER A 150 56.445 20.195 47.059 1.00 26.52 O ATOM 1935 CB SER A 150 59.293 20.154 48.066 1.00 33.06 C ATOM 1936 OG SER A 150 60.249 19.655 47.129 1.00 32.64 O ATOM 0 H SER A 150 57.032 21.883 48.565 1.00 33.20 H new ATOM 0 HA SER A 150 59.243 21.780 46.877 1.00 32.32 H new ATOM 0 HB2 SER A 150 59.732 20.461 48.875 1.00 33.06 H new ATOM 0 HB3 SER A 150 58.672 19.457 48.328 1.00 33.06 H new ATOM 0 HG SER A 150 60.675 19.019 47.475 1.00 32.64 H new ATOM 1942 N TYR A 151 57.466 20.986 45.296 1.00 24.92 N ATOM 1943 CA TYR A 151 56.395 20.499 44.436 1.00 27.57 C ATOM 1944 C TYR A 151 57.066 19.511 43.502 1.00 27.30 C ATOM 1945 O TYR A 151 58.016 19.893 42.832 1.00 27.11 O ATOM 1946 CB TYR A 151 55.810 21.675 43.689 1.00 30.95 C ATOM 1947 CG TYR A 151 54.760 22.335 44.563 1.00 30.72 C ATOM 1948 CD1 TYR A 151 53.475 21.859 44.498 1.00 33.33 C ATOM 1949 CD2 TYR A 151 55.056 23.384 45.395 1.00 30.64 C ATOM 1950 CE1 TYR A 151 52.478 22.416 45.253 1.00 33.45 C ATOM 1951 CE2 TYR A 151 54.052 23.942 46.156 1.00 31.53 C ATOM 1952 CZ TYR A 151 52.759 23.462 46.090 1.00 32.48 C ATOM 1953 OH TYR A 151 51.773 24.038 46.860 1.00 34.55 O ATOM 0 H TYR A 151 58.106 21.402 44.899 1.00 24.92 H new ATOM 0 HA TYR A 151 55.667 20.074 44.916 1.00 27.57 H new ATOM 0 HB2 TYR A 151 56.507 22.310 43.464 1.00 30.95 H new ATOM 0 HB3 TYR A 151 55.415 21.380 42.854 1.00 30.95 H new ATOM 0 HD1 TYR A 151 53.278 21.147 43.933 1.00 33.33 H new ATOM 0 HD2 TYR A 151 55.924 23.715 45.445 1.00 30.64 H new ATOM 0 HE1 TYR A 151 51.611 22.084 45.197 1.00 33.45 H new ATOM 0 HE2 TYR A 151 54.248 24.653 46.723 1.00 31.53 H new ATOM 0 HH TYR A 151 51.192 23.461 47.049 1.00 34.55 H new ATOM 1963 N PRO A 152 56.571 18.292 43.476 1.00 24.44 N ATOM 1964 CA PRO A 152 57.122 17.211 42.638 1.00 24.56 C ATOM 1965 C PRO A 152 56.615 17.296 41.222 1.00 25.09 C ATOM 1966 O PRO A 152 55.654 17.989 40.939 1.00 24.33 O ATOM 1967 CB PRO A 152 56.669 15.942 43.338 1.00 24.00 C ATOM 1968 CG PRO A 152 55.220 16.322 43.830 1.00 23.08 C ATOM 1969 CD PRO A 152 55.400 17.802 44.289 1.00 25.37 C ATOM 0 HA PRO A 152 58.087 17.255 42.553 1.00 24.56 H new ATOM 0 HB2 PRO A 152 56.658 15.182 42.736 1.00 24.00 H new ATOM 0 HB3 PRO A 152 57.252 15.710 44.078 1.00 24.00 H new ATOM 0 HG2 PRO A 152 54.564 16.241 43.120 1.00 23.08 H new ATOM 0 HG3 PRO A 152 54.924 15.752 44.556 1.00 23.08 H new ATOM 0 HD2 PRO A 152 54.603 18.327 44.117 1.00 25.37 H new ATOM 0 HD3 PRO A 152 55.578 17.860 45.241 1.00 25.37 H new ATOM 1977 N ASP A 153 57.273 16.576 40.366 1.00 26.60 N ATOM 1978 CA ASP A 153 56.806 16.610 38.958 1.00 25.00 C ATOM 1979 C ASP A 153 56.142 15.308 38.610 1.00 23.09 C ATOM 1980 O ASP A 153 55.363 15.292 37.679 1.00 18.84 O ATOM 1981 CB ASP A 153 57.986 16.865 38.002 1.00 28.93 C ATOM 1982 CG ASP A 153 58.482 18.326 38.187 1.00 33.27 C ATOM 1983 OD1 ASP A 153 57.663 19.225 38.362 1.00 38.67 O ATOM 1984 OD2 ASP A 153 59.690 18.456 38.128 1.00 39.93 O ATOM 0 H ASP A 153 57.955 16.080 40.534 1.00 26.60 H new ATOM 0 HA ASP A 153 56.167 17.334 38.862 1.00 25.00 H new ATOM 0 HB2 ASP A 153 58.706 16.241 38.185 1.00 28.93 H new ATOM 0 HB3 ASP A 153 57.710 16.719 37.084 1.00 28.93 H new ATOM 1989 N VAL A 154 56.442 14.266 39.344 1.00 20.18 N ATOM 1990 CA VAL A 154 55.832 12.943 39.067 1.00 20.64 C ATOM 1991 C VAL A 154 54.749 12.739 40.124 1.00 17.02 C ATOM 1992 O VAL A 154 54.715 13.427 41.133 1.00 18.96 O ATOM 1993 CB VAL A 154 56.942 11.863 39.128 1.00 21.53 C ATOM 1994 CG1 VAL A 154 57.894 12.099 37.919 1.00 21.87 C ATOM 1995 CG2 VAL A 154 57.768 11.936 40.432 1.00 24.07 C ATOM 0 H VAL A 154 56.989 14.280 40.007 1.00 20.18 H new ATOM 0 HA VAL A 154 55.431 12.884 38.186 1.00 20.64 H new ATOM 0 HB VAL A 154 56.522 10.989 39.101 1.00 21.53 H new ATOM 0 HG11 VAL A 154 58.602 11.436 37.930 1.00 21.87 H new ATOM 0 HG12 VAL A 154 57.393 12.022 37.092 1.00 21.87 H new ATOM 0 HG13 VAL A 154 58.282 12.986 37.980 1.00 21.87 H new ATOM 0 HG21 VAL A 154 58.447 11.244 40.424 1.00 24.07 H new ATOM 0 HG22 VAL A 154 58.194 12.805 40.497 1.00 24.07 H new ATOM 0 HG23 VAL A 154 57.182 11.805 41.194 1.00 24.07 H new ATOM 2005 N LEU A 155 53.869 11.752 39.876 1.00 16.94 N ATOM 2006 CA LEU A 155 52.732 11.450 40.824 1.00 18.59 C ATOM 2007 C LEU A 155 53.177 10.811 42.113 1.00 15.73 C ATOM 2008 O LEU A 155 53.984 9.894 42.066 1.00 14.95 O ATOM 2009 CB LEU A 155 51.799 10.495 40.159 1.00 19.02 C ATOM 2010 CG LEU A 155 50.341 10.526 40.632 1.00 17.74 C ATOM 2011 CD1 LEU A 155 49.949 11.993 40.729 1.00 14.38 C ATOM 2012 CD2 LEU A 155 49.359 9.737 39.814 1.00 16.34 C ATOM 0 H LEU A 155 53.898 11.245 39.182 1.00 16.94 H new ATOM 0 HA LEU A 155 52.317 12.300 41.038 1.00 18.59 H new ATOM 0 HB2 LEU A 155 51.813 10.671 39.205 1.00 19.02 H new ATOM 0 HB3 LEU A 155 52.141 9.596 40.287 1.00 19.02 H new ATOM 0 HG LEU A 155 50.298 10.072 41.488 1.00 17.74 H new ATOM 0 HD11 LEU A 155 49.028 12.063 41.027 1.00 14.38 H new ATOM 0 HD12 LEU A 155 50.529 12.442 41.364 1.00 14.38 H new ATOM 0 HD13 LEU A 155 50.040 12.411 39.858 1.00 14.38 H new ATOM 0 HD21 LEU A 155 48.473 9.825 40.199 1.00 16.34 H new ATOM 0 HD22 LEU A 155 49.351 10.074 38.904 1.00 16.34 H new ATOM 0 HD23 LEU A 155 49.618 8.802 39.810 1.00 16.34 H new ATOM 2024 N LYS A 156 52.659 11.296 43.173 1.00 18.70 N ATOM 2025 CA LYS A 156 53.015 10.751 44.508 1.00 18.57 C ATOM 2026 C LYS A 156 51.708 10.108 45.033 1.00 16.51 C ATOM 2027 O LYS A 156 50.607 10.586 44.803 1.00 14.83 O ATOM 2028 CB LYS A 156 53.485 11.868 45.464 1.00 18.00 C ATOM 2029 CG LYS A 156 54.816 12.544 44.902 1.00 21.80 C ATOM 2030 CD LYS A 156 56.055 11.578 44.915 1.00 24.10 C ATOM 2031 CE LYS A 156 57.353 12.385 44.547 1.00 24.77 C ATOM 2032 NZ LYS A 156 58.561 11.657 45.047 0.28 24.86 N ATOM 0 H LYS A 156 52.093 11.943 43.186 1.00 18.70 H new ATOM 0 HA LYS A 156 53.747 10.117 44.452 1.00 18.57 H new ATOM 0 HB2 LYS A 156 52.789 12.537 45.559 1.00 18.00 H new ATOM 0 HB3 LYS A 156 53.648 11.501 46.347 1.00 18.00 H new ATOM 0 HG2 LYS A 156 54.659 12.847 43.994 1.00 21.80 H new ATOM 0 HG3 LYS A 156 55.021 13.330 45.432 1.00 21.80 H new ATOM 0 HD2 LYS A 156 56.152 11.173 45.791 1.00 24.10 H new ATOM 0 HD3 LYS A 156 55.921 10.856 44.281 1.00 24.10 H new ATOM 0 HE2 LYS A 156 57.410 12.501 43.586 1.00 24.77 H new ATOM 0 HE3 LYS A 156 57.314 13.272 44.938 1.00 24.77 H new ATOM 0 HZ1 LYS A 156 59.296 12.087 44.787 0.28 24.86 H new ATOM 0 HZ2 LYS A 156 58.539 11.620 45.936 0.28 24.86 H new ATOM 0 HZ3 LYS A 156 58.568 10.831 44.716 0.28 24.86 H new ATOM 2046 N CYS A 157 51.928 9.037 45.726 1.00 15.09 N ATOM 2047 CA CYS A 157 50.900 8.195 46.346 1.00 17.70 C ATOM 2048 C CYS A 157 51.083 8.067 47.837 1.00 19.93 C ATOM 2049 O CYS A 157 52.169 8.145 48.389 1.00 25.60 O ATOM 2050 CB CYS A 157 50.980 6.821 45.710 1.00 19.89 C ATOM 2051 SG CYS A 157 50.134 6.581 44.142 1.00 18.56 S ATOM 0 H CYS A 157 52.724 8.744 45.869 1.00 15.09 H new ATOM 0 HA CYS A 157 50.034 8.607 46.201 1.00 17.70 H new ATOM 0 HB2 CYS A 157 51.917 6.605 45.581 1.00 19.89 H new ATOM 0 HB3 CYS A 157 50.625 6.177 46.343 1.00 19.89 H new ATOM 2056 N LEU A 158 49.962 7.857 48.437 1.00 22.34 N ATOM 2057 CA LEU A 158 49.863 7.690 49.897 1.00 20.75 C ATOM 2058 C LEU A 158 48.750 6.686 50.267 1.00 22.40 C ATOM 2059 O LEU A 158 47.618 6.828 49.832 1.00 18.06 O ATOM 2060 CB LEU A 158 49.568 9.052 50.487 1.00 21.31 C ATOM 2061 CG LEU A 158 49.275 8.961 51.985 1.00 20.91 C ATOM 2062 CD1 LEU A 158 50.559 8.476 52.742 1.00 22.17 C ATOM 2063 CD2 LEU A 158 48.873 10.397 52.449 1.00 21.14 C ATOM 0 H LEU A 158 49.208 7.802 48.027 1.00 22.34 H new ATOM 0 HA LEU A 158 50.693 7.335 50.251 1.00 20.75 H new ATOM 0 HB2 LEU A 158 50.324 9.641 50.339 1.00 21.31 H new ATOM 0 HB3 LEU A 158 48.808 9.446 50.031 1.00 21.31 H new ATOM 0 HG LEU A 158 48.564 8.329 52.173 1.00 20.91 H new ATOM 0 HD11 LEU A 158 50.372 8.419 53.692 1.00 22.17 H new ATOM 0 HD12 LEU A 158 50.820 7.602 52.411 1.00 22.17 H new ATOM 0 HD13 LEU A 158 51.281 9.107 52.592 1.00 22.17 H new ATOM 0 HD21 LEU A 158 48.677 10.387 53.399 1.00 21.14 H new ATOM 0 HD22 LEU A 158 49.605 11.010 52.277 1.00 21.14 H new ATOM 0 HD23 LEU A 158 48.087 10.687 51.960 1.00 21.14 H new ATOM 2075 N LYS A 159 49.097 5.712 51.074 1.00 21.43 N ATOM 2076 CA LYS A 159 48.098 4.691 51.507 1.00 20.26 C ATOM 2077 C LYS A 159 47.734 5.194 52.910 1.00 20.46 C ATOM 2078 O LYS A 159 48.594 5.433 53.749 1.00 18.84 O ATOM 2079 CB LYS A 159 48.721 3.342 51.607 1.00 21.83 C ATOM 2080 CG LYS A 159 48.981 2.695 50.188 1.00 23.21 C ATOM 2081 CD LYS A 159 49.709 1.337 50.443 0.08 24.27 C ATOM 2082 CE LYS A 159 49.823 0.475 49.170 0.08 25.63 C ATOM 2083 NZ LYS A 159 50.719 1.115 48.171 0.08 25.89 N ATOM 0 H LYS A 159 49.888 5.602 51.393 1.00 21.43 H new ATOM 0 HA LYS A 159 47.349 4.598 50.898 1.00 20.26 H new ATOM 0 HB2 LYS A 159 49.561 3.411 52.088 1.00 21.83 H new ATOM 0 HB3 LYS A 159 48.144 2.759 52.125 1.00 21.83 H new ATOM 0 HG2 LYS A 159 48.146 2.555 49.715 1.00 23.21 H new ATOM 0 HG3 LYS A 159 49.525 3.280 49.637 1.00 23.21 H new ATOM 0 HD2 LYS A 159 50.597 1.511 50.792 0.08 24.27 H new ATOM 0 HD3 LYS A 159 49.229 0.840 51.124 0.08 24.27 H new ATOM 0 HE2 LYS A 159 50.164 -0.403 49.400 0.08 25.63 H new ATOM 0 HE3 LYS A 159 48.943 0.345 48.784 0.08 25.63 H new ATOM 0 HZ1 LYS A 159 50.626 0.709 47.385 0.08 25.89 H new ATOM 0 HZ2 LYS A 159 50.505 1.975 48.087 0.08 25.89 H new ATOM 0 HZ3 LYS A 159 51.564 1.045 48.442 0.08 25.89 H new ATOM 2097 N ALA A 160 46.475 5.370 53.136 1.00 20.41 N ATOM 2098 CA ALA A 160 46.066 5.860 54.468 1.00 20.60 C ATOM 2099 C ALA A 160 44.702 5.324 54.818 1.00 17.75 C ATOM 2100 O ALA A 160 43.879 5.179 53.954 1.00 14.77 O ATOM 2101 CB ALA A 160 46.069 7.433 54.454 1.00 23.46 C ATOM 0 H ALA A 160 45.839 5.227 52.575 1.00 20.41 H new ATOM 0 HA ALA A 160 46.689 5.549 55.143 1.00 20.60 H new ATOM 0 HB1 ALA A 160 45.801 7.765 55.325 1.00 23.46 H new ATOM 0 HB2 ALA A 160 46.961 7.753 54.246 1.00 23.46 H new ATOM 0 HB3 ALA A 160 45.447 7.752 53.782 1.00 23.46 H new ATOM 2107 N PRO A 161 44.469 5.041 56.067 1.00 22.89 N ATOM 2108 CA PRO A 161 43.165 4.519 56.507 1.00 20.89 C ATOM 2109 C PRO A 161 42.152 5.576 56.866 1.00 18.91 C ATOM 2110 O PRO A 161 42.498 6.696 57.186 1.00 19.65 O ATOM 2111 CB PRO A 161 43.505 3.669 57.686 1.00 21.09 C ATOM 2112 CG PRO A 161 44.629 4.540 58.376 1.00 21.25 C ATOM 2113 CD PRO A 161 45.458 5.144 57.189 1.00 20.57 C ATOM 0 HA PRO A 161 42.728 4.038 55.786 1.00 20.89 H new ATOM 0 HB2 PRO A 161 42.742 3.528 58.268 1.00 21.09 H new ATOM 0 HB3 PRO A 161 43.829 2.793 57.425 1.00 21.09 H new ATOM 0 HG2 PRO A 161 44.243 5.239 58.927 1.00 21.25 H new ATOM 0 HG3 PRO A 161 45.188 3.998 58.955 1.00 21.25 H new ATOM 0 HD2 PRO A 161 45.727 6.061 57.358 1.00 20.57 H new ATOM 0 HD3 PRO A 161 46.267 4.639 57.012 1.00 20.57 H new ATOM 2121 N ILE A 162 40.923 5.163 56.809 1.00 18.62 N ATOM 2122 CA ILE A 162 39.806 6.065 57.136 1.00 15.92 C ATOM 2123 C ILE A 162 39.840 6.057 58.633 1.00 15.61 C ATOM 2124 O ILE A 162 39.974 4.996 59.217 1.00 17.43 O ATOM 2125 CB ILE A 162 38.491 5.457 56.572 1.00 17.56 C ATOM 2126 CG1 ILE A 162 38.633 5.498 55.034 1.00 18.66 C ATOM 2127 CG2 ILE A 162 37.277 6.286 57.023 1.00 15.56 C ATOM 2128 CD1 ILE A 162 37.354 5.091 54.323 1.00 20.36 C ATOM 0 H ILE A 162 40.689 4.366 56.585 1.00 18.62 H new ATOM 0 HA ILE A 162 39.863 6.961 56.768 1.00 15.92 H new ATOM 0 HB ILE A 162 38.351 4.552 56.893 1.00 17.56 H new ATOM 0 HG12 ILE A 162 38.882 6.394 54.759 1.00 18.66 H new ATOM 0 HG13 ILE A 162 39.353 4.907 54.762 1.00 18.66 H new ATOM 0 HG21 ILE A 162 36.466 5.894 56.663 1.00 15.56 H new ATOM 0 HG22 ILE A 162 37.231 6.292 57.992 1.00 15.56 H new ATOM 0 HG23 ILE A 162 37.368 7.196 56.699 1.00 15.56 H new ATOM 0 HD11 ILE A 162 37.490 5.132 53.363 1.00 20.36 H new ATOM 0 HD12 ILE A 162 37.116 4.186 54.577 1.00 20.36 H new ATOM 0 HD13 ILE A 162 36.638 5.695 54.573 1.00 20.36 H new ATOM 2140 N LEU A 163 39.711 7.212 59.195 1.00 16.57 N ATOM 2141 CA LEU A 163 39.727 7.336 60.683 1.00 19.15 C ATOM 2142 C LEU A 163 38.286 7.397 61.195 1.00 21.18 C ATOM 2143 O LEU A 163 37.350 7.732 60.479 1.00 17.67 O ATOM 2144 CB LEU A 163 40.415 8.619 61.109 1.00 21.33 C ATOM 2145 CG LEU A 163 41.853 8.711 60.589 1.00 23.47 C ATOM 2146 CD1 LEU A 163 42.414 10.079 61.051 1.00 25.11 C ATOM 2147 CD2 LEU A 163 42.739 7.585 61.178 1.00 25.69 C ATOM 0 H LEU A 163 39.612 7.953 58.770 1.00 16.57 H new ATOM 0 HA LEU A 163 40.202 6.572 61.046 1.00 19.15 H new ATOM 0 HB2 LEU A 163 39.907 9.379 60.784 1.00 21.33 H new ATOM 0 HB3 LEU A 163 40.420 8.674 62.077 1.00 21.33 H new ATOM 0 HG LEU A 163 41.857 8.620 59.623 1.00 23.47 H new ATOM 0 HD11 LEU A 163 43.328 10.176 60.740 1.00 25.11 H new ATOM 0 HD12 LEU A 163 41.870 10.793 60.683 1.00 25.11 H new ATOM 0 HD13 LEU A 163 42.396 10.126 62.020 1.00 25.11 H new ATOM 0 HD21 LEU A 163 43.641 7.668 60.832 1.00 25.69 H new ATOM 0 HD22 LEU A 163 42.756 7.659 62.145 1.00 25.69 H new ATOM 0 HD23 LEU A 163 42.375 6.722 60.926 1.00 25.69 H new ATOM 2159 N SER A 164 38.140 7.081 62.441 1.00 22.21 N ATOM 2160 CA SER A 164 36.786 7.106 63.029 1.00 24.98 C ATOM 2161 C SER A 164 36.259 8.532 62.997 1.00 21.46 C ATOM 2162 O SER A 164 37.008 9.490 63.086 1.00 22.36 O ATOM 2163 CB SER A 164 36.872 6.589 64.501 1.00 26.99 C ATOM 2164 OG SER A 164 37.814 7.415 65.205 1.00 28.51 O ATOM 0 H SER A 164 38.774 6.851 62.974 1.00 22.21 H new ATOM 0 HA SER A 164 36.183 6.537 62.525 1.00 24.98 H new ATOM 0 HB2 SER A 164 36.001 6.629 64.926 1.00 26.99 H new ATOM 0 HB3 SER A 164 37.154 5.661 64.519 1.00 26.99 H new ATOM 0 HG SER A 164 37.438 7.766 65.869 1.00 28.51 H new ATOM 2170 N ASP A 165 34.985 8.679 62.869 1.00 23.20 N ATOM 2171 CA ASP A 165 34.489 10.080 62.851 1.00 26.79 C ATOM 2172 C ASP A 165 34.758 10.732 64.178 1.00 26.47 C ATOM 2173 O ASP A 165 34.809 11.942 64.236 1.00 27.92 O ATOM 2174 CB ASP A 165 32.979 10.129 62.566 1.00 30.63 C ATOM 2175 CG ASP A 165 32.793 9.747 61.089 1.00 34.60 C ATOM 2176 OD1 ASP A 165 33.372 10.462 60.290 1.00 37.66 O ATOM 2177 OD2 ASP A 165 32.096 8.777 60.831 1.00 39.73 O ATOM 0 H ASP A 165 34.398 8.055 62.794 1.00 23.20 H new ATOM 0 HA ASP A 165 34.956 10.554 62.145 1.00 26.79 H new ATOM 0 HB2 ASP A 165 32.500 9.514 63.143 1.00 30.63 H new ATOM 0 HB3 ASP A 165 32.625 11.015 62.739 1.00 30.63 H new ATOM 2182 N SER A 166 34.918 9.937 65.191 1.00 24.62 N ATOM 2183 CA SER A 166 35.181 10.463 66.545 1.00 25.09 C ATOM 2184 C SER A 166 36.515 11.178 66.585 1.00 24.11 C ATOM 2185 O SER A 166 36.620 12.275 67.087 1.00 28.93 O ATOM 2186 CB SER A 166 35.172 9.275 67.528 1.00 25.20 C ATOM 2187 OG SER A 166 35.684 8.207 66.727 0.14 23.46 O ATOM 0 H SER A 166 34.882 9.079 65.141 1.00 24.62 H new ATOM 0 HA SER A 166 34.497 11.105 66.793 1.00 25.09 H new ATOM 0 HB2 SER A 166 35.729 9.444 68.304 1.00 25.20 H new ATOM 0 HB3 SER A 166 34.279 9.084 67.856 1.00 25.20 H new ATOM 0 HG SER A 166 35.718 7.504 67.186 0.14 23.46 H new ATOM 2193 N SER A 167 37.517 10.545 66.050 1.00 25.25 N ATOM 2194 CA SER A 167 38.864 11.175 66.064 1.00 24.95 C ATOM 2195 C SER A 167 38.896 12.399 65.112 1.00 20.94 C ATOM 2196 O SER A 167 39.628 13.363 65.307 1.00 22.85 O ATOM 2197 CB SER A 167 39.822 10.066 65.672 1.00 26.89 C ATOM 2198 OG SER A 167 39.295 9.625 64.424 1.00 32.20 O ATOM 0 H SER A 167 37.473 9.771 65.677 1.00 25.25 H new ATOM 0 HA SER A 167 39.113 11.534 66.930 1.00 24.95 H new ATOM 0 HB2 SER A 167 40.732 10.390 65.585 1.00 26.89 H new ATOM 0 HB3 SER A 167 39.836 9.353 66.329 1.00 26.89 H new ATOM 0 HG SER A 167 38.876 8.905 64.535 1.00 32.20 H new ATOM 2204 N CYS A 168 38.085 12.301 64.096 1.00 19.85 N ATOM 2205 CA CYS A 168 37.988 13.396 63.080 1.00 18.19 C ATOM 2206 C CYS A 168 37.356 14.634 63.765 1.00 18.59 C ATOM 2207 O CYS A 168 37.871 15.747 63.746 1.00 13.79 O ATOM 2208 CB CYS A 168 37.124 12.827 61.932 1.00 16.60 C ATOM 2209 SG CYS A 168 36.935 13.747 60.391 1.00 19.13 S ATOM 0 H CYS A 168 37.572 11.627 63.948 1.00 19.85 H new ATOM 0 HA CYS A 168 38.843 13.681 62.722 1.00 18.19 H new ATOM 0 HB2 CYS A 168 37.487 11.957 61.704 1.00 16.60 H new ATOM 0 HB3 CYS A 168 36.234 12.679 62.289 1.00 16.60 H new ATOM 2214 N LYS A 169 36.230 14.390 64.383 1.00 19.16 N ATOM 2215 CA LYS A 169 35.524 15.512 65.074 1.00 16.72 C ATOM 2216 C LYS A 169 36.265 16.030 66.297 1.00 12.80 C ATOM 2217 O LYS A 169 36.002 17.154 66.658 1.00 17.16 O ATOM 2218 CB LYS A 169 34.135 15.036 65.465 1.00 14.08 C ATOM 2219 CG LYS A 169 33.275 14.903 64.194 1.00 16.29 C ATOM 2220 CD LYS A 169 32.030 14.088 64.540 1.00 18.98 C ATOM 2221 CE LYS A 169 31.142 13.921 63.296 1.00 21.20 C ATOM 2222 NZ LYS A 169 30.076 12.925 63.584 1.00 20.99 N ATOM 0 H LYS A 169 35.846 13.622 64.431 1.00 19.16 H new ATOM 0 HA LYS A 169 35.477 16.258 64.456 1.00 16.72 H new ATOM 0 HB2 LYS A 169 34.190 14.183 65.923 1.00 14.08 H new ATOM 0 HB3 LYS A 169 33.727 15.664 66.082 1.00 14.08 H new ATOM 0 HG2 LYS A 169 33.024 15.779 63.863 1.00 16.29 H new ATOM 0 HG3 LYS A 169 33.779 14.467 63.489 1.00 16.29 H new ATOM 0 HD2 LYS A 169 32.289 13.217 64.880 1.00 18.98 H new ATOM 0 HD3 LYS A 169 31.531 14.530 65.245 1.00 18.98 H new ATOM 0 HE2 LYS A 169 30.746 14.772 63.051 1.00 21.20 H new ATOM 0 HE3 LYS A 169 31.676 13.629 62.541 1.00 21.20 H new ATOM 0 HZ1 LYS A 169 29.560 12.826 62.866 1.00 20.99 H new ATOM 0 HZ2 LYS A 169 30.448 12.144 63.792 1.00 20.99 H new ATOM 0 HZ3 LYS A 169 29.581 13.209 64.267 1.00 20.99 H new ATOM 2236 N SER A 170 37.129 15.274 66.919 1.00 20.97 N ATOM 2237 CA SER A 170 37.860 15.812 68.120 1.00 19.85 C ATOM 2238 C SER A 170 38.919 16.790 67.664 1.00 19.63 C ATOM 2239 O SER A 170 39.197 17.798 68.292 1.00 21.13 O ATOM 2240 CB ASER A 170 38.499 14.642 68.877 0.12 20.45 C ATOM 2241 CB BSER A 170 38.547 14.677 68.860 0.53 18.95 C ATOM 2242 OG ASER A 170 38.942 13.780 67.840 0.12 20.15 O ATOM 2243 OG BSER A 170 37.474 13.779 69.111 0.53 21.17 O ATOM 0 H SER A 170 37.327 14.467 66.698 1.00 20.97 H new ATOM 0 HA SER A 170 37.244 16.274 68.710 1.00 19.85 H new ATOM 0 HB2ASER A 170 39.235 14.937 69.435 0.12 18.95 H new ATOM 0 HB2BSER A 170 39.244 14.266 68.324 0.53 18.95 H new ATOM 0 HB3ASER A 170 37.860 14.202 69.459 0.12 18.95 H new ATOM 0 HB3BSER A 170 38.963 14.981 69.682 0.53 18.95 H new ATOM 0 HG ASER A 170 39.693 13.463 68.041 0.12 21.17 H new ATOM 0 HG BSER A 170 37.369 13.275 68.447 0.53 21.17 H new ATOM 2252 N ALA A 171 39.479 16.412 66.549 1.00 22.26 N ATOM 2253 CA ALA A 171 40.551 17.228 65.919 1.00 21.28 C ATOM 2254 C ALA A 171 39.936 18.492 65.341 1.00 21.12 C ATOM 2255 O ALA A 171 40.541 19.545 65.377 1.00 22.18 O ATOM 2256 CB ALA A 171 41.225 16.413 64.813 1.00 21.08 C ATOM 0 H ALA A 171 39.274 15.695 66.122 1.00 22.26 H new ATOM 0 HA ALA A 171 41.218 17.471 66.580 1.00 21.28 H new ATOM 0 HB1 ALA A 171 41.925 16.943 64.401 1.00 21.08 H new ATOM 0 HB2 ALA A 171 41.611 15.609 65.193 1.00 21.08 H new ATOM 0 HB3 ALA A 171 40.567 16.170 64.143 1.00 21.08 H new ATOM 2262 N TYR A 172 38.751 18.365 64.806 1.00 22.38 N ATOM 2263 CA TYR A 172 38.070 19.547 64.207 1.00 16.09 C ATOM 2264 C TYR A 172 36.686 19.752 64.817 1.00 19.24 C ATOM 2265 O TYR A 172 35.712 19.524 64.144 1.00 14.79 O ATOM 2266 CB TYR A 172 37.966 19.323 62.695 1.00 17.69 C ATOM 2267 CG TYR A 172 39.341 19.201 61.997 1.00 16.36 C ATOM 2268 CD1 TYR A 172 39.767 17.976 61.526 1.00 18.37 C ATOM 2269 CD2 TYR A 172 40.158 20.319 61.815 1.00 16.86 C ATOM 2270 CE1 TYR A 172 40.982 17.880 60.885 1.00 16.26 C ATOM 2271 CE2 TYR A 172 41.363 20.209 61.175 1.00 11.98 C ATOM 2272 CZ TYR A 172 41.764 18.979 60.713 1.00 13.21 C ATOM 2273 OH TYR A 172 42.966 18.849 60.073 1.00 13.77 O ATOM 0 H TYR A 172 38.308 17.629 64.766 1.00 22.38 H new ATOM 0 HA TYR A 172 38.585 20.348 64.391 1.00 16.09 H new ATOM 0 HB2 TYR A 172 37.453 18.516 62.529 1.00 17.69 H new ATOM 0 HB3 TYR A 172 37.474 20.059 62.299 1.00 17.69 H new ATOM 0 HD1 TYR A 172 39.237 17.220 61.641 1.00 18.37 H new ATOM 0 HD2 TYR A 172 39.880 21.148 62.132 1.00 16.86 H new ATOM 0 HE1 TYR A 172 41.271 17.055 60.567 1.00 16.26 H new ATOM 0 HE2 TYR A 172 41.903 20.957 61.055 1.00 11.98 H new ATOM 0 HH TYR A 172 42.977 18.129 59.640 1.00 13.77 H new ATOM 2283 N PRO A 173 36.568 20.163 66.052 1.00 22.52 N ATOM 2284 CA PRO A 173 35.251 20.316 66.740 1.00 22.40 C ATOM 2285 C PRO A 173 34.318 21.281 66.034 1.00 20.55 C ATOM 2286 O PRO A 173 34.668 22.405 65.744 1.00 25.64 O ATOM 2287 CB PRO A 173 35.602 20.779 68.153 1.00 22.84 C ATOM 2288 CG PRO A 173 37.050 20.225 68.333 1.00 22.01 C ATOM 2289 CD PRO A 173 37.701 20.507 66.947 1.00 22.56 C ATOM 0 HA PRO A 173 34.756 19.482 66.741 1.00 22.40 H new ATOM 0 HB2 PRO A 173 35.571 21.745 68.236 1.00 22.84 H new ATOM 0 HB3 PRO A 173 34.991 20.418 68.815 1.00 22.84 H new ATOM 0 HG2 PRO A 173 37.521 20.676 69.051 1.00 22.01 H new ATOM 0 HG3 PRO A 173 37.050 19.278 68.545 1.00 22.01 H new ATOM 0 HD2 PRO A 173 37.982 21.430 66.851 1.00 22.56 H new ATOM 0 HD3 PRO A 173 38.482 19.955 66.785 1.00 22.56 H new ATOM 2297 N GLY A 174 33.139 20.835 65.763 1.00 18.81 N ATOM 2298 CA GLY A 174 32.146 21.712 65.080 1.00 20.58 C ATOM 2299 C GLY A 174 32.408 22.022 63.616 1.00 16.07 C ATOM 2300 O GLY A 174 31.713 22.859 63.078 1.00 20.02 O ATOM 0 H GLY A 174 32.860 20.043 65.948 1.00 18.81 H new ATOM 0 HA2 GLY A 174 31.273 21.294 65.150 1.00 20.58 H new ATOM 0 HA3 GLY A 174 32.099 22.551 65.564 1.00 20.58 H new ATOM 2304 N GLN A 175 33.374 21.382 63.010 1.00 18.71 N ATOM 2305 CA GLN A 175 33.684 21.641 61.556 1.00 16.03 C ATOM 2306 C GLN A 175 33.327 20.501 60.593 1.00 16.09 C ATOM 2307 O GLN A 175 33.112 20.743 59.420 1.00 14.88 O ATOM 2308 CB GLN A 175 35.216 21.943 61.383 1.00 18.93 C ATOM 2309 CG GLN A 175 35.625 23.244 62.124 1.00 22.93 C ATOM 2310 CD GLN A 175 37.078 23.561 61.788 1.00 26.60 C ATOM 2311 OE1 GLN A 175 37.977 22.928 62.303 1.00 33.39 O ATOM 2312 NE2 GLN A 175 37.375 24.500 60.953 1.00 28.07 N ATOM 0 H GLN A 175 33.877 20.794 63.386 1.00 18.71 H new ATOM 0 HA GLN A 175 33.123 22.396 61.320 1.00 16.03 H new ATOM 0 HB2 GLN A 175 35.735 21.198 61.724 1.00 18.93 H new ATOM 0 HB3 GLN A 175 35.426 22.026 60.440 1.00 18.93 H new ATOM 0 HG2 GLN A 175 35.050 23.978 61.857 1.00 22.93 H new ATOM 0 HG3 GLN A 175 35.518 23.134 63.082 1.00 22.93 H new ATOM 0 HE21 GLN A 175 36.750 24.957 60.580 1.00 28.07 H new ATOM 0 HE22 GLN A 175 38.198 24.668 60.770 1.00 28.07 H new ATOM 2321 N ILE A 176 33.268 19.313 61.107 1.00 16.24 N ATOM 2322 CA ILE A 176 32.952 18.109 60.307 1.00 12.48 C ATOM 2323 C ILE A 176 31.455 17.845 60.161 1.00 15.87 C ATOM 2324 O ILE A 176 30.746 17.889 61.146 1.00 18.70 O ATOM 2325 CB ILE A 176 33.642 16.937 60.988 1.00 13.11 C ATOM 2326 CG1 ILE A 176 35.170 17.253 61.202 1.00 11.96 C ATOM 2327 CG2 ILE A 176 33.529 15.598 60.189 1.00 12.75 C ATOM 2328 CD1 ILE A 176 35.918 17.589 59.873 1.00 11.99 C ATOM 0 H ILE A 176 33.408 19.151 61.940 1.00 16.24 H new ATOM 0 HA ILE A 176 33.270 18.241 59.400 1.00 12.48 H new ATOM 0 HB ILE A 176 33.185 16.819 61.835 1.00 13.11 H new ATOM 0 HG12 ILE A 176 35.258 18.001 61.814 1.00 11.96 H new ATOM 0 HG13 ILE A 176 35.597 16.490 61.623 1.00 11.96 H new ATOM 0 HG21 ILE A 176 33.987 14.893 60.673 1.00 12.75 H new ATOM 0 HG22 ILE A 176 32.594 15.362 60.082 1.00 12.75 H new ATOM 0 HG23 ILE A 176 33.936 15.707 59.315 1.00 12.75 H new ATOM 0 HD11 ILE A 176 36.851 17.774 60.064 1.00 11.99 H new ATOM 0 HD12 ILE A 176 35.856 16.834 59.267 1.00 11.99 H new ATOM 0 HD13 ILE A 176 35.512 18.368 59.461 1.00 11.99 H new ATOM 2340 N THR A 177 31.020 17.573 58.955 1.00 14.37 N ATOM 2341 CA THR A 177 29.583 17.292 58.648 1.00 15.81 C ATOM 2342 C THR A 177 29.543 15.874 58.155 1.00 15.54 C ATOM 2343 O THR A 177 30.569 15.235 57.984 1.00 13.75 O ATOM 2344 CB THR A 177 29.049 18.241 57.527 1.00 15.07 C ATOM 2345 OG1 THR A 177 29.795 17.918 56.335 1.00 14.05 O ATOM 2346 CG2 THR A 177 29.405 19.673 57.925 1.00 11.68 C ATOM 0 H THR A 177 31.534 17.539 58.266 1.00 14.37 H new ATOM 0 HA THR A 177 29.030 17.431 59.433 1.00 15.81 H new ATOM 0 HB THR A 177 28.093 18.148 57.394 1.00 15.07 H new ATOM 0 HG1 THR A 177 29.523 18.392 55.697 1.00 14.05 H new ATOM 0 HG21 THR A 177 29.085 20.287 57.246 1.00 11.68 H new ATOM 0 HG22 THR A 177 28.988 19.886 58.775 1.00 11.68 H new ATOM 0 HG23 THR A 177 30.368 19.756 58.008 1.00 11.68 H new ATOM 2354 N SER A 178 28.364 15.414 57.912 1.00 18.48 N ATOM 2355 CA SER A 178 28.205 14.035 57.423 1.00 20.65 C ATOM 2356 C SER A 178 28.646 13.906 55.975 1.00 20.85 C ATOM 2357 O SER A 178 28.492 12.829 55.436 1.00 19.83 O ATOM 2358 CB SER A 178 26.750 13.670 57.555 1.00 22.51 C ATOM 2359 OG SER A 178 26.134 14.712 56.790 1.00 26.66 O ATOM 0 H SER A 178 27.633 15.855 58.013 1.00 18.48 H new ATOM 0 HA SER A 178 28.762 13.437 57.946 1.00 20.65 H new ATOM 0 HB2 SER A 178 26.559 12.789 57.196 1.00 22.51 H new ATOM 0 HB3 SER A 178 26.454 13.670 58.479 1.00 22.51 H new ATOM 0 HG SER A 178 25.301 14.607 56.793 1.00 26.66 H new ATOM 2365 N ASN A 179 29.168 14.950 55.372 1.00 20.58 N ATOM 2366 CA ASN A 179 29.607 14.820 53.941 1.00 17.73 C ATOM 2367 C ASN A 179 31.117 14.864 53.922 1.00 14.91 C ATOM 2368 O ASN A 179 31.693 15.120 52.877 1.00 16.31 O ATOM 2369 CB ASN A 179 29.124 15.981 53.080 1.00 16.21 C ATOM 2370 CG ASN A 179 27.635 16.067 53.031 1.00 16.53 C ATOM 2371 OD1 ASN A 179 26.928 15.101 52.797 1.00 18.33 O ATOM 2372 ND2 ASN A 179 27.109 17.226 53.241 1.00 15.55 N ATOM 0 H ASN A 179 29.286 15.723 55.729 1.00 20.58 H new ATOM 0 HA ASN A 179 29.240 13.994 53.588 1.00 17.73 H new ATOM 0 HB2 ASN A 179 29.483 16.812 53.430 1.00 16.21 H new ATOM 0 HB3 ASN A 179 29.470 15.879 52.180 1.00 16.21 H new ATOM 0 HD21 ASN A 179 26.255 17.321 53.217 1.00 15.55 H new ATOM 0 HD22 ASN A 179 27.613 17.903 53.406 1.00 15.55 H new ATOM 2379 N MET A 180 31.719 14.622 55.063 1.00 14.47 N ATOM 2380 CA MET A 180 33.195 14.625 55.225 1.00 13.02 C ATOM 2381 C MET A 180 33.633 13.435 56.063 1.00 13.02 C ATOM 2382 O MET A 180 32.871 12.927 56.854 1.00 13.62 O ATOM 2383 CB MET A 180 33.705 15.868 56.003 1.00 14.91 C ATOM 2384 CG MET A 180 33.221 17.230 55.481 1.00 13.95 C ATOM 2385 SD MET A 180 33.656 18.614 56.558 1.00 13.73 S ATOM 2386 CE MET A 180 33.251 20.051 55.565 1.00 12.25 C ATOM 0 H MET A 180 31.294 14.446 55.789 1.00 14.47 H new ATOM 0 HA MET A 180 33.555 14.610 54.324 1.00 13.02 H new ATOM 0 HB2 MET A 180 33.434 15.781 56.930 1.00 14.91 H new ATOM 0 HB3 MET A 180 34.675 15.862 55.989 1.00 14.91 H new ATOM 0 HG2 MET A 180 33.599 17.384 54.601 1.00 13.95 H new ATOM 0 HG3 MET A 180 32.257 17.203 55.375 1.00 13.95 H new ATOM 0 HE1 MET A 180 34.049 20.585 55.428 1.00 12.25 H new ATOM 0 HE2 MET A 180 32.903 19.764 54.706 1.00 12.25 H new ATOM 0 HE3 MET A 180 32.582 20.583 56.023 1.00 12.25 H new ATOM 2396 N PHE A 181 34.845 13.008 55.873 1.00 15.16 N ATOM 2397 CA PHE A 181 35.407 11.864 56.653 1.00 14.32 C ATOM 2398 C PHE A 181 36.896 12.239 56.705 1.00 14.34 C ATOM 2399 O PHE A 181 37.377 12.987 55.858 1.00 15.75 O ATOM 2400 CB PHE A 181 35.185 10.455 55.937 1.00 15.58 C ATOM 2401 CG PHE A 181 36.008 10.102 54.697 1.00 14.40 C ATOM 2402 CD1 PHE A 181 37.314 9.649 54.764 1.00 14.87 C ATOM 2403 CD2 PHE A 181 35.425 10.240 53.453 1.00 16.48 C ATOM 2404 CE1 PHE A 181 38.017 9.345 53.623 1.00 15.31 C ATOM 2405 CE2 PHE A 181 36.142 9.928 52.309 1.00 15.13 C ATOM 2406 CZ PHE A 181 37.443 9.480 52.387 1.00 13.38 C ATOM 0 H PHE A 181 35.389 13.348 55.300 1.00 15.16 H new ATOM 0 HA PHE A 181 34.987 11.747 57.519 1.00 14.32 H new ATOM 0 HB2 PHE A 181 35.346 9.764 56.599 1.00 15.58 H new ATOM 0 HB3 PHE A 181 34.249 10.399 55.690 1.00 15.58 H new ATOM 0 HD1 PHE A 181 37.722 9.549 55.594 1.00 14.87 H new ATOM 0 HD2 PHE A 181 34.549 10.543 53.383 1.00 16.48 H new ATOM 0 HE1 PHE A 181 38.894 9.044 53.691 1.00 15.31 H new ATOM 0 HE2 PHE A 181 35.739 10.022 51.476 1.00 15.13 H new ATOM 0 HZ PHE A 181 37.921 9.274 51.616 1.00 13.38 H new ATOM 2416 N CYS A 182 37.598 11.739 57.672 1.00 15.89 N ATOM 2417 CA CYS A 182 39.030 12.040 57.796 1.00 14.25 C ATOM 2418 C CYS A 182 39.780 10.755 57.517 1.00 17.14 C ATOM 2419 O CYS A 182 39.277 9.669 57.732 1.00 10.45 O ATOM 2420 CB CYS A 182 39.443 12.489 59.224 1.00 17.55 C ATOM 2421 SG CYS A 182 38.887 14.034 59.973 1.00 17.21 S ATOM 0 H CYS A 182 37.285 11.219 58.281 1.00 15.89 H new ATOM 0 HA CYS A 182 39.232 12.762 57.181 1.00 14.25 H new ATOM 0 HB2 CYS A 182 39.169 11.779 59.825 1.00 17.55 H new ATOM 0 HB3 CYS A 182 40.413 12.512 59.235 1.00 17.55 H new ATOM 2426 N ALA A 183 40.973 10.922 57.029 1.00 16.28 N ATOM 2427 CA ALA A 183 41.856 9.781 56.708 1.00 13.66 C ATOM 2428 C ALA A 183 43.205 10.307 56.995 1.00 11.90 C ATOM 2429 O ALA A 183 43.475 11.481 56.797 1.00 15.98 O ATOM 2430 CB ALA A 183 41.774 9.426 55.265 1.00 12.79 C ATOM 0 H ALA A 183 41.318 11.692 56.865 1.00 16.28 H new ATOM 0 HA ALA A 183 41.622 8.984 57.208 1.00 13.66 H new ATOM 0 HB1 ALA A 183 42.362 8.676 55.082 1.00 12.79 H new ATOM 0 HB2 ALA A 183 40.862 9.183 55.043 1.00 12.79 H new ATOM 0 HB3 ALA A 183 42.045 10.187 54.728 1.00 12.79 H new ATOM 2436 N GLY A 184A 44.071 9.485 57.426 1.00 11.02 N ATOM 2437 CA GLY A 184A 45.412 10.012 57.716 1.00 18.99 C ATOM 2438 C GLY A 184A 45.972 9.314 58.922 1.00 20.60 C ATOM 2439 O GLY A 184A 45.515 8.238 59.289 1.00 23.90 O ATOM 0 H GLY A 184A 43.950 8.645 57.566 1.00 11.02 H new ATOM 0 HA2 GLY A 184A 45.995 9.878 56.953 1.00 18.99 H new ATOM 0 HA3 GLY A 184A 45.367 10.968 57.875 1.00 18.99 H new ATOM 2443 N TYR A 184 46.963 9.992 59.451 1.00 25.50 N ATOM 2444 CA TYR A 184 47.737 9.578 60.638 1.00 25.34 C ATOM 2445 C TYR A 184 47.723 10.753 61.605 1.00 27.24 C ATOM 2446 O TYR A 184 48.069 11.872 61.250 1.00 30.44 O ATOM 2447 CB TYR A 184 49.184 9.218 60.151 1.00 28.07 C ATOM 2448 CG TYR A 184 49.057 8.040 59.181 1.00 30.51 C ATOM 2449 CD1 TYR A 184 48.892 8.242 57.822 1.00 28.57 C ATOM 2450 CD2 TYR A 184 49.095 6.758 59.672 1.00 30.04 C ATOM 2451 CE1 TYR A 184 48.766 7.169 56.981 1.00 29.00 C ATOM 2452 CE2 TYR A 184 48.967 5.697 58.826 1.00 28.35 C ATOM 2453 CZ TYR A 184 48.802 5.887 57.483 1.00 30.35 C ATOM 2454 OH TYR A 184 48.689 4.775 56.671 1.00 31.52 O ATOM 0 H TYR A 184 47.229 10.743 59.126 1.00 25.50 H new ATOM 0 HA TYR A 184 47.370 8.802 61.090 1.00 25.34 H new ATOM 0 HB2 TYR A 184 49.597 9.979 59.713 1.00 28.07 H new ATOM 0 HB3 TYR A 184 49.749 8.982 60.903 1.00 28.07 H new ATOM 0 HD1 TYR A 184 48.867 9.106 57.480 1.00 28.57 H new ATOM 0 HD2 TYR A 184 49.208 6.613 60.584 1.00 30.04 H new ATOM 0 HE1 TYR A 184 48.656 7.306 56.068 1.00 29.00 H new ATOM 0 HE2 TYR A 184 48.992 4.832 59.167 1.00 28.35 H new ATOM 0 HH TYR A 184 48.765 5.006 55.867 1.00 31.52 H new ATOM 2464 N LEU A 185 47.332 10.442 62.807 1.00 27.14 N ATOM 2465 CA LEU A 185 47.250 11.470 63.900 1.00 27.77 C ATOM 2466 C LEU A 185 48.631 11.782 64.389 1.00 27.84 C ATOM 2467 O LEU A 185 48.876 12.839 64.921 1.00 28.00 O ATOM 2468 CB LEU A 185 46.398 10.943 65.055 1.00 24.97 C ATOM 2469 CG LEU A 185 44.922 10.708 64.594 1.00 28.27 C ATOM 2470 CD1 LEU A 185 44.111 10.216 65.768 1.00 30.69 C ATOM 2471 CD2 LEU A 185 44.251 12.001 64.056 1.00 28.22 C ATOM 0 H LEU A 185 47.101 9.649 63.047 1.00 27.14 H new ATOM 0 HA LEU A 185 46.838 12.276 63.552 1.00 27.77 H new ATOM 0 HB2 LEU A 185 46.774 10.113 65.387 1.00 24.97 H new ATOM 0 HB3 LEU A 185 46.415 11.576 65.790 1.00 24.97 H new ATOM 0 HG LEU A 185 44.947 10.057 63.875 1.00 28.27 H new ATOM 0 HD11 LEU A 185 43.194 10.068 65.489 1.00 30.69 H new ATOM 0 HD12 LEU A 185 44.487 9.384 66.095 1.00 30.69 H new ATOM 0 HD13 LEU A 185 44.130 10.879 66.475 1.00 30.69 H new ATOM 0 HD21 LEU A 185 43.341 11.804 63.784 1.00 28.22 H new ATOM 0 HD22 LEU A 185 44.241 12.675 64.754 1.00 28.22 H new ATOM 0 HD23 LEU A 185 44.751 12.332 63.294 1.00 28.22 H new ATOM 2483 N GLU A 186 49.524 10.862 64.214 1.00 30.67 N ATOM 2484 CA GLU A 186 50.899 11.173 64.683 1.00 34.09 C ATOM 2485 C GLU A 186 51.441 12.298 63.758 1.00 33.03 C ATOM 2486 O GLU A 186 52.231 13.109 64.198 1.00 34.16 O ATOM 2487 CB GLU A 186 51.833 9.907 64.611 1.00 35.63 C ATOM 2488 CG GLU A 186 51.554 8.920 63.432 1.00 37.75 C ATOM 2489 CD GLU A 186 50.346 7.987 63.778 0.19 37.48 C ATOM 2490 OE1 GLU A 186 50.476 7.261 64.754 0.19 37.46 O ATOM 2491 OE2 GLU A 186 49.357 8.034 63.065 0.19 37.94 O ATOM 0 H GLU A 186 49.402 10.091 63.854 1.00 30.67 H new ATOM 0 HA GLU A 186 50.883 11.454 65.611 1.00 34.09 H new ATOM 0 HB2 GLU A 186 52.753 10.208 64.547 1.00 35.63 H new ATOM 0 HB3 GLU A 186 51.752 9.419 65.445 1.00 35.63 H new ATOM 0 HG2 GLU A 186 51.364 9.419 62.622 1.00 37.75 H new ATOM 0 HG3 GLU A 186 52.344 8.385 63.256 1.00 37.75 H new ATOM 2498 N GLY A 187 51.000 12.301 62.520 1.00 35.44 N ATOM 2499 CA GLY A 187 51.441 13.331 61.528 1.00 33.66 C ATOM 2500 C GLY A 187 52.396 12.679 60.537 1.00 32.39 C ATOM 2501 O GLY A 187 52.469 11.465 60.488 1.00 28.56 O ATOM 0 H GLY A 187 50.443 11.725 62.208 1.00 35.44 H new ATOM 0 HA2 GLY A 187 50.674 13.700 61.063 1.00 33.66 H new ATOM 0 HA3 GLY A 187 51.879 14.068 61.981 1.00 33.66 H new ATOM 2505 N GLY A 188A 53.077 13.486 59.761 1.00 32.98 N ATOM 2506 CA GLY A 188A 54.046 12.928 58.773 1.00 34.04 C ATOM 2507 C GLY A 188A 53.492 12.565 57.410 1.00 31.25 C ATOM 2508 O GLY A 188A 54.120 12.780 56.389 1.00 28.47 O ATOM 0 H GLY A 188A 53.015 14.344 59.769 1.00 32.98 H new ATOM 0 HA2 GLY A 188A 54.758 13.575 58.648 1.00 34.04 H new ATOM 0 HA3 GLY A 188A 54.448 12.134 59.158 1.00 34.04 H new ATOM 2512 N LYS A 188 52.324 12.009 57.440 1.00 29.52 N ATOM 2513 CA LYS A 188 51.689 11.594 56.182 1.00 29.07 C ATOM 2514 C LYS A 188 50.339 12.245 55.993 1.00 26.13 C ATOM 2515 O LYS A 188 49.541 12.116 56.904 1.00 27.17 O ATOM 2516 CB LYS A 188 51.601 10.073 56.262 1.00 29.90 C ATOM 2517 CG LYS A 188 53.022 9.433 56.200 1.00 28.56 C ATOM 2518 CD LYS A 188 52.967 7.973 56.727 1.00 29.45 C ATOM 2519 CE LYS A 188 53.800 7.823 58.043 0.34 29.66 C ATOM 2520 NZ LYS A 188 53.184 8.573 59.186 0.34 30.77 N ATOM 0 H LYS A 188 51.868 11.854 58.153 1.00 29.52 H new ATOM 0 HA LYS A 188 52.202 11.874 55.408 1.00 29.07 H new ATOM 0 HB2 LYS A 188 51.160 9.813 57.086 1.00 29.90 H new ATOM 0 HB3 LYS A 188 51.058 9.737 55.532 1.00 29.90 H new ATOM 0 HG2 LYS A 188 53.351 9.444 55.288 1.00 28.56 H new ATOM 0 HG3 LYS A 188 53.644 9.954 56.732 1.00 28.56 H new ATOM 0 HD2 LYS A 188 52.045 7.719 56.892 1.00 29.45 H new ATOM 0 HD3 LYS A 188 53.311 7.368 56.051 1.00 29.45 H new ATOM 0 HE2 LYS A 188 53.871 6.884 58.274 0.34 29.66 H new ATOM 0 HE3 LYS A 188 54.702 8.147 57.893 0.34 29.66 H new ATOM 0 HZ1 LYS A 188 53.683 8.465 59.915 0.34 30.77 H new ATOM 0 HZ2 LYS A 188 53.138 9.438 58.983 0.34 30.77 H new ATOM 0 HZ3 LYS A 188 52.365 8.261 59.339 0.34 30.77 H new ATOM 2534 N ASP A 189 50.115 12.901 54.868 1.00 22.36 N ATOM 2535 CA ASP A 189 48.803 13.589 54.564 1.00 18.90 C ATOM 2536 C ASP A 189 48.700 14.041 53.066 1.00 21.04 C ATOM 2537 O ASP A 189 49.672 13.993 52.322 1.00 19.79 O ATOM 2538 CB ASP A 189 48.733 14.834 55.457 1.00 17.94 C ATOM 2539 CG ASP A 189 47.378 15.592 55.474 1.00 22.14 C ATOM 2540 OD1 ASP A 189 47.422 16.684 56.018 1.00 24.21 O ATOM 2541 OD2 ASP A 189 46.379 15.093 54.972 1.00 20.66 O ATOM 0 H ASP A 189 50.700 12.977 54.242 1.00 22.36 H new ATOM 0 HA ASP A 189 48.076 12.969 54.729 1.00 18.90 H new ATOM 0 HB2 ASP A 189 48.945 14.569 56.366 1.00 17.94 H new ATOM 0 HB3 ASP A 189 49.424 15.452 55.173 1.00 17.94 H new ATOM 2546 N SER A 190 47.538 14.469 52.622 1.00 21.47 N ATOM 2547 CA SER A 190 47.421 14.957 51.215 1.00 21.24 C ATOM 2548 C SER A 190 47.764 16.440 51.507 1.00 19.94 C ATOM 2549 O SER A 190 47.900 16.832 52.669 1.00 21.24 O ATOM 2550 CB SER A 190 45.980 14.808 50.679 1.00 18.09 C ATOM 2551 OG SER A 190 45.100 15.410 51.618 1.00 18.30 O ATOM 0 H SER A 190 46.813 14.495 53.083 1.00 21.47 H new ATOM 0 HA SER A 190 47.960 14.503 50.548 1.00 21.24 H new ATOM 0 HB2 SER A 190 45.895 15.234 49.812 1.00 18.09 H new ATOM 0 HB3 SER A 190 45.758 13.872 50.558 1.00 18.09 H new ATOM 0 HG SER A 190 44.706 14.812 52.057 1.00 18.30 H new ATOM 2557 N CYS A 191 47.902 17.264 50.516 1.00 21.01 N ATOM 2558 CA CYS A 191 48.240 18.679 50.818 1.00 20.67 C ATOM 2559 C CYS A 191 47.782 19.514 49.618 1.00 25.69 C ATOM 2560 O CYS A 191 47.257 18.961 48.657 1.00 21.85 O ATOM 2561 CB CYS A 191 49.774 18.752 51.047 1.00 18.86 C ATOM 2562 SG CYS A 191 50.432 20.262 51.772 1.00 21.61 S ATOM 0 H CYS A 191 47.815 17.066 49.684 1.00 21.01 H new ATOM 0 HA CYS A 191 47.802 19.021 51.613 1.00 20.67 H new ATOM 0 HB2 CYS A 191 50.027 18.010 51.618 1.00 18.86 H new ATOM 0 HB3 CYS A 191 50.212 18.614 50.192 1.00 18.86 H new ATOM 2567 N GLN A 192 47.988 20.801 49.702 1.00 25.63 N ATOM 2568 CA GLN A 192 47.593 21.737 48.598 1.00 27.74 C ATOM 2569 C GLN A 192 48.169 21.233 47.275 1.00 22.61 C ATOM 2570 O GLN A 192 49.342 20.923 47.189 1.00 20.72 O ATOM 2571 CB GLN A 192 48.116 23.168 48.923 1.00 34.48 C ATOM 2572 CG GLN A 192 49.504 23.158 49.653 1.00 41.23 C ATOM 2573 CD GLN A 192 49.807 24.607 50.025 1.00 48.62 C ATOM 2574 OE1 GLN A 192 48.984 25.269 50.635 1.00 53.26 O ATOM 2575 NE2 GLN A 192 50.937 25.163 49.696 1.00 52.75 N ATOM 0 H GLN A 192 48.354 21.185 50.379 1.00 25.63 H new ATOM 0 HA GLN A 192 46.627 21.772 48.520 1.00 27.74 H new ATOM 0 HB2 GLN A 192 48.192 23.674 48.099 1.00 34.48 H new ATOM 0 HB3 GLN A 192 47.467 23.627 49.479 1.00 34.48 H new ATOM 0 HG2 GLN A 192 49.474 22.597 50.444 1.00 41.23 H new ATOM 0 HG3 GLN A 192 50.195 22.798 49.076 1.00 41.23 H new ATOM 0 HE21 GLN A 192 51.529 24.712 49.266 1.00 52.75 H new ATOM 0 HE22 GLN A 192 51.091 25.982 49.909 1.00 52.75 H new ATOM 2584 N GLY A 193 47.326 21.153 46.279 1.00 19.89 N ATOM 2585 CA GLY A 193 47.811 20.675 44.962 1.00 20.39 C ATOM 2586 C GLY A 193 47.250 19.311 44.727 1.00 19.50 C ATOM 2587 O GLY A 193 47.084 18.864 43.614 1.00 14.67 O ATOM 0 H GLY A 193 46.492 21.358 46.317 1.00 19.89 H new ATOM 0 HA2 GLY A 193 47.532 21.282 44.258 1.00 20.39 H new ATOM 0 HA3 GLY A 193 48.781 20.649 44.947 1.00 20.39 H new ATOM 2591 N ASP A 194 46.971 18.648 45.805 1.00 14.56 N ATOM 2592 CA ASP A 194 46.404 17.279 45.700 1.00 15.14 C ATOM 2593 C ASP A 194 44.867 17.410 45.590 1.00 17.80 C ATOM 2594 O ASP A 194 44.149 16.494 45.224 1.00 15.75 O ATOM 2595 CB ASP A 194 46.790 16.496 46.974 1.00 14.18 C ATOM 2596 CG ASP A 194 48.290 16.167 47.047 1.00 15.91 C ATOM 2597 OD1 ASP A 194 48.874 16.211 48.110 1.00 13.02 O ATOM 2598 OD2 ASP A 194 48.807 15.858 45.999 1.00 18.70 O ATOM 0 H ASP A 194 47.088 18.938 46.606 1.00 14.56 H new ATOM 0 HA ASP A 194 46.745 16.809 44.923 1.00 15.14 H new ATOM 0 HB2 ASP A 194 46.540 17.015 47.754 1.00 14.18 H new ATOM 0 HB3 ASP A 194 46.281 15.671 47.007 1.00 14.18 H new ATOM 2603 N SER A 195 44.462 18.601 45.939 1.00 18.56 N ATOM 2604 CA SER A 195 43.030 19.090 45.951 1.00 16.70 C ATOM 2605 C SER A 195 42.171 18.538 44.864 1.00 11.73 C ATOM 2606 O SER A 195 42.610 18.622 43.747 1.00 11.10 O ATOM 2607 CB SER A 195 42.986 20.562 45.765 1.00 21.13 C ATOM 2608 OG SER A 195 44.069 20.972 46.584 1.00 23.50 O ATOM 0 H SER A 195 45.015 19.208 46.196 1.00 18.56 H new ATOM 0 HA SER A 195 42.691 18.793 46.810 1.00 16.70 H new ATOM 0 HB2 SER A 195 43.110 20.818 44.838 1.00 21.13 H new ATOM 0 HB3 SER A 195 42.142 20.943 46.055 1.00 21.13 H new ATOM 0 HG SER A 195 44.142 21.808 46.554 1.00 23.50 H new ATOM 2613 N GLY A 196 41.035 17.997 45.155 1.00 10.70 N ATOM 2614 CA GLY A 196 40.220 17.473 44.030 1.00 7.78 C ATOM 2615 C GLY A 196 40.607 16.061 43.665 1.00 9.92 C ATOM 2616 O GLY A 196 39.832 15.369 43.030 1.00 13.09 O ATOM 0 H GLY A 196 40.701 17.910 45.943 1.00 10.70 H new ATOM 0 HA2 GLY A 196 39.281 17.498 44.272 1.00 7.78 H new ATOM 0 HA3 GLY A 196 40.329 18.048 43.257 1.00 7.78 H new ATOM 2620 N GLY A 197 41.784 15.684 44.076 1.00 10.01 N ATOM 2621 CA GLY A 197 42.321 14.332 43.795 1.00 16.38 C ATOM 2622 C GLY A 197 41.504 13.227 44.405 1.00 13.29 C ATOM 2623 O GLY A 197 40.746 13.513 45.301 1.00 17.55 O ATOM 0 H GLY A 197 42.315 16.187 44.529 1.00 10.01 H new ATOM 0 HA2 GLY A 197 42.364 14.201 42.835 1.00 16.38 H new ATOM 0 HA3 GLY A 197 43.230 14.276 44.130 1.00 16.38 H new ATOM 2627 N PRO A 198 41.696 12.024 43.917 1.00 13.24 N ATOM 2628 CA PRO A 198 41.053 10.781 44.390 1.00 11.80 C ATOM 2629 C PRO A 198 41.560 10.108 45.694 1.00 14.79 C ATOM 2630 O PRO A 198 42.715 10.228 46.050 1.00 10.59 O ATOM 2631 CB PRO A 198 41.213 9.770 43.248 1.00 9.27 C ATOM 2632 CG PRO A 198 42.546 10.168 42.612 1.00 12.04 C ATOM 2633 CD PRO A 198 42.581 11.727 42.745 1.00 11.44 C ATOM 0 HA PRO A 198 40.149 11.043 44.625 1.00 11.80 H new ATOM 0 HB2 PRO A 198 41.231 8.858 43.577 1.00 9.27 H new ATOM 0 HB3 PRO A 198 40.482 9.828 42.613 1.00 9.27 H new ATOM 0 HG2 PRO A 198 43.295 9.756 43.070 1.00 12.04 H new ATOM 0 HG3 PRO A 198 42.593 9.890 41.684 1.00 12.04 H new ATOM 0 HD2 PRO A 198 43.484 12.049 42.894 1.00 11.44 H new ATOM 0 HD3 PRO A 198 42.256 12.158 41.939 1.00 11.44 H new ATOM 2641 N VAL A 199 40.631 9.419 46.326 1.00 17.16 N ATOM 2642 CA VAL A 199 40.870 8.648 47.589 1.00 17.37 C ATOM 2643 C VAL A 199 40.100 7.401 47.126 1.00 16.38 C ATOM 2644 O VAL A 199 38.885 7.410 47.025 1.00 16.16 O ATOM 2645 CB VAL A 199 40.190 9.243 48.837 1.00 15.93 C ATOM 2646 CG1 VAL A 199 40.518 8.320 50.007 1.00 17.35 C ATOM 2647 CG2 VAL A 199 40.806 10.608 49.168 1.00 17.41 C ATOM 0 H VAL A 199 39.819 9.370 46.047 1.00 17.16 H new ATOM 0 HA VAL A 199 41.796 8.573 47.869 1.00 17.37 H new ATOM 0 HB VAL A 199 39.237 9.334 48.682 1.00 15.93 H new ATOM 0 HG11 VAL A 199 40.105 8.663 50.815 1.00 17.35 H new ATOM 0 HG12 VAL A 199 40.178 7.430 49.823 1.00 17.35 H new ATOM 0 HG13 VAL A 199 41.480 8.279 50.128 1.00 17.35 H new ATOM 0 HG21 VAL A 199 40.373 10.976 49.954 1.00 17.41 H new ATOM 0 HG22 VAL A 199 41.754 10.502 49.341 1.00 17.41 H new ATOM 0 HG23 VAL A 199 40.680 11.210 48.418 1.00 17.41 H new ATOM 2657 N VAL A 200 40.816 6.369 46.835 1.00 16.02 N ATOM 2658 CA VAL A 200 40.172 5.125 46.370 1.00 14.90 C ATOM 2659 C VAL A 200 40.390 4.077 47.450 1.00 16.29 C ATOM 2660 O VAL A 200 41.510 3.924 47.910 1.00 17.88 O ATOM 2661 CB VAL A 200 40.844 4.822 44.960 1.00 17.25 C ATOM 2662 CG1 VAL A 200 40.405 3.485 44.314 1.00 17.42 C ATOM 2663 CG2 VAL A 200 40.460 5.964 44.011 1.00 14.30 C ATOM 0 H VAL A 200 41.674 6.337 46.889 1.00 16.02 H new ATOM 0 HA VAL A 200 39.212 5.160 46.237 1.00 14.90 H new ATOM 0 HB VAL A 200 41.800 4.750 45.110 1.00 17.25 H new ATOM 0 HG11 VAL A 200 40.856 3.374 43.462 1.00 17.42 H new ATOM 0 HG12 VAL A 200 40.639 2.749 44.902 1.00 17.42 H new ATOM 0 HG13 VAL A 200 39.445 3.493 44.173 1.00 17.42 H new ATOM 0 HG21 VAL A 200 40.856 5.808 43.139 1.00 14.30 H new ATOM 0 HG22 VAL A 200 39.495 6.003 43.925 1.00 14.30 H new ATOM 0 HG23 VAL A 200 40.786 6.805 44.368 1.00 14.30 H new ATOM 2673 N CYS A 201 39.312 3.408 47.792 1.00 16.98 N ATOM 2674 CA CYS A 201 39.361 2.348 48.848 1.00 19.19 C ATOM 2675 C CYS A 201 38.653 1.213 48.185 1.00 21.38 C ATOM 2676 O CYS A 201 37.569 1.419 47.677 1.00 24.60 O ATOM 2677 CB CYS A 201 38.616 2.833 50.052 1.00 22.60 C ATOM 2678 SG CYS A 201 38.864 4.590 50.442 1.00 21.69 S ATOM 0 H CYS A 201 38.536 3.531 47.443 1.00 16.98 H new ATOM 0 HA CYS A 201 40.250 2.107 49.153 1.00 19.19 H new ATOM 0 HB2 CYS A 201 37.669 2.675 49.916 1.00 22.60 H new ATOM 0 HB3 CYS A 201 38.885 2.303 50.819 1.00 22.60 H new ATOM 2683 N SER A 202 39.245 0.071 48.191 1.00 23.29 N ATOM 2684 CA SER A 202 38.651 -1.140 47.551 1.00 26.45 C ATOM 2685 C SER A 202 38.085 -1.005 46.098 1.00 25.92 C ATOM 2686 O SER A 202 37.041 -1.535 45.766 1.00 25.75 O ATOM 2687 CB SER A 202 37.571 -1.626 48.511 1.00 29.69 C ATOM 2688 OG SER A 202 38.271 -1.799 49.750 1.00 30.02 O ATOM 0 H SER A 202 40.010 -0.066 48.559 1.00 23.29 H new ATOM 0 HA SER A 202 39.378 -1.766 47.410 1.00 26.45 H new ATOM 0 HB2 SER A 202 36.852 -0.980 48.595 1.00 29.69 H new ATOM 0 HB3 SER A 202 37.172 -2.457 48.208 1.00 29.69 H new ATOM 0 HG SER A 202 37.736 -2.068 50.339 1.00 30.02 H new ATOM 2694 N GLY A 203 38.777 -0.289 45.251 1.00 23.22 N ATOM 2695 CA GLY A 203 38.317 -0.120 43.839 1.00 23.28 C ATOM 2696 C GLY A 203 37.262 0.970 43.642 1.00 22.46 C ATOM 2697 O GLY A 203 36.772 1.149 42.545 1.00 22.56 O ATOM 0 H GLY A 203 39.512 0.115 45.442 1.00 23.22 H new ATOM 0 HA2 GLY A 203 39.085 0.085 43.283 1.00 23.28 H new ATOM 0 HA3 GLY A 203 37.956 -0.964 43.525 1.00 23.28 H new ATOM 2701 N LYS A 204 36.915 1.702 44.667 1.00 18.36 N ATOM 2702 CA LYS A 204 35.876 2.752 44.467 1.00 17.65 C ATOM 2703 C LYS A 204 36.451 4.051 44.895 1.00 13.69 C ATOM 2704 O LYS A 204 37.316 4.067 45.746 1.00 11.33 O ATOM 2705 CB LYS A 204 34.656 2.477 45.342 1.00 22.17 C ATOM 2706 CG LYS A 204 34.281 1.010 45.283 1.00 27.96 C ATOM 2707 CD LYS A 204 33.771 0.682 43.882 1.00 33.09 C ATOM 2708 CE LYS A 204 33.661 -0.831 43.743 1.00 39.45 C ATOM 2709 NZ LYS A 204 32.837 -1.145 42.528 1.00 42.69 N ATOM 0 H LYS A 204 37.235 1.635 45.462 1.00 18.36 H new ATOM 0 HA LYS A 204 35.609 2.760 43.535 1.00 17.65 H new ATOM 0 HB2 LYS A 204 34.845 2.732 46.259 1.00 22.17 H new ATOM 0 HB3 LYS A 204 33.909 3.020 45.045 1.00 22.17 H new ATOM 0 HG2 LYS A 204 35.050 0.459 45.497 1.00 27.96 H new ATOM 0 HG3 LYS A 204 33.598 0.812 45.943 1.00 27.96 H new ATOM 0 HD2 LYS A 204 32.907 1.097 43.733 1.00 33.09 H new ATOM 0 HD3 LYS A 204 34.376 1.038 43.212 1.00 33.09 H new ATOM 0 HE2 LYS A 204 34.543 -1.226 43.662 1.00 39.45 H new ATOM 0 HE3 LYS A 204 33.251 -1.212 44.535 1.00 39.45 H new ATOM 0 HZ1 LYS A 204 32.766 -2.028 42.437 1.00 42.69 H new ATOM 0 HZ2 LYS A 204 32.026 -0.790 42.619 1.00 42.69 H new ATOM 0 HZ3 LYS A 204 33.230 -0.803 41.806 1.00 42.69 H new ATOM 2723 N LEU A 209 35.932 5.075 44.299 1.00 14.75 N ATOM 2724 CA LEU A 209 36.369 6.460 44.598 1.00 14.54 C ATOM 2725 C LEU A 209 35.477 6.786 45.782 1.00 13.61 C ATOM 2726 O LEU A 209 34.278 6.907 45.609 1.00 17.63 O ATOM 2727 CB LEU A 209 36.045 7.358 43.408 1.00 12.88 C ATOM 2728 CG LEU A 209 36.410 8.815 43.646 1.00 12.49 C ATOM 2729 CD1 LEU A 209 37.920 8.984 43.763 1.00 8.89 C ATOM 2730 CD2 LEU A 209 35.880 9.630 42.444 1.00 12.49 C ATOM 0 H LEU A 209 35.314 5.020 43.704 1.00 14.75 H new ATOM 0 HA LEU A 209 37.316 6.573 44.772 1.00 14.54 H new ATOM 0 HB2 LEU A 209 36.520 7.034 42.626 1.00 12.88 H new ATOM 0 HB3 LEU A 209 35.097 7.295 43.210 1.00 12.88 H new ATOM 0 HG LEU A 209 36.015 9.125 44.476 1.00 12.49 H new ATOM 0 HD11 LEU A 209 38.130 9.919 43.914 1.00 8.89 H new ATOM 0 HD12 LEU A 209 38.248 8.455 44.507 1.00 8.89 H new ATOM 0 HD13 LEU A 209 38.344 8.686 42.943 1.00 8.89 H new ATOM 0 HD21 LEU A 209 36.098 10.567 42.567 1.00 12.49 H new ATOM 0 HD22 LEU A 209 36.291 9.307 41.627 1.00 12.49 H new ATOM 0 HD23 LEU A 209 34.917 9.528 42.383 1.00 12.49 H new ATOM 2742 N GLN A 210 36.073 6.905 46.935 1.00 13.61 N ATOM 2743 CA GLN A 210 35.337 7.219 48.185 1.00 14.40 C ATOM 2744 C GLN A 210 35.576 8.636 48.628 1.00 15.39 C ATOM 2745 O GLN A 210 34.772 9.133 49.387 1.00 12.38 O ATOM 2746 CB GLN A 210 35.787 6.191 49.316 1.00 15.91 C ATOM 2747 CG GLN A 210 35.396 4.690 48.994 1.00 15.06 C ATOM 2748 CD GLN A 210 33.929 4.335 49.196 1.00 15.45 C ATOM 2749 OE1 GLN A 210 33.514 3.228 48.928 1.00 16.67 O ATOM 2750 NE2 GLN A 210 33.081 5.188 49.662 1.00 16.22 N ATOM 0 H GLN A 210 36.921 6.810 47.043 1.00 13.61 H new ATOM 0 HA GLN A 210 34.385 7.132 48.020 1.00 14.40 H new ATOM 0 HB2 GLN A 210 36.748 6.250 49.433 1.00 15.91 H new ATOM 0 HB3 GLN A 210 35.382 6.450 50.159 1.00 15.91 H new ATOM 0 HG2 GLN A 210 35.634 4.501 48.073 1.00 15.06 H new ATOM 0 HG3 GLN A 210 35.933 4.106 49.552 1.00 15.06 H new ATOM 0 HE21 GLN A 210 33.338 5.984 49.864 1.00 16.22 H new ATOM 0 HE22 GLN A 210 32.259 4.961 49.771 1.00 16.22 H new ATOM 2759 N GLY A 211 36.618 9.277 48.207 1.00 18.22 N ATOM 2760 CA GLY A 211 36.819 10.685 48.681 1.00 19.06 C ATOM 2761 C GLY A 211 37.485 11.564 47.658 1.00 15.21 C ATOM 2762 O GLY A 211 37.947 11.066 46.654 1.00 13.71 O ATOM 0 H GLY A 211 37.217 8.968 47.672 1.00 18.22 H new ATOM 0 HA2 GLY A 211 35.959 11.067 48.917 1.00 19.06 H new ATOM 0 HA3 GLY A 211 37.356 10.675 49.489 1.00 19.06 H new ATOM 2766 N ILE A 212 37.506 12.835 47.949 1.00 15.78 N ATOM 2767 CA ILE A 212 38.126 13.849 47.060 1.00 14.02 C ATOM 2768 C ILE A 212 38.939 14.633 48.074 1.00 15.42 C ATOM 2769 O ILE A 212 38.419 14.874 49.145 1.00 7.71 O ATOM 2770 CB ILE A 212 36.997 14.717 46.396 1.00 16.46 C ATOM 2771 CG1 ILE A 212 36.115 13.801 45.495 1.00 14.42 C ATOM 2772 CG2 ILE A 212 37.610 15.834 45.544 1.00 15.00 C ATOM 2773 CD1 ILE A 212 35.006 14.631 44.910 1.00 14.24 C ATOM 0 H ILE A 212 37.165 13.162 48.667 1.00 15.78 H new ATOM 0 HA ILE A 212 38.653 13.511 46.319 1.00 14.02 H new ATOM 0 HB ILE A 212 36.456 15.120 47.093 1.00 16.46 H new ATOM 0 HG12 ILE A 212 36.650 13.408 44.788 1.00 14.42 H new ATOM 0 HG13 ILE A 212 35.749 13.068 46.015 1.00 14.42 H new ATOM 0 HG21 ILE A 212 36.901 16.360 45.141 1.00 15.00 H new ATOM 0 HG22 ILE A 212 38.158 16.405 46.105 1.00 15.00 H new ATOM 0 HG23 ILE A 212 38.159 15.444 44.846 1.00 15.00 H new ATOM 0 HD11 ILE A 212 34.448 14.074 44.346 1.00 14.24 H new ATOM 0 HD12 ILE A 212 34.470 15.006 45.626 1.00 14.24 H new ATOM 0 HD13 ILE A 212 35.385 15.350 44.380 1.00 14.24 H new ATOM 2785 N VAL A 213 40.140 15.013 47.756 1.00 12.82 N ATOM 2786 CA VAL A 213 40.979 15.782 48.700 1.00 10.54 C ATOM 2787 C VAL A 213 40.280 17.119 48.860 1.00 13.43 C ATOM 2788 O VAL A 213 40.138 17.820 47.874 1.00 15.65 O ATOM 2789 CB VAL A 213 42.406 15.935 48.097 1.00 9.84 C ATOM 2790 CG1 VAL A 213 43.328 16.693 49.043 1.00 10.82 C ATOM 2791 CG2 VAL A 213 43.045 14.555 47.878 1.00 11.36 C ATOM 0 H VAL A 213 40.514 14.847 46.999 1.00 12.82 H new ATOM 0 HA VAL A 213 41.083 15.351 49.563 1.00 10.54 H new ATOM 0 HB VAL A 213 42.305 16.416 47.261 1.00 9.84 H new ATOM 0 HG11 VAL A 213 44.208 16.773 48.643 1.00 10.82 H new ATOM 0 HG12 VAL A 213 42.966 17.578 49.208 1.00 10.82 H new ATOM 0 HG13 VAL A 213 43.398 16.211 49.882 1.00 10.82 H new ATOM 0 HG21 VAL A 213 43.933 14.665 47.502 1.00 11.36 H new ATOM 0 HG22 VAL A 213 43.109 14.089 48.727 1.00 11.36 H new ATOM 0 HG23 VAL A 213 42.498 14.038 47.267 1.00 11.36 H new ATOM 2801 N SER A 214 39.904 17.438 50.071 1.00 13.83 N ATOM 2802 CA SER A 214 39.205 18.705 50.345 1.00 12.25 C ATOM 2803 C SER A 214 40.033 19.678 51.213 1.00 12.95 C ATOM 2804 O SER A 214 40.460 20.727 50.741 1.00 17.69 O ATOM 2805 CB SER A 214 37.910 18.269 50.971 1.00 11.43 C ATOM 2806 OG SER A 214 37.072 19.390 51.108 1.00 10.28 O ATOM 0 H SER A 214 40.036 16.945 50.763 1.00 13.83 H new ATOM 0 HA SER A 214 39.054 19.231 49.544 1.00 12.25 H new ATOM 0 HB2 SER A 214 37.481 17.595 50.421 1.00 11.43 H new ATOM 0 HB3 SER A 214 38.075 17.865 51.837 1.00 11.43 H new ATOM 0 HG SER A 214 36.756 19.597 50.358 1.00 10.28 H new ATOM 2812 N TRP A 215 40.252 19.350 52.450 1.00 18.44 N ATOM 2813 CA TRP A 215 41.058 20.298 53.284 1.00 18.01 C ATOM 2814 C TRP A 215 41.762 19.635 54.443 1.00 19.17 C ATOM 2815 O TRP A 215 41.859 18.432 54.525 1.00 15.41 O ATOM 2816 CB TRP A 215 40.131 21.434 53.804 1.00 17.04 C ATOM 2817 CG TRP A 215 38.906 20.996 54.619 1.00 19.14 C ATOM 2818 CD1 TRP A 215 37.763 20.474 54.095 1.00 18.66 C ATOM 2819 CD2 TRP A 215 38.764 21.079 55.977 1.00 18.51 C ATOM 2820 NE1 TRP A 215 36.992 20.266 55.149 1.00 21.56 N ATOM 2821 CE2 TRP A 215 37.502 20.597 56.326 1.00 17.96 C ATOM 2822 CE3 TRP A 215 39.615 21.527 56.981 1.00 17.98 C ATOM 2823 CZ2 TRP A 215 37.100 20.558 57.634 1.00 17.26 C ATOM 2824 CZ3 TRP A 215 39.196 21.482 58.306 1.00 18.61 C ATOM 2825 CH2 TRP A 215 37.939 20.998 58.628 1.00 18.36 C ATOM 0 H TRP A 215 39.977 18.635 52.841 1.00 18.44 H new ATOM 0 HA TRP A 215 41.756 20.656 52.714 1.00 18.01 H new ATOM 0 HB2 TRP A 215 40.662 22.033 54.352 1.00 17.04 H new ATOM 0 HB3 TRP A 215 39.821 21.947 53.041 1.00 17.04 H new ATOM 0 HD1 TRP A 215 37.569 20.303 53.202 1.00 18.66 H new ATOM 0 HE1 TRP A 215 36.202 19.934 55.074 1.00 21.56 H new ATOM 0 HE3 TRP A 215 40.459 21.855 56.768 1.00 17.98 H new ATOM 0 HZ2 TRP A 215 36.256 20.232 57.850 1.00 17.26 H new ATOM 0 HZ3 TRP A 215 39.763 21.779 58.980 1.00 18.61 H new ATOM 0 HH2 TRP A 215 37.664 20.971 59.516 1.00 18.36 H new ATOM 2836 N GLY A 216 42.274 20.427 55.319 1.00 24.44 N ATOM 2837 CA GLY A 216 42.993 19.897 56.527 1.00 24.74 C ATOM 2838 C GLY A 216 43.535 21.138 57.241 1.00 26.39 C ATOM 2839 O GLY A 216 43.089 22.239 56.954 1.00 24.78 O ATOM 0 H GLY A 216 42.239 21.285 55.272 1.00 24.44 H new ATOM 0 HA2 GLY A 216 42.393 19.395 57.101 1.00 24.74 H new ATOM 0 HA3 GLY A 216 43.711 19.296 56.273 1.00 24.74 H new ATOM 2843 N SER A 217 44.458 20.971 58.142 1.00 29.08 N ATOM 2844 CA SER A 217 45.048 22.143 58.884 1.00 28.18 C ATOM 2845 C SER A 217 46.496 22.026 58.459 1.00 28.32 C ATOM 2846 O SER A 217 47.170 21.126 58.942 1.00 33.27 O ATOM 2847 CB SER A 217 44.960 21.967 60.368 1.00 25.82 C ATOM 2848 OG SER A 217 45.241 23.286 60.820 1.00 30.34 O ATOM 0 H SER A 217 44.781 20.206 58.366 1.00 29.08 H new ATOM 0 HA SER A 217 44.609 22.987 58.695 1.00 28.18 H new ATOM 0 HB2 SER A 217 44.083 21.663 60.649 1.00 25.82 H new ATOM 0 HB3 SER A 217 45.604 21.322 60.699 1.00 25.82 H new ATOM 0 HG SER A 217 45.216 23.306 61.659 1.00 30.34 H new ATOM 2854 N GLY A 219 46.936 22.891 57.579 1.00 28.07 N ATOM 2855 CA GLY A 219 48.352 22.799 57.143 1.00 27.65 C ATOM 2856 C GLY A 219 48.425 21.399 56.563 1.00 27.64 C ATOM 2857 O GLY A 219 47.421 20.887 56.081 1.00 29.81 O ATOM 0 H GLY A 219 46.473 23.521 57.222 1.00 28.07 H new ATOM 0 HA2 GLY A 219 48.572 23.475 56.483 1.00 27.65 H new ATOM 0 HA3 GLY A 219 48.967 22.916 57.884 1.00 27.65 H new ATOM 2861 N CYS A 220 49.577 20.814 56.601 1.00 28.52 N ATOM 2862 CA CYS A 220 49.711 19.448 56.062 1.00 28.45 C ATOM 2863 C CYS A 220 50.630 18.636 56.944 1.00 28.94 C ATOM 2864 O CYS A 220 51.622 19.174 57.402 1.00 28.80 O ATOM 2865 CB CYS A 220 50.290 19.521 54.648 1.00 28.61 C ATOM 2866 SG CYS A 220 49.289 20.400 53.425 1.00 25.85 S ATOM 0 H CYS A 220 50.297 21.158 56.922 1.00 28.52 H new ATOM 0 HA CYS A 220 48.839 19.023 56.038 1.00 28.45 H new ATOM 0 HB2 CYS A 220 51.159 19.948 54.695 1.00 28.61 H new ATOM 0 HB3 CYS A 220 50.436 18.616 54.330 1.00 28.61 H new ATOM 2871 N ALA A 221A 50.255 17.388 57.122 1.00 29.59 N ATOM 2872 CA ALA A 221A 50.980 16.351 57.934 1.00 28.91 C ATOM 2873 C ALA A 221A 51.277 16.737 59.370 1.00 26.18 C ATOM 2874 O ALA A 221A 52.290 16.311 59.890 1.00 24.04 O ATOM 2875 CB ALA A 221A 52.326 16.004 57.241 1.00 30.28 C ATOM 0 H ALA A 221A 49.536 17.078 56.765 1.00 29.59 H new ATOM 0 HA ALA A 221A 50.372 15.596 57.975 1.00 28.91 H new ATOM 0 HB1 ALA A 221A 52.796 15.335 57.763 1.00 30.28 H new ATOM 0 HB2 ALA A 221A 52.152 15.657 56.352 1.00 30.28 H new ATOM 0 HB3 ALA A 221A 52.871 16.803 57.175 1.00 30.28 H new ATOM 2881 N GLN A 221 50.392 17.491 59.945 1.00 25.31 N ATOM 2882 CA GLN A 221 50.574 17.938 61.354 1.00 27.04 C ATOM 2883 C GLN A 221 49.884 16.924 62.227 1.00 27.14 C ATOM 2884 O GLN A 221 48.864 16.352 61.871 1.00 23.92 O ATOM 2885 CB GLN A 221 49.937 19.354 61.597 1.00 26.19 C ATOM 2886 CG GLN A 221 50.669 20.485 60.794 1.00 27.82 C ATOM 2887 CD GLN A 221 52.121 20.550 61.258 0.24 28.76 C ATOM 2888 OE1 GLN A 221 52.394 20.788 62.419 0.24 30.19 O ATOM 2889 NE2 GLN A 221 53.082 20.343 60.414 0.24 28.09 N ATOM 0 H GLN A 221 49.672 17.771 59.567 1.00 25.31 H new ATOM 0 HA GLN A 221 51.520 18.008 61.557 1.00 27.04 H new ATOM 0 HB2 GLN A 221 49.001 19.333 61.341 1.00 26.19 H new ATOM 0 HB3 GLN A 221 49.968 19.561 62.544 1.00 26.19 H new ATOM 0 HG2 GLN A 221 50.628 20.303 59.842 1.00 27.82 H new ATOM 0 HG3 GLN A 221 50.231 21.338 60.939 1.00 27.82 H new ATOM 0 HE21 GLN A 221 52.902 20.174 59.590 0.24 28.09 H new ATOM 0 HE22 GLN A 221 53.900 20.375 60.678 0.24 28.09 H new ATOM 2898 N LYS A 222 50.527 16.778 63.354 1.00 32.31 N ATOM 2899 CA LYS A 222 50.097 15.839 64.429 1.00 32.45 C ATOM 2900 C LYS A 222 48.694 16.244 64.883 1.00 30.79 C ATOM 2901 O LYS A 222 48.456 17.385 65.194 1.00 34.69 O ATOM 2902 CB LYS A 222 51.159 15.946 65.555 0.53 30.36 C ATOM 2903 CG LYS A 222 50.878 14.956 66.676 0.53 29.35 C ATOM 2904 CD LYS A 222 51.974 15.135 67.741 0.53 33.27 C ATOM 2905 CE LYS A 222 51.682 14.215 68.948 0.53 37.63 C ATOM 2906 NZ LYS A 222 52.736 14.379 70.004 0.53 40.50 N ATOM 0 H LYS A 222 51.241 17.217 63.546 1.00 32.31 H new ATOM 0 HA LYS A 222 50.044 14.915 64.140 1.00 32.45 H new ATOM 0 HB2 LYS A 222 52.041 15.780 65.187 0.53 30.36 H new ATOM 0 HB3 LYS A 222 51.166 16.848 65.911 0.53 30.36 H new ATOM 0 HG2 LYS A 222 50.001 15.115 67.059 0.53 29.35 H new ATOM 0 HG3 LYS A 222 50.878 14.047 66.336 0.53 29.35 H new ATOM 0 HD2 LYS A 222 52.842 14.922 67.364 0.53 33.27 H new ATOM 0 HD3 LYS A 222 52.009 16.060 68.029 0.53 33.27 H new ATOM 0 HE2 LYS A 222 50.811 14.426 69.318 0.53 37.63 H new ATOM 0 HE3 LYS A 222 51.650 13.290 68.656 0.53 37.63 H new ATOM 0 HZ1 LYS A 222 52.554 13.844 70.691 0.53 40.50 H new ATOM 0 HZ2 LYS A 222 53.531 14.167 69.665 0.53 40.50 H new ATOM 0 HZ3 LYS A 222 52.749 15.224 70.282 0.53 40.50 H new ATOM 2920 N ASN A 223 47.812 15.306 64.906 1.00 32.12 N ATOM 2921 CA ASN A 223 46.396 15.486 65.312 1.00 31.18 C ATOM 2922 C ASN A 223 45.613 16.349 64.364 1.00 30.49 C ATOM 2923 O ASN A 223 44.572 16.849 64.740 1.00 32.73 O ATOM 2924 CB ASN A 223 46.282 16.108 66.698 1.00 36.23 C ATOM 2925 CG ASN A 223 46.683 15.042 67.690 1.00 41.37 C ATOM 2926 OD1 ASN A 223 46.069 13.995 67.756 1.00 45.82 O ATOM 2927 ND2 ASN A 223 47.701 15.246 68.482 1.00 45.98 N ATOM 0 H ASN A 223 47.996 14.496 64.681 1.00 32.12 H new ATOM 0 HA ASN A 223 46.024 14.590 65.307 1.00 31.18 H new ATOM 0 HB2 ASN A 223 46.859 16.884 66.775 1.00 36.23 H new ATOM 0 HB3 ASN A 223 45.376 16.410 66.866 1.00 36.23 H new ATOM 0 HD21 ASN A 223 47.934 14.641 69.047 1.00 45.98 H new ATOM 0 HD22 ASN A 223 48.138 15.985 68.439 1.00 45.98 H new ATOM 2934 N LYS A 224 46.068 16.508 63.119 1.00 31.73 N ATOM 2935 CA LYS A 224 45.376 17.330 62.065 1.00 29.37 C ATOM 2936 C LYS A 224 45.321 16.464 60.812 1.00 29.89 C ATOM 2937 O LYS A 224 46.053 16.748 59.879 1.00 35.54 O ATOM 2938 CB LYS A 224 46.173 18.615 61.751 1.00 31.29 C ATOM 2939 CG LYS A 224 46.193 19.547 62.986 1.00 32.95 C ATOM 2940 CD LYS A 224 44.733 19.984 63.263 1.00 34.94 C ATOM 2941 CE ALYS A 224 44.610 20.946 64.429 0.63 33.78 C ATOM 2942 CE BLYS A 224 44.711 20.871 64.535 0.33 34.84 C ATOM 2943 NZ ALYS A 224 43.162 21.136 64.711 0.63 34.03 N ATOM 2944 NZ BLYS A 224 43.686 20.385 65.507 0.33 35.00 N ATOM 0 H LYS A 224 46.796 16.144 62.841 1.00 31.73 H new ATOM 0 HA LYS A 224 44.494 17.595 62.370 1.00 29.37 H new ATOM 0 HB2 LYS A 224 47.080 18.386 61.495 1.00 31.29 H new ATOM 0 HB3 LYS A 224 45.773 19.075 60.997 1.00 31.29 H new ATOM 0 HG2 LYS A 224 46.563 19.086 63.755 1.00 32.95 H new ATOM 0 HG3 LYS A 224 46.755 20.320 62.821 1.00 32.95 H new ATOM 0 HD2ALYS A 224 44.370 20.402 62.467 0.63 34.94 H new ATOM 0 HD2BLYS A 224 44.380 20.475 62.505 0.33 34.94 H new ATOM 0 HD3ALYS A 224 44.194 19.197 63.442 0.63 34.94 H new ATOM 0 HD3BLYS A 224 44.167 19.206 63.386 0.33 34.94 H new ATOM 0 HE2ALYS A 224 45.065 20.594 65.210 0.63 34.84 H new ATOM 0 HE2BLYS A 224 45.586 20.865 64.953 0.33 34.84 H new ATOM 0 HE3ALYS A 224 45.029 21.794 64.215 0.63 34.84 H new ATOM 0 HE3BLYS A 224 44.520 21.790 64.290 0.33 34.84 H new ATOM 0 HZ1ALYS A 224 43.064 21.698 65.394 0.63 35.00 H new ATOM 0 HZ1BLYS A 224 43.690 20.907 66.228 0.33 35.00 H new ATOM 0 HZ2ALYS A 224 42.761 21.471 63.991 0.63 35.00 H new ATOM 0 HZ2BLYS A 224 42.881 20.410 65.127 0.33 35.00 H new ATOM 0 HZ3ALYS A 224 42.794 20.352 64.917 0.63 35.00 H new ATOM 0 HZ3BLYS A 224 43.875 19.549 65.745 0.33 35.00 H new ATOM 2963 N PRO A 225 44.518 15.466 60.794 1.00 25.52 N ATOM 2964 CA PRO A 225 44.392 14.602 59.576 1.00 23.14 C ATOM 2965 C PRO A 225 43.674 15.336 58.408 1.00 21.99 C ATOM 2966 O PRO A 225 43.062 16.382 58.556 1.00 21.32 O ATOM 2967 CB PRO A 225 43.645 13.351 60.082 1.00 22.34 C ATOM 2968 CG PRO A 225 42.732 13.926 61.227 1.00 24.66 C ATOM 2969 CD PRO A 225 43.637 14.988 61.913 1.00 25.66 C ATOM 0 HA PRO A 225 45.249 14.366 59.188 1.00 23.14 H new ATOM 0 HB2 PRO A 225 43.121 12.936 59.379 1.00 22.34 H new ATOM 0 HB3 PRO A 225 44.258 12.677 60.415 1.00 22.34 H new ATOM 0 HG2 PRO A 225 41.921 14.323 60.872 1.00 24.66 H new ATOM 0 HG3 PRO A 225 42.460 13.233 61.849 1.00 24.66 H new ATOM 0 HD2 PRO A 225 43.115 15.712 62.292 1.00 25.66 H new ATOM 0 HD3 PRO A 225 44.155 14.603 62.637 1.00 25.66 H new ATOM 2977 N GLY A 226 43.758 14.738 57.265 1.00 16.75 N ATOM 2978 CA GLY A 226 43.107 15.403 56.121 1.00 12.95 C ATOM 2979 C GLY A 226 41.637 15.097 56.222 1.00 12.55 C ATOM 2980 O GLY A 226 41.261 14.100 56.810 1.00 13.67 O ATOM 0 H GLY A 226 44.155 13.992 57.105 1.00 16.75 H new ATOM 0 HA2 GLY A 226 43.262 16.360 56.145 1.00 12.95 H new ATOM 0 HA3 GLY A 226 43.470 15.078 55.282 1.00 12.95 H new ATOM 2984 N VAL A 227 40.881 15.961 55.613 1.00 15.76 N ATOM 2985 CA VAL A 227 39.399 15.874 55.570 1.00 11.63 C ATOM 2986 C VAL A 227 39.120 15.701 54.055 1.00 6.22 C ATOM 2987 O VAL A 227 39.608 16.433 53.212 1.00 8.98 O ATOM 2988 CB VAL A 227 38.844 17.172 56.145 1.00 12.67 C ATOM 2989 CG1 VAL A 227 37.334 17.044 56.352 1.00 12.92 C ATOM 2990 CG2 VAL A 227 39.530 17.483 57.528 1.00 12.95 C ATOM 0 H VAL A 227 41.196 16.643 55.194 1.00 15.76 H new ATOM 0 HA VAL A 227 38.992 15.158 56.082 1.00 11.63 H new ATOM 0 HB VAL A 227 39.027 17.893 55.523 1.00 12.67 H new ATOM 0 HG11 VAL A 227 36.986 17.872 56.718 1.00 12.92 H new ATOM 0 HG12 VAL A 227 36.905 16.861 55.501 1.00 12.92 H new ATOM 0 HG13 VAL A 227 37.152 16.317 56.968 1.00 12.92 H new ATOM 0 HG21 VAL A 227 39.173 18.310 57.888 1.00 12.95 H new ATOM 0 HG22 VAL A 227 39.353 16.758 58.147 1.00 12.95 H new ATOM 0 HG23 VAL A 227 40.487 17.573 57.401 1.00 12.95 H new ATOM 3000 N TYR A 228 38.332 14.714 53.771 1.00 8.95 N ATOM 3001 CA TYR A 228 37.922 14.324 52.410 1.00 11.91 C ATOM 3002 C TYR A 228 36.395 14.413 52.198 1.00 11.50 C ATOM 3003 O TYR A 228 35.687 14.192 53.153 1.00 16.19 O ATOM 3004 CB TYR A 228 38.405 12.923 52.245 1.00 9.78 C ATOM 3005 CG TYR A 228 39.909 12.925 52.470 1.00 11.15 C ATOM 3006 CD1 TYR A 228 40.739 13.132 51.380 1.00 13.72 C ATOM 3007 CD2 TYR A 228 40.470 12.756 53.716 1.00 7.68 C ATOM 3008 CE1 TYR A 228 42.074 13.183 51.523 1.00 15.35 C ATOM 3009 CE2 TYR A 228 41.835 12.813 53.845 1.00 10.55 C ATOM 3010 CZ TYR A 228 42.640 13.032 52.745 1.00 14.27 C ATOM 3011 OH TYR A 228 44.020 13.107 52.771 1.00 15.41 O ATOM 0 H TYR A 228 37.990 14.211 54.379 1.00 8.95 H new ATOM 0 HA TYR A 228 38.300 14.927 51.751 1.00 11.91 H new ATOM 0 HB2 TYR A 228 37.966 12.335 52.879 1.00 9.78 H new ATOM 0 HB3 TYR A 228 38.194 12.592 51.358 1.00 9.78 H new ATOM 0 HD1 TYR A 228 40.366 13.237 50.535 1.00 13.72 H new ATOM 0 HD2 TYR A 228 39.932 12.605 54.459 1.00 7.68 H new ATOM 0 HE1 TYR A 228 42.613 13.323 50.778 1.00 15.35 H new ATOM 0 HE2 TYR A 228 42.222 12.703 54.683 1.00 10.55 H new ATOM 0 HH TYR A 228 44.330 12.833 52.040 1.00 15.41 H new ATOM 3021 N THR A 229 35.952 14.736 50.988 1.00 10.57 N ATOM 3022 CA THR A 229 34.489 14.843 50.645 1.00 9.51 C ATOM 3023 C THR A 229 34.043 13.363 50.609 1.00 12.16 C ATOM 3024 O THR A 229 34.693 12.533 50.009 1.00 14.47 O ATOM 3025 CB THR A 229 34.311 15.457 49.240 1.00 11.78 C ATOM 3026 OG1 THR A 229 34.883 16.761 49.263 1.00 12.24 O ATOM 3027 CG2 THR A 229 32.828 15.637 48.891 1.00 12.28 C ATOM 0 H THR A 229 36.474 14.904 50.326 1.00 10.57 H new ATOM 0 HA THR A 229 33.990 15.397 51.265 1.00 9.51 H new ATOM 0 HB THR A 229 34.728 14.868 48.592 1.00 11.78 H new ATOM 0 HG1 THR A 229 34.653 17.180 48.573 1.00 12.24 H new ATOM 0 HG21 THR A 229 32.749 16.024 48.005 1.00 12.28 H new ATOM 0 HG22 THR A 229 32.384 14.775 48.908 1.00 12.28 H new ATOM 0 HG23 THR A 229 32.412 16.227 49.539 1.00 12.28 H new ATOM 3035 N LYS A 230 32.961 13.061 51.229 1.00 9.55 N ATOM 3036 CA LYS A 230 32.429 11.689 51.284 1.00 13.24 C ATOM 3037 C LYS A 230 31.622 11.544 50.023 1.00 13.51 C ATOM 3038 O LYS A 230 30.461 11.883 49.978 1.00 16.26 O ATOM 3039 CB LYS A 230 31.620 11.666 52.570 1.00 12.87 C ATOM 3040 CG LYS A 230 31.357 10.255 53.056 1.00 17.23 C ATOM 3041 CD LYS A 230 30.626 10.391 54.415 1.00 21.75 C ATOM 3042 CE LYS A 230 30.505 9.053 55.070 1.00 24.74 C ATOM 3043 NZ LYS A 230 29.911 9.278 56.420 1.00 26.82 N ATOM 0 H LYS A 230 32.481 13.637 51.649 1.00 9.55 H new ATOM 0 HA LYS A 230 33.062 10.955 51.310 1.00 13.24 H new ATOM 0 HB2 LYS A 230 32.094 12.160 53.257 1.00 12.87 H new ATOM 0 HB3 LYS A 230 30.775 12.120 52.427 1.00 12.87 H new ATOM 0 HG2 LYS A 230 30.814 9.765 52.419 1.00 17.23 H new ATOM 0 HG3 LYS A 230 32.187 9.764 53.158 1.00 17.23 H new ATOM 0 HD2 LYS A 230 31.113 10.999 54.993 1.00 21.75 H new ATOM 0 HD3 LYS A 230 29.745 10.773 54.279 1.00 21.75 H new ATOM 0 HE2 LYS A 230 29.944 8.463 54.543 1.00 24.74 H new ATOM 0 HE3 LYS A 230 31.374 8.628 55.144 1.00 24.74 H new ATOM 0 HZ1 LYS A 230 29.824 8.498 56.840 1.00 26.82 H new ATOM 0 HZ2 LYS A 230 30.443 9.812 56.893 1.00 26.82 H new ATOM 0 HZ3 LYS A 230 29.111 9.658 56.333 1.00 26.82 H new ATOM 3057 N VAL A 231 32.276 11.049 49.027 1.00 13.95 N ATOM 3058 CA VAL A 231 31.634 10.851 47.695 1.00 15.11 C ATOM 3059 C VAL A 231 30.414 9.899 47.738 1.00 14.81 C ATOM 3060 O VAL A 231 29.495 10.102 46.963 1.00 14.15 O ATOM 3061 CB VAL A 231 32.739 10.314 46.693 1.00 16.59 C ATOM 3062 CG1 VAL A 231 32.165 10.192 45.262 1.00 19.77 C ATOM 3063 CG2 VAL A 231 33.896 11.307 46.601 1.00 16.21 C ATOM 0 H VAL A 231 33.101 10.808 49.065 1.00 13.95 H new ATOM 0 HA VAL A 231 31.282 11.704 47.395 1.00 15.11 H new ATOM 0 HB VAL A 231 33.033 9.452 47.028 1.00 16.59 H new ATOM 0 HG11 VAL A 231 32.854 9.863 44.664 1.00 19.77 H new ATOM 0 HG12 VAL A 231 31.417 9.574 45.265 1.00 19.77 H new ATOM 0 HG13 VAL A 231 31.863 11.063 44.959 1.00 19.77 H new ATOM 0 HG21 VAL A 231 34.565 10.968 45.986 1.00 16.21 H new ATOM 0 HG22 VAL A 231 33.565 12.161 46.280 1.00 16.21 H new ATOM 0 HG23 VAL A 231 34.293 11.423 47.478 1.00 16.21 H new ATOM 3073 N CYS A 232 30.389 8.901 48.599 1.00 15.90 N ATOM 3074 CA CYS A 232 29.204 7.983 48.609 1.00 13.41 C ATOM 3075 C CYS A 232 27.908 8.723 48.853 1.00 13.61 C ATOM 3076 O CYS A 232 26.874 8.161 48.583 1.00 12.38 O ATOM 3077 CB CYS A 232 29.401 6.879 49.671 1.00 15.01 C ATOM 3078 SG CYS A 232 29.504 7.410 51.387 1.00 15.92 S ATOM 0 H CYS A 232 31.005 8.722 49.171 1.00 15.90 H new ATOM 0 HA CYS A 232 29.140 7.579 47.729 1.00 13.41 H new ATOM 0 HB2 CYS A 232 28.666 6.250 49.593 1.00 15.01 H new ATOM 0 HB3 CYS A 232 30.213 6.394 49.456 1.00 15.01 H new ATOM 3083 N ASN A 233 27.972 9.941 49.330 1.00 14.25 N ATOM 3084 CA ASN A 233 26.737 10.746 49.596 1.00 15.31 C ATOM 3085 C ASN A 233 26.272 11.495 48.331 1.00 14.83 C ATOM 3086 O ASN A 233 25.176 12.028 48.309 1.00 16.02 O ATOM 3087 CB ASN A 233 26.975 11.822 50.618 1.00 16.87 C ATOM 3088 CG ASN A 233 27.078 11.328 52.044 1.00 17.66 C ATOM 3089 OD1 ASN A 233 27.145 10.153 52.333 1.00 20.18 O ATOM 3090 ND2 ASN A 233 27.101 12.203 52.998 1.00 19.31 N ATOM 0 H ASN A 233 28.707 10.346 49.516 1.00 14.25 H new ATOM 0 HA ASN A 233 26.078 10.104 49.903 1.00 15.31 H new ATOM 0 HB2 ASN A 233 27.793 12.291 50.391 1.00 16.87 H new ATOM 0 HB3 ASN A 233 26.253 12.468 50.564 1.00 16.87 H new ATOM 0 HD21 ASN A 233 27.163 11.946 53.816 1.00 19.31 H new ATOM 0 HD22 ASN A 233 27.055 13.042 52.813 1.00 19.31 H new ATOM 3097 N TYR A 234 27.103 11.529 47.327 1.00 12.60 N ATOM 3098 CA TYR A 234 26.802 12.233 46.047 1.00 13.68 C ATOM 3099 C TYR A 234 26.647 11.337 44.823 1.00 15.11 C ATOM 3100 O TYR A 234 26.620 11.889 43.742 1.00 18.34 O ATOM 3101 CB TYR A 234 27.942 13.202 45.741 1.00 12.58 C ATOM 3102 CG TYR A 234 28.161 14.127 46.889 1.00 11.16 C ATOM 3103 CD1 TYR A 234 27.429 15.271 46.956 1.00 14.03 C ATOM 3104 CD2 TYR A 234 29.077 13.836 47.874 1.00 12.37 C ATOM 3105 CE1 TYR A 234 27.598 16.131 48.009 1.00 16.50 C ATOM 3106 CE2 TYR A 234 29.254 14.679 48.916 1.00 11.50 C ATOM 3107 CZ TYR A 234 28.516 15.834 48.998 1.00 15.97 C ATOM 3108 OH TYR A 234 28.708 16.680 50.064 1.00 17.53 O ATOM 0 H TYR A 234 27.874 11.149 47.340 1.00 12.60 H new ATOM 0 HA TYR A 234 25.945 12.663 46.194 1.00 13.68 H new ATOM 0 HB2 TYR A 234 28.755 12.706 45.558 1.00 12.58 H new ATOM 0 HB3 TYR A 234 27.735 13.712 44.942 1.00 12.58 H new ATOM 0 HD1 TYR A 234 26.814 15.470 46.287 1.00 14.03 H new ATOM 0 HD2 TYR A 234 29.578 13.054 47.822 1.00 12.37 H new ATOM 0 HE1 TYR A 234 27.096 16.912 48.058 1.00 16.50 H new ATOM 0 HE2 TYR A 234 29.876 14.477 49.577 1.00 11.50 H new ATOM 0 HH TYR A 234 28.136 17.295 50.041 1.00 17.53 H new ATOM 3118 N VAL A 235 26.530 10.036 44.923 1.00 18.95 N ATOM 3119 CA VAL A 235 26.408 9.219 43.667 1.00 19.53 C ATOM 3120 C VAL A 235 25.117 9.579 42.857 1.00 19.26 C ATOM 3121 O VAL A 235 25.173 9.763 41.659 1.00 16.08 O ATOM 3122 CB VAL A 235 26.495 7.676 44.139 1.00 19.66 C ATOM 3123 CG1 VAL A 235 26.311 6.688 42.944 1.00 22.05 C ATOM 3124 CG2 VAL A 235 27.898 7.310 44.789 1.00 18.11 C ATOM 0 H VAL A 235 26.516 9.593 45.660 1.00 18.95 H new ATOM 0 HA VAL A 235 27.121 9.407 43.036 1.00 19.53 H new ATOM 0 HB VAL A 235 25.781 7.584 44.790 1.00 19.66 H new ATOM 0 HG11 VAL A 235 26.369 5.775 43.267 1.00 22.05 H new ATOM 0 HG12 VAL A 235 25.443 6.831 42.536 1.00 22.05 H new ATOM 0 HG13 VAL A 235 27.006 6.843 42.286 1.00 22.05 H new ATOM 0 HG21 VAL A 235 27.898 6.377 45.054 1.00 18.11 H new ATOM 0 HG22 VAL A 235 28.604 7.462 44.142 1.00 18.11 H new ATOM 0 HG23 VAL A 235 28.049 7.867 45.569 1.00 18.11 H new ATOM 3134 N SER A 236 23.983 9.693 43.495 1.00 15.76 N ATOM 3135 CA SER A 236 22.739 10.016 42.766 1.00 15.24 C ATOM 3136 C SER A 236 22.882 11.357 42.100 1.00 14.43 C ATOM 3137 O SER A 236 22.438 11.516 40.980 1.00 11.00 O ATOM 3138 CB ASER A 236 21.588 10.012 43.769 0.35 15.23 C ATOM 3139 CB BSER A 236 21.584 9.946 43.808 0.35 14.19 C ATOM 3140 OG ASER A 236 21.982 8.988 44.697 0.35 15.89 O ATOM 3141 OG BSER A 236 22.042 10.624 44.981 0.35 17.20 O ATOM 0 H SER A 236 23.890 9.592 44.344 1.00 15.76 H new ATOM 0 HA SER A 236 22.560 9.360 42.074 1.00 15.24 H new ATOM 0 HB2ASER A 236 21.486 10.873 44.204 0.35 14.19 H new ATOM 0 HB2BSER A 236 20.781 10.365 43.460 0.35 14.19 H new ATOM 0 HB3ASER A 236 20.740 9.807 43.344 0.35 14.19 H new ATOM 0 HB3BSER A 236 21.358 9.024 44.010 0.35 14.19 H new ATOM 0 HG ASER A 236 21.399 8.914 45.297 0.35 17.20 H new ATOM 0 HG BSER A 236 22.063 11.451 44.837 0.35 17.20 H new ATOM 3150 N TRP A 237 23.486 12.279 42.786 1.00 15.88 N ATOM 3151 CA TRP A 237 23.679 13.657 42.193 1.00 15.74 C ATOM 3152 C TRP A 237 24.647 13.527 41.001 1.00 11.50 C ATOM 3153 O TRP A 237 24.375 14.028 39.926 1.00 14.32 O ATOM 3154 CB TRP A 237 24.282 14.716 43.296 1.00 13.86 C ATOM 3155 CG TRP A 237 24.636 16.057 42.561 1.00 12.61 C ATOM 3156 CD1 TRP A 237 23.717 16.956 42.077 1.00 14.27 C ATOM 3157 CD2 TRP A 237 25.886 16.519 42.257 1.00 12.80 C ATOM 3158 NE1 TRP A 237 24.468 17.874 41.500 1.00 13.99 N ATOM 3159 CE2 TRP A 237 25.776 17.711 41.546 1.00 12.31 C ATOM 3160 CE3 TRP A 237 27.164 16.019 42.509 1.00 12.30 C ATOM 3161 CZ2 TRP A 237 26.913 18.391 41.101 1.00 13.95 C ATOM 3162 CZ3 TRP A 237 28.302 16.690 42.067 1.00 13.01 C ATOM 3163 CH2 TRP A 237 28.182 17.882 41.366 1.00 10.48 C ATOM 0 H TRP A 237 23.800 12.174 43.580 1.00 15.88 H new ATOM 0 HA TRP A 237 22.820 14.005 41.906 1.00 15.74 H new ATOM 0 HB2 TRP A 237 23.632 14.878 43.998 1.00 13.86 H new ATOM 0 HB3 TRP A 237 25.072 14.346 43.721 1.00 13.86 H new ATOM 0 HD1 TRP A 237 22.790 16.925 42.141 1.00 14.27 H new ATOM 0 HE1 TRP A 237 24.117 18.554 41.108 1.00 13.99 H new ATOM 0 HE3 TRP A 237 27.258 15.223 42.981 1.00 12.30 H new ATOM 0 HZ2 TRP A 237 26.822 19.186 40.627 1.00 13.95 H new ATOM 0 HZ3 TRP A 237 29.145 16.338 42.242 1.00 13.01 H new ATOM 0 HH2 TRP A 237 28.940 18.336 41.077 1.00 10.48 H new ATOM 3174 N ILE A 238 25.746 12.866 41.192 1.00 14.64 N ATOM 3175 CA ILE A 238 26.695 12.721 40.046 1.00 12.17 C ATOM 3176 C ILE A 238 25.973 12.050 38.850 1.00 19.54 C ATOM 3177 O ILE A 238 25.892 12.573 37.749 1.00 21.72 O ATOM 3178 CB ILE A 238 27.920 11.840 40.480 1.00 15.84 C ATOM 3179 CG1 ILE A 238 28.761 12.626 41.548 1.00 14.86 C ATOM 3180 CG2 ILE A 238 28.804 11.522 39.228 1.00 14.79 C ATOM 3181 CD1 ILE A 238 29.876 11.756 42.200 1.00 14.21 C ATOM 0 H ILE A 238 25.986 12.495 41.930 1.00 14.64 H new ATOM 0 HA ILE A 238 27.009 13.600 39.780 1.00 12.17 H new ATOM 0 HB ILE A 238 27.609 11.006 40.865 1.00 15.84 H new ATOM 0 HG12 ILE A 238 29.166 13.401 41.128 1.00 14.86 H new ATOM 0 HG13 ILE A 238 28.168 12.956 42.241 1.00 14.86 H new ATOM 0 HG21 ILE A 238 29.561 10.978 39.496 1.00 14.79 H new ATOM 0 HG22 ILE A 238 28.276 11.040 38.573 1.00 14.79 H new ATOM 0 HG23 ILE A 238 29.124 12.351 38.839 1.00 14.79 H new ATOM 0 HD11 ILE A 238 30.363 12.287 42.849 1.00 14.21 H new ATOM 0 HD12 ILE A 238 29.473 10.993 42.644 1.00 14.21 H new ATOM 0 HD13 ILE A 238 30.487 11.445 41.514 1.00 14.21 H new ATOM 3193 N LYS A 239 25.459 10.879 39.086 1.00 21.95 N ATOM 3194 CA LYS A 239 24.751 10.147 38.000 1.00 22.58 C ATOM 3195 C LYS A 239 23.659 10.927 37.324 1.00 20.12 C ATOM 3196 O LYS A 239 23.571 10.848 36.120 1.00 22.15 O ATOM 3197 CB LYS A 239 24.138 8.845 38.533 1.00 21.33 C ATOM 3198 CG LYS A 239 25.320 7.956 38.786 1.00 28.09 C ATOM 3199 CD LYS A 239 24.833 6.549 39.056 1.00 32.59 C ATOM 3200 CE LYS A 239 26.100 5.675 39.173 1.00 37.84 C ATOM 3201 NZ LYS A 239 25.738 4.246 39.367 1.00 42.32 N ATOM 0 H LYS A 239 25.491 10.471 39.843 1.00 21.95 H new ATOM 0 HA LYS A 239 25.439 9.975 37.338 1.00 22.58 H new ATOM 0 HB2 LYS A 239 23.631 8.999 39.345 1.00 21.33 H new ATOM 0 HB3 LYS A 239 23.530 8.450 37.889 1.00 21.33 H new ATOM 0 HG2 LYS A 239 25.914 7.963 38.019 1.00 28.09 H new ATOM 0 HG3 LYS A 239 25.830 8.285 39.543 1.00 28.09 H new ATOM 0 HD2 LYS A 239 24.310 6.513 39.872 1.00 32.59 H new ATOM 0 HD3 LYS A 239 24.260 6.236 38.338 1.00 32.59 H new ATOM 0 HE2 LYS A 239 26.639 5.771 38.373 1.00 37.84 H new ATOM 0 HE3 LYS A 239 26.641 5.980 39.918 1.00 37.84 H new ATOM 0 HZ1 LYS A 239 26.479 3.758 39.432 1.00 42.32 H new ATOM 0 HZ2 LYS A 239 25.260 4.159 40.112 1.00 42.32 H new ATOM 0 HZ3 LYS A 239 25.258 3.964 38.673 1.00 42.32 H new ATOM 3215 N GLN A 240 22.873 11.638 38.068 1.00 18.44 N ATOM 3216 CA GLN A 240 21.773 12.416 37.450 1.00 17.07 C ATOM 3217 C GLN A 240 22.285 13.571 36.625 1.00 18.35 C ATOM 3218 O GLN A 240 21.766 13.846 35.553 1.00 17.75 O ATOM 3219 CB GLN A 240 20.856 12.896 38.601 1.00 18.85 C ATOM 3220 CG GLN A 240 19.611 13.647 38.088 0.14 19.75 C ATOM 3221 CD GLN A 240 18.491 13.398 39.093 0.14 20.23 C ATOM 3222 OE1 GLN A 240 18.660 13.553 40.283 0.14 22.07 O ATOM 3223 NE2 GLN A 240 17.324 13.004 38.688 0.14 19.76 N ATOM 0 H GLN A 240 22.933 11.703 38.923 1.00 18.44 H new ATOM 0 HA GLN A 240 21.278 11.859 36.829 1.00 17.07 H new ATOM 0 HB2 GLN A 240 20.575 12.131 39.127 1.00 18.85 H new ATOM 0 HB3 GLN A 240 21.360 13.477 39.192 1.00 18.85 H new ATOM 0 HG2 GLN A 240 19.793 14.596 38.006 0.14 19.75 H new ATOM 0 HG3 GLN A 240 19.358 13.329 37.207 0.14 19.75 H new ATOM 0 HE21 GLN A 240 17.177 12.886 37.849 0.14 19.76 H new ATOM 0 HE22 GLN A 240 16.697 12.860 39.259 0.14 19.76 H new ATOM 3232 N THR A 241 23.272 14.215 37.151 1.00 15.53 N ATOM 3233 CA THR A 241 23.875 15.366 36.448 1.00 15.66 C ATOM 3234 C THR A 241 24.595 14.991 35.154 1.00 17.64 C ATOM 3235 O THR A 241 24.402 15.649 34.150 1.00 12.24 O ATOM 3236 CB THR A 241 24.834 16.032 37.462 1.00 16.18 C ATOM 3237 OG1 THR A 241 23.957 16.389 38.528 1.00 14.02 O ATOM 3238 CG2 THR A 241 25.373 17.384 36.988 1.00 15.39 C ATOM 0 H THR A 241 23.628 14.026 37.911 1.00 15.53 H new ATOM 0 HA THR A 241 23.177 15.973 36.157 1.00 15.66 H new ATOM 0 HB THR A 241 25.579 15.439 37.646 1.00 16.18 H new ATOM 0 HG1 THR A 241 23.948 15.775 39.101 1.00 14.02 H new ATOM 0 HG21 THR A 241 25.966 17.751 37.663 1.00 15.39 H new ATOM 0 HG22 THR A 241 25.862 17.265 36.159 1.00 15.39 H new ATOM 0 HG23 THR A 241 24.633 17.994 36.842 1.00 15.39 H new ATOM 3246 N ILE A 242 25.385 13.963 35.153 1.00 17.34 N ATOM 3247 CA ILE A 242 26.073 13.629 33.876 1.00 17.08 C ATOM 3248 C ILE A 242 25.139 13.061 32.826 1.00 16.09 C ATOM 3249 O ILE A 242 25.424 13.096 31.646 1.00 16.78 O ATOM 3250 CB ILE A 242 27.215 12.633 34.199 1.00 19.54 C ATOM 3251 CG1 ILE A 242 26.676 11.277 34.722 1.00 18.41 C ATOM 3252 CG2 ILE A 242 28.146 13.311 35.279 1.00 20.39 C ATOM 3253 CD1 ILE A 242 27.861 10.344 34.961 1.00 22.92 C ATOM 0 H ILE A 242 25.552 13.451 35.823 1.00 17.34 H new ATOM 0 HA ILE A 242 26.425 14.447 33.491 1.00 17.08 H new ATOM 0 HB ILE A 242 27.709 12.436 33.388 1.00 19.54 H new ATOM 0 HG12 ILE A 242 26.178 11.407 35.544 1.00 18.41 H new ATOM 0 HG13 ILE A 242 26.064 10.887 34.078 1.00 18.41 H new ATOM 0 HG21 ILE A 242 28.873 12.710 35.503 1.00 20.39 H new ATOM 0 HG22 ILE A 242 28.508 14.137 34.922 1.00 20.39 H new ATOM 0 HG23 ILE A 242 27.629 13.504 36.077 1.00 20.39 H new ATOM 0 HD11 ILE A 242 27.539 9.490 35.289 1.00 22.92 H new ATOM 0 HD12 ILE A 242 28.341 10.210 34.129 1.00 22.92 H new ATOM 0 HD13 ILE A 242 28.456 10.738 35.617 1.00 22.92 H new ATOM 3265 N ALA A 243 24.035 12.543 33.260 1.00 14.78 N ATOM 3266 CA ALA A 243 23.086 11.973 32.259 1.00 14.59 C ATOM 3267 C ALA A 243 22.297 13.123 31.656 1.00 16.42 C ATOM 3268 O ALA A 243 21.813 13.064 30.542 1.00 23.21 O ATOM 3269 CB ALA A 243 22.099 10.972 32.933 1.00 14.96 C ATOM 0 H ALA A 243 23.791 12.495 34.083 1.00 14.78 H new ATOM 0 HA ALA A 243 23.584 11.494 31.578 1.00 14.59 H new ATOM 0 HB1 ALA A 243 21.493 10.615 32.265 1.00 14.96 H new ATOM 0 HB2 ALA A 243 22.600 10.245 33.336 1.00 14.96 H new ATOM 0 HB3 ALA A 243 21.589 11.432 33.618 1.00 14.96 H new ATOM 3275 N SER A 244 22.173 14.180 32.393 1.00 20.50 N ATOM 3276 CA SER A 244 21.397 15.323 31.861 1.00 19.84 C ATOM 3277 C SER A 244 22.290 16.416 31.307 1.00 20.32 C ATOM 3278 O SER A 244 21.777 17.489 31.092 1.00 20.64 O ATOM 3279 CB SER A 244 20.533 15.866 33.014 1.00 19.48 C ATOM 3280 OG SER A 244 19.978 14.702 33.642 1.00 25.17 O ATOM 0 H SER A 244 22.505 14.284 33.179 1.00 20.50 H new ATOM 0 HA SER A 244 20.847 15.023 31.121 1.00 19.84 H new ATOM 0 HB2 SER A 244 21.066 16.382 33.639 1.00 19.48 H new ATOM 0 HB3 SER A 244 19.835 16.453 32.684 1.00 19.48 H new ATOM 0 HG SER A 244 20.489 14.445 34.257 1.00 25.17 H new ATOM 3286 N ASN A 245 23.548 16.152 31.083 1.00 20.63 N ATOM 3287 CA ASN A 245 24.440 17.211 30.559 1.00 18.63 C ATOM 3288 C ASN A 245 25.393 16.699 29.487 1.00 18.35 C ATOM 3289 O ASN A 245 26.124 17.534 28.996 1.00 23.37 O ATOM 3290 CB ASN A 245 25.219 17.796 31.753 1.00 18.97 C ATOM 3291 CG ASN A 245 24.322 18.716 32.621 1.00 17.16 C ATOM 3292 OD1 ASN A 245 24.227 19.916 32.440 1.00 21.12 O ATOM 3293 ND2 ASN A 245 23.617 18.226 33.588 1.00 13.02 N ATOM 3294 OXT ASN A 245 25.356 15.519 29.201 1.00 18.28 O ATOM 0 H ASN A 245 23.922 15.389 31.217 1.00 20.63 H new ATOM 0 HA ASN A 245 23.903 17.894 30.127 1.00 18.63 H new ATOM 0 HB2 ASN A 245 25.567 17.074 32.299 1.00 18.97 H new ATOM 0 HB3 ASN A 245 25.982 18.299 31.428 1.00 18.97 H new ATOM 0 HD21 ASN A 245 23.118 18.743 34.061 1.00 13.02 H new ATOM 0 HD22 ASN A 245 23.648 17.384 33.758 1.00 13.02 H new TER 3301 ASN A 245 HETATM 3302 CA CA A 247 53.548 14.779 31.020 1.00 31.21 CA HETATM 3303 MG MG A 263 45.480 14.846 43.324 1.00 26.74 MG HETATM 3304 ZN ZN A 409 42.945 22.468 48.093 1.00 26.55 ZN HETATM 3305 ZN ZN A 410 45.698 24.804 53.689 0.33 44.21 ZN HETATM 3306 C1 BAK A 246 45.029 19.522 52.812 1.00 21.60 C HETATM 3307 C2 BAK A 246 44.539 19.109 51.530 1.00 21.52 C HETATM 3308 C3 BAK A 246 44.272 20.030 50.507 1.00 21.64 C HETATM 3309 C4 BAK A 246 44.503 21.355 50.816 1.00 25.19 C HETATM 3310 C5 BAK A 246 44.954 21.753 52.014 1.00 22.56 C HETATM 3311 C6 BAK A 246 45.228 20.900 53.016 1.00 22.54 C HETATM 3312 C7 BAK A 246 45.348 18.625 53.849 1.00 20.63 C HETATM 3313 C8 BAK A 246 44.710 23.432 50.838 1.00 27.47 C HETATM 3314 C9 BAK A 246 44.701 24.791 50.400 1.00 32.27 C HETATM 3315 N1 BAK A 246 46.040 19.065 54.870 1.00 22.44 N HETATM 3316 N2 BAK A 246 44.979 17.371 53.810 1.00 20.45 N HETATM 3317 N3 BAK A 246 44.358 22.425 50.078 1.00 27.77 N HETATM 3318 N4 BAK A 246 45.084 23.050 52.030 1.00 27.43 N HETATM 3319 C1' BAK A 246 43.401 27.290 45.359 0.55 34.99 C HETATM 3320 C2' BAK A 246 43.387 25.911 44.937 0.55 33.00 C HETATM 3321 C3' BAK A 246 43.664 24.862 45.822 0.55 31.98 C HETATM 3322 C4' BAK A 246 43.954 25.233 47.107 0.55 30.92 C HETATM 3323 C5' BAK A 246 43.977 26.521 47.537 0.55 32.28 C HETATM 3324 C6' BAK A 246 43.709 27.582 46.715 0.55 34.22 C HETATM 3325 C7' BAK A 246 43.126 28.320 44.469 0.55 36.92 C HETATM 3326 C8' BAK A 246 44.435 25.250 49.111 0.55 30.26 C HETATM 3327 N1' BAK A 246 42.922 29.541 44.895 0.55 38.54 N HETATM 3328 N2' BAK A 246 43.078 28.043 43.200 0.55 36.47 N HETATM 3329 N3' BAK A 246 44.243 24.458 48.109 0.55 30.55 N HETATM 3330 N4' BAK A 246 44.288 26.504 48.808 0.55 31.90 N HETATM 3331 O9 BAK A 246 44.921 25.652 51.237 1.00 35.42 O HETATM 0 HN4' BAK A 246 44.376 27.180 49.332 0.55 31.90 H new HETATM 0 HH22 BAK A 246 45.186 16.842 54.456 1.00 20.45 H new HETATM 0 HH21 BAK A 246 44.530 17.076 53.139 1.00 20.45 H new HETATM 0 HH12 BAK A 246 46.244 18.532 55.513 1.00 22.44 H new HETATM 0 HH11 BAK A 246 46.290 19.887 54.898 1.00 22.44 H new HETATM 0 H2'2 BAK A 246 42.909 28.665 42.630 0.55 36.47 H new HETATM 0 H2'1 BAK A 246 43.215 27.238 42.930 0.55 36.47 H new HETATM 0 H1'2 BAK A 246 42.753 30.170 44.333 0.55 38.54 H new HETATM 0 H1'1 BAK A 246 42.957 29.714 45.737 0.55 38.54 H new HETATM 0 HN4 BAK A 246 45.355 23.544 52.680 1.00 27.43 H new HETATM 0 H6' BAK A 246 43.728 28.494 47.044 0.55 34.22 H new HETATM 0 H6 BAK A 246 45.558 21.229 53.867 1.00 22.54 H new HETATM 0 H3' BAK A 246 43.651 23.933 45.543 0.55 31.98 H new HETATM 0 H3 BAK A 246 43.945 19.753 49.637 1.00 21.64 H new HETATM 0 H2' BAK A 246 43.179 25.704 44.012 0.55 33.00 H new HETATM 0 H2 BAK A 246 44.388 18.165 51.365 1.00 21.52 H new HETATM 3347 O HOH A 248 38.502 13.091 42.579 1.00 14.29 O HETATM 3350 O HOH A 249 34.534 18.825 52.432 1.00 22.99 O HETATM 3353 O HOH A 250 47.190 16.705 42.159 1.00 15.76 O HETATM 3356 O HOH A 251 54.787 8.406 39.731 1.00 23.73 O HETATM 3359 O HOH A 252 47.890 18.659 58.861 1.00 24.84 O HETATM 3362 O HOH A 253 55.943 12.714 49.248 1.00 33.12 O HETATM 3365 O HOH A 254 52.576 15.183 45.832 1.00 23.83 O HETATM 3368 O HOH A 255 49.145 19.754 34.342 1.00 28.24 O HETATM 3371 O HOH A 256 52.000 5.162 52.295 1.00 45.50 O HETATM 3374 O HOH A 257 36.294 10.126 59.721 1.00 14.57 O HETATM 3377 O HOH A 258 48.053 7.562 33.991 1.00 26.31 O HETATM 3380 O HOH A 259 41.861 13.718 67.554 1.00 43.14 O HETATM 3383 O HOH A 260 47.793 14.924 58.885 1.00 43.20 O HETATM 3386 O HOH A 261 51.442 8.507 36.704 1.00 20.26 O HETATM 3389 O HOH A 262 51.850 23.315 32.564 1.00 18.06 O HETATM 3392 O HOH A 264 31.948 17.934 51.863 1.00 9.60 O HETATM 3395 O HOH A 265 45.342 12.418 55.109 1.00 18.26 O HETATM 3398 O HOH A 266 47.213 12.739 57.878 1.00 25.71 O HETATM 3401 O HOH A 267 52.581 10.330 30.016 1.00 15.39 O HETATM 3404 O HOH A 268 51.065 18.659 32.489 1.00 14.34 O HETATM 3407 O HOH A 269 46.658 12.827 34.317 1.00 19.12 O HETATM 3410 O HOH A 270 47.634 9.799 35.457 1.00 25.37 O HETATM 3413 O HOH A 271 52.829 16.872 30.214 1.00 27.27 O HETATM 3416 O HOH A 272 30.947 25.959 32.721 1.00 20.46 O HETATM 3419 O HOH A 273 27.076 13.504 29.240 1.00 29.76 O HETATM 3422 O HOH A 274 52.556 22.902 36.396 1.00 19.14 O HETATM 3425 O HOH A 275 44.909 9.371 33.643 1.00 19.85 O HETATM 3428 O HOH A 276 48.919 7.484 36.903 1.00 28.32 O HETATM 3431 O HOH A 277 57.182 8.304 38.429 1.00 23.20 O HETATM 3434 O HOH A 278 30.982 29.395 46.165 1.00 16.71 O HETATM 3437 O HOH A 279 29.867 28.645 48.428 1.00 23.61 O HETATM 3440 O HOH A 280 44.137 7.280 44.076 1.00 17.73 O HETATM 3443 O HOH A 281 32.581 8.221 50.459 1.00 20.50 O HETATM 3446 O HOH A 282 33.535 22.928 58.124 1.00 22.18 O HETATM 3449 O HOH A 283 33.390 18.373 63.896 1.00 26.44 O HETATM 3452 O HOH A 284 41.101 4.001 61.388 1.00 33.34 O HETATM 3455 O HOH A 285 41.702 6.740 65.346 1.00 59.36 O HETATM 3458 O HOH A 286 32.726 6.192 28.884 1.00 22.41 O HETATM 3461 O HOH A 287 53.949 22.029 33.731 1.00 39.12 O HETATM 3464 O HOH A 288 59.305 6.934 46.263 1.00 37.83 O HETATM 3467 O HOH A 289 46.561 25.540 29.494 1.00 46.46 O HETATM 3470 O HOH A 290 46.278 6.217 60.898 1.00 50.43 O HETATM 3473 O HOH A 291 41.620 0.161 45.514 1.00 25.46 O HETATM 3476 O HOH A 292 32.935 6.623 52.598 1.00 47.15 O HETATM 3479 O HOH A 293 40.962 -2.043 43.416 1.00 34.30 O HETATM 3482 O HOH A 294 27.204 10.356 30.333 1.00 32.89 O HETATM 3485 O HOH A 295 27.697 13.673 26.612 1.00 29.59 O HETATM 3488 O HOH A 296 44.805 0.893 38.366 1.00 55.44 O HETATM 3491 O HOH A 297 34.244 7.008 59.480 1.00 47.77 O HETATM 3494 O HOH A 298 39.491 27.578 62.465 1.00 39.91 O HETATM 3497 O HOH A 299 53.867 19.339 29.558 1.00 12.59 O HETATM 3500 O HOH A 300 25.391 8.911 31.793 1.00 26.64 O HETATM 3503 O HOH A 301 34.843 1.088 49.118 1.00 44.39 O HETATM 3506 O HOH A 302 58.777 5.038 50.959 1.00 47.25 O HETATM 3509 O HOH A 304 33.292 9.011 57.822 1.00 49.26 O HETATM 3512 O HOH A 305 30.963 23.211 59.144 1.00 34.59 O HETATM 3515 O HOH A 306 40.280 5.067 63.796 1.00 41.16 O HETATM 3518 O HOH A 307 29.301 7.136 35.062 1.00 39.17 O HETATM 3521 O HOH A 308 51.191 15.473 23.160 1.00 47.43 O HETATM 3524 O HOH A 309 53.716 12.383 31.375 1.00 24.75 O HETATM 3527 O HOH A 310 24.425 8.543 34.530 1.00 30.86 O HETATM 3530 O HOH A 311 63.563 8.575 38.330 1.00 63.20 O HETATM 3533 O HOH A 312 44.167 2.632 42.384 1.00 39.63 O HETATM 3536 O HOH A 313 23.746 15.914 46.715 1.00 31.71 O HETATM 3539 O HOH A 314 36.288 27.575 47.208 1.00 37.10 O HETATM 3542 O HOH A 316 57.270 14.164 51.764 1.00 39.19 O HETATM 3545 O HOH A 317 24.268 28.707 52.468 1.00 64.00 O HETATM 3548 O HOH A 318 26.575 24.796 55.111 1.00 52.99 O HETATM 3551 O HOH A 319 52.986 24.005 53.865 1.00 51.69 O HETATM 3554 O HOH A 320 32.657 6.297 62.815 1.00 49.92 O HETATM 3557 O HOH A 321 32.193 28.152 44.197 1.00 20.34 O HETATM 3560 O HOH A 322 32.087 15.810 25.749 1.00 43.05 O HETATM 3563 O HOH A 323 46.673 8.227 26.330 1.00 31.59 O HETATM 3566 O HOH A 325 42.308 16.267 52.633 1.00 25.66 O HETATM 3569 O HOH A 327 40.920 27.026 42.382 1.00 51.33 O HETATM 3572 O HOH A 328 41.929 -1.739 32.074 1.00 57.53 O HETATM 3575 O HOH A 329 36.075 -1.544 36.367 1.00 54.18 O HETATM 3578 O HOH A 330 54.104 8.182 30.584 1.00 52.32 O HETATM 3581 O HOH A 331 37.157 25.138 56.632 0.50 41.43 O HETATM 3584 O HOH A 333 38.173 25.513 56.780 0.50 50.23 O HETATM 3587 O HOH A 334 35.092 -1.374 39.432 1.00 61.76 O HETATM 3590 O HOH A 335 36.096 30.319 58.624 1.00 36.16 O HETATM 3593 O HOH A 336 37.602 27.609 49.780 1.00 62.73 O HETATM 3596 O HOH A 337 41.349 23.522 51.054 1.00 21.94 O HETATM 3599 O HOH A 338 26.080 17.056 59.125 1.00 47.99 O HETATM 3602 O HOH A 339 25.296 14.872 61.139 1.00 52.37 O HETATM 3605 O HOH A 340 22.028 18.230 58.416 1.00 58.12 O HETATM 3608 O HOH A 341 27.528 24.528 35.008 1.00 44.13 O HETATM 3611 O HOH A 342 26.583 27.394 32.030 1.00 37.03 O HETATM 3614 O HOH A 344 36.413 25.698 33.620 1.00 53.60 O HETATM 3617 O HOH A 345 33.819 27.100 29.847 1.00 48.83 O HETATM 3620 O HOH A 346 38.991 31.467 37.674 1.00 45.86 O HETATM 3623 O HOH A 348 31.505 25.228 60.935 1.00 27.21 O HETATM 3626 O HOH A 349 29.814 27.658 60.077 1.00 27.30 O HETATM 3629 O HOH A 351 36.704 30.007 55.857 1.00 19.27 O HETATM 3632 O HOH A 352 34.000 26.379 62.981 1.00 56.73 O HETATM 3635 O HOH A 355 51.383 -2.458 29.404 1.00 40.52 O HETATM 3638 O HOH A 356 46.636 -0.268 25.337 1.00 53.99 O HETATM 3641 O HOH A 357 40.527 2.052 36.682 0.97 46.45 O HETATM 3644 O HOH A 358 38.414 2.547 31.738 1.00 35.36 O HETATM 3647 O HOH A 359 56.646 8.610 54.745 1.00 44.42 O HETATM 3650 O HOH A 362 30.695 3.975 38.119 1.00 44.68 O HETATM 3653 O HOH A 365 63.220 15.302 42.524 1.00 54.52 O HETATM 3656 O HOH A 370 47.930 4.231 61.993 1.00 52.41 O HETATM 3659 O HOH A 373 37.535 -1.636 58.724 1.00 29.29 O HETATM 3662 O HOH A 374 41.773 -2.150 54.253 1.00 50.85 O HETATM 3665 O HOH A 375 61.265 6.624 50.893 1.00 53.76 O HETATM 3668 O HOH A 376 23.381 12.579 45.885 1.00 36.16 O HETATM 3671 O HOH A 378 45.253 18.027 57.503 1.00 36.46 O HETATM 3674 O HOH A 380 44.268 -1.836 71.151 1.00 31.14 O HETATM 3677 O HOH A 381 41.341 -1.357 71.628 1.00 42.50 O HETATM 3680 O HOH A 383 57.060 29.589 59.759 1.00 49.23 O HETATM 3683 O HOH A 384 42.148 -0.089 48.988 1.00 59.04 O HETATM 3686 O HOH A 385 48.337 26.057 55.495 1.00 61.25 O HETATM 3689 O HOH A 387 58.215 10.770 51.620 1.00 52.89 O HETATM 3692 O HOH A 390 30.629 13.044 59.945 1.00 36.09 O HETATM 3695 O HOH A 392 57.175 12.822 57.039 1.00 60.04 O HETATM 3698 O HOH A 394 38.361 31.729 40.828 1.00 55.99 O HETATM 3701 O HOH A 395 62.077 19.643 28.984 1.00 28.77 O HETATM 3704 O HOH A 396 32.687 5.508 36.910 1.00 34.80 O HETATM 3707 O HOH A 397 34.916 25.634 59.342 1.00 45.84 O HETATM 3710 O HOH A 398 59.214 7.367 35.289 1.00 44.50 O HETATM 3713 O HOH A 400 24.336 20.647 52.907 1.00 49.95 O HETATM 3716 O HOH A 401 22.667 30.413 59.589 1.00 39.51 O HETATM 3719 O HOH A 403 58.524 13.434 48.395 1.00 56.00 O HETATM 3722 O HOH A 404 18.074 32.336 59.922 1.00 43.91 O HETATM 3725 O HOH A 405 61.468 11.523 43.242 1.00 60.92 O HETATM 3728 O HOH A 406 17.096 24.398 60.208 1.00 42.24 O HETATM 3731 O HOH A 408 57.260 12.630 23.547 1.00 55.18 O HETATM 3734 O HOH A 413 45.320 28.929 53.286 1.00 53.17 O HETATM 3737 O HOH A 415 46.796 29.805 46.960 1.00 56.57 O HETATM 3740 O HOH A 416 38.284 27.949 59.366 1.00 56.91 O HETATM 3743 O HOH A 423 26.117 0.291 39.302 1.00 54.38 O HETATM 3746 O HOH A 425 47.269 3.893 64.626 1.00 61.51 O HETATM 3749 O HOH A 429 38.736 5.299 67.273 1.00 57.91 O HETATM 3752 O HOH A 432 41.537 18.828 70.491 1.00 64.02 O HETATM 3755 O HOH A 434 42.269 3.847 69.771 1.00 56.40 O HETATM 3758 O HOH A 435 41.869 3.796 66.995 1.00 62.95 O HETATM 3761 O HOH A 436 41.298 16.932 72.673 1.00 61.85 O HETATM 3764 O HOH A 437 60.185 8.788 52.298 1.00 65.82 O HETATM 3767 O HOH A 439 24.727 30.576 55.852 1.00 60.61 O HETATM 3770 O HOH A 440 20.006 29.677 59.259 1.00 36.30 O HETATM 3773 O HOH A 442 22.392 23.914 51.747 1.00 51.29 O HETATM 3776 O HOH A 443 18.171 26.881 54.445 1.00 58.52 O HETATM 3779 O HOH A 445 36.193 31.044 43.276 1.00 66.14 O HETATM 3782 O HOH A 446 40.694 31.351 34.985 1.00 53.37 O HETATM 3785 O HOH A 447 44.131 27.753 30.575 1.00 61.08 O HETATM 3788 O HOH A 448 23.674 24.216 31.210 1.00 64.90 O HETATM 3791 O HOH A 449 35.711 5.545 68.037 1.00 55.28 O HETATM 3794 O HOH A 452 48.192 24.241 52.758 1.00 42.39 O HETATM 3797 O HOH A 453 60.187 13.951 42.490 1.00 52.09 O HETATM 3800 O HOH A 456 60.692 11.354 47.864 1.00 64.18 O HETATM 3803 O HOH A 457 62.190 14.233 50.280 1.00 43.04 O HETATM 3806 O HOH A 466 27.333 29.963 56.494 1.00 56.11 O HETATM 3809 O HOH A 479 54.013 21.533 30.874 1.00 46.09 O HETATM 3812 O HOH A 489 17.934 18.639 31.593 1.00 51.71 O HETATM 3815 O HOH A 490 49.916 0.776 41.060 1.00 62.37 O HETATM 3818 O HOH A 500 65.196 3.193 26.739 1.00 55.78 O HETATM 3821 O HOH A 501 24.072 9.031 46.444 1.00 57.97 O HETATM 3824 O HOH A 505 48.034 0.790 33.869 1.00 56.62 O HETATM 3827 O HOH A 512 26.536 22.652 58.038 1.00 47.75 O HETATM 3830 O HOH A 523 46.141 2.223 40.679 1.00 43.15 O HETATM 3833 O HOH A 524 49.183 8.462 20.522 1.00 60.74 O HETATM 3836 O HOH A 532 46.607 30.798 44.352 1.00 48.21 O HETATM 3839 O HOH A 533 38.336 18.983 21.693 1.00 62.57 O HETATM 3842 O HOH A 536 31.829 31.817 47.493 1.00 33.15 O HETATM 3845 O HOH A 538 22.697 6.140 43.583 1.00 51.87 O HETATM 3848 O HOH A 542 33.739 1.925 62.064 1.00 48.58 O HETATM 3851 O HOH A 547 31.638 5.696 58.511 1.00 50.43 O HETATM 3854 O HOH A 550 24.593 6.750 49.249 1.00 54.12 O HETATM 3857 O HOH A 553 23.536 33.855 58.864 1.00 48.44 O HETATM 3860 O HOH A 580 40.785 -0.080 34.101 1.00 51.21 O HETATM 3863 O HOH A 582 19.474 20.852 25.923 1.00 52.89 O HETATM 3866 O HOH A 584 27.060 10.890 63.903 1.00 47.62 O HETATM 3869 O HOH A 590 26.499 -2.292 37.091 1.00 59.96 O HETATM 3872 O HOH A 594 31.921 -1.461 36.086 1.00 57.31 O HETATM 3875 O HOH A 595 12.760 15.171 47.694 1.00 55.45 O HETATM 3878 O HOH A 598 29.945 29.623 57.529 1.00 53.12 O HETATM 3881 O HOH A 604 26.486 34.379 51.025 1.00 67.71 O HETATM 3884 O HOH A 605 40.659 26.599 68.673 1.00 58.34 O HETATM 3887 O HOH A 612 62.169 16.718 44.540 1.00 61.06 O HETATM 3890 O HOH A 620 15.579 18.354 47.804 1.00 52.06 O HETATM 3893 O HOH A 621 34.900 31.832 46.100 1.00 56.01 O HETATM 3896 O HOH A 634 64.669 10.259 40.413 1.00 57.75 O HETATM 3899 O HOH A 648 29.519 34.786 57.797 1.00 53.85 O HETATM 3902 O HOH A 658 45.161 4.041 18.928 1.00 49.83 O HETATM 3905 O HOH A 684 19.282 4.818 40.270 1.00 41.72 O HETATM 3908 O HOH A 690 51.259 6.912 21.450 1.00 53.56 O HETATM 3911 O HOH A 693 57.501 4.811 54.996 0.50 45.93 O HETATM 3914 O HOH A 705 63.104 10.491 54.910 1.00 51.64 O HETATM 3917 O HOH A 708 58.232 7.560 50.232 1.00 44.70 O HETATM 3920 O HOH A 715 52.872 27.173 55.174 0.50 50.47 O HETATM 3923 O HOH A 716 52.856 25.688 56.438 0.50 65.06 O HETATM 3926 O HOH A 720 44.145 24.393 56.307 1.00 43.20 O HETATM 3929 O HOH A 724 27.312 37.257 52.456 1.00 57.31 O HETATM 3932 O HOH A 732 33.921 26.785 33.876 1.00 44.86 O HETATM 3935 O HOH A 735 22.426 21.633 26.797 0.50 44.72 O HETATM 3938 O HOH A 736 21.804 20.628 24.978 0.50 53.05 O HETATM 3941 O HOH A 741 34.310 7.241 55.140 1.00 54.88 O HETATM 3944 O HOH A 749 55.825 1.543 27.205 1.00 53.93 O HETATM 3947 O HOH A 753 36.231 32.702 40.210 1.00 53.04 O HETATM 3950 O HOH A 757 53.138 6.871 18.243 1.00 50.66 O HETATM 3953 O HOH A 762 26.215 14.946 24.522 1.00 41.52 O HETATM 3956 O HOH A 766 19.749 29.014 55.814 1.00 54.94 O HETATM 3959 O HOH A 779 63.263 0.431 33.884 1.00 55.46 O HETATM 3962 O HOH A 780 61.551 3.103 33.323 1.00 58.02 O HETATM 3965 O HOH A 781 57.236 1.457 35.780 1.00 61.81 O HETATM 3968 O HOH A 782 60.582 1.443 35.463 1.00 48.20 O HETATM 3971 O HOH A 783 20.170 5.740 37.713 1.00 52.31 O HETATM 3974 O HOH A 784 21.468 2.658 39.841 1.00 48.96 O HETATM 3977 O HOH A 785 43.034 19.923 73.024 0.50 62.73 O HETATM 3980 O HOH A 787 15.586 14.992 46.223 1.00 59.97 O HETATM 3983 O HOH A 788 15.818 13.776 43.738 1.00 56.49 O HETATM 3986 O HOH A 789 18.224 15.358 46.319 1.00 52.11 O HETATM 3989 O HOH A 790 17.787 12.834 47.540 1.00 53.01 O HETATM 3992 O HOH A 791 18.665 13.890 43.799 1.00 55.69 O HETATM 3995 O HOH A 792 17.934 11.343 44.949 1.00 55.54 O HETATM 3998 O HOH A 793 19.412 11.844 42.029 1.00 61.79 O HETATM 4001 O HOH A 794 21.368 15.835 49.008 1.00 49.07 O HETATM 4004 O HOH A 795 20.378 18.844 51.683 1.00 46.73 O HETATM 4007 O HOH A 796 19.400 20.043 49.440 1.00 55.56 O HETATM 4010 O HOH A 797 41.348 23.859 19.657 1.00 65.32 O HETATM 4013 O HOH A 798 38.213 25.364 16.899 1.00 49.66 O HETATM 4016 O HOH A 799 53.460 5.531 24.086 1.00 49.77 O HETATM 4019 O HOH A 800 56.142 5.336 22.837 1.00 52.54 O HETATM 4022 O HOH A 801 57.681 2.306 55.894 1.00 51.60 O HETATM 4025 O HOH A 802 46.526 27.861 49.819 1.00 48.17 O HETATM 4028 O HOH A 803 55.465 2.499 24.542 1.00 53.77 O HETATM 4031 O HOH A 804 52.980 1.979 22.885 1.00 51.27 O HETATM 4034 O HOH A 805 36.170 30.419 48.102 1.00 50.76 O HETATM 4037 O HOH A 806 24.466 1.939 40.834 1.00 55.11 O HETATM 4040 O HOH A 807 15.494 15.676 48.938 1.00 48.68 O CONECT 92 2051 CONECT 200 3303 CONECT 361 595 CONECT 582 3304 CONECT 595 361 CONECT 793 3302 CONECT 816 3302 CONECT 863 3302 CONECT 936 3302 CONECT 1667 3078 CONECT 1746 2678 CONECT 1792 3303 CONECT 2051 92 CONECT 2209 2421 CONECT 2421 2209 CONECT 2562 2866 CONECT 2594 3303 CONECT 2608 3304 CONECT 2678 1746 CONECT 2866 2562 CONECT 3078 1667 CONECT 3302 793 816 863 936 CONECT 3302 3413 3524 CONECT 3303 200 1792 2594 3353 CONECT 3304 582 2608 3317 3329 CONECT 3305 3318 3331 3794 CONECT 3306 3307 3311 3312 CONECT 3307 3306 3308 3332 CONECT 3308 3307 3309 3333 CONECT 3309 3308 3310 3317 CONECT 3310 3309 3311 3318 CONECT 3311 3306 3310 3334 CONECT 3312 3306 3315 3316 CONECT 3313 3314 3317 3318 CONECT 3314 3313 3326 3331 CONECT 3315 3312 3335 3336 CONECT 3316 3312 3337 3338 CONECT 3317 3304 3309 3313 CONECT 3318 3305 3310 3313 CONECT 3319 3320 3324 3325 CONECT 3320 3319 3321 3339 CONECT 3321 3320 3322 3340 CONECT 3322 3321 3323 3329 CONECT 3323 3322 3324 3330 CONECT 3324 3319 3323 3341 CONECT 3325 3319 3327 3328 CONECT 3326 3314 3329 3330 CONECT 3327 3325 3342 3343 CONECT 3328 3325 3344 3345 CONECT 3329 3304 3322 3326 CONECT 3330 3323 3326 3346 CONECT 3331 3305 3314 CONECT 3332 3307 CONECT 3333 3308 CONECT 3334 3311 CONECT 3335 3315 CONECT 3336 3315 CONECT 3337 3316 CONECT 3338 3316 CONECT 3339 3320 CONECT 3340 3321 CONECT 3341 3324 CONECT 3342 3327 CONECT 3343 3327 CONECT 3344 3328 CONECT 3345 3328 CONECT 3346 3330 CONECT 3353 3303 CONECT 3413 3302 CONECT 3524 3302 CONECT 3794 3305 END