USER MOD reduce.3.24.130724 H: found=0, std=0, add=1673, rem=0, adj=75 USER MOD reduce.3.24.130724 removed 2049 hydrogens (385 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2K 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 5-AMIDINO-BENZIMIDAZOLE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS ZN(II)-MEDIATED SERINE PROTEASE INHIBITORS, PH DEPENDENCE, KEYWDS 2 ZN(II) AFFINITY STUCTURE-BASED DRUG DESIGN, SERINE KEYWDS 3 PROTEASE/INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.A.KATZ,C.LUONG REVDAT 4 02-MAR-10 1C2K 1 REMARK HETATM REVDAT 3 24-FEB-09 1C2K 1 VERSN REVDAT 2 26-SEP-01 1C2K 3 ATOM REVDAT 1 26-JUL-00 1C2K 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) (%) : 68.0 REMARK 3 NUMBER OF REFLECTIONS : 15836 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) : 0.202 REMARK 3 FREE R VALUE : 0.243 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1599 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.65 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.72 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 32.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 838 REMARK 3 BIN R VALUE (WORKING SET) : 0.4100 REMARK 3 BIN FREE R VALUE : 0.4580 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 96 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 : 3331 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 564 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.018 REMARK 3 BOND ANGLES (DEGREES) : 3.90 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.50 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_KBZN385.PRO REMARK 3 PARAMETER FILE 2 : PARAM11_UCSF.WAT REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPALLH6X_KBZN385.PRO REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT TERMS INCLUDED IN FOB REMARK 3 FILE CREATED WITH STANDARD X-PLOR SCRIPT. REMARK 4 REMARK 4 1C2K 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 RCSB001257. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 13-JAN-97 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 3.85 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 : 17380 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.450 REMARK 200 RESOLUTION RANGE LOW (A) : 43.580 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.200 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 68.0 REMARK 200 DATA REDUNDANCY : 2.900 REMARK 200 R MERGE (I) : 0.08200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 6.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.72 REMARK 200 COMPLETENESS FOR SHELL (%) : 32.8 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.27000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER PLUS REMARK 200 REFINEMENT REMARK 200 SOFTWARE USED: X-PLOR, QUANTA, INSIGHTII REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.03 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 REMARK 280 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO: CRYSTALLIZATION SOLUTION REMARK 280 WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED TO REMARK 280 SYNTHETIC MOTHER LIQUOR CONTAINING 2.11 M ZN(II), PH 3.85 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. UNDER REMARK 280 THIS CONDITION KETO-BABIM UNDERGOES DECOMPOSITION TO 5- REMARK 280 AMIDINO-BENZIMIDAZOLE. 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 36.31000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 72.62000 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 72.62000 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 36.31000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 HIS91 IS MONOPROTONATED ON THE EPSILON NITROGEN. REMARK 400 HIS40 IS ESENTIALLY ALL MONOPROTONATED ON ND1, REMARK 400 COORDINATING ZN+2 THROUGH NE2. REMARK 400 HIS57 HAS A MONOPROTONATED COMPONENT (ON ND1), REMARK 400 COORDINATING ZN+2 THROUGH NE2, AND DIPROTONATED COMPONENT REMARK 400 (NOT RESOLVED). 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 HD22 ASN A 48 H GLN A 50 1.48 REMARK 500 HH12 ARG A 66 H2 HOH A 268 1.49 REMARK 500 OG SER A 49 H2 HOH A 286 1.53 REMARK 500 HD21 ASN A 100 HD22 ASN A 179 1.53 REMARK 500 OE1 GLN A 210 H1 HOH A 301 1.56 REMARK 500 O GLN A 210 H2 HOH A 281 1.57 REMARK 500 O THR A 144 H2 HOH A 316 1.59 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 91 NE2 HIS A 91 CD2 -0.083 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. = -7.6 DEGREES REMARK 500 TRP A 51 CD1 - NE1 - CE2 ANGL. DEV. = 9.7 DEGREES REMARK 500 TRP A 51 NE1 - CE2 - CZ2 ANGL. DEV. = 7.3 DEGREES REMARK 500 TRP A 141 CG - CD1 - NE1 ANGL. DEV. = -7.9 DEGREES REMARK 500 TRP A 141 CD1 - NE1 - CE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CZ2 ANGL. DEV. = 9.5 DEGREES REMARK 500 TRP A 141 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 215 CG - CD1 - NE1 ANGL. DEV. = -6.8 DEGREES REMARK 500 TRP A 215 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES REMARK 500 TRP A 215 NE1 - CE2 - CZ2 ANGL. DEV. = 6.6 DEGREES REMARK 500 TRP A 237 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES REMARK 500 TRP A 237 CD1 - NE1 - CE2 ANGL. DEV. = 8.5 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 ASN A 25 55.24 28.83 REMARK 500 ASP A 71 -61.60 -127.53 REMARK 500 ASN A 115 -158.00 -151.81 REMARK 500 ASP A 189 170.21 179.45 REMARK 500 ASP A 194 -6.05 -57.60 REMARK 500 SER A 214 -59.62 -124.02 REMARK 500 ALA A 221A 36.10 26.38 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 0.15 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 308 DISTANCE = 8.98 ANGSTROMS REMARK 525 HOH A 340 DISTANCE = 5.33 ANGSTROMS REMARK 525 HOH A 349 DISTANCE = 5.71 ANGSTROMS REMARK 525 HOH A 353 DISTANCE = 5.38 ANGSTROMS REMARK 525 HOH A 401 DISTANCE = 8.11 ANGSTROMS REMARK 525 HOH A 406 DISTANCE = 12.23 ANGSTROMS REMARK 525 HOH A 412 DISTANCE = 8.16 ANGSTROMS REMARK 525 HOH A 415 DISTANCE = 5.00 ANGSTROMS REMARK 525 HOH A 417 DISTANCE = 17.34 ANGSTROMS REMARK 525 HOH A 491 DISTANCE = 6.93 ANGSTROMS REMARK 525 HOH A 502 DISTANCE = 7.24 ANGSTROMS REMARK 525 HOH A 512 DISTANCE = 5.73 ANGSTROMS REMARK 525 HOH A 529 DISTANCE = 5.79 ANGSTROMS REMARK 525 HOH A 530 DISTANCE = 6.34 ANGSTROMS REMARK 525 HOH A 532 DISTANCE = 8.14 ANGSTROMS REMARK 525 HOH A 534 DISTANCE = 5.49 ANGSTROMS REMARK 525 HOH A 544 DISTANCE = 7.27 ANGSTROMS REMARK 525 HOH A 545 DISTANCE = 6.21 ANGSTROMS REMARK 525 HOH A 547 DISTANCE = 6.33 ANGSTROMS REMARK 525 HOH A 550 DISTANCE = 6.88 ANGSTROMS REMARK 525 HOH A 579 DISTANCE = 20.50 ANGSTROMS REMARK 525 HOH A 583 DISTANCE = 19.42 ANGSTROMS REMARK 525 HOH A 588 DISTANCE = 12.04 ANGSTROMS REMARK 525 HOH A 600 DISTANCE = 7.30 ANGSTROMS REMARK 525 HOH A 602 DISTANCE = 5.78 ANGSTROMS REMARK 525 HOH A 610 DISTANCE = 6.59 ANGSTROMS REMARK 525 HOH A 614 DISTANCE = 8.78 ANGSTROMS REMARK 525 HOH A 615 DISTANCE = 8.02 ANGSTROMS REMARK 525 HOH A 617 DISTANCE = 7.11 ANGSTROMS REMARK 525 HOH A 618 DISTANCE = 10.38 ANGSTROMS REMARK 525 HOH A 619 DISTANCE = 8.41 ANGSTROMS REMARK 525 HOH A 621 DISTANCE = 9.38 ANGSTROMS REMARK 525 HOH A 622 DISTANCE = 8.59 ANGSTROMS REMARK 525 HOH A 623 DISTANCE = 5.41 ANGSTROMS REMARK 525 HOH A 625 DISTANCE = 10.07 ANGSTROMS REMARK 525 HOH A 626 DISTANCE = 7.21 ANGSTROMS REMARK 525 HOH A 627 DISTANCE = 7.88 ANGSTROMS REMARK 525 HOH A 628 DISTANCE = 10.58 ANGSTROMS REMARK 525 HOH A 629 DISTANCE = 8.88 ANGSTROMS REMARK 525 HOH A 630 DISTANCE = 10.93 ANGSTROMS REMARK 525 HOH A 632 DISTANCE = 10.53 ANGSTROMS REMARK 525 HOH A 633 DISTANCE = 6.12 ANGSTROMS REMARK 525 HOH A 634 DISTANCE = 5.58 ANGSTROMS REMARK 525 HOH A 635 DISTANCE = 9.19 ANGSTROMS REMARK 525 HOH A 636 DISTANCE = 11.16 ANGSTROMS REMARK 525 HOH A 643 DISTANCE = 10.79 ANGSTROMS REMARK 525 HOH A 655 DISTANCE = 10.82 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 247 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 80 OE2 REMARK 620 2 GLU A 70 OE2 100.9 REMARK 620 3 ASN A 72 O 172.7 77.9 REMARK 620 4 VAL A 75 O 103.1 153.1 79.7 REMARK 620 5 HOH A 271 O 89.5 79.4 97.2 88.9 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 258 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ABI A 246 N3 REMARK 620 2 SER A 195 OG 101.5 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 261 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY A 193 O REMARK 620 2 CL A 250 CL 106.4 REMARK 620 3 HIS A 40 NE2 129.4 96.0 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 247 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 250 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 258 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 261 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ABI A 246 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RELATED ID: 1C2F RELATED DB: PDB REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RELATED ID: 1C2M RELATED DB: PDB REMARK 900 RELATED ID: 1C1N RELATED DB: PDB REMARK 900 RELATED ID: 1C1O RELATED DB: PDB REMARK 900 RELATED ID: 1C1P RELATED DB: PDB REMARK 900 RELATED ID: 1C1Q RELATED DB: PDB REMARK 900 RELATED ID: 1C1R RELATED DB: PDB REMARK 900 RELATED ID: 1C1S RELATED DB: PDB REMARK 900 RELATED ID: 1C1T RELATED DB: PDB REMARK 900 RELATED ID: 1C1U RELATED DB: PDB REMARK 900 RELATED ID: 1C1V RELATED DB: PDB REMARK 900 RELATED ID: 1C1W RELATED DB: PDB REMARK 900 RELATED ID: 1C2J RELATED DB: PDB DBREF 1C2K A 16 245 UNP P00760 TRY1_BOVIN 21 243 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 247 1 HET CL A 250 1 HET ZN A 258 1 HET ZN A 261 1 HET ABI A 246 21 HETNAM CA CALCIUM ION HETNAM CL CHLORIDE ION HETNAM ZN ZINC ION HETNAM ABI 5-AMIDINO-BENZIMIDAZOLE FORMUL 2 CA CA 2+ FORMUL 3 CL CL 1- FORMUL 4 ZN 2(ZN 2+) FORMUL 6 ABI C8 H9 N4 1+ FORMUL 7 HOH *188(H2 O) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 TYR A 234 SER A 244 1 11 SHEET 1 A 7 TYR A 20 THR A 21 0 SHEET 2 A 7 LYS A 156 PRO A 161 -1 N CYS A 157 O TYR A 20 SHEET 3 A 7 GLN A 135 GLY A 140 -1 N CYS A 136 O ALA A 160 SHEET 4 A 7 PRO A 198 CYS A 201 -1 O PRO A 198 N SER A 139 SHEET 5 A 7 LYS A 204 TRP A 215 -1 N LYS A 204 O CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 B 7 GLN A 30 ASN A 34 -1 N VAL A 31 O GLY A 44 SHEET 4 B 7 GLN A 64 LEU A 67 -1 O GLN A 64 N ASN A 34 SHEET 5 B 7 GLN A 81 VAL A 90 -1 O GLN A 81 N LEU A 67 SHEET 6 B 7 MET A 104 LEU A 108 -1 N LEU A 105 O ILE A 89 SHEET 7 B 7 TRP A 51 SER A 54 -1 O VAL A 52 N ILE A 106 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.02 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.05 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.04 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.01 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.00 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.02 LINK CA CA A 247 OE2 GLU A 80 1555 1555 2.19 LINK CA CA A 247 OE2 GLU A 70 1555 1555 2.25 LINK CA CA A 247 O ASN A 72 1555 1555 2.67 LINK CA CA A 247 O VAL A 75 1555 1555 2.16 LINK CA CA A 247 O HOH A 271 1555 1555 2.51 LINK ZN ZN A 258 N3 ABI A 246 1555 1555 2.42 LINK ZN ZN A 258 OG SER A 195 1555 1555 2.13 LINK ZN ZN A 261 O GLY A 193 1555 1555 2.12 LINK ZN ZN A 261 CL CL A 250 1555 1555 2.28 LINK ZN ZN A 261 NE2 HIS A 40 1555 1555 2.43 SITE *** AC1 6 GLU A 70 ASN A 72 VAL A 75 VAL A 76 SITE *** AC1 6 GLU A 80 HOH A 271 SITE *** AC2 6 HIS A 40 GLY A 140 TRP A 141 GLY A 193 SITE *** AC2 6 ASP A 194 ZN A 261 SITE *** AC3 3 HIS A 57 SER A 195 ABI A 246 SITE *** AC4 4 HIS A 40 GLY A 193 ASP A 194 CL A 250 SITE *** AC5 13 ASP A 189 SER A 190 GLN A 192 SER A 195 SITE *** AC5 13 TRP A 215 GLY A 216 GLY A 219 CYS A 220 SITE *** AC5 13 GLY A 226 ZN A 258 HOH A 260 HOH A 325 SITE *** AC5 13 HOH A 378 CRYST1 54.910 54.910 108.930 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 0.018212 0.010514 0.000000 0.00000 SCALE2 0.000000 0.021029 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009180 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 190 SER OG : rot -110:sc= 1.06 USER MOD Set 1.2: A 228 TYR OH : rot -174:sc= 2.25 USER MOD Set 2.1: A 146 SER OG : rot 84:sc= 0.144 USER MOD Set 2.2: A 221 GLN : amide:sc= -0.131 X(o=0.013,f=-0.02) USER MOD Set 3.1: A 164 SER OG : rot -18:sc= 0.943 USER MOD Set 3.2: A 166 SER OG : rot 180:sc= 0.00408 USER MOD Set 3.3: A 167 SER OG : rot 1:sc= 1.72 USER MOD Set 4.1: A 30 GLN :FLIP amide:sc= 1.02 F(o=-3.7!,f=2.4) USER MOD Set 4.2: A 139 SER OG : rot 119:sc= 1.37 USER MOD Set 5.1: A 100 ASN :FLIP amide:sc= 1.03 F(o=-3.5,f=3.8) USER MOD Set 5.2: A 101 ASN :FLIP amide:sc= 1.05 F(o=2.8,f=3.8) USER MOD Set 5.3: A 177 THR OG1 : rot -174:sc= 1.32 USER MOD Set 5.4: A 179 ASN : amide:sc= 0.24 K(o=3.8,f=1.2) USER MOD Set 5.5: A 180 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 5.6: A 233 ASN : amide:sc= 0.214 K(o=3.8,f=1.6!) USER MOD Set 5.7: A 234 TYR OH : rot 23:sc= -0.0247 USER MOD Set 6.1: A 88 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 104 MET CE B:methyl -143:sc= -2! (180deg=-4.53!) USER MOD Set 7.1: A 87 LYS NZ A:NH3+ -163:sc= 0.317 (180deg=0) USER MOD Set 7.2: A 245 ASN : amide:sc= 0.724 K(o=1,f=-2.7) USER MOD Set 8.1: A 37 SER OG : rot -89:sc= 0.593 USER MOD Set 8.2: A 39 TYR OH : rot 30:sc= 0.536 USER MOD Set 8.3: A 60 LYS NZ :NH3+ -135:sc= 0.808 (180deg=0.0073) USER MOD Set 9.1: A 32 SER OG : rot -143:sc= 2.18 USER MOD Set 9.2: A 40 HIS : no HE2:sc= 1.18 K(o=3.4,f=-7!) USER MOD Set10.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set10.2: A 156 LYS NZ :NH3+ 162:sc= -0.113 (180deg=-0.63) USER MOD Set11.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set11.2: A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0.942 USER MOD Single : A 34 ASN : amide:sc= 0.576 K(o=0.58,f=-2!) USER MOD Single : A 45 SER OG : rot 1:sc= -1.62! USER MOD Single : A 48 ASN :FLIP amide:sc= -0.273 F(o=-8.3!,f=-0.27) USER MOD Single : A 49 SER OG : rot -114:sc= 1.44 USER MOD Single : A 50 GLN : amide:sc= 0.89 K(o=0.89,f=0.072) USER MOD Single : A 54 SER OG : rot 95:sc= 0.849 USER MOD Single : A 57 HIS : no HE2:sc= -2.33! C(o=-2.3!,f=-7.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.24 K(o=0.24,f=-4.4!) USER MOD Single : A 72 ASN : amide:sc= -0.495 K(o=-0.5,f=-10!) USER MOD Single : A 74 ASN : amide:sc= 0.347 K(o=0.35,f=-0.88) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.63 F(o=-2.3!,f=-1.6) USER MOD Single : A 81 GLN : amide:sc= 0.664 K(o=0.66,f=-4.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00814 USER MOD Single : A 87 LYS NZ B:NH3+ 146:sc= -1.57 (180deg=-3.5!) USER MOD Single : A 91 HIS : no HD1:sc= 1.15 K(o=1.1,f=-4.3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -13:sc= 1.08 USER MOD Single : A 95 ASN : amide:sc= -0.424 K(o=-0.42,f=-7.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0365 F(o=-0.56,f=-0.036) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 104 MET CE A:methyl -118:sc= -0.0905 (180deg=-0.736) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0.831 (180deg=0.808) 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= -0.461 K(o=-0.46,f=-12!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 120 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 134 THR OG1 : rot 99:sc= 0.213 USER MOD Single : A 135 GLN : amide:sc= -0.986 X(o=-0.99,f=-1.4) USER MOD Single : A 143 ASN : amide:sc= 0.491 K(o=0.49,f=-8.8!) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 145 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0343) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 169 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 SER OG A: rot -98:sc= 1.87 USER MOD Single : A 170 SER OG B: rot 91:sc= 1.31 USER MOD Single : A 172 TYR OH : rot 11:sc= 0.558 USER MOD Single : A 175 GLN : amide:sc=-0.000577 X(o=-0.00058,f=-0.24) USER MOD Single : A 178 SER OG : rot -102:sc= 0.0208 USER MOD Single : A 184 TYR OH : rot 6:sc= 0.701 USER MOD Single : A 188 LYS NZ :NH3+ -167:sc= 0.00403 (180deg=-0.0329) USER MOD Single : A 192 GLN A: amide:sc= -0.0211 K(o=-0.021,f=-0.67) USER MOD Single : A 192 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 GLN :FLIP amide:sc= 1.92 F(o=0.94,f=1.9) USER MOD Single : A 214 SER OG : rot 69:sc= 2.15 USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.0791 X(o=-0.079,f=-0.4) USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 1.03 (180deg=1.03) USER MOD Single : A 229 THR OG1 : rot -164:sc= 0.334 USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG A: rot 180:sc= 0.0289 USER MOD Single : A 236 SER OG B: rot 89:sc= 0.86 USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.12) USER MOD Single : A 241 THR OG1 : rot 89:sc= 0.781 USER MOD Single : A 244 SER OG : rot 57:sc= 0.242 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 51.931 15.732 48.056 1.00 31.67 N ATOM 2 CA ILE A 16 51.647 14.641 49.017 1.00 36.28 C ATOM 3 C ILE A 16 52.906 14.661 49.861 1.00 38.59 C ATOM 4 O ILE A 16 53.960 14.810 49.268 1.00 35.06 O ATOM 5 CB ILE A 16 51.531 13.252 48.294 1.00 37.86 C ATOM 6 CG1 ILE A 16 50.291 13.131 47.336 1.00 38.70 C ATOM 7 CG2 ILE A 16 51.540 12.051 49.284 1.00 38.71 C ATOM 8 CD1 ILE A 16 48.935 13.009 48.103 1.00 39.40 C ATOM 0 HA ILE A 16 50.815 14.759 49.502 1.00 36.28 H new ATOM 0 HB ILE A 16 52.330 13.211 47.745 1.00 37.86 H new ATOM 0 HG12 ILE A 16 50.260 13.908 46.756 1.00 38.70 H new ATOM 0 HG13 ILE A 16 50.405 12.355 46.765 1.00 38.70 H new ATOM 0 HG21 ILE A 16 51.466 11.221 48.787 1.00 38.71 H new ATOM 0 HG22 ILE A 16 52.369 12.053 49.788 1.00 38.71 H new ATOM 0 HG23 ILE A 16 50.791 12.129 49.895 1.00 38.71 H new ATOM 0 HD11 ILE A 16 48.208 12.938 47.465 1.00 39.40 H new ATOM 0 HD12 ILE A 16 48.951 12.218 48.665 1.00 39.40 H new ATOM 0 HD13 ILE A 16 48.804 13.795 48.656 1.00 39.40 H new ATOM 22 N VAL A 17 52.776 14.514 51.158 1.00 40.97 N ATOM 23 CA VAL A 17 53.983 14.526 52.015 1.00 40.64 C ATOM 24 C VAL A 17 54.040 13.056 52.530 1.00 40.71 C ATOM 25 O VAL A 17 53.008 12.440 52.745 1.00 32.90 O ATOM 26 CB VAL A 17 53.729 15.633 53.139 1.00 40.91 C ATOM 27 CG1 VAL A 17 55.009 15.889 54.006 1.00 41.31 C ATOM 28 CG2 VAL A 17 53.279 17.005 52.504 1.00 40.01 C ATOM 0 H VAL A 17 52.029 14.408 51.572 1.00 40.97 H new ATOM 0 HA VAL A 17 54.830 14.759 51.604 1.00 40.64 H new ATOM 0 HB VAL A 17 53.022 15.285 53.705 1.00 40.91 H new ATOM 0 HG11 VAL A 17 54.817 16.565 54.675 1.00 41.31 H new ATOM 0 HG12 VAL A 17 55.273 15.065 54.445 1.00 41.31 H new ATOM 0 HG13 VAL A 17 55.731 16.196 53.435 1.00 41.31 H new ATOM 0 HG21 VAL A 17 53.133 17.655 53.209 1.00 40.01 H new ATOM 0 HG22 VAL A 17 53.971 17.327 51.906 1.00 40.01 H new ATOM 0 HG23 VAL A 17 52.456 16.877 52.007 1.00 40.01 H new ATOM 38 N GLY A 18 55.241 12.576 52.685 1.00 42.85 N ATOM 39 CA GLY A 18 55.537 11.192 53.173 1.00 45.17 C ATOM 40 C GLY A 18 55.018 10.074 52.258 1.00 45.58 C ATOM 41 O GLY A 18 54.935 8.937 52.687 1.00 46.50 O ATOM 0 H GLY A 18 55.949 13.033 52.513 1.00 42.85 H new ATOM 0 HA2 GLY A 18 56.497 11.094 53.273 1.00 45.17 H new ATOM 0 HA3 GLY A 18 55.147 11.081 54.054 1.00 45.17 H new ATOM 45 N GLY A 19 54.697 10.389 51.032 1.00 43.31 N ATOM 46 CA GLY A 19 54.177 9.333 50.084 1.00 40.02 C ATOM 47 C GLY A 19 55.315 8.831 49.199 1.00 35.58 C ATOM 48 O GLY A 19 56.456 9.128 49.502 1.00 41.07 O ATOM 0 H GLY A 19 54.757 11.180 50.699 1.00 43.31 H new ATOM 0 HA2 GLY A 19 53.796 8.595 50.585 1.00 40.02 H new ATOM 0 HA3 GLY A 19 53.466 9.700 49.535 1.00 40.02 H new ATOM 52 N TYR A 20 55.068 8.100 48.150 1.00 30.41 N ATOM 53 CA TYR A 20 56.188 7.613 47.289 1.00 29.36 C ATOM 54 C TYR A 20 55.863 7.939 45.848 1.00 32.14 C ATOM 55 O TYR A 20 54.787 8.430 45.591 1.00 29.71 O ATOM 56 CB TYR A 20 56.354 6.077 47.501 1.00 29.87 C ATOM 57 CG TYR A 20 55.042 5.344 47.227 1.00 24.70 C ATOM 58 CD1 TYR A 20 54.796 4.798 45.995 1.00 26.98 C ATOM 59 CD2 TYR A 20 54.078 5.235 48.207 1.00 27.26 C ATOM 60 CE1 TYR A 20 53.614 4.150 45.751 1.00 28.45 C ATOM 61 CE2 TYR A 20 52.895 4.588 47.969 1.00 24.35 C ATOM 62 CZ TYR A 20 52.651 4.042 46.732 1.00 27.63 C ATOM 63 OH TYR A 20 51.462 3.390 46.456 1.00 36.10 O ATOM 0 H TYR A 20 54.282 7.860 47.895 1.00 30.41 H new ATOM 0 HA TYR A 20 57.024 8.045 47.523 1.00 29.36 H new ATOM 0 HB2 TYR A 20 57.047 5.739 46.913 1.00 29.87 H new ATOM 0 HB3 TYR A 20 56.643 5.902 48.410 1.00 29.87 H new ATOM 0 HD1 TYR A 20 55.434 4.867 45.322 1.00 26.98 H new ATOM 0 HD2 TYR A 20 54.234 5.608 49.045 1.00 27.26 H new ATOM 0 HE1 TYR A 20 53.459 3.778 44.913 1.00 28.45 H new ATOM 0 HE2 TYR A 20 52.258 4.518 48.643 1.00 24.35 H new ATOM 0 HH TYR A 20 50.973 3.398 47.139 1.00 36.10 H new ATOM 73 N THR A 21 56.770 7.667 44.947 1.00 34.55 N ATOM 74 CA THR A 21 56.531 7.948 43.506 1.00 34.49 C ATOM 75 C THR A 21 55.703 6.744 43.036 1.00 35.51 C ATOM 76 O THR A 21 56.163 5.619 43.111 1.00 33.11 O ATOM 77 CB THR A 21 57.891 7.999 42.789 1.00 32.80 C ATOM 78 OG1 THR A 21 58.678 8.859 43.597 1.00 32.03 O ATOM 79 CG2 THR A 21 57.779 8.663 41.391 1.00 31.81 C ATOM 0 H THR A 21 57.537 7.320 45.122 1.00 34.55 H new ATOM 0 HA THR A 21 56.079 8.788 43.330 1.00 34.49 H new ATOM 0 HB THR A 21 58.249 7.106 42.669 1.00 32.80 H new ATOM 0 HG1 THR A 21 59.445 8.934 43.263 1.00 32.03 H new ATOM 0 HG21 THR A 21 58.652 8.678 40.969 1.00 31.81 H new ATOM 0 HG22 THR A 21 57.163 8.156 40.840 1.00 31.81 H new ATOM 0 HG23 THR A 21 57.452 9.571 41.489 1.00 31.81 H new ATOM 87 N CYS A 22 54.524 7.006 42.563 0.73 36.05 N ATOM 88 CA CYS A 22 53.666 5.881 42.099 1.00 35.27 C ATOM 89 C CYS A 22 54.324 5.055 41.000 1.00 40.62 C ATOM 90 O CYS A 22 54.540 3.863 41.136 1.00 44.94 O ATOM 91 CB CYS A 22 52.363 6.467 41.599 1.00 30.64 C ATOM 92 SG CYS A 22 51.630 7.756 42.597 1.00 23.15 S ATOM 0 H CYS A 22 54.181 7.791 42.490 0.73 36.05 H new ATOM 0 HA CYS A 22 53.518 5.277 42.843 1.00 35.27 H new ATOM 0 HB2 CYS A 22 52.512 6.821 40.708 1.00 30.64 H new ATOM 0 HB3 CYS A 22 51.719 5.746 41.514 1.00 30.64 H new ATOM 97 N GLY A 23 54.614 5.727 39.925 0.62 42.90 N ATOM 98 CA GLY A 23 55.256 5.041 38.780 0.62 44.26 C ATOM 99 C GLY A 23 54.448 5.381 37.548 0.62 44.43 C ATOM 100 O GLY A 23 53.529 6.186 37.578 0.62 43.41 O ATOM 0 H GLY A 23 54.462 6.566 39.813 0.62 42.90 H new ATOM 0 HA2 GLY A 23 56.176 5.332 38.678 0.62 44.26 H new ATOM 0 HA3 GLY A 23 55.276 4.082 38.923 0.62 44.26 H new ATOM 104 N ALA A 24 54.807 4.747 36.473 0.28 45.70 N ATOM 105 CA ALA A 24 54.071 5.024 35.225 0.28 47.32 C ATOM 106 C ALA A 24 52.746 4.294 35.344 0.28 48.82 C ATOM 107 O ALA A 24 52.675 3.178 35.812 0.28 51.00 O ATOM 108 CB ALA A 24 54.847 4.481 34.007 0.28 47.35 C ATOM 0 H ALA A 24 55.443 4.171 36.417 0.28 45.70 H new ATOM 0 HA ALA A 24 53.951 5.978 35.099 0.28 47.32 H new ATOM 0 HB1 ALA A 24 54.350 4.671 33.196 0.28 47.35 H new ATOM 0 HB2 ALA A 24 55.717 4.908 33.961 0.28 47.35 H new ATOM 0 HB3 ALA A 24 54.962 3.522 34.098 0.28 47.35 H new ATOM 114 N ASN A 25 51.750 4.984 34.896 0.01 50.11 N ATOM 115 CA ASN A 25 50.329 4.516 34.873 0.01 51.02 C ATOM 116 C ASN A 25 49.866 3.517 35.934 1.00 52.57 C ATOM 117 O ASN A 25 49.349 2.467 35.605 1.00 55.61 O ATOM 118 CB ASN A 25 50.069 3.897 33.511 0.01 51.20 C ATOM 119 CG ASN A 25 50.783 4.749 32.493 0.01 51.16 C ATOM 120 OD1 ASN A 25 50.417 5.869 32.217 0.01 50.31 O ATOM 121 ND2 ASN A 25 51.837 4.283 31.895 0.01 51.53 N ATOM 0 H ASN A 25 51.847 5.776 34.575 0.01 50.11 H new ATOM 0 HA ASN A 25 49.820 5.317 35.074 0.01 51.02 H new ATOM 0 HB2 ASN A 25 50.394 2.984 33.482 0.01 51.20 H new ATOM 0 HB3 ASN A 25 49.118 3.866 33.325 0.01 51.20 H new ATOM 0 HD21 ASN A 25 52.255 4.767 31.320 0.01 51.53 H new ATOM 0 HD22 ASN A 25 52.117 3.490 32.074 0.01 51.53 H new ATOM 128 N THR A 26 50.043 3.843 37.182 1.00 50.23 N ATOM 129 CA THR A 26 49.592 2.899 38.263 1.00 44.21 C ATOM 130 C THR A 26 48.225 3.502 38.798 1.00 38.64 C ATOM 131 O THR A 26 47.374 2.819 39.342 1.00 34.99 O ATOM 132 CB THR A 26 50.858 2.850 39.205 1.00 46.79 C ATOM 133 OG1 THR A 26 50.585 2.068 40.353 1.00 49.97 O ATOM 134 CG2 THR A 26 51.259 4.173 39.776 1.00 48.33 C ATOM 0 H THR A 26 50.406 4.573 37.456 1.00 50.23 H new ATOM 0 HA THR A 26 49.365 1.978 38.060 1.00 44.21 H new ATOM 0 HB THR A 26 51.558 2.500 38.631 1.00 46.79 H new ATOM 0 HG1 THR A 26 51.265 2.047 40.846 1.00 49.97 H new ATOM 0 HG21 THR A 26 52.040 4.059 40.340 1.00 48.33 H new ATOM 0 HG22 THR A 26 51.468 4.787 39.055 1.00 48.33 H new ATOM 0 HG23 THR A 26 50.529 4.532 40.304 1.00 48.33 H new ATOM 142 N VAL A 27 48.036 4.792 38.614 1.00 30.65 N ATOM 143 CA VAL A 27 46.801 5.509 39.039 1.00 26.64 C ATOM 144 C VAL A 27 46.321 6.111 37.646 1.00 26.13 C ATOM 145 O VAL A 27 46.375 7.299 37.378 1.00 24.28 O ATOM 146 CB AVAL A 27 47.190 6.645 40.048 0.70 29.61 C ATOM 147 CB BVAL A 27 47.198 6.581 40.120 0.30 24.69 C ATOM 148 CG1AVAL A 27 45.923 7.372 40.543 0.70 30.32 C ATOM 149 CG1BVAL A 27 48.198 7.613 39.667 0.30 22.14 C ATOM 150 CG2AVAL A 27 47.891 6.035 41.312 0.70 30.43 C ATOM 151 CG2BVAL A 27 45.940 7.275 40.661 0.30 24.23 C ATOM 0 H VAL A 27 48.616 5.302 38.236 1.00 30.65 H new ATOM 0 HA VAL A 27 46.130 4.971 39.487 1.00 26.64 H new ATOM 0 HB AVAL A 27 47.784 7.257 39.587 0.70 24.69 H new ATOM 0 HB BVAL A 27 47.647 6.080 40.819 0.30 24.69 H new ATOM 0 HG11AVAL A 27 46.174 8.072 41.166 0.70 22.14 H new ATOM 0 HG11BVAL A 27 48.381 8.228 40.395 0.30 22.14 H new ATOM 0 HG12AVAL A 27 45.458 7.764 39.787 0.70 22.14 H new ATOM 0 HG12BVAL A 27 49.020 7.172 39.402 0.30 22.14 H new ATOM 0 HG13AVAL A 27 45.339 6.738 40.988 0.70 22.14 H new ATOM 0 HG13BVAL A 27 47.837 8.104 38.912 0.30 22.14 H new ATOM 0 HG21AVAL A 27 48.126 6.747 41.927 0.70 24.23 H new ATOM 0 HG21BVAL A 27 46.194 7.934 41.326 0.30 24.23 H new ATOM 0 HG22AVAL A 27 47.286 5.416 41.750 0.70 24.23 H new ATOM 0 HG22BVAL A 27 45.474 7.715 39.933 0.30 24.23 H new ATOM 0 HG23AVAL A 27 48.695 5.564 41.041 0.70 24.23 H new ATOM 0 HG23BVAL A 27 45.355 6.616 41.066 0.30 24.23 H new ATOM 168 N PRO A 28 45.863 5.271 36.753 1.00 18.98 N ATOM 169 CA PRO A 28 45.559 5.697 35.357 1.00 19.72 C ATOM 170 C PRO A 28 44.290 6.579 35.249 1.00 17.79 C ATOM 171 O PRO A 28 43.970 7.095 34.197 1.00 14.18 O ATOM 172 CB PRO A 28 45.442 4.379 34.611 1.00 20.97 C ATOM 173 CG PRO A 28 44.788 3.450 35.675 1.00 20.67 C ATOM 174 CD PRO A 28 45.575 3.814 36.970 1.00 20.75 C ATOM 0 HA PRO A 28 46.244 6.275 34.985 1.00 19.72 H new ATOM 0 HB2 PRO A 28 44.892 4.461 33.816 1.00 20.97 H new ATOM 0 HB3 PRO A 28 46.307 4.048 34.325 1.00 20.97 H new ATOM 0 HG2 PRO A 28 43.838 3.622 35.769 1.00 20.67 H new ATOM 0 HG3 PRO A 28 44.885 2.513 35.445 1.00 20.67 H new ATOM 0 HD2 PRO A 28 45.049 3.662 37.771 1.00 20.75 H new ATOM 0 HD3 PRO A 28 46.387 3.292 37.061 1.00 20.75 H new ATOM 182 N TYR A 29 43.600 6.737 36.338 1.00 15.73 N ATOM 183 CA TYR A 29 42.356 7.559 36.347 1.00 13.96 C ATOM 184 C TYR A 29 42.664 8.956 36.838 1.00 13.94 C ATOM 185 O TYR A 29 41.772 9.770 36.915 1.00 10.76 O ATOM 186 CB TYR A 29 41.320 6.880 37.271 1.00 13.60 C ATOM 187 CG TYR A 29 41.965 6.384 38.580 1.00 13.20 C ATOM 188 CD1 TYR A 29 42.069 7.246 39.651 1.00 10.94 C ATOM 189 CD2 TYR A 29 42.457 5.093 38.704 1.00 8.55 C ATOM 190 CE1 TYR A 29 42.651 6.841 40.822 1.00 13.70 C ATOM 191 CE2 TYR A 29 43.046 4.689 39.890 1.00 13.60 C ATOM 192 CZ TYR A 29 43.146 5.567 40.963 1.00 13.62 C ATOM 193 OH TYR A 29 43.717 5.274 42.197 1.00 16.47 O ATOM 0 H TYR A 29 43.808 6.391 37.097 1.00 15.73 H new ATOM 0 HA TYR A 29 41.996 7.625 35.449 1.00 13.96 H new ATOM 0 HB2 TYR A 29 40.609 7.507 37.477 1.00 13.60 H new ATOM 0 HB3 TYR A 29 40.913 6.132 36.807 1.00 13.60 H new ATOM 0 HD1 TYR A 29 41.740 8.113 39.577 1.00 10.94 H new ATOM 0 HD2 TYR A 29 42.391 4.499 37.991 1.00 8.55 H new ATOM 0 HE1 TYR A 29 42.712 7.437 41.533 1.00 13.70 H new ATOM 0 HE2 TYR A 29 43.377 3.824 39.969 1.00 13.60 H new ATOM 0 HH TYR A 29 43.991 4.480 42.198 1.00 16.47 H new ATOM 203 N GLN A 30 43.913 9.183 37.141 1.00 15.46 N ATOM 204 CA GLN A 30 44.377 10.510 37.654 1.00 16.52 C ATOM 205 C GLN A 30 44.451 11.495 36.499 1.00 16.40 C ATOM 206 O GLN A 30 44.923 11.150 35.428 1.00 12.73 O ATOM 207 CB GLN A 30 45.794 10.338 38.310 1.00 16.52 C ATOM 208 CG GLN A 30 46.442 11.652 38.849 1.00 21.11 C ATOM 209 CD GLN A 30 45.967 11.999 40.241 1.00 20.66 C ATOM 210 OE1 GLN A 30 46.083 11.103 41.163 1.00 25.81 O flip ATOM 211 NE2 GLN A 30 45.494 13.078 40.501 1.00 21.09 N flip ATOM 0 H GLN A 30 44.537 8.596 37.067 1.00 15.46 H new ATOM 0 HA GLN A 30 43.756 10.847 38.318 1.00 16.52 H new ATOM 0 HB2 GLN A 30 45.721 9.707 39.043 1.00 16.52 H new ATOM 0 HB3 GLN A 30 46.392 9.945 37.655 1.00 16.52 H new ATOM 0 HG2 GLN A 30 47.407 11.555 38.854 1.00 21.11 H new ATOM 0 HG3 GLN A 30 46.233 12.383 38.247 1.00 21.11 H new ATOM 0 HE21 GLN A 30 45.418 13.674 39.885 1.00 21.09 H new ATOM 0 HE22 GLN A 30 45.233 13.252 41.302 1.00 21.09 H new ATOM 220 N VAL A 31 43.979 12.697 36.833 1.00 15.11 N ATOM 221 CA VAL A 31 43.968 13.854 35.903 1.00 16.07 C ATOM 222 C VAL A 31 44.644 15.079 36.531 1.00 13.51 C ATOM 223 O VAL A 31 44.683 15.238 37.747 1.00 12.87 O ATOM 224 CB AVAL A 31 42.465 14.093 35.677 0.78 17.28 C ATOM 225 CB BVAL A 31 42.521 14.338 35.414 0.40 16.70 C ATOM 226 CG1AVAL A 31 42.018 15.543 35.549 0.78 18.44 C ATOM 227 CG1BVAL A 31 41.597 13.156 35.140 0.40 20.46 C ATOM 228 CG2AVAL A 31 42.000 13.280 34.591 0.78 19.18 C ATOM 229 CG2BVAL A 31 41.809 15.328 36.316 0.40 15.73 C ATOM 0 H VAL A 31 43.652 12.875 37.608 1.00 15.11 H new ATOM 0 HA VAL A 31 44.457 13.692 35.081 1.00 16.07 H new ATOM 0 HB AVAL A 31 42.038 13.819 36.504 0.78 16.70 H new ATOM 0 HB BVAL A 31 42.717 14.820 34.595 0.40 16.70 H new ATOM 0 HG11AVAL A 31 41.059 15.575 35.410 0.78 20.46 H new ATOM 0 HG11BVAL A 31 40.732 13.482 34.847 0.40 20.46 H new ATOM 0 HG12AVAL A 31 42.243 16.024 36.361 0.78 20.46 H new ATOM 0 HG12BVAL A 31 41.983 12.597 34.448 0.40 20.46 H new ATOM 0 HG13AVAL A 31 42.467 15.955 34.795 0.78 20.46 H new ATOM 0 HG13BVAL A 31 41.488 12.636 35.951 0.40 20.46 H new ATOM 0 HG21AVAL A 31 41.052 13.435 34.453 0.78 15.73 H new ATOM 0 HG21BVAL A 31 40.948 15.555 35.932 0.40 15.73 H new ATOM 0 HG22AVAL A 31 42.486 13.510 33.783 0.78 15.73 H new ATOM 0 HG22BVAL A 31 41.678 14.932 37.192 0.40 15.73 H new ATOM 0 HG23AVAL A 31 42.147 12.344 34.801 0.78 15.73 H new ATOM 0 HG23BVAL A 31 42.346 16.131 36.402 0.40 15.73 H new ATOM 246 N SER A 32 45.128 15.897 35.624 1.00 11.30 N ATOM 247 CA SER A 32 45.756 17.152 36.115 1.00 10.13 C ATOM 248 C SER A 32 44.873 18.252 35.530 1.00 13.53 C ATOM 249 O SER A 32 44.510 18.144 34.380 1.00 10.86 O ATOM 250 CB SER A 32 47.178 17.251 35.575 1.00 11.19 C ATOM 251 OG SER A 32 47.649 18.606 35.703 1.00 10.59 O ATOM 0 H SER A 32 45.118 15.778 34.772 1.00 11.30 H new ATOM 0 HA SER A 32 45.817 17.205 37.082 1.00 10.13 H new ATOM 0 HB2 SER A 32 47.762 16.648 36.062 1.00 11.19 H new ATOM 0 HB3 SER A 32 47.200 16.977 34.645 1.00 11.19 H new ATOM 0 HG SER A 32 48.118 18.804 35.035 1.00 10.59 H new ATOM 257 N LEU A 33 44.563 19.245 36.314 1.00 8.77 N ATOM 258 CA LEU A 33 43.726 20.391 35.850 1.00 11.08 C ATOM 259 C LEU A 33 44.817 21.474 35.614 1.00 15.14 C ATOM 260 O LEU A 33 45.609 21.785 36.496 1.00 10.46 O ATOM 261 CB LEU A 33 42.745 20.784 36.966 1.00 15.12 C ATOM 262 CG LEU A 33 41.698 19.622 37.227 1.00 11.82 C ATOM 263 CD1 LEU A 33 40.526 20.209 38.016 1.00 13.16 C ATOM 264 CD2 LEU A 33 41.182 18.945 35.931 1.00 16.26 C ATOM 0 H LEU A 33 44.816 19.303 37.134 1.00 8.77 H new ATOM 0 HA LEU A 33 43.175 20.228 35.068 1.00 11.08 H new ATOM 0 HB2 LEU A 33 43.235 20.973 37.782 1.00 15.12 H new ATOM 0 HB3 LEU A 33 42.278 21.598 36.720 1.00 15.12 H new ATOM 0 HG LEU A 33 42.149 18.923 37.726 1.00 11.82 H new ATOM 0 HD11 LEU A 33 39.871 19.514 38.188 1.00 13.16 H new ATOM 0 HD12 LEU A 33 40.849 20.564 38.859 1.00 13.16 H new ATOM 0 HD13 LEU A 33 40.114 20.921 37.502 1.00 13.16 H new ATOM 0 HD21 LEU A 33 40.549 18.247 36.160 1.00 16.26 H new ATOM 0 HD22 LEU A 33 40.745 19.607 35.372 1.00 16.26 H new ATOM 0 HD23 LEU A 33 41.929 18.557 35.449 1.00 16.26 H new ATOM 276 N ASN A 34 44.823 21.998 34.418 1.00 14.83 N ATOM 277 CA ASN A 34 45.814 23.038 33.984 1.00 16.22 C ATOM 278 C ASN A 34 45.208 24.344 33.468 1.00 18.90 C ATOM 279 O ASN A 34 44.290 24.285 32.679 1.00 17.22 O ATOM 280 CB ASN A 34 46.704 22.363 32.863 1.00 16.08 C ATOM 281 CG ASN A 34 47.896 23.193 32.304 1.00 21.78 C ATOM 282 OD1 ASN A 34 47.758 24.214 31.650 1.00 17.97 O ATOM 283 ND2 ASN A 34 49.100 22.770 32.547 1.00 19.84 N ATOM 0 H ASN A 34 44.260 21.780 33.806 1.00 14.83 H new ATOM 0 HA ASN A 34 46.323 23.312 34.763 1.00 16.22 H new ATOM 0 HB2 ASN A 34 47.057 21.533 33.219 1.00 16.08 H new ATOM 0 HB3 ASN A 34 46.126 22.130 32.120 1.00 16.08 H new ATOM 0 HD21 ASN A 34 49.778 23.207 32.249 1.00 19.84 H new ATOM 0 HD22 ASN A 34 49.219 22.053 33.006 1.00 19.84 H new ATOM 290 N SER A 37 45.674 25.474 33.905 1.00 17.87 N ATOM 291 CA SER A 37 45.138 26.781 33.411 1.00 18.03 C ATOM 292 C SER A 37 46.429 27.569 33.174 1.00 20.73 C ATOM 293 O SER A 37 46.568 28.691 33.622 1.00 17.29 O ATOM 294 CB SER A 37 44.272 27.511 34.484 1.00 20.46 C ATOM 295 OG SER A 37 45.073 27.452 35.661 1.00 25.93 O ATOM 0 H SER A 37 46.302 25.543 34.489 1.00 17.87 H new ATOM 0 HA SER A 37 44.559 26.683 32.639 1.00 18.03 H new ATOM 0 HB2 SER A 37 44.083 28.427 34.227 1.00 20.46 H new ATOM 0 HB3 SER A 37 43.417 27.071 34.612 1.00 20.46 H new ATOM 0 HG SER A 37 44.904 26.744 36.080 1.00 25.93 H new ATOM 301 N GLY A 38 47.354 26.955 32.475 1.00 21.31 N ATOM 302 CA GLY A 38 48.659 27.629 32.191 1.00 17.66 C ATOM 303 C GLY A 38 49.740 26.927 33.002 1.00 17.21 C ATOM 304 O GLY A 38 50.919 26.971 32.690 1.00 14.25 O ATOM 0 H GLY A 38 47.275 26.163 32.150 1.00 21.31 H new ATOM 0 HA2 GLY A 38 48.864 27.585 31.244 1.00 17.66 H new ATOM 0 HA3 GLY A 38 48.614 28.568 32.428 1.00 17.66 H new ATOM 308 N TYR A 39 49.282 26.321 34.056 1.00 15.00 N ATOM 309 CA TYR A 39 50.136 25.570 34.998 1.00 13.68 C ATOM 310 C TYR A 39 49.165 24.579 35.648 1.00 15.42 C ATOM 311 O TYR A 39 47.963 24.676 35.501 1.00 16.04 O ATOM 312 CB TYR A 39 50.760 26.555 36.071 1.00 14.09 C ATOM 313 CG TYR A 39 49.661 27.493 36.581 1.00 14.99 C ATOM 314 CD1 TYR A 39 49.425 28.670 35.911 1.00 17.62 C ATOM 315 CD2 TYR A 39 48.880 27.171 37.676 1.00 17.59 C ATOM 316 CE1 TYR A 39 48.426 29.491 36.307 1.00 18.59 C ATOM 317 CE2 TYR A 39 47.871 28.008 38.071 1.00 18.64 C ATOM 318 CZ TYR A 39 47.645 29.175 37.387 1.00 20.60 C ATOM 319 OH TYR A 39 46.625 30.019 37.766 1.00 28.22 O ATOM 0 H TYR A 39 48.449 26.320 34.271 1.00 15.00 H new ATOM 0 HA TYR A 39 50.887 25.127 34.573 1.00 13.68 H new ATOM 0 HB2 TYR A 39 51.140 26.051 36.808 1.00 14.09 H new ATOM 0 HB3 TYR A 39 51.482 27.068 35.676 1.00 14.09 H new ATOM 0 HD1 TYR A 39 49.954 28.903 35.183 1.00 17.62 H new ATOM 0 HD2 TYR A 39 49.041 26.384 38.145 1.00 17.59 H new ATOM 0 HE1 TYR A 39 48.267 30.280 35.840 1.00 18.59 H new ATOM 0 HE2 TYR A 39 47.340 27.786 38.801 1.00 18.64 H new ATOM 0 HH TYR A 39 46.328 30.420 37.091 1.00 28.22 H new ATOM 329 N HIS A 40 49.702 23.660 36.363 1.00 11.88 N ATOM 330 CA HIS A 40 48.879 22.642 37.044 1.00 12.40 C ATOM 331 C HIS A 40 48.385 23.302 38.309 1.00 12.10 C ATOM 332 O HIS A 40 49.167 23.843 39.065 1.00 17.61 O ATOM 333 CB HIS A 40 49.771 21.398 37.377 1.00 14.51 C ATOM 334 CG HIS A 40 49.103 20.471 38.402 1.00 11.37 C ATOM 335 ND1 HIS A 40 48.354 19.448 38.143 1.00 15.60 N ATOM 336 CD2 HIS A 40 49.131 20.508 39.791 1.00 11.41 C ATOM 337 CE1 HIS A 40 47.945 18.896 39.262 1.00 13.15 C ATOM 338 NE2 HIS A 40 48.409 19.531 40.301 1.00 14.84 N ATOM 0 H HIS A 40 50.549 23.579 36.489 1.00 11.88 H new ATOM 0 HA HIS A 40 48.138 22.334 36.499 1.00 12.40 H new ATOM 0 HB2 HIS A 40 49.951 20.903 36.563 1.00 14.51 H new ATOM 0 HB3 HIS A 40 50.627 21.697 37.722 1.00 14.51 H new ATOM 0 HD1 HIS A 40 48.154 19.171 37.354 1.00 15.60 H new ATOM 0 HD2 HIS A 40 49.597 21.138 40.293 1.00 11.41 H new ATOM 0 HE1 HIS A 40 47.395 18.148 39.307 1.00 13.15 H new ATOM 346 N PHE A 41 47.110 23.269 38.532 1.00 12.09 N ATOM 347 CA PHE A 41 46.590 23.899 39.768 1.00 8.27 C ATOM 348 C PHE A 41 45.784 22.912 40.631 1.00 12.64 C ATOM 349 O PHE A 41 45.655 23.160 41.816 1.00 17.63 O ATOM 350 CB PHE A 41 45.754 25.104 39.337 1.00 11.67 C ATOM 351 CG PHE A 41 44.446 24.769 38.644 1.00 12.65 C ATOM 352 CD1 PHE A 41 43.317 24.628 39.407 1.00 13.64 C ATOM 353 CD2 PHE A 41 44.370 24.635 37.272 1.00 11.58 C ATOM 354 CE1 PHE A 41 42.117 24.363 38.841 1.00 13.20 C ATOM 355 CE2 PHE A 41 43.153 24.365 36.690 1.00 13.83 C ATOM 356 CZ PHE A 41 42.025 24.230 37.481 1.00 13.00 C ATOM 0 H PHE A 41 46.522 22.908 38.019 1.00 12.09 H new ATOM 0 HA PHE A 41 47.324 24.183 40.335 1.00 8.27 H new ATOM 0 HB2 PHE A 41 45.560 25.642 40.121 1.00 11.67 H new ATOM 0 HB3 PHE A 41 46.287 25.653 38.741 1.00 11.67 H new ATOM 0 HD1 PHE A 41 43.376 24.716 40.331 1.00 13.64 H new ATOM 0 HD2 PHE A 41 45.132 24.726 36.747 1.00 11.58 H new ATOM 0 HE1 PHE A 41 41.359 24.272 39.372 1.00 13.20 H new ATOM 0 HE2 PHE A 41 43.088 24.273 35.767 1.00 13.83 H new ATOM 0 HZ PHE A 41 41.202 24.048 37.088 1.00 13.00 H new ATOM 366 N CYS A 42 45.269 21.855 40.077 1.00 12.57 N ATOM 367 CA CYS A 42 44.475 20.876 40.882 1.00 11.14 C ATOM 368 C CYS A 42 44.493 19.505 40.214 1.00 12.68 C ATOM 369 O CYS A 42 44.937 19.358 39.079 1.00 12.82 O ATOM 370 CB CYS A 42 43.004 21.318 40.994 1.00 11.33 C ATOM 371 SG CYS A 42 42.499 22.337 42.377 1.00 14.90 S ATOM 0 H CYS A 42 45.348 21.657 39.244 1.00 12.57 H new ATOM 0 HA CYS A 42 44.877 20.834 41.764 1.00 11.14 H new ATOM 0 HB2 CYS A 42 42.781 21.798 40.181 1.00 11.33 H new ATOM 0 HB3 CYS A 42 42.459 20.516 41.008 1.00 11.33 H new ATOM 376 N GLY A 43 43.973 18.552 40.935 1.00 7.62 N ATOM 377 CA GLY A 43 43.904 17.146 40.452 1.00 10.38 C ATOM 378 C GLY A 43 42.462 16.779 40.175 1.00 7.76 C ATOM 379 O GLY A 43 41.553 17.558 40.408 1.00 11.45 O ATOM 0 H GLY A 43 43.643 18.672 41.720 1.00 7.62 H new ATOM 0 HA2 GLY A 43 44.435 17.044 39.646 1.00 10.38 H new ATOM 0 HA3 GLY A 43 44.279 16.547 41.116 1.00 10.38 H new ATOM 383 N GLY A 44 42.244 15.599 39.664 1.00 10.02 N ATOM 384 CA GLY A 44 40.862 15.155 39.366 1.00 8.40 C ATOM 385 C GLY A 44 40.865 13.638 39.111 1.00 6.92 C ATOM 386 O GLY A 44 41.930 13.066 39.137 1.00 8.41 O ATOM 0 H GLY A 44 42.858 15.028 39.475 1.00 10.02 H new ATOM 0 HA2 GLY A 44 40.275 15.369 40.108 1.00 8.40 H new ATOM 0 HA3 GLY A 44 40.520 15.624 38.589 1.00 8.40 H new ATOM 390 N SER A 45 39.705 13.040 38.890 1.00 7.90 N ATOM 391 CA SER A 45 39.564 11.579 38.618 1.00 8.89 C ATOM 392 C SER A 45 38.665 11.416 37.417 1.00 12.59 C ATOM 393 O SER A 45 37.619 12.044 37.370 1.00 13.00 O ATOM 394 CB SER A 45 38.924 10.899 39.771 1.00 15.23 C ATOM 395 OG SER A 45 39.932 10.973 40.772 1.00 16.99 O ATOM 0 H SER A 45 38.955 13.461 38.890 1.00 7.90 H new ATOM 0 HA SER A 45 40.440 11.192 38.464 1.00 8.89 H new ATOM 0 HB2 SER A 45 38.108 11.346 40.046 1.00 15.23 H new ATOM 0 HB3 SER A 45 38.688 9.981 39.563 1.00 15.23 H new ATOM 0 HG SER A 45 40.600 11.381 40.468 1.00 16.99 H new ATOM 401 N LEU A 46 39.060 10.587 36.493 1.00 10.89 N ATOM 402 CA LEU A 46 38.234 10.375 35.276 1.00 8.91 C ATOM 403 C LEU A 46 37.189 9.352 35.639 1.00 9.29 C ATOM 404 O LEU A 46 37.579 8.312 36.147 1.00 11.26 O ATOM 405 CB LEU A 46 39.185 9.858 34.182 1.00 13.50 C ATOM 406 CG LEU A 46 38.499 9.599 32.843 1.00 14.34 C ATOM 407 CD1 LEU A 46 38.178 10.910 32.171 1.00 18.25 C ATOM 408 CD2 LEU A 46 39.413 8.743 31.922 1.00 18.14 C ATOM 0 H LEU A 46 39.788 10.130 36.524 1.00 10.89 H new ATOM 0 HA LEU A 46 37.792 11.177 34.955 1.00 8.91 H new ATOM 0 HB2 LEU A 46 39.897 10.504 34.052 1.00 13.50 H new ATOM 0 HB3 LEU A 46 39.600 9.036 34.488 1.00 13.50 H new ATOM 0 HG LEU A 46 37.676 9.111 33.004 1.00 14.34 H new ATOM 0 HD11 LEU A 46 37.743 10.740 31.321 1.00 18.25 H new ATOM 0 HD12 LEU A 46 37.587 11.429 32.739 1.00 18.25 H new ATOM 0 HD13 LEU A 46 38.998 11.406 32.020 1.00 18.25 H new ATOM 0 HD21 LEU A 46 38.965 8.587 31.076 1.00 18.14 H new ATOM 0 HD22 LEU A 46 40.246 9.214 31.764 1.00 18.14 H new ATOM 0 HD23 LEU A 46 39.599 7.893 32.351 1.00 18.14 H new ATOM 420 N ILE A 47 35.925 9.618 35.382 1.00 9.71 N ATOM 421 CA ILE A 47 34.897 8.609 35.730 1.00 11.84 C ATOM 422 C ILE A 47 34.327 7.928 34.492 1.00 10.91 C ATOM 423 O ILE A 47 33.610 6.945 34.606 1.00 13.08 O ATOM 424 CB ILE A 47 33.774 9.264 36.579 1.00 14.40 C ATOM 425 CG1 ILE A 47 33.138 10.545 36.006 1.00 12.82 C ATOM 426 CG2 ILE A 47 34.405 9.560 37.994 1.00 15.91 C ATOM 427 CD1 ILE A 47 31.724 10.671 36.658 1.00 14.98 C ATOM 0 H ILE A 47 35.631 10.342 35.022 1.00 9.71 H new ATOM 0 HA ILE A 47 35.323 7.916 36.259 1.00 11.84 H new ATOM 0 HB ILE A 47 33.032 8.640 36.602 1.00 14.40 H new ATOM 0 HG12 ILE A 47 33.682 11.321 36.210 1.00 12.82 H new ATOM 0 HG13 ILE A 47 33.069 10.493 35.040 1.00 12.82 H new ATOM 0 HG21 ILE A 47 33.739 9.972 38.566 1.00 15.91 H new ATOM 0 HG22 ILE A 47 34.705 8.729 38.395 1.00 15.91 H new ATOM 0 HG23 ILE A 47 35.160 10.161 37.893 1.00 15.91 H new ATOM 0 HD11 ILE A 47 31.284 11.468 36.325 1.00 14.98 H new ATOM 0 HD12 ILE A 47 31.193 9.891 36.433 1.00 14.98 H new ATOM 0 HD13 ILE A 47 31.816 10.732 37.622 1.00 14.98 H new ATOM 439 N ASN A 48 34.626 8.442 33.339 1.00 12.07 N ATOM 440 CA ASN A 48 34.137 7.804 32.055 1.00 15.50 C ATOM 441 C ASN A 48 34.784 8.654 30.987 1.00 13.03 C ATOM 442 O ASN A 48 35.247 9.735 31.288 1.00 11.89 O ATOM 443 CB ASN A 48 32.552 7.782 31.890 1.00 15.19 C ATOM 444 CG ASN A 48 31.825 9.087 31.685 1.00 16.33 C ATOM 445 OD1 ASN A 48 32.364 10.095 31.107 1.00 20.84 O flip ATOM 446 ND2 ASN A 48 30.690 9.221 32.062 1.00 16.60 N flip ATOM 0 H ASN A 48 35.102 9.150 33.232 1.00 12.07 H new ATOM 0 HA ASN A 48 34.373 6.864 32.019 1.00 15.50 H new ATOM 0 HB2 ASN A 48 32.343 7.208 31.137 1.00 15.19 H new ATOM 0 HB3 ASN A 48 32.180 7.360 32.680 1.00 15.19 H new ATOM 0 HD21 ASN A 48 30.288 8.570 32.455 1.00 16.60 H new ATOM 0 HD22 ASN A 48 30.281 9.967 31.938 1.00 16.60 H new ATOM 453 N SER A 49 34.803 8.202 29.785 1.00 11.43 N ATOM 454 CA SER A 49 35.419 8.942 28.688 1.00 14.44 C ATOM 455 C SER A 49 35.171 10.436 28.589 1.00 15.65 C ATOM 456 O SER A 49 36.036 11.140 28.126 1.00 17.84 O ATOM 457 CB SER A 49 34.995 8.240 27.358 1.00 16.22 C ATOM 458 OG SER A 49 33.621 7.876 27.537 1.00 27.21 O ATOM 0 H SER A 49 34.460 7.448 29.553 1.00 11.43 H new ATOM 0 HA SER A 49 36.371 8.911 28.871 1.00 14.44 H new ATOM 0 HB2 SER A 49 35.102 8.835 26.600 1.00 16.22 H new ATOM 0 HB3 SER A 49 35.543 7.459 27.185 1.00 16.22 H new ATOM 0 HG SER A 49 33.553 7.039 27.554 1.00 27.21 H new ATOM 464 N GLN A 50 34.025 10.899 28.995 1.00 17.25 N ATOM 465 CA GLN A 50 33.741 12.367 28.898 1.00 16.07 C ATOM 466 C GLN A 50 33.647 13.175 30.201 1.00 10.97 C ATOM 467 O GLN A 50 33.502 14.374 30.099 1.00 12.23 O ATOM 468 CB GLN A 50 32.420 12.520 28.140 1.00 19.05 C ATOM 469 CG GLN A 50 32.367 11.691 26.825 1.00 23.52 C ATOM 470 CD GLN A 50 30.951 11.797 26.250 1.00 28.30 C ATOM 471 OE1 GLN A 50 30.011 11.259 26.791 1.00 32.04 O ATOM 472 NE2 GLN A 50 30.723 12.475 25.177 1.00 31.32 N ATOM 0 H GLN A 50 33.391 10.422 29.327 1.00 17.25 H new ATOM 0 HA GLN A 50 34.519 12.742 28.456 1.00 16.07 H new ATOM 0 HB2 GLN A 50 31.690 12.247 28.717 1.00 19.05 H new ATOM 0 HB3 GLN A 50 32.281 13.457 27.930 1.00 19.05 H new ATOM 0 HG2 GLN A 50 33.017 12.026 26.188 1.00 23.52 H new ATOM 0 HG3 GLN A 50 32.593 10.764 27.000 1.00 23.52 H new ATOM 0 HE21 GLN A 50 31.371 12.868 24.771 1.00 31.32 H new ATOM 0 HE22 GLN A 50 29.923 12.534 24.868 1.00 31.32 H new ATOM 481 N TRP A 51 33.731 12.561 31.345 1.00 10.30 N ATOM 482 CA TRP A 51 33.616 13.343 32.612 1.00 6.69 C ATOM 483 C TRP A 51 34.740 13.138 33.667 1.00 11.33 C ATOM 484 O TRP A 51 35.315 12.070 33.807 1.00 11.04 O ATOM 485 CB TRP A 51 32.222 13.006 33.303 1.00 7.40 C ATOM 486 CG TRP A 51 30.987 13.477 32.484 1.00 10.00 C ATOM 487 CD1 TRP A 51 30.314 12.767 31.513 1.00 10.74 C ATOM 488 CD2 TRP A 51 30.376 14.699 32.629 1.00 13.65 C ATOM 489 NE1 TRP A 51 29.368 13.598 31.158 1.00 9.13 N ATOM 490 CE2 TRP A 51 29.307 14.778 31.748 1.00 11.14 C ATOM 491 CE3 TRP A 51 30.632 15.795 33.469 1.00 11.78 C ATOM 492 CZ2 TRP A 51 28.499 15.915 31.701 1.00 13.52 C ATOM 493 CZ3 TRP A 51 29.820 16.934 33.428 1.00 12.43 C ATOM 494 CH2 TRP A 51 28.756 16.994 32.545 1.00 14.00 C ATOM 0 H TRP A 51 33.851 11.715 31.443 1.00 10.30 H new ATOM 0 HA TRP A 51 33.697 14.268 32.330 1.00 6.69 H new ATOM 0 HB2 TRP A 51 32.162 12.048 33.441 1.00 7.40 H new ATOM 0 HB3 TRP A 51 32.196 13.421 34.179 1.00 7.40 H new ATOM 0 HD1 TRP A 51 30.489 11.912 31.191 1.00 10.74 H new ATOM 0 HE1 TRP A 51 28.797 13.380 30.553 1.00 9.13 H new ATOM 0 HE3 TRP A 51 31.350 15.763 34.060 1.00 11.78 H new ATOM 0 HZ2 TRP A 51 27.787 15.953 31.104 1.00 13.52 H new ATOM 0 HZ3 TRP A 51 29.995 17.651 33.994 1.00 12.43 H new ATOM 0 HH2 TRP A 51 28.215 17.750 32.515 1.00 14.00 H new ATOM 505 N VAL A 52 34.989 14.204 34.368 1.00 8.45 N ATOM 506 CA VAL A 52 36.003 14.259 35.435 1.00 11.85 C ATOM 507 C VAL A 52 35.368 14.820 36.709 1.00 8.71 C ATOM 508 O VAL A 52 34.530 15.708 36.645 1.00 11.35 O ATOM 509 CB VAL A 52 37.183 15.179 34.945 1.00 7.55 C ATOM 510 CG1 VAL A 52 38.179 15.476 36.076 1.00 11.29 C ATOM 511 CG2 VAL A 52 37.977 14.433 33.870 1.00 10.23 C ATOM 0 H VAL A 52 34.574 14.948 34.251 1.00 8.45 H new ATOM 0 HA VAL A 52 36.346 13.373 35.632 1.00 11.85 H new ATOM 0 HB VAL A 52 36.790 16.005 34.621 1.00 7.55 H new ATOM 0 HG11 VAL A 52 38.891 16.043 35.740 1.00 11.29 H new ATOM 0 HG12 VAL A 52 37.720 15.929 36.801 1.00 11.29 H new ATOM 0 HG13 VAL A 52 38.556 14.644 36.402 1.00 11.29 H new ATOM 0 HG21 VAL A 52 38.707 14.992 33.561 1.00 10.23 H new ATOM 0 HG22 VAL A 52 38.334 13.612 34.243 1.00 10.23 H new ATOM 0 HG23 VAL A 52 37.394 14.222 33.124 1.00 10.23 H new ATOM 521 N VAL A 53 35.733 14.266 37.904 1.00 10.11 N ATOM 522 CA VAL A 53 35.169 14.797 39.186 1.00 10.36 C ATOM 523 C VAL A 53 36.434 15.392 39.831 1.00 10.52 C ATOM 524 O VAL A 53 37.516 14.839 39.733 1.00 12.10 O ATOM 525 CB AVAL A 53 34.528 13.640 40.021 0.66 10.80 C ATOM 526 CB BVAL A 53 34.602 13.668 40.139 0.17 14.25 C ATOM 527 CG1AVAL A 53 35.509 12.488 40.313 0.66 14.46 C ATOM 528 CG1BVAL A 53 33.339 12.961 39.588 0.17 14.76 C ATOM 529 CG2AVAL A 53 33.955 14.172 41.357 0.66 10.33 C ATOM 530 CG2BVAL A 53 35.641 12.565 40.425 0.17 16.05 C ATOM 0 H VAL A 53 36.282 13.610 37.992 1.00 10.11 H new ATOM 0 HA VAL A 53 34.450 15.442 39.098 1.00 10.36 H new ATOM 0 HB AVAL A 53 33.812 13.284 39.472 0.66 14.25 H new ATOM 0 HB BVAL A 53 34.375 14.149 40.950 0.17 14.25 H new ATOM 0 HG11AVAL A 53 35.059 11.803 40.831 0.66 14.76 H new ATOM 0 HG11BVAL A 53 33.046 12.284 40.218 0.17 14.76 H new ATOM 0 HG12AVAL A 53 35.820 12.108 39.477 0.66 14.76 H new ATOM 0 HG12BVAL A 53 32.632 13.613 39.462 0.17 14.76 H new ATOM 0 HG13AVAL A 53 36.266 12.827 40.815 0.66 14.76 H new ATOM 0 HG13BVAL A 53 33.547 12.542 38.738 0.17 14.76 H new ATOM 0 HG21AVAL A 53 33.564 13.438 41.856 0.66 16.05 H new ATOM 0 HG21BVAL A 53 35.251 11.897 41.011 0.17 16.05 H new ATOM 0 HG22AVAL A 53 34.668 14.573 41.878 0.66 16.05 H new ATOM 0 HG22BVAL A 53 35.908 12.147 39.591 0.17 16.05 H new ATOM 0 HG23AVAL A 53 33.274 14.838 41.175 0.66 16.05 H new ATOM 0 HG23BVAL A 53 36.419 12.956 40.853 0.17 16.05 H new ATOM 547 N SER A 54 36.249 16.500 40.423 1.00 11.88 N ATOM 548 CA SER A 54 37.324 17.207 41.146 1.00 10.22 C ATOM 549 C SER A 54 36.581 17.922 42.303 1.00 13.06 C ATOM 550 O SER A 54 35.423 17.664 42.601 1.00 13.15 O ATOM 551 CB SER A 54 37.964 18.151 40.135 1.00 9.01 C ATOM 552 OG SER A 54 39.035 18.791 40.794 1.00 8.64 O ATOM 0 H SER A 54 35.491 16.907 40.441 1.00 11.88 H new ATOM 0 HA SER A 54 38.037 16.662 41.514 1.00 10.22 H new ATOM 0 HB2 SER A 54 38.281 17.661 39.360 1.00 9.01 H new ATOM 0 HB3 SER A 54 37.319 18.801 39.816 1.00 9.01 H new ATOM 0 HG SER A 54 39.748 18.375 40.639 1.00 8.64 H new ATOM 558 N ALA A 55 37.285 18.829 42.916 1.00 13.16 N ATOM 559 CA ALA A 55 36.735 19.614 44.048 1.00 11.28 C ATOM 560 C ALA A 55 36.162 20.963 43.537 1.00 13.21 C ATOM 561 O ALA A 55 36.650 21.577 42.608 1.00 13.66 O ATOM 562 CB ALA A 55 37.862 19.848 45.017 1.00 7.52 C ATOM 0 H ALA A 55 38.096 19.027 42.709 1.00 13.16 H new ATOM 0 HA ALA A 55 36.010 19.136 44.481 1.00 11.28 H new ATOM 0 HB1 ALA A 55 37.537 20.361 45.774 1.00 7.52 H new ATOM 0 HB2 ALA A 55 38.204 18.995 45.328 1.00 7.52 H new ATOM 0 HB3 ALA A 55 38.572 20.339 44.575 1.00 7.52 H new ATOM 568 N ALA A 56 35.117 21.433 44.165 1.00 9.66 N ATOM 569 CA ALA A 56 34.503 22.734 43.738 1.00 7.22 C ATOM 570 C ALA A 56 35.417 23.894 43.998 1.00 13.61 C ATOM 571 O ALA A 56 35.253 24.921 43.366 1.00 21.88 O ATOM 572 CB ALA A 56 33.253 22.991 44.491 1.00 9.22 C ATOM 0 H ALA A 56 34.731 21.048 44.830 1.00 9.66 H new ATOM 0 HA ALA A 56 34.331 22.655 42.787 1.00 7.22 H new ATOM 0 HB1 ALA A 56 32.869 23.834 44.204 1.00 9.22 H new ATOM 0 HB2 ALA A 56 32.621 22.275 44.323 1.00 9.22 H new ATOM 0 HB3 ALA A 56 33.449 23.032 45.440 1.00 9.22 H new ATOM 578 N HIS A 57 36.363 23.756 44.889 1.00 18.01 N ATOM 579 CA HIS A 57 37.234 24.933 45.114 1.00 18.43 C ATOM 580 C HIS A 57 38.349 24.970 44.068 1.00 19.90 C ATOM 581 O HIS A 57 39.256 25.768 44.141 1.00 21.79 O ATOM 582 CB HIS A 57 37.812 24.901 46.565 1.00 28.11 C ATOM 583 CG HIS A 57 38.824 23.804 46.911 1.00 37.84 C ATOM 584 ND1 HIS A 57 38.625 22.765 47.667 1.00 39.90 N ATOM 585 CD2 HIS A 57 40.149 23.689 46.511 1.00 42.92 C ATOM 586 CE1 HIS A 57 39.721 22.068 47.722 1.00 40.73 C ATOM 587 NE2 HIS A 57 40.689 22.597 47.016 1.00 42.31 N ATOM 0 H HIS A 57 36.530 23.053 45.356 1.00 18.01 H new ATOM 0 HA HIS A 57 36.710 25.744 45.019 1.00 18.43 H new ATOM 0 HB2 HIS A 57 38.232 25.758 46.737 1.00 28.11 H new ATOM 0 HB3 HIS A 57 37.066 24.823 47.180 1.00 28.11 H new ATOM 0 HD1 HIS A 57 37.888 22.571 48.066 1.00 39.90 H new ATOM 0 HD2 HIS A 57 40.593 24.296 45.964 1.00 42.92 H new ATOM 0 HE1 HIS A 57 39.808 21.281 48.209 1.00 40.73 H new ATOM 595 N CYS A 58 38.256 24.108 43.096 1.00 16.69 N ATOM 596 CA CYS A 58 39.276 24.070 42.011 1.00 11.78 C ATOM 597 C CYS A 58 38.616 24.727 40.826 1.00 14.74 C ATOM 598 O CYS A 58 39.203 24.833 39.769 1.00 13.28 O ATOM 599 CB CYS A 58 39.621 22.645 41.597 1.00 12.30 C ATOM 600 SG CYS A 58 40.583 21.747 42.790 1.00 11.84 S ATOM 0 H CYS A 58 37.626 23.528 43.020 1.00 16.69 H new ATOM 0 HA CYS A 58 40.091 24.501 42.311 1.00 11.78 H new ATOM 0 HB2 CYS A 58 38.798 22.160 41.430 1.00 12.30 H new ATOM 0 HB3 CYS A 58 40.109 22.672 40.759 1.00 12.30 H new ATOM 605 N TYR A 59 37.401 25.168 40.987 1.00 15.15 N ATOM 606 CA TYR A 59 36.768 25.796 39.812 1.00 15.12 C ATOM 607 C TYR A 59 37.566 27.022 39.394 1.00 16.37 C ATOM 608 O TYR A 59 37.984 27.805 40.221 1.00 15.25 O ATOM 609 CB TYR A 59 35.264 26.160 40.172 1.00 17.43 C ATOM 610 CG TYR A 59 34.697 27.020 39.045 1.00 19.79 C ATOM 611 CD1 TYR A 59 34.640 28.374 39.249 1.00 20.68 C ATOM 612 CD2 TYR A 59 34.296 26.504 37.830 1.00 20.68 C ATOM 613 CE1 TYR A 59 34.196 29.206 38.260 1.00 24.04 C ATOM 614 CE2 TYR A 59 33.850 27.344 36.834 1.00 25.23 C ATOM 615 CZ TYR A 59 33.802 28.704 37.057 1.00 24.43 C ATOM 616 OH TYR A 59 33.365 29.588 36.104 1.00 30.26 O ATOM 0 H TYR A 59 36.933 25.130 41.707 1.00 15.15 H new ATOM 0 HA TYR A 59 36.761 25.184 39.060 1.00 15.12 H new ATOM 0 HB2 TYR A 59 34.737 25.353 40.279 1.00 17.43 H new ATOM 0 HB3 TYR A 59 35.224 26.638 41.015 1.00 17.43 H new ATOM 0 HD1 TYR A 59 34.905 28.729 40.066 1.00 20.68 H new ATOM 0 HD2 TYR A 59 34.327 25.586 37.683 1.00 20.68 H new ATOM 0 HE1 TYR A 59 34.163 30.123 38.410 1.00 24.04 H new ATOM 0 HE2 TYR A 59 33.582 26.996 36.014 1.00 25.23 H new ATOM 0 HH TYR A 59 33.151 29.168 35.409 1.00 30.26 H new ATOM 626 N LYS A 60 37.721 27.076 38.097 1.00 19.37 N ATOM 627 CA LYS A 60 38.424 28.123 37.309 1.00 22.42 C ATOM 628 C LYS A 60 37.775 27.944 35.961 1.00 23.57 C ATOM 629 O LYS A 60 37.237 26.900 35.638 1.00 22.87 O ATOM 630 CB LYS A 60 39.916 27.920 36.973 1.00 23.25 C ATOM 631 CG LYS A 60 40.788 28.175 38.163 1.00 26.42 C ATOM 632 CD LYS A 60 42.274 28.216 37.696 1.00 27.69 C ATOM 633 CE LYS A 60 43.168 28.454 38.939 1.00 29.81 C ATOM 634 NZ LYS A 60 44.600 28.305 38.579 0.33 29.14 N ATOM 0 H LYS A 60 37.400 26.461 37.589 1.00 19.37 H new ATOM 0 HA LYS A 60 38.369 28.950 37.814 1.00 22.42 H new ATOM 0 HB2 LYS A 60 40.057 27.014 36.656 1.00 23.25 H new ATOM 0 HB3 LYS A 60 40.170 28.516 36.251 1.00 23.25 H new ATOM 0 HG2 LYS A 60 40.545 29.014 38.584 1.00 26.42 H new ATOM 0 HG3 LYS A 60 40.663 27.478 38.826 1.00 26.42 H new ATOM 0 HD2 LYS A 60 42.515 27.383 37.261 1.00 27.69 H new ATOM 0 HD3 LYS A 60 42.404 28.924 37.045 1.00 27.69 H new ATOM 0 HE2 LYS A 60 43.008 29.342 39.295 1.00 29.81 H new ATOM 0 HE3 LYS A 60 42.936 27.822 39.638 1.00 29.81 H new ATOM 0 HZ1 LYS A 60 45.013 27.816 39.198 0.33 29.14 H new ATOM 0 HZ2 LYS A 60 44.667 27.901 37.789 0.33 29.14 H new ATOM 0 HZ3 LYS A 60 44.980 29.108 38.534 0.33 29.14 H new ATOM 648 N SER A 61 37.887 28.979 35.206 1.00 26.97 N ATOM 649 CA SER A 61 37.320 28.999 33.845 1.00 26.64 C ATOM 650 C SER A 61 38.600 28.737 33.025 1.00 27.79 C ATOM 651 O SER A 61 39.701 29.015 33.476 1.00 31.67 O ATOM 652 CB SER A 61 36.682 30.415 33.666 1.00 26.44 C ATOM 653 OG SER A 61 36.270 30.486 32.319 0.01 23.77 O ATOM 0 H SER A 61 38.287 29.704 35.438 1.00 26.97 H new ATOM 0 HA SER A 61 36.620 28.372 33.605 1.00 26.64 H new ATOM 0 HB2 SER A 61 35.930 30.536 34.266 1.00 26.44 H new ATOM 0 HB3 SER A 61 37.323 31.114 33.871 1.00 26.44 H new ATOM 0 HG SER A 61 35.917 31.234 32.173 0.01 23.77 H new ATOM 659 N GLY A 62 38.402 28.204 31.859 1.00 29.20 N ATOM 660 CA GLY A 62 39.530 27.882 30.930 1.00 28.41 C ATOM 661 C GLY A 62 40.356 26.700 31.412 1.00 29.33 C ATOM 662 O GLY A 62 41.567 26.776 31.414 1.00 33.14 O ATOM 0 H GLY A 62 37.624 28.005 31.551 1.00 29.20 H new ATOM 0 HA2 GLY A 62 39.175 27.687 30.049 1.00 28.41 H new ATOM 0 HA3 GLY A 62 40.103 28.659 30.840 1.00 28.41 H new ATOM 666 N ILE A 63 39.713 25.632 31.785 1.00 28.31 N ATOM 667 CA ILE A 63 40.490 24.459 32.269 1.00 24.55 C ATOM 668 C ILE A 63 40.858 23.483 31.140 1.00 19.14 C ATOM 669 O ILE A 63 40.076 23.215 30.256 1.00 19.93 O ATOM 670 CB ILE A 63 39.612 23.703 33.408 1.00 25.21 C ATOM 671 CG1 ILE A 63 39.446 24.620 34.684 1.00 26.20 C ATOM 672 CG2 ILE A 63 40.224 22.319 33.855 1.00 23.13 C ATOM 673 CD1 ILE A 63 38.492 23.945 35.732 1.00 25.03 C ATOM 0 H ILE A 63 38.858 25.537 31.778 1.00 28.31 H new ATOM 0 HA ILE A 63 41.330 24.777 32.635 1.00 24.55 H new ATOM 0 HB ILE A 63 38.750 23.526 33.000 1.00 25.21 H new ATOM 0 HG12 ILE A 63 40.313 24.782 35.087 1.00 26.20 H new ATOM 0 HG13 ILE A 63 39.089 25.483 34.423 1.00 26.20 H new ATOM 0 HG21 ILE A 63 39.658 21.918 34.533 1.00 23.13 H new ATOM 0 HG22 ILE A 63 40.279 21.727 33.089 1.00 23.13 H new ATOM 0 HG23 ILE A 63 41.112 22.460 34.218 1.00 23.13 H new ATOM 0 HD11 ILE A 63 38.403 24.522 36.507 1.00 25.03 H new ATOM 0 HD12 ILE A 63 37.620 23.804 35.332 1.00 25.03 H new ATOM 0 HD13 ILE A 63 38.864 23.092 36.006 1.00 25.03 H new ATOM 685 N GLN A 64 42.046 22.974 31.205 1.00 17.96 N ATOM 686 CA GLN A 64 42.511 22.004 30.202 1.00 18.01 C ATOM 687 C GLN A 64 42.824 20.840 31.148 1.00 16.45 C ATOM 688 O GLN A 64 43.404 21.005 32.213 1.00 13.69 O ATOM 689 CB GLN A 64 43.801 22.406 29.484 1.00 19.37 C ATOM 690 CG GLN A 64 44.119 21.231 28.524 1.00 21.40 C ATOM 691 CD GLN A 64 45.382 21.484 27.736 1.00 20.52 C ATOM 692 OE1 GLN A 64 46.460 21.568 28.272 1.00 23.17 O ATOM 693 NE2 GLN A 64 45.329 21.613 26.454 1.00 24.77 N ATOM 0 H GLN A 64 42.621 23.162 31.816 1.00 17.96 H new ATOM 0 HA GLN A 64 41.877 21.863 29.482 1.00 18.01 H new ATOM 0 HB2 GLN A 64 43.685 23.236 28.995 1.00 19.37 H new ATOM 0 HB3 GLN A 64 44.524 22.547 30.116 1.00 19.37 H new ATOM 0 HG2 GLN A 64 44.214 20.412 29.034 1.00 21.40 H new ATOM 0 HG3 GLN A 64 43.376 21.101 27.914 1.00 21.40 H new ATOM 0 HE21 GLN A 64 44.573 21.557 26.047 1.00 24.77 H new ATOM 0 HE22 GLN A 64 46.049 21.755 26.006 1.00 24.77 H new ATOM 702 N VAL A 65 42.422 19.691 30.692 1.00 17.45 N ATOM 703 CA VAL A 65 42.593 18.428 31.415 1.00 13.40 C ATOM 704 C VAL A 65 43.680 17.697 30.689 1.00 10.11 C ATOM 705 O VAL A 65 43.709 17.620 29.471 1.00 11.91 O ATOM 706 CB VAL A 65 41.233 17.646 31.360 1.00 11.61 C ATOM 707 CG1 VAL A 65 41.334 16.377 32.192 1.00 13.85 C ATOM 708 CG2 VAL A 65 40.023 18.501 31.875 1.00 10.44 C ATOM 0 H VAL A 65 42.028 19.601 29.933 1.00 17.45 H new ATOM 0 HA VAL A 65 42.830 18.543 32.349 1.00 13.40 H new ATOM 0 HB VAL A 65 41.068 17.432 30.428 1.00 11.61 H new ATOM 0 HG11 VAL A 65 40.492 15.898 32.155 1.00 13.85 H new ATOM 0 HG12 VAL A 65 42.041 15.814 31.840 1.00 13.85 H new ATOM 0 HG13 VAL A 65 41.533 16.608 33.113 1.00 13.85 H new ATOM 0 HG21 VAL A 65 39.209 17.976 31.821 1.00 10.44 H new ATOM 0 HG22 VAL A 65 40.179 18.761 32.796 1.00 10.44 H new ATOM 0 HG23 VAL A 65 39.931 19.296 31.326 1.00 10.44 H new ATOM 718 N ARG A 66 44.563 17.186 31.477 1.00 11.28 N ATOM 719 CA ARG A 66 45.708 16.414 30.941 1.00 14.82 C ATOM 720 C ARG A 66 45.561 15.038 31.552 1.00 12.09 C ATOM 721 O ARG A 66 45.531 14.915 32.775 1.00 12.21 O ATOM 722 CB ARG A 66 47.069 17.091 31.369 1.00 11.95 C ATOM 723 CG ARG A 66 47.134 18.468 30.660 1.00 12.36 C ATOM 724 CD ARG A 66 48.475 19.201 30.866 1.00 13.77 C ATOM 725 NE ARG A 66 48.487 20.410 29.977 1.00 14.47 N ATOM 726 CZ ARG A 66 49.551 20.747 29.290 1.00 18.13 C ATOM 727 NH1 ARG A 66 50.711 20.438 29.779 1.00 21.17 N ATOM 728 NH2 ARG A 66 49.454 21.376 28.146 1.00 19.65 N ATOM 0 H ARG A 66 44.547 17.257 32.334 1.00 11.28 H new ATOM 0 HA ARG A 66 45.716 16.376 29.972 1.00 14.82 H new ATOM 0 HB2 ARG A 66 47.111 17.199 32.332 1.00 11.95 H new ATOM 0 HB3 ARG A 66 47.823 16.537 31.113 1.00 11.95 H new ATOM 0 HG2 ARG A 66 46.985 18.342 29.710 1.00 12.36 H new ATOM 0 HG3 ARG A 66 46.413 19.028 30.989 1.00 12.36 H new ATOM 0 HD2 ARG A 66 48.579 19.462 31.794 1.00 13.77 H new ATOM 0 HD3 ARG A 66 49.218 18.615 30.651 1.00 13.77 H new ATOM 0 HE ARG A 66 47.778 20.894 29.917 1.00 14.47 H new ATOM 0 HH11 ARG A 66 50.764 20.025 30.531 1.00 21.17 H new ATOM 0 HH12 ARG A 66 51.427 20.646 29.351 1.00 21.17 H new ATOM 0 HH21 ARG A 66 48.680 21.577 27.830 1.00 19.65 H new ATOM 0 HH22 ARG A 66 50.164 21.588 27.710 1.00 19.65 H new ATOM 742 N LEU A 67 45.463 14.038 30.692 1.00 12.63 N ATOM 743 CA LEU A 67 45.319 12.636 31.122 1.00 15.80 C ATOM 744 C LEU A 67 46.645 11.886 30.780 1.00 14.42 C ATOM 745 O LEU A 67 47.397 12.368 29.955 1.00 11.29 O ATOM 746 CB ALEU A 67 44.132 11.985 30.334 0.51 16.14 C ATOM 747 CB BLEU A 67 44.114 11.955 30.396 0.62 17.53 C ATOM 748 CG ALEU A 67 42.834 12.871 30.279 0.51 16.55 C ATOM 749 CG BLEU A 67 42.765 12.687 30.700 0.62 16.27 C ATOM 750 CD1ALEU A 67 41.764 12.270 29.366 0.51 18.26 C ATOM 751 CD1BLEU A 67 42.433 13.714 29.597 0.62 16.70 C ATOM 752 CD2ALEU A 67 42.250 12.978 31.653 0.51 19.62 C ATOM 753 CD2BLEU A 67 41.597 11.671 30.827 0.62 17.08 C ATOM 0 H LEU A 67 45.477 14.143 29.838 1.00 12.63 H new ATOM 0 HA LEU A 67 45.141 12.584 32.074 1.00 15.80 H new ATOM 0 HB2ALEU A 67 44.423 11.798 29.428 0.51 17.53 H new ATOM 0 HB2BLEU A 67 44.272 11.952 29.439 0.62 17.53 H new ATOM 0 HB3ALEU A 67 43.913 11.133 30.744 0.51 17.53 H new ATOM 0 HB3BLEU A 67 44.050 11.028 30.675 0.62 17.53 H new ATOM 0 HG ALEU A 67 43.093 13.738 29.930 0.51 16.27 H new ATOM 0 HG BLEU A 67 42.872 13.153 31.544 0.62 16.27 H new ATOM 0 HD11ALEU A 67 40.983 12.845 29.360 0.51 16.70 H new ATOM 0 HD11BLEU A 67 41.594 14.154 29.806 0.62 16.70 H new ATOM 0 HD12ALEU A 67 42.114 12.192 28.465 0.51 16.70 H new ATOM 0 HD12BLEU A 67 43.141 14.375 29.546 0.62 16.70 H new ATOM 0 HD13ALEU A 67 41.516 11.391 29.693 0.51 16.70 H new ATOM 0 HD13BLEU A 67 42.355 13.259 28.744 0.62 16.70 H new ATOM 0 HD21ALEU A 67 41.449 13.524 31.623 0.51 17.08 H new ATOM 0 HD21BLEU A 67 40.773 12.147 31.015 0.62 17.08 H new ATOM 0 HD22ALEU A 67 42.025 12.093 31.979 0.51 17.08 H new ATOM 0 HD22BLEU A 67 41.504 11.179 29.996 0.62 17.08 H new ATOM 0 HD23ALEU A 67 42.897 13.387 32.249 0.51 17.08 H new ATOM 0 HD23BLEU A 67 41.784 11.051 31.549 0.62 17.08 H new ATOM 774 N GLY A 69 46.889 10.799 31.366 1.00 15.49 N ATOM 775 CA GLY A 69 48.109 9.943 31.147 1.00 16.93 C ATOM 776 C GLY A 69 49.408 10.684 31.430 1.00 19.40 C ATOM 777 O GLY A 69 50.393 10.525 30.728 1.00 20.55 O ATOM 0 H GLY A 69 46.353 10.466 31.950 1.00 15.49 H new ATOM 0 HA2 GLY A 69 48.057 9.161 31.718 1.00 16.93 H new ATOM 0 HA3 GLY A 69 48.116 9.625 30.231 1.00 16.93 H new ATOM 781 N GLU A 70 49.352 11.468 32.479 1.00 23.47 N ATOM 782 CA GLU A 70 50.495 12.302 32.948 1.00 28.95 C ATOM 783 C GLU A 70 51.205 11.637 34.090 1.00 31.61 C ATOM 784 O GLU A 70 50.580 11.051 34.949 1.00 33.34 O ATOM 785 CB GLU A 70 50.065 13.666 33.544 1.00 29.35 C ATOM 786 CG GLU A 70 49.669 14.657 32.480 1.00 31.40 C ATOM 787 CD GLU A 70 50.916 15.336 31.840 0.84 29.97 C ATOM 788 OE1 GLU A 70 50.663 16.362 31.233 0.84 31.54 O ATOM 789 OE2 GLU A 70 52.024 14.830 31.968 0.84 27.11 O ATOM 0 H GLU A 70 48.647 11.550 32.964 1.00 23.47 H new ATOM 0 HA GLU A 70 51.040 12.419 32.154 1.00 28.95 H new ATOM 0 HB2 GLU A 70 49.320 13.531 34.150 1.00 29.35 H new ATOM 0 HB3 GLU A 70 50.795 14.032 34.068 1.00 29.35 H new ATOM 0 HG2 GLU A 70 49.155 14.206 31.791 1.00 31.40 H new ATOM 0 HG3 GLU A 70 49.092 15.335 32.866 1.00 31.40 H new ATOM 796 N ASP A 71 52.489 11.760 34.062 1.00 33.92 N ATOM 797 CA ASP A 71 53.311 11.173 35.142 1.00 38.70 C ATOM 798 C ASP A 71 54.113 12.392 35.524 1.00 35.02 C ATOM 799 O ASP A 71 53.991 12.854 36.637 1.00 33.26 O ATOM 800 CB ASP A 71 54.172 10.000 34.599 1.00 44.42 C ATOM 801 CG ASP A 71 53.157 8.855 34.255 1.00 53.05 C ATOM 802 OD1 ASP A 71 52.607 8.297 35.206 1.00 58.77 O ATOM 803 OD2 ASP A 71 52.977 8.597 33.067 1.00 61.63 O ATOM 0 H ASP A 71 52.930 12.169 33.447 1.00 33.92 H new ATOM 0 HA ASP A 71 52.835 10.769 35.884 1.00 38.70 H new ATOM 0 HB2 ASP A 71 54.673 10.270 33.813 1.00 44.42 H new ATOM 0 HB3 ASP A 71 54.818 9.706 35.260 1.00 44.42 H new ATOM 808 N ASN A 72 54.891 12.931 34.619 1.00 33.65 N ATOM 809 CA ASN A 72 55.720 14.154 34.946 1.00 27.74 C ATOM 810 C ASN A 72 54.967 15.312 34.344 1.00 22.32 C ATOM 811 O ASN A 72 54.852 15.346 33.148 1.00 19.10 O ATOM 812 CB ASN A 72 57.096 14.090 34.297 1.00 27.05 C ATOM 813 CG ASN A 72 57.953 15.245 34.805 1.00 27.67 C ATOM 814 OD1 ASN A 72 57.529 16.368 34.954 1.00 23.81 O ATOM 815 ND2 ASN A 72 59.198 15.038 35.102 1.00 31.53 N ATOM 0 H ASN A 72 54.978 12.639 33.815 1.00 33.65 H new ATOM 0 HA ASN A 72 55.852 14.229 35.904 1.00 27.74 H new ATOM 0 HB2 ASN A 72 57.522 13.243 34.503 1.00 27.05 H new ATOM 0 HB3 ASN A 72 57.011 14.138 33.332 1.00 27.05 H new ATOM 0 HD21 ASN A 72 59.684 15.686 35.391 1.00 31.53 H new ATOM 0 HD22 ASN A 72 59.537 14.253 35.010 1.00 31.53 H new ATOM 822 N ILE A 73 54.471 16.220 35.120 1.00 24.42 N ATOM 823 CA ILE A 73 53.719 17.345 34.469 1.00 25.99 C ATOM 824 C ILE A 73 54.586 18.367 33.743 1.00 24.37 C ATOM 825 O ILE A 73 54.042 19.281 33.142 1.00 22.71 O ATOM 826 CB ILE A 73 52.854 18.068 35.537 1.00 28.18 C ATOM 827 CG1 ILE A 73 53.698 18.477 36.789 1.00 30.96 C ATOM 828 CG2 ILE A 73 51.686 17.105 35.886 1.00 32.29 C ATOM 829 CD1 ILE A 73 52.763 18.957 37.947 1.00 31.78 C ATOM 0 H ILE A 73 54.530 16.243 35.978 1.00 24.42 H new ATOM 0 HA ILE A 73 53.173 16.933 33.782 1.00 25.99 H new ATOM 0 HB ILE A 73 52.504 18.905 35.194 1.00 28.18 H new ATOM 0 HG12 ILE A 73 54.230 17.723 37.087 1.00 30.96 H new ATOM 0 HG13 ILE A 73 54.317 19.185 36.551 1.00 30.96 H new ATOM 0 HG21 ILE A 73 51.115 17.517 36.554 1.00 32.29 H new ATOM 0 HG22 ILE A 73 51.168 16.922 35.087 1.00 32.29 H new ATOM 0 HG23 ILE A 73 52.045 16.274 36.236 1.00 32.29 H new ATOM 0 HD11 ILE A 73 53.301 19.207 38.715 1.00 31.78 H new ATOM 0 HD12 ILE A 73 52.248 19.724 37.651 1.00 31.78 H new ATOM 0 HD13 ILE A 73 52.160 18.239 38.195 1.00 31.78 H new ATOM 841 N ASN A 74 55.878 18.222 33.798 1.00 20.50 N ATOM 842 CA ASN A 74 56.747 19.204 33.088 1.00 20.42 C ATOM 843 C ASN A 74 57.428 18.563 31.888 1.00 18.43 C ATOM 844 O ASN A 74 58.219 19.232 31.253 1.00 21.15 O ATOM 845 CB ASN A 74 57.851 19.779 34.024 1.00 19.75 C ATOM 846 CG ASN A 74 57.308 21.009 34.754 1.00 19.82 C ATOM 847 OD1 ASN A 74 56.559 21.814 34.219 1.00 17.03 O ATOM 848 ND2 ASN A 74 57.659 21.210 35.983 1.00 20.91 N ATOM 0 H ASN A 74 56.290 17.595 34.218 1.00 20.50 H new ATOM 0 HA ASN A 74 56.166 19.924 32.796 1.00 20.42 H new ATOM 0 HB2 ASN A 74 58.128 19.106 34.665 1.00 19.75 H new ATOM 0 HB3 ASN A 74 58.636 20.018 33.506 1.00 19.75 H new ATOM 0 HD21 ASN A 74 57.366 21.899 36.407 1.00 20.91 H new ATOM 0 HD22 ASN A 74 58.185 20.655 36.376 1.00 20.91 H new ATOM 855 N VAL A 75 57.122 17.326 31.591 1.00 16.72 N ATOM 856 CA VAL A 75 57.734 16.593 30.427 1.00 19.11 C ATOM 857 C VAL A 75 56.662 15.869 29.638 1.00 20.57 C ATOM 858 O VAL A 75 55.936 15.103 30.235 1.00 21.22 O ATOM 859 CB VAL A 75 58.741 15.521 30.920 1.00 19.55 C ATOM 860 CG1 VAL A 75 59.388 14.796 29.717 1.00 19.00 C ATOM 861 CG2 VAL A 75 59.828 16.175 31.799 1.00 19.94 C ATOM 0 H VAL A 75 56.556 16.858 32.039 1.00 16.72 H new ATOM 0 HA VAL A 75 58.183 17.252 29.876 1.00 19.11 H new ATOM 0 HB VAL A 75 58.262 14.867 31.453 1.00 19.55 H new ATOM 0 HG11 VAL A 75 60.015 14.129 30.039 1.00 19.00 H new ATOM 0 HG12 VAL A 75 58.698 14.363 29.191 1.00 19.00 H new ATOM 0 HG13 VAL A 75 59.858 15.441 29.165 1.00 19.00 H new ATOM 0 HG21 VAL A 75 60.452 15.496 32.101 1.00 19.94 H new ATOM 0 HG22 VAL A 75 60.304 16.843 31.282 1.00 19.94 H new ATOM 0 HG23 VAL A 75 59.413 16.597 32.567 1.00 19.94 H new ATOM 871 N VAL A 76 56.583 16.083 28.355 1.00 24.92 N ATOM 872 CA VAL A 76 55.541 15.372 27.574 1.00 30.68 C ATOM 873 C VAL A 76 56.277 14.059 27.210 1.00 34.85 C ATOM 874 O VAL A 76 57.285 14.102 26.529 1.00 35.52 O ATOM 875 CB VAL A 76 55.167 16.225 26.318 1.00 31.64 C ATOM 876 CG1 VAL A 76 54.295 15.412 25.321 1.00 37.08 C ATOM 877 CG2 VAL A 76 54.303 17.409 26.772 1.00 30.56 C ATOM 0 H VAL A 76 57.091 16.612 27.906 1.00 24.92 H new ATOM 0 HA VAL A 76 54.701 15.214 28.032 1.00 30.68 H new ATOM 0 HB VAL A 76 55.993 16.502 25.891 1.00 31.64 H new ATOM 0 HG11 VAL A 76 54.079 15.965 24.554 1.00 37.08 H new ATOM 0 HG12 VAL A 76 54.785 14.629 25.026 1.00 37.08 H new ATOM 0 HG13 VAL A 76 53.476 15.134 25.760 1.00 37.08 H new ATOM 0 HG21 VAL A 76 54.063 17.948 26.002 1.00 30.56 H new ATOM 0 HG22 VAL A 76 53.497 17.077 27.198 1.00 30.56 H new ATOM 0 HG23 VAL A 76 54.802 17.951 27.403 1.00 30.56 H new ATOM 887 N GLU A 77 55.767 12.939 27.661 1.00 37.23 N ATOM 888 CA GLU A 77 56.396 11.611 27.382 1.00 38.03 C ATOM 889 C GLU A 77 55.567 10.852 26.360 1.00 39.39 C ATOM 890 O GLU A 77 55.481 9.649 26.366 1.00 44.37 O ATOM 891 CB GLU A 77 56.483 10.856 28.741 1.00 41.11 C ATOM 892 CG GLU A 77 57.442 11.624 29.760 1.00 45.09 C ATOM 893 CD GLU A 77 57.159 11.292 31.269 1.00 45.34 C ATOM 894 OE1 GLU A 77 56.086 11.666 31.721 1.00 46.27 O ATOM 895 OE2 GLU A 77 58.018 10.692 31.900 1.00 46.46 O ATOM 0 H GLU A 77 55.052 12.897 28.137 1.00 37.23 H new ATOM 0 HA GLU A 77 57.285 11.705 27.005 1.00 38.03 H new ATOM 0 HB2 GLU A 77 55.597 10.772 29.126 1.00 41.11 H new ATOM 0 HB3 GLU A 77 56.815 9.956 28.595 1.00 41.11 H new ATOM 0 HG2 GLU A 77 58.363 11.400 29.555 1.00 45.09 H new ATOM 0 HG3 GLU A 77 57.346 12.580 29.624 1.00 45.09 H new ATOM 902 N GLY A 78 54.950 11.563 25.474 1.00 38.58 N ATOM 903 CA GLY A 78 54.116 10.886 24.422 1.00 40.11 C ATOM 904 C GLY A 78 52.939 10.063 24.919 1.00 40.62 C ATOM 905 O GLY A 78 52.324 9.376 24.143 1.00 43.35 O ATOM 0 H GLY A 78 54.973 12.421 25.429 1.00 38.58 H new ATOM 0 HA2 GLY A 78 53.778 11.566 23.818 1.00 40.11 H new ATOM 0 HA3 GLY A 78 54.694 10.306 23.902 1.00 40.11 H new ATOM 909 N ASN A 79 52.602 10.112 26.168 1.00 41.05 N ATOM 910 CA ASN A 79 51.430 9.291 26.655 1.00 39.01 C ATOM 911 C ASN A 79 50.266 10.164 27.043 1.00 33.10 C ATOM 912 O ASN A 79 49.276 9.673 27.561 1.00 34.51 O ATOM 913 CB ASN A 79 51.713 8.539 27.950 1.00 43.52 C ATOM 914 CG ASN A 79 53.159 8.240 28.118 1.00 46.13 C ATOM 915 OD1 ASN A 79 53.680 7.222 27.498 1.00 49.60 O flip ATOM 916 ND2 ASN A 79 53.818 8.966 28.831 1.00 48.52 N flip ATOM 0 H ASN A 79 52.997 10.585 26.768 1.00 41.05 H new ATOM 0 HA ASN A 79 51.252 8.695 25.911 1.00 39.01 H new ATOM 0 HB2 ASN A 79 51.403 9.066 28.703 1.00 43.52 H new ATOM 0 HB3 ASN A 79 51.209 7.710 27.958 1.00 43.52 H new ATOM 0 HD21 ASN A 79 53.446 9.632 29.228 1.00 48.52 H new ATOM 0 HD22 ASN A 79 54.658 8.815 28.940 1.00 48.52 H new ATOM 923 N GLU A 80 50.351 11.409 26.771 1.00 25.87 N ATOM 924 CA GLU A 80 49.226 12.238 27.217 1.00 25.37 C ATOM 925 C GLU A 80 48.191 12.600 26.266 1.00 22.20 C ATOM 926 O GLU A 80 48.386 12.481 25.084 1.00 23.03 O ATOM 927 CB GLU A 80 49.804 13.503 27.797 1.00 25.98 C ATOM 928 CG GLU A 80 50.905 13.143 28.784 1.00 27.53 C ATOM 929 CD GLU A 80 52.295 13.273 28.146 1.00 28.30 C ATOM 930 OE1 GLU A 80 52.488 12.967 26.979 1.00 26.90 O ATOM 931 OE2 GLU A 80 53.124 13.692 28.931 1.00 32.00 O ATOM 0 H GLU A 80 50.993 11.806 26.358 1.00 25.87 H new ATOM 0 HA GLU A 80 48.750 11.668 27.842 1.00 25.37 H new ATOM 0 HB2 GLU A 80 50.159 14.063 27.089 1.00 25.98 H new ATOM 0 HB3 GLU A 80 49.110 14.014 28.242 1.00 25.98 H new ATOM 0 HG2 GLU A 80 50.848 13.722 29.560 1.00 27.53 H new ATOM 0 HG3 GLU A 80 50.775 12.235 29.098 1.00 27.53 H new ATOM 938 N GLN A 81 47.114 13.029 26.851 1.00 20.39 N ATOM 939 CA GLN A 81 45.944 13.483 26.099 1.00 16.91 C ATOM 940 C GLN A 81 45.684 14.816 26.795 1.00 16.92 C ATOM 941 O GLN A 81 45.537 14.846 28.006 1.00 17.07 O ATOM 942 CB GLN A 81 44.749 12.502 26.280 1.00 18.04 C ATOM 943 CG GLN A 81 45.078 11.163 25.595 1.00 19.95 C ATOM 944 CD GLN A 81 43.906 10.203 25.770 1.00 22.37 C ATOM 945 OE1 GLN A 81 42.793 10.515 25.399 1.00 25.76 O ATOM 946 NE2 GLN A 81 44.090 9.045 26.321 1.00 23.21 N ATOM 0 H GLN A 81 47.021 13.073 27.705 1.00 20.39 H new ATOM 0 HA GLN A 81 46.066 13.542 25.139 1.00 16.91 H new ATOM 0 HB2 GLN A 81 44.574 12.360 27.224 1.00 18.04 H new ATOM 0 HB3 GLN A 81 43.944 12.883 25.897 1.00 18.04 H new ATOM 0 HG2 GLN A 81 45.254 11.305 24.652 1.00 19.95 H new ATOM 0 HG3 GLN A 81 45.882 10.781 25.979 1.00 19.95 H new ATOM 0 HE21 GLN A 81 44.875 8.815 26.587 1.00 23.21 H new ATOM 0 HE22 GLN A 81 43.427 8.506 26.421 1.00 23.21 H new ATOM 955 N PHE A 82 45.648 15.882 26.050 1.00 17.19 N ATOM 956 CA PHE A 82 45.392 17.243 26.621 1.00 20.83 C ATOM 957 C PHE A 82 44.039 17.596 26.034 1.00 17.20 C ATOM 958 O PHE A 82 43.986 17.781 24.837 1.00 17.08 O ATOM 959 CB PHE A 82 46.505 18.178 26.137 1.00 22.07 C ATOM 960 CG PHE A 82 47.876 17.826 26.748 1.00 28.42 C ATOM 961 CD1 PHE A 82 48.998 18.480 26.279 1.00 30.24 C ATOM 962 CD2 PHE A 82 48.039 16.883 27.771 1.00 30.55 C ATOM 963 CE1 PHE A 82 50.243 18.197 26.814 1.00 31.88 C ATOM 964 CE2 PHE A 82 49.274 16.605 28.301 1.00 32.36 C ATOM 965 CZ PHE A 82 50.382 17.261 27.822 1.00 31.06 C ATOM 0 H PHE A 82 45.767 15.874 25.198 1.00 17.19 H new ATOM 0 HA PHE A 82 45.387 17.302 27.589 1.00 20.83 H new ATOM 0 HB2 PHE A 82 46.564 18.133 25.170 1.00 22.07 H new ATOM 0 HB3 PHE A 82 46.277 19.093 26.365 1.00 22.07 H new ATOM 0 HD1 PHE A 82 48.917 19.112 25.602 1.00 30.24 H new ATOM 0 HD2 PHE A 82 47.293 16.435 28.099 1.00 30.55 H new ATOM 0 HE1 PHE A 82 50.994 18.641 26.492 1.00 31.88 H new ATOM 0 HE2 PHE A 82 49.360 15.976 28.981 1.00 32.36 H new ATOM 0 HZ PHE A 82 51.223 17.076 28.175 1.00 31.06 H new ATOM 975 N ILE A 83 43.009 17.660 26.831 1.00 14.69 N ATOM 976 CA ILE A 83 41.628 17.997 26.322 1.00 16.06 C ATOM 977 C ILE A 83 41.010 19.137 27.155 1.00 15.22 C ATOM 978 O ILE A 83 41.104 19.166 28.366 1.00 16.22 O ATOM 979 CB ILE A 83 40.725 16.742 26.428 1.00 16.57 C ATOM 980 CG1 ILE A 83 41.453 15.484 25.807 1.00 17.85 C ATOM 981 CG2 ILE A 83 39.309 17.009 25.742 1.00 16.15 C ATOM 982 CD1 ILE A 83 40.612 14.187 26.002 1.00 16.33 C ATOM 0 H ILE A 83 43.049 17.518 27.678 1.00 14.69 H new ATOM 0 HA ILE A 83 41.695 18.284 25.398 1.00 16.06 H new ATOM 0 HB ILE A 83 40.561 16.552 27.365 1.00 16.57 H new ATOM 0 HG12 ILE A 83 41.608 15.632 24.861 1.00 17.85 H new ATOM 0 HG13 ILE A 83 42.322 15.373 26.223 1.00 17.85 H new ATOM 0 HG21 ILE A 83 38.758 16.214 25.817 1.00 16.15 H new ATOM 0 HG22 ILE A 83 38.869 17.751 26.186 1.00 16.15 H new ATOM 0 HG23 ILE A 83 39.439 17.224 24.805 1.00 16.15 H new ATOM 0 HD11 ILE A 83 41.083 13.434 25.612 1.00 16.33 H new ATOM 0 HD12 ILE A 83 40.477 14.028 26.949 1.00 16.33 H new ATOM 0 HD13 ILE A 83 39.752 14.291 25.566 1.00 16.33 H new ATOM 994 N SER A 84 40.369 20.047 26.506 1.00 12.46 N ATOM 995 CA SER A 84 39.771 21.155 27.265 1.00 17.32 C ATOM 996 C SER A 84 38.388 20.765 27.709 1.00 16.75 C ATOM 997 O SER A 84 37.721 19.915 27.132 1.00 13.96 O ATOM 998 CB SER A 84 39.767 22.353 26.342 1.00 22.42 C ATOM 999 OG SER A 84 41.155 22.681 26.223 0.30 20.60 O ATOM 0 H SER A 84 40.255 20.069 25.654 1.00 12.46 H new ATOM 0 HA SER A 84 40.270 21.369 28.069 1.00 17.32 H new ATOM 0 HB2 SER A 84 39.374 22.140 25.481 1.00 22.42 H new ATOM 0 HB3 SER A 84 39.256 23.089 26.713 1.00 22.42 H new ATOM 0 HG SER A 84 41.244 23.346 25.718 0.30 20.60 H new ATOM 1005 N ALA A 85 38.011 21.440 28.758 1.00 19.34 N ATOM 1006 CA ALA A 85 36.674 21.208 29.373 1.00 22.00 C ATOM 1007 C ALA A 85 35.660 21.959 28.524 1.00 19.42 C ATOM 1008 O ALA A 85 35.991 23.002 28.002 1.00 18.32 O ATOM 1009 CB ALA A 85 36.707 21.755 30.820 1.00 18.56 C ATOM 0 H ALA A 85 38.489 22.039 29.148 1.00 19.34 H new ATOM 0 HA ALA A 85 36.438 20.268 29.407 1.00 22.00 H new ATOM 0 HB1 ALA A 85 35.844 21.614 31.239 1.00 18.56 H new ATOM 0 HB2 ALA A 85 37.392 21.291 31.326 1.00 18.56 H new ATOM 0 HB3 ALA A 85 36.906 22.704 30.803 1.00 18.56 H new ATOM 1015 N SER A 86 34.476 21.438 28.398 1.00 21.86 N ATOM 1016 CA SER A 86 33.444 22.127 27.586 1.00 18.70 C ATOM 1017 C SER A 86 32.596 22.837 28.643 1.00 19.37 C ATOM 1018 O SER A 86 32.081 23.900 28.351 1.00 22.66 O ATOM 1019 CB SER A 86 32.647 21.092 26.783 1.00 16.98 C ATOM 1020 OG SER A 86 32.275 20.059 27.679 1.00 17.64 O ATOM 0 H SER A 86 34.225 20.698 28.758 1.00 21.86 H new ATOM 0 HA SER A 86 33.792 22.749 26.928 1.00 18.70 H new ATOM 0 HB2 SER A 86 31.861 21.499 26.385 1.00 16.98 H new ATOM 0 HB3 SER A 86 33.182 20.738 26.056 1.00 16.98 H new ATOM 0 HG SER A 86 31.834 19.475 27.266 1.00 17.64 H new ATOM 1026 N LYS A 87 32.446 22.233 29.810 1.00 18.64 N ATOM 1027 CA LYS A 87 31.663 22.849 30.927 1.00 21.08 C ATOM 1028 C LYS A 87 32.041 22.321 32.334 1.00 16.09 C ATOM 1029 O LYS A 87 32.636 21.272 32.468 1.00 12.98 O ATOM 1030 CB ALYS A 87 30.144 22.639 30.681 0.64 23.52 C ATOM 1031 CB BLYS A 87 30.135 22.616 30.684 0.31 23.57 C ATOM 1032 CG ALYS A 87 29.610 21.206 30.759 0.64 27.19 C ATOM 1033 CG BLYS A 87 29.736 21.125 30.529 0.31 28.68 C ATOM 1034 CD ALYS A 87 28.105 21.225 30.298 0.64 31.53 C ATOM 1035 CD BLYS A 87 28.259 20.985 30.003 0.31 30.99 C ATOM 1036 CE ALYS A 87 27.266 22.359 31.024 0.64 34.03 C ATOM 1037 CE BLYS A 87 27.170 21.421 31.041 0.31 33.31 C ATOM 1038 NZ ALYS A 87 25.825 22.324 30.619 0.64 34.45 N ATOM 1039 NZ BLYS A 87 27.239 22.877 31.368 0.31 33.28 N ATOM 0 H LYS A 87 32.782 21.464 29.997 1.00 18.64 H new ATOM 0 HA LYS A 87 31.887 23.793 30.924 1.00 21.08 H new ATOM 0 HB2ALYS A 87 29.659 23.176 31.327 0.64 23.57 H new ATOM 0 HB2BLYS A 87 29.638 22.998 31.424 0.31 23.57 H new ATOM 0 HB3ALYS A 87 29.931 22.991 29.803 0.64 23.57 H new ATOM 0 HB3BLYS A 87 29.868 23.097 29.885 0.31 23.57 H new ATOM 0 HG2ALYS A 87 30.132 20.618 30.191 0.64 28.68 H new ATOM 0 HG2BLYS A 87 30.344 20.687 29.914 0.31 28.68 H new ATOM 0 HG3ALYS A 87 29.684 20.865 31.664 0.64 28.68 H new ATOM 0 HG3BLYS A 87 29.822 20.674 31.383 0.31 28.68 H new ATOM 0 HD2ALYS A 87 28.065 21.360 29.338 0.64 30.99 H new ATOM 0 HD2BLYS A 87 28.159 21.519 29.200 0.31 30.99 H new ATOM 0 HD3ALYS A 87 27.702 20.361 30.480 0.64 30.99 H new ATOM 0 HD3BLYS A 87 28.101 20.062 29.751 0.31 30.99 H new ATOM 0 HE2ALYS A 87 27.335 22.249 31.985 0.64 33.31 H new ATOM 0 HE2BLYS A 87 26.290 21.213 30.689 0.31 33.31 H new ATOM 0 HE3ALYS A 87 27.642 23.227 30.810 0.64 33.31 H new ATOM 0 HE3BLYS A 87 27.279 20.905 31.855 0.31 33.31 H new ATOM 0 HZ1ALYS A 87 25.437 23.095 30.835 0.64 33.28 H new ATOM 0 HZ1BLYS A 87 26.418 23.187 31.518 0.31 33.28 H new ATOM 0 HZ2ALYS A 87 25.766 22.199 29.740 0.64 33.28 H new ATOM 0 HZ2BLYS A 87 27.738 22.995 32.096 0.31 33.28 H new ATOM 0 HZ3ALYS A 87 25.414 21.657 31.041 0.64 33.28 H new ATOM 0 HZ3BLYS A 87 27.602 23.318 30.685 0.31 33.28 H new ATOM 1064 N SER A 88 31.690 23.061 33.344 1.00 13.76 N ATOM 1065 CA SER A 88 31.965 22.682 34.770 1.00 12.87 C ATOM 1066 C SER A 88 30.672 22.882 35.547 1.00 15.21 C ATOM 1067 O SER A 88 29.981 23.845 35.253 1.00 18.60 O ATOM 1068 CB SER A 88 32.944 23.606 35.518 1.00 15.49 C ATOM 1069 OG SER A 88 34.233 23.475 34.955 1.00 16.41 O ATOM 0 H SER A 88 31.279 23.812 33.258 1.00 13.76 H new ATOM 0 HA SER A 88 32.328 21.783 34.728 1.00 12.87 H new ATOM 0 HB2 SER A 88 32.646 24.527 35.458 1.00 15.49 H new ATOM 0 HB3 SER A 88 32.966 23.376 36.460 1.00 15.49 H new ATOM 0 HG SER A 88 34.769 23.979 35.360 1.00 16.41 H new ATOM 1075 N ILE A 89 30.401 22.013 36.484 1.00 17.99 N ATOM 1076 CA ILE A 89 29.182 22.092 37.308 1.00 12.18 C ATOM 1077 C ILE A 89 29.685 21.968 38.724 1.00 15.15 C ATOM 1078 O ILE A 89 30.278 20.952 39.015 1.00 17.53 O ATOM 1079 CB ILE A 89 28.272 20.916 36.951 1.00 12.27 C ATOM 1080 CG1 ILE A 89 27.914 20.991 35.425 1.00 14.36 C ATOM 1081 CG2 ILE A 89 26.972 20.974 37.783 1.00 12.31 C ATOM 1082 CD1 ILE A 89 27.236 19.666 34.969 1.00 16.26 C ATOM 0 H ILE A 89 30.911 21.348 36.677 1.00 17.99 H new ATOM 0 HA ILE A 89 28.673 22.907 37.176 1.00 12.18 H new ATOM 0 HB ILE A 89 28.734 20.085 37.146 1.00 12.27 H new ATOM 0 HG12 ILE A 89 27.320 21.740 35.261 1.00 14.36 H new ATOM 0 HG13 ILE A 89 28.717 21.147 34.904 1.00 14.36 H new ATOM 0 HG21 ILE A 89 26.404 20.224 37.548 1.00 12.31 H new ATOM 0 HG22 ILE A 89 27.190 20.931 38.727 1.00 12.31 H new ATOM 0 HG23 ILE A 89 26.505 21.804 37.597 1.00 12.31 H new ATOM 0 HD11 ILE A 89 27.019 19.722 34.025 1.00 16.26 H new ATOM 0 HD12 ILE A 89 27.843 18.924 35.117 1.00 16.26 H new ATOM 0 HD13 ILE A 89 26.423 19.526 35.480 1.00 16.26 H new ATOM 1094 N VAL A 90 29.464 22.958 39.532 1.00 15.17 N ATOM 1095 CA VAL A 90 29.896 22.952 40.957 1.00 11.93 C ATOM 1096 C VAL A 90 28.615 22.496 41.666 1.00 14.24 C ATOM 1097 O VAL A 90 27.528 22.856 41.258 1.00 12.80 O ATOM 1098 CB VAL A 90 30.311 24.402 41.330 1.00 16.78 C ATOM 1099 CG1 VAL A 90 30.437 24.563 42.811 1.00 18.39 C ATOM 1100 CG2 VAL A 90 31.660 24.811 40.666 1.00 16.56 C ATOM 0 H VAL A 90 29.056 23.677 39.296 1.00 15.17 H new ATOM 0 HA VAL A 90 30.653 22.388 41.181 1.00 11.93 H new ATOM 0 HB VAL A 90 29.608 24.981 40.996 1.00 16.78 H new ATOM 0 HG11 VAL A 90 30.696 25.475 43.017 1.00 18.39 H new ATOM 0 HG12 VAL A 90 29.585 24.367 43.232 1.00 18.39 H new ATOM 0 HG13 VAL A 90 31.111 23.952 43.147 1.00 18.39 H new ATOM 0 HG21 VAL A 90 31.885 25.719 40.922 1.00 16.56 H new ATOM 0 HG22 VAL A 90 32.362 24.210 40.961 1.00 16.56 H new ATOM 0 HG23 VAL A 90 31.575 24.759 39.701 1.00 16.56 H new ATOM 1110 N HIS A 91 28.738 21.729 42.700 1.00 12.65 N ATOM 1111 CA HIS A 91 27.524 21.251 43.426 1.00 15.61 C ATOM 1112 C HIS A 91 26.612 22.438 43.814 1.00 17.40 C ATOM 1113 O HIS A 91 27.120 23.418 44.319 1.00 14.13 O ATOM 1114 CB HIS A 91 27.969 20.488 44.712 1.00 14.96 C ATOM 1115 CG HIS A 91 26.843 19.719 45.363 1.00 16.76 C ATOM 1116 ND1 HIS A 91 26.105 20.221 46.330 1.00 13.79 N ATOM 1117 CD2 HIS A 91 26.454 18.431 45.071 1.00 16.31 C ATOM 1118 CE1 HIS A 91 25.268 19.261 46.617 1.00 14.04 C ATOM 1119 NE2 HIS A 91 25.474 18.217 45.882 1.00 14.80 N ATOM 0 H HIS A 91 29.487 21.457 43.022 1.00 12.65 H new ATOM 0 HA HIS A 91 27.022 20.660 42.844 1.00 15.61 H new ATOM 0 HB2 HIS A 91 28.685 19.874 44.486 1.00 14.96 H new ATOM 0 HB3 HIS A 91 28.331 21.123 45.350 1.00 14.96 H new ATOM 0 HD2 HIS A 91 26.813 17.852 44.438 1.00 16.31 H new ATOM 0 HE1 HIS A 91 24.607 19.320 47.268 1.00 14.04 H new ATOM 0 HE2 HIS A 91 25.023 17.486 45.927 1.00 14.80 H new ATOM 1127 N PRO A 92 25.315 22.330 43.605 1.00 15.61 N ATOM 1128 CA PRO A 92 24.337 23.349 44.022 1.00 18.07 C ATOM 1129 C PRO A 92 24.512 23.855 45.473 1.00 18.01 C ATOM 1130 O PRO A 92 24.310 25.032 45.736 1.00 15.72 O ATOM 1131 CB PRO A 92 22.965 22.694 43.781 1.00 20.78 C ATOM 1132 CG PRO A 92 23.265 21.186 43.730 1.00 20.54 C ATOM 1133 CD PRO A 92 24.613 21.186 42.963 1.00 18.03 C ATOM 0 HA PRO A 92 24.455 24.163 43.508 1.00 18.07 H new ATOM 0 HB2 PRO A 92 22.342 22.907 44.493 1.00 20.78 H new ATOM 0 HB3 PRO A 92 22.566 23.003 42.953 1.00 20.78 H new ATOM 0 HG2 PRO A 92 23.345 20.796 44.615 1.00 20.54 H new ATOM 0 HG3 PRO A 92 22.575 20.689 43.263 1.00 20.54 H new ATOM 0 HD2 PRO A 92 25.096 20.352 43.073 1.00 18.03 H new ATOM 0 HD3 PRO A 92 24.491 21.320 42.010 1.00 18.03 H new ATOM 1141 N SER A 93 24.876 22.967 46.356 1.00 14.42 N ATOM 1142 CA SER A 93 25.063 23.388 47.786 1.00 14.32 C ATOM 1143 C SER A 93 26.536 23.664 48.173 1.00 13.82 C ATOM 1144 O SER A 93 26.852 23.715 49.352 1.00 10.98 O ATOM 1145 CB SER A 93 24.513 22.282 48.713 1.00 19.92 C ATOM 1146 OG SER A 93 23.228 21.919 48.202 1.00 25.68 O ATOM 0 H SER A 93 25.024 22.136 46.191 1.00 14.42 H new ATOM 0 HA SER A 93 24.582 24.224 47.890 1.00 14.32 H new ATOM 0 HB2 SER A 93 25.108 21.516 48.725 1.00 19.92 H new ATOM 0 HB3 SER A 93 24.443 22.601 49.626 1.00 19.92 H new ATOM 0 HG SER A 93 22.896 21.315 48.682 1.00 25.68 H new ATOM 1152 N TYR A 94 27.428 23.842 47.233 1.00 10.10 N ATOM 1153 CA TYR A 94 28.846 24.105 47.641 1.00 10.12 C ATOM 1154 C TYR A 94 28.956 25.390 48.503 1.00 13.59 C ATOM 1155 O TYR A 94 28.508 26.459 48.113 1.00 13.35 O ATOM 1156 CB TYR A 94 29.763 24.267 46.372 1.00 7.90 C ATOM 1157 CG TYR A 94 31.198 24.722 46.783 1.00 9.19 C ATOM 1158 CD1 TYR A 94 31.740 25.836 46.202 1.00 9.01 C ATOM 1159 CD2 TYR A 94 31.961 24.039 47.720 1.00 12.01 C ATOM 1160 CE1 TYR A 94 32.991 26.277 46.526 1.00 11.87 C ATOM 1161 CE2 TYR A 94 33.229 24.473 48.059 1.00 10.94 C ATOM 1162 CZ TYR A 94 33.744 25.598 47.452 1.00 12.04 C ATOM 1163 OH TYR A 94 35.002 26.066 47.765 1.00 18.20 O ATOM 0 H TYR A 94 27.276 23.822 46.387 1.00 10.10 H new ATOM 0 HA TYR A 94 29.140 23.345 48.167 1.00 10.12 H new ATOM 0 HB2 TYR A 94 29.811 23.425 45.892 1.00 7.90 H new ATOM 0 HB3 TYR A 94 29.373 24.917 45.767 1.00 7.90 H new ATOM 0 HD1 TYR A 94 31.244 26.305 45.570 1.00 9.01 H new ATOM 0 HD2 TYR A 94 31.614 23.278 48.126 1.00 12.01 H new ATOM 0 HE1 TYR A 94 33.334 27.039 46.118 1.00 11.87 H new ATOM 0 HE2 TYR A 94 33.730 24.010 48.691 1.00 10.94 H new ATOM 0 HH TYR A 94 35.235 26.643 47.200 1.00 18.20 H new ATOM 1173 N ASN A 95 29.557 25.245 49.657 1.00 12.67 N ATOM 1174 CA ASN A 95 29.750 26.408 50.597 1.00 14.57 C ATOM 1175 C ASN A 95 31.291 26.688 50.572 1.00 11.55 C ATOM 1176 O ASN A 95 32.061 25.896 51.091 1.00 10.53 O ATOM 1177 CB ASN A 95 29.331 26.018 52.019 1.00 16.61 C ATOM 1178 CG ASN A 95 29.316 27.293 52.868 1.00 17.70 C ATOM 1179 OD1 ASN A 95 30.219 28.107 52.858 1.00 18.55 O ATOM 1180 ND2 ASN A 95 28.314 27.535 53.640 1.00 21.60 N ATOM 0 H ASN A 95 29.872 24.498 49.945 1.00 12.67 H new ATOM 0 HA ASN A 95 29.221 27.178 50.335 1.00 14.57 H new ATOM 0 HB2 ASN A 95 28.454 25.603 52.013 1.00 16.61 H new ATOM 0 HB3 ASN A 95 29.950 25.370 52.390 1.00 16.61 H new ATOM 0 HD21 ASN A 95 28.304 28.248 54.120 1.00 21.60 H new ATOM 0 HD22 ASN A 95 27.655 26.983 53.675 1.00 21.60 H new ATOM 1187 N SER A 96 31.762 27.769 50.013 1.00 11.85 N ATOM 1188 CA SER A 96 33.233 27.991 49.986 1.00 14.15 C ATOM 1189 C SER A 96 33.867 28.357 51.274 1.00 15.52 C ATOM 1190 O SER A 96 35.080 28.390 51.371 1.00 22.51 O ATOM 1191 CB SER A 96 33.563 29.067 48.976 1.00 20.82 C ATOM 1192 OG SER A 96 32.983 30.268 49.470 1.00 23.77 O ATOM 0 H SER A 96 31.287 28.385 49.647 1.00 11.85 H new ATOM 0 HA SER A 96 33.600 27.124 49.751 1.00 14.15 H new ATOM 0 HB2 SER A 96 34.523 29.163 48.873 1.00 20.82 H new ATOM 0 HB3 SER A 96 33.205 28.843 48.103 1.00 20.82 H new ATOM 0 HG SER A 96 33.144 30.897 48.937 1.00 23.77 H new ATOM 1198 N ASN A 97 33.037 28.605 52.230 1.00 18.38 N ATOM 1199 CA ASN A 97 33.558 28.981 53.567 1.00 23.47 C ATOM 1200 C ASN A 97 33.853 27.766 54.404 1.00 22.61 C ATOM 1201 O ASN A 97 34.929 27.727 54.997 1.00 22.87 O ATOM 1202 CB ASN A 97 32.542 29.851 54.349 1.00 27.80 C ATOM 1203 CG ASN A 97 32.660 31.332 53.908 1.00 29.02 C ATOM 1204 OD1 ASN A 97 33.800 31.893 53.654 1.00 35.69 O flip ATOM 1205 ND2 ASN A 97 31.672 32.028 53.794 1.00 27.87 N flip ATOM 0 H ASN A 97 32.180 28.572 52.163 1.00 18.38 H new ATOM 0 HA ASN A 97 34.373 29.483 53.407 1.00 23.47 H new ATOM 0 HB2 ASN A 97 31.641 29.530 54.191 1.00 27.80 H new ATOM 0 HB3 ASN A 97 32.707 29.776 55.302 1.00 27.80 H new ATOM 0 HD21 ASN A 97 30.893 31.699 53.952 1.00 27.87 H new ATOM 0 HD22 ASN A 97 31.751 32.850 53.555 1.00 27.87 H new ATOM 1212 N THR A 98 32.910 26.847 54.417 1.00 16.54 N ATOM 1213 CA THR A 98 33.070 25.595 55.212 1.00 16.96 C ATOM 1214 C THR A 98 33.617 24.405 54.407 1.00 12.29 C ATOM 1215 O THR A 98 34.079 23.431 54.972 1.00 19.05 O ATOM 1216 CB THR A 98 31.707 25.275 55.791 1.00 16.69 C ATOM 1217 OG1 THR A 98 30.883 25.139 54.641 1.00 22.12 O ATOM 1218 CG2 THR A 98 31.075 26.491 56.543 1.00 16.19 C ATOM 0 H THR A 98 32.169 26.907 53.985 1.00 16.54 H new ATOM 0 HA THR A 98 33.736 25.744 55.902 1.00 16.96 H new ATOM 0 HB THR A 98 31.779 24.518 56.393 1.00 16.69 H new ATOM 0 HG1 THR A 98 30.098 24.957 54.878 1.00 22.12 H new ATOM 0 HG21 THR A 98 30.207 26.239 56.895 1.00 16.19 H new ATOM 0 HG22 THR A 98 31.655 26.756 57.274 1.00 16.19 H new ATOM 0 HG23 THR A 98 30.971 27.234 55.928 1.00 16.19 H new ATOM 1226 N LEU A 99 33.519 24.551 53.116 1.00 12.16 N ATOM 1227 CA LEU A 99 33.965 23.561 52.088 1.00 13.26 C ATOM 1228 C LEU A 99 33.106 22.311 52.117 1.00 15.03 C ATOM 1229 O LEU A 99 33.478 21.201 51.753 1.00 12.33 O ATOM 1230 CB LEU A 99 35.458 23.180 52.298 1.00 18.34 C ATOM 1231 CG LEU A 99 36.445 24.300 51.784 1.00 18.72 C ATOM 1232 CD1 LEU A 99 37.878 23.694 51.698 1.00 20.61 C ATOM 1233 CD2 LEU A 99 36.065 24.809 50.363 1.00 19.94 C ATOM 0 H LEU A 99 33.177 25.257 52.765 1.00 12.16 H new ATOM 0 HA LEU A 99 33.866 23.981 51.219 1.00 13.26 H new ATOM 0 HB2 LEU A 99 35.618 23.020 53.241 1.00 18.34 H new ATOM 0 HB3 LEU A 99 35.645 22.350 51.833 1.00 18.34 H new ATOM 0 HG LEU A 99 36.396 25.044 52.404 1.00 18.72 H new ATOM 0 HD11 LEU A 99 38.497 24.371 51.383 1.00 20.61 H new ATOM 0 HD12 LEU A 99 38.153 23.388 52.576 1.00 20.61 H new ATOM 0 HD13 LEU A 99 37.877 22.946 51.081 1.00 20.61 H new ATOM 0 HD21 LEU A 99 36.694 25.494 50.085 1.00 19.94 H new ATOM 0 HD22 LEU A 99 36.095 24.070 49.736 1.00 19.94 H new ATOM 0 HD23 LEU A 99 35.169 25.181 50.381 1.00 19.94 H new ATOM 1245 N ASN A 100 31.909 22.576 52.545 1.00 13.48 N ATOM 1246 CA ASN A 100 30.914 21.483 52.637 1.00 11.88 C ATOM 1247 C ASN A 100 30.461 21.410 51.165 1.00 10.21 C ATOM 1248 O ASN A 100 30.319 22.443 50.536 1.00 8.93 O ATOM 1249 CB ASN A 100 29.761 21.919 53.536 1.00 15.66 C ATOM 1250 CG ASN A 100 28.717 20.828 53.769 1.00 14.30 C ATOM 1251 OD1 ASN A 100 29.064 19.565 53.771 1.00 14.14 O flip ATOM 1252 ND2 ASN A 100 27.549 21.125 53.972 1.00 13.88 N flip ATOM 0 H ASN A 100 31.630 23.352 52.788 1.00 13.48 H new ATOM 0 HA ASN A 100 31.238 20.645 53.004 1.00 11.88 H new ATOM 0 HB2 ASN A 100 30.118 22.202 54.392 1.00 15.66 H new ATOM 0 HB3 ASN A 100 29.327 22.691 53.141 1.00 15.66 H new ATOM 0 HD21 ASN A 100 27.309 21.951 53.973 1.00 13.88 H new ATOM 0 HD22 ASN A 100 26.967 20.508 54.114 1.00 13.88 H new ATOM 1259 N ASN A 101 30.276 20.208 50.711 1.00 12.74 N ATOM 1260 CA ASN A 101 29.836 19.825 49.325 1.00 10.52 C ATOM 1261 C ASN A 101 30.885 20.252 48.312 1.00 9.96 C ATOM 1262 O ASN A 101 30.643 20.770 47.247 1.00 7.47 O ATOM 1263 CB ASN A 101 28.480 20.475 49.034 1.00 11.51 C ATOM 1264 CG ASN A 101 27.427 19.959 50.010 1.00 8.40 C ATOM 1265 OD1 ASN A 101 27.182 18.699 50.163 1.00 13.62 O flip ATOM 1266 ND2 ASN A 101 26.782 20.740 50.668 1.00 6.54 N flip ATOM 0 H ASN A 101 30.403 19.519 51.209 1.00 12.74 H new ATOM 0 HA ASN A 101 29.738 18.862 49.260 1.00 10.52 H new ATOM 0 HB2 ASN A 101 28.554 21.439 49.108 1.00 11.51 H new ATOM 0 HB3 ASN A 101 28.209 20.280 48.123 1.00 11.51 H new ATOM 0 HD21 ASN A 101 26.920 21.585 50.590 1.00 6.54 H new ATOM 0 HD22 ASN A 101 26.184 20.451 51.215 1.00 6.54 H new ATOM 1273 N ASP A 102 32.111 19.992 48.639 1.00 8.29 N ATOM 1274 CA ASP A 102 33.192 20.386 47.724 1.00 7.19 C ATOM 1275 C ASP A 102 33.434 19.380 46.606 1.00 10.23 C ATOM 1276 O ASP A 102 34.373 18.598 46.639 1.00 8.87 O ATOM 1277 CB ASP A 102 34.448 20.600 48.593 1.00 8.33 C ATOM 1278 CG ASP A 102 35.705 21.070 47.831 1.00 9.86 C ATOM 1279 OD1 ASP A 102 35.546 21.677 46.784 1.00 8.84 O ATOM 1280 OD2 ASP A 102 36.775 20.794 48.378 1.00 8.58 O ATOM 0 H ASP A 102 32.360 19.599 49.362 1.00 8.29 H new ATOM 0 HA ASP A 102 32.947 21.200 47.258 1.00 7.19 H new ATOM 0 HB2 ASP A 102 34.241 21.253 49.279 1.00 8.33 H new ATOM 0 HB3 ASP A 102 34.655 19.768 49.047 1.00 8.33 H new ATOM 1285 N ILE A 103 32.543 19.430 45.662 1.00 9.23 N ATOM 1286 CA ILE A 103 32.649 18.538 44.511 1.00 8.25 C ATOM 1287 C ILE A 103 32.163 19.337 43.281 1.00 6.52 C ATOM 1288 O ILE A 103 31.301 20.181 43.419 1.00 5.97 O ATOM 1289 CB ILE A 103 31.807 17.254 44.831 1.00 10.65 C ATOM 1290 CG1 ILE A 103 32.026 16.213 43.662 1.00 10.49 C ATOM 1291 CG2 ILE A 103 30.292 17.496 45.120 1.00 7.39 C ATOM 1292 CD1 ILE A 103 31.430 14.823 44.010 1.00 11.36 C ATOM 0 H ILE A 103 31.868 19.963 45.652 1.00 9.23 H new ATOM 0 HA ILE A 103 33.551 18.236 44.319 1.00 8.25 H new ATOM 0 HB ILE A 103 32.135 16.904 45.674 1.00 10.65 H new ATOM 0 HG12 ILE A 103 31.615 16.547 42.850 1.00 10.49 H new ATOM 0 HG13 ILE A 103 32.975 16.123 43.483 1.00 10.49 H new ATOM 0 HG21 ILE A 103 29.858 16.648 45.306 1.00 7.39 H new ATOM 0 HG22 ILE A 103 30.198 18.082 45.888 1.00 7.39 H new ATOM 0 HG23 ILE A 103 29.877 17.908 44.347 1.00 7.39 H new ATOM 0 HD11 ILE A 103 31.582 14.212 43.273 1.00 11.36 H new ATOM 0 HD12 ILE A 103 31.858 14.478 44.809 1.00 11.36 H new ATOM 0 HD13 ILE A 103 30.477 14.909 44.166 1.00 11.36 H new ATOM 1304 N MET A 104 32.747 19.050 42.144 1.00 8.68 N ATOM 1305 CA MET A 104 32.413 19.695 40.831 1.00 11.68 C ATOM 1306 C MET A 104 32.675 18.646 39.726 1.00 11.09 C ATOM 1307 O MET A 104 33.537 17.782 39.859 1.00 10.56 O ATOM 1308 CB AMET A 104 33.338 20.895 40.642 0.86 15.27 C ATOM 1309 CB BMET A 104 33.294 20.939 40.645 0.18 13.61 C ATOM 1310 CG AMET A 104 33.406 21.455 39.241 0.86 16.98 C ATOM 1311 CG BMET A 104 34.664 20.704 39.996 0.18 14.45 C ATOM 1312 SD AMET A 104 34.603 22.808 39.186 0.86 16.68 S ATOM 1313 SD BMET A 104 35.557 22.239 39.660 0.18 15.99 S ATOM 1314 CE AMET A 104 36.165 21.902 39.294 0.86 14.98 C ATOM 1315 CE BMET A 104 34.349 22.937 38.504 0.18 18.05 C ATOM 0 H MET A 104 33.371 18.461 42.081 1.00 8.68 H new ATOM 0 HA MET A 104 31.491 19.993 40.797 1.00 11.68 H new ATOM 0 HB2AMET A 104 33.051 21.601 41.241 0.86 13.61 H new ATOM 0 HB2BMET A 104 32.806 21.581 40.105 0.18 13.61 H new ATOM 0 HB3AMET A 104 34.233 20.639 40.914 0.86 13.61 H new ATOM 0 HB3BMET A 104 33.434 21.347 41.514 0.18 13.61 H new ATOM 0 HG2AMET A 104 33.663 20.758 38.617 0.86 14.45 H new ATOM 0 HG2BMET A 104 35.201 20.144 40.578 0.18 14.45 H new ATOM 0 HG3AMET A 104 32.532 21.773 38.967 0.86 14.45 H new ATOM 0 HG3BMET A 104 34.544 20.217 39.166 0.18 14.45 H new ATOM 0 HE1AMET A 104 36.636 22.164 40.100 0.86 18.05 H new ATOM 0 HE1BMET A 104 34.814 23.410 37.796 0.18 18.05 H new ATOM 0 HE2AMET A 104 35.985 20.949 39.321 0.86 18.05 H new ATOM 0 HE2BMET A 104 33.818 22.222 38.120 0.18 18.05 H new ATOM 0 HE3AMET A 104 36.712 22.106 38.519 0.86 18.05 H new ATOM 0 HE3BMET A 104 33.768 23.553 38.976 0.18 18.05 H new ATOM 1332 N LEU A 105 31.938 18.790 38.666 1.00 12.23 N ATOM 1333 CA LEU A 105 32.033 17.862 37.506 1.00 11.61 C ATOM 1334 C LEU A 105 32.532 18.675 36.348 1.00 9.55 C ATOM 1335 O LEU A 105 32.065 19.789 36.191 1.00 10.66 O ATOM 1336 CB LEU A 105 30.624 17.295 37.210 1.00 10.94 C ATOM 1337 CG LEU A 105 30.106 16.360 38.321 1.00 13.04 C ATOM 1338 CD1 LEU A 105 28.611 16.053 38.084 1.00 13.63 C ATOM 1339 CD2 LEU A 105 30.942 15.056 38.272 1.00 17.75 C ATOM 0 H LEU A 105 31.359 19.419 38.568 1.00 12.23 H new ATOM 0 HA LEU A 105 32.631 17.118 37.677 1.00 11.61 H new ATOM 0 HB2 LEU A 105 30.002 18.031 37.097 1.00 10.94 H new ATOM 0 HB3 LEU A 105 30.646 16.810 36.370 1.00 10.94 H new ATOM 0 HG LEU A 105 30.195 16.777 39.192 1.00 13.04 H new ATOM 0 HD11 LEU A 105 28.286 15.465 38.784 1.00 13.63 H new ATOM 0 HD12 LEU A 105 28.105 16.880 38.097 1.00 13.63 H new ATOM 0 HD13 LEU A 105 28.502 15.621 37.222 1.00 13.63 H new ATOM 0 HD21 LEU A 105 30.635 14.449 38.963 1.00 17.75 H new ATOM 0 HD22 LEU A 105 30.837 14.637 37.404 1.00 17.75 H new ATOM 0 HD23 LEU A 105 31.878 15.266 38.418 1.00 17.75 H new ATOM 1351 N ILE A 106 33.425 18.112 35.593 1.00 8.64 N ATOM 1352 CA ILE A 106 34.004 18.788 34.423 1.00 9.88 C ATOM 1353 C ILE A 106 33.760 17.850 33.239 1.00 11.68 C ATOM 1354 O ILE A 106 34.160 16.697 33.302 1.00 15.69 O ATOM 1355 CB ILE A 106 35.489 18.963 34.637 1.00 9.92 C ATOM 1356 CG1 ILE A 106 35.780 19.771 35.886 1.00 8.34 C ATOM 1357 CG2 ILE A 106 36.056 19.655 33.396 1.00 10.89 C ATOM 1358 CD1 ILE A 106 37.291 19.641 36.249 1.00 10.23 C ATOM 0 H ILE A 106 33.730 17.319 35.727 1.00 8.64 H new ATOM 0 HA ILE A 106 33.611 19.662 34.273 1.00 9.88 H new ATOM 0 HB ILE A 106 35.908 18.097 34.765 1.00 9.92 H new ATOM 0 HG12 ILE A 106 35.551 20.702 35.741 1.00 8.34 H new ATOM 0 HG13 ILE A 106 35.232 19.456 36.622 1.00 8.34 H new ATOM 0 HG21 ILE A 106 37.012 19.782 33.504 1.00 10.89 H new ATOM 0 HG22 ILE A 106 35.889 19.105 32.614 1.00 10.89 H new ATOM 0 HG23 ILE A 106 35.627 20.517 33.282 1.00 10.89 H new ATOM 0 HD11 ILE A 106 37.478 20.158 37.048 1.00 10.23 H new ATOM 0 HD12 ILE A 106 37.506 18.709 36.410 1.00 10.23 H new ATOM 0 HD13 ILE A 106 37.830 19.975 35.515 1.00 10.23 H new ATOM 1370 N LYS A 107 33.138 18.371 32.212 1.00 11.28 N ATOM 1371 CA LYS A 107 32.841 17.553 31.006 1.00 11.72 C ATOM 1372 C LYS A 107 33.953 17.892 30.041 1.00 11.11 C ATOM 1373 O LYS A 107 34.352 19.040 29.982 1.00 11.79 O ATOM 1374 CB LYS A 107 31.500 17.974 30.405 1.00 12.20 C ATOM 1375 CG LYS A 107 31.030 16.884 29.436 1.00 10.39 C ATOM 1376 CD LYS A 107 29.853 17.386 28.644 1.00 12.24 C ATOM 1377 CE LYS A 107 29.356 16.220 27.732 1.00 16.95 C ATOM 1378 NZ LYS A 107 28.147 16.656 26.962 1.00 18.17 N ATOM 0 H LYS A 107 32.871 19.187 32.169 1.00 11.28 H new ATOM 0 HA LYS A 107 32.788 16.605 31.205 1.00 11.72 H new ATOM 0 HB2 LYS A 107 30.844 18.105 31.107 1.00 12.20 H new ATOM 0 HB3 LYS A 107 31.591 18.820 29.940 1.00 12.20 H new ATOM 0 HG2 LYS A 107 31.752 16.637 28.838 1.00 10.39 H new ATOM 0 HG3 LYS A 107 30.783 16.085 29.928 1.00 10.39 H new ATOM 0 HD2 LYS A 107 29.144 17.678 29.238 1.00 12.24 H new ATOM 0 HD3 LYS A 107 30.107 18.153 28.107 1.00 12.24 H new ATOM 0 HE2 LYS A 107 30.060 15.954 27.120 1.00 16.95 H new ATOM 0 HE3 LYS A 107 29.142 15.444 28.273 1.00 16.95 H new ATOM 0 HZ1 LYS A 107 27.816 15.964 26.511 1.00 18.17 H new ATOM 0 HZ2 LYS A 107 27.531 16.964 27.526 1.00 18.17 H new ATOM 0 HZ3 LYS A 107 28.375 17.300 26.391 1.00 18.17 H new ATOM 1392 N LEU A 108 34.396 16.904 29.318 1.00 12.38 N ATOM 1393 CA LEU A 108 35.490 17.060 28.324 1.00 15.58 C ATOM 1394 C LEU A 108 34.880 17.389 26.931 1.00 15.02 C ATOM 1395 O LEU A 108 33.807 16.944 26.582 1.00 15.08 O ATOM 1396 CB LEU A 108 36.279 15.739 28.213 1.00 17.43 C ATOM 1397 CG LEU A 108 36.880 15.224 29.549 1.00 19.04 C ATOM 1398 CD1 LEU A 108 37.642 13.920 29.298 1.00 17.63 C ATOM 1399 CD2 LEU A 108 37.914 16.246 30.105 1.00 19.08 C ATOM 0 H LEU A 108 34.085 16.104 29.370 1.00 12.38 H new ATOM 0 HA LEU A 108 36.079 17.776 28.609 1.00 15.58 H new ATOM 0 HB2 LEU A 108 35.692 15.056 27.853 1.00 17.43 H new ATOM 0 HB3 LEU A 108 36.999 15.860 27.575 1.00 17.43 H new ATOM 0 HG LEU A 108 36.151 15.096 30.176 1.00 19.04 H new ATOM 0 HD11 LEU A 108 38.017 13.599 30.133 1.00 17.63 H new ATOM 0 HD12 LEU A 108 37.035 13.254 28.939 1.00 17.63 H new ATOM 0 HD13 LEU A 108 38.357 14.080 28.663 1.00 17.63 H new ATOM 0 HD21 LEU A 108 38.282 15.913 30.939 1.00 19.08 H new ATOM 0 HD22 LEU A 108 38.630 16.365 29.461 1.00 19.08 H new ATOM 0 HD23 LEU A 108 37.476 17.097 30.262 1.00 19.08 H new ATOM 1411 N LYS A 109 35.595 18.153 26.170 1.00 18.58 N ATOM 1412 CA LYS A 109 35.168 18.571 24.800 1.00 22.14 C ATOM 1413 C LYS A 109 35.046 17.364 23.892 1.00 22.23 C ATOM 1414 O LYS A 109 34.056 17.223 23.193 1.00 24.11 O ATOM 1415 CB LYS A 109 36.225 19.568 24.221 1.00 26.27 C ATOM 1416 CG LYS A 109 35.623 20.939 23.865 1.00 28.57 C ATOM 1417 CD LYS A 109 36.795 21.925 23.686 0.07 27.22 C ATOM 1418 CE LYS A 109 36.280 23.289 23.208 0.07 26.96 C ATOM 1419 NZ LYS A 109 37.430 24.232 23.095 0.07 26.48 N ATOM 0 H LYS A 109 36.360 18.468 26.405 1.00 18.58 H new ATOM 0 HA LYS A 109 34.301 19.003 24.852 1.00 22.14 H new ATOM 0 HB2 LYS A 109 36.936 19.691 24.869 1.00 26.27 H new ATOM 0 HB3 LYS A 109 36.628 19.181 23.428 1.00 26.27 H new ATOM 0 HG2 LYS A 109 35.098 20.881 23.051 1.00 28.57 H new ATOM 0 HG3 LYS A 109 35.026 21.242 24.566 1.00 28.57 H new ATOM 0 HD2 LYS A 109 37.269 22.028 24.526 0.07 27.22 H new ATOM 0 HD3 LYS A 109 37.429 21.569 23.044 0.07 27.22 H new ATOM 0 HE2 LYS A 109 35.837 23.197 22.350 0.07 26.96 H new ATOM 0 HE3 LYS A 109 35.623 23.636 23.831 0.07 26.96 H new ATOM 0 HZ1 LYS A 109 37.137 25.026 22.818 0.07 26.48 H new ATOM 0 HZ2 LYS A 109 37.820 24.321 23.890 0.07 26.48 H new ATOM 0 HZ3 LYS A 109 38.020 23.913 22.510 0.07 26.48 H new ATOM 1433 N SER A 110 36.052 16.551 23.904 1.00 23.78 N ATOM 1434 CA SER A 110 36.095 15.306 23.079 1.00 21.19 C ATOM 1435 C SER A 110 36.312 14.188 24.073 1.00 21.32 C ATOM 1436 O SER A 110 36.782 14.446 25.169 1.00 15.70 O ATOM 1437 CB ASER A 110 37.270 15.335 22.091 0.50 20.93 C ATOM 1438 CB BSER A 110 37.271 15.364 22.063 0.58 20.84 C ATOM 1439 OG ASER A 110 37.220 16.641 21.502 0.50 22.17 O ATOM 1440 OG BSER A 110 38.298 16.208 22.612 0.58 21.20 O ATOM 0 H SER A 110 36.755 16.675 24.384 1.00 23.78 H new ATOM 0 HA SER A 110 35.284 15.202 22.557 1.00 21.19 H new ATOM 0 HB2ASER A 110 38.115 15.185 22.544 0.50 20.84 H new ATOM 0 HB2BSER A 110 37.618 14.474 21.896 0.58 20.84 H new ATOM 0 HB3ASER A 110 37.182 14.642 21.418 0.50 20.84 H new ATOM 0 HB3BSER A 110 36.965 15.713 21.211 0.58 20.84 H new ATOM 0 HG ASER A 110 37.845 16.722 20.947 0.50 21.20 H new ATOM 0 HG BSER A 110 38.943 16.250 22.076 0.58 21.20 H new ATOM 1449 N ALA A 111 35.986 12.992 23.673 1.00 23.81 N ATOM 1450 CA ALA A 111 36.173 11.848 24.614 1.00 24.89 C ATOM 1451 C ALA A 111 37.645 11.462 24.665 1.00 20.16 C ATOM 1452 O ALA A 111 38.337 11.543 23.661 1.00 20.88 O ATOM 1453 CB ALA A 111 35.366 10.621 24.136 1.00 24.48 C ATOM 0 H ALA A 111 35.666 12.794 22.900 1.00 23.81 H new ATOM 0 HA ALA A 111 35.864 12.121 25.492 1.00 24.89 H new ATOM 0 HB1 ALA A 111 35.496 9.886 24.756 1.00 24.48 H new ATOM 0 HB2 ALA A 111 34.424 10.848 24.098 1.00 24.48 H new ATOM 0 HB3 ALA A 111 35.670 10.357 23.254 1.00 24.48 H new ATOM 1459 N ALA A 112 38.064 11.060 25.822 1.00 14.52 N ATOM 1460 CA ALA A 112 39.472 10.660 25.930 1.00 17.04 C ATOM 1461 C ALA A 112 39.440 9.242 25.407 1.00 15.77 C ATOM 1462 O ALA A 112 38.401 8.615 25.363 1.00 12.14 O ATOM 1463 CB ALA A 112 39.933 10.651 27.368 1.00 18.22 C ATOM 0 H ALA A 112 37.594 11.004 26.540 1.00 14.52 H new ATOM 0 HA ALA A 112 40.072 11.257 25.456 1.00 17.04 H new ATOM 0 HB1 ALA A 112 40.865 10.384 27.408 1.00 18.22 H new ATOM 0 HB2 ALA A 112 39.836 11.540 27.745 1.00 18.22 H new ATOM 0 HB3 ALA A 112 39.395 10.024 27.877 1.00 18.22 H new ATOM 1469 N SER A 113 40.583 8.772 25.043 1.00 17.16 N ATOM 1470 CA SER A 113 40.720 7.395 24.501 1.00 21.11 C ATOM 1471 C SER A 113 41.267 6.647 25.680 1.00 19.70 C ATOM 1472 O SER A 113 42.347 6.928 26.147 1.00 18.65 O ATOM 1473 CB SER A 113 41.704 7.452 23.292 1.00 23.55 C ATOM 1474 OG SER A 113 41.186 8.433 22.380 1.00 31.05 O ATOM 0 H SER A 113 41.321 9.212 25.089 1.00 17.16 H new ATOM 0 HA SER A 113 39.911 6.979 24.164 1.00 21.11 H new ATOM 0 HB2 SER A 113 42.596 7.693 23.586 1.00 23.55 H new ATOM 0 HB3 SER A 113 41.772 6.585 22.862 1.00 23.55 H new ATOM 0 HG SER A 113 41.694 8.492 21.714 1.00 31.05 H new ATOM 1480 N LEU A 114 40.508 5.707 26.136 1.00 22.66 N ATOM 1481 CA LEU A 114 40.931 4.912 27.308 1.00 22.17 C ATOM 1482 C LEU A 114 41.846 3.815 26.860 1.00 22.53 C ATOM 1483 O LEU A 114 41.569 3.188 25.866 1.00 19.12 O ATOM 1484 CB LEU A 114 39.702 4.309 27.967 1.00 25.39 C ATOM 1485 CG LEU A 114 38.560 5.362 28.167 1.00 27.22 C ATOM 1486 CD1 LEU A 114 37.441 4.687 28.957 1.00 29.04 C ATOM 1487 CD2 LEU A 114 39.037 6.602 28.965 1.00 29.04 C ATOM 0 H LEU A 114 39.744 5.491 25.805 1.00 22.66 H new ATOM 0 HA LEU A 114 41.396 5.481 27.941 1.00 22.17 H new ATOM 0 HB2 LEU A 114 39.372 3.576 27.423 1.00 25.39 H new ATOM 0 HB3 LEU A 114 39.949 3.935 28.827 1.00 25.39 H new ATOM 0 HG LEU A 114 38.266 5.665 27.294 1.00 27.22 H new ATOM 0 HD11 LEU A 114 36.717 5.318 29.097 1.00 29.04 H new ATOM 0 HD12 LEU A 114 37.111 3.921 28.461 1.00 29.04 H new ATOM 0 HD13 LEU A 114 37.783 4.393 29.816 1.00 29.04 H new ATOM 0 HD21 LEU A 114 38.301 7.226 29.065 1.00 29.04 H new ATOM 0 HD22 LEU A 114 39.346 6.324 29.841 1.00 29.04 H new ATOM 0 HD23 LEU A 114 39.763 7.034 28.489 1.00 29.04 H new ATOM 1499 N ASN A 115 42.896 3.606 27.585 1.00 24.19 N ATOM 1500 CA ASN A 115 43.916 2.560 27.299 1.00 24.49 C ATOM 1501 C ASN A 115 44.527 2.167 28.660 1.00 25.18 C ATOM 1502 O ASN A 115 43.926 2.367 29.705 1.00 21.03 O ATOM 1503 CB ASN A 115 44.990 3.114 26.340 1.00 24.68 C ATOM 1504 CG ASN A 115 45.533 4.386 26.882 1.00 23.31 C ATOM 1505 OD1 ASN A 115 45.968 4.442 28.005 1.00 25.91 O ATOM 1506 ND2 ASN A 115 45.538 5.439 26.153 1.00 27.32 N ATOM 0 H ASN A 115 43.072 4.067 28.289 1.00 24.19 H new ATOM 0 HA ASN A 115 43.525 1.786 26.865 1.00 24.49 H new ATOM 0 HB2 ASN A 115 45.704 2.467 26.231 1.00 24.68 H new ATOM 0 HB3 ASN A 115 44.606 3.264 25.462 1.00 24.68 H new ATOM 0 HD21 ASN A 115 45.850 6.177 26.466 1.00 27.32 H new ATOM 0 HD22 ASN A 115 45.230 5.408 25.351 1.00 27.32 H new ATOM 1513 N SER A 116 45.704 1.619 28.638 1.00 30.44 N ATOM 1514 CA SER A 116 46.402 1.179 29.894 1.00 33.24 C ATOM 1515 C SER A 116 46.800 2.341 30.823 1.00 35.37 C ATOM 1516 O SER A 116 46.844 2.204 32.029 1.00 36.39 O ATOM 1517 CB SER A 116 47.695 0.366 29.492 1.00 31.72 C ATOM 1518 OG SER A 116 47.625 0.101 28.074 1.00 35.67 O ATOM 0 H SER A 116 46.151 1.476 27.917 1.00 30.44 H new ATOM 0 HA SER A 116 45.774 0.633 30.393 1.00 33.24 H new ATOM 0 HB2 SER A 116 48.495 0.872 29.704 1.00 31.72 H new ATOM 0 HB3 SER A 116 47.744 -0.464 29.991 1.00 31.72 H new ATOM 0 HG SER A 116 48.305 -0.331 27.836 1.00 35.67 H new ATOM 1524 N ARG A 117 47.072 3.432 30.168 1.00 34.99 N ATOM 1525 CA ARG A 117 47.504 4.715 30.791 1.00 30.24 C ATOM 1526 C ARG A 117 46.371 5.626 31.181 1.00 27.17 C ATOM 1527 O ARG A 117 46.569 6.502 31.998 1.00 28.61 O ATOM 1528 CB ARG A 117 48.434 5.422 29.765 1.00 33.40 C ATOM 1529 CG ARG A 117 49.628 4.462 29.466 1.00 36.01 C ATOM 1530 CD ARG A 117 50.443 4.800 28.227 0.07 35.88 C ATOM 1531 NE ARG A 117 51.654 3.918 28.294 0.07 36.63 N ATOM 1532 CZ ARG A 117 52.814 4.347 28.737 0.07 36.60 C ATOM 1533 NH1 ARG A 117 52.915 5.483 29.375 0.07 36.42 N ATOM 1534 NH2 ARG A 117 53.866 3.604 28.530 0.07 36.73 N ATOM 0 H ARG A 117 47.017 3.479 29.311 1.00 34.99 H new ATOM 0 HA ARG A 117 47.957 4.512 31.625 1.00 30.24 H new ATOM 0 HB2 ARG A 117 47.949 5.626 28.950 1.00 33.40 H new ATOM 0 HB3 ARG A 117 48.756 6.265 30.122 1.00 33.40 H new ATOM 0 HG2 ARG A 117 50.221 4.459 30.234 1.00 36.01 H new ATOM 0 HG3 ARG A 117 49.282 3.561 29.371 1.00 36.01 H new ATOM 0 HD2 ARG A 117 49.934 4.634 27.418 0.07 35.88 H new ATOM 0 HD3 ARG A 117 50.693 5.737 28.218 0.07 35.88 H new ATOM 0 HE ARG A 117 51.587 3.101 28.033 0.07 36.63 H new ATOM 0 HH11 ARG A 117 52.215 5.963 29.511 0.07 36.42 H new ATOM 0 HH12 ARG A 117 53.682 5.750 29.659 0.07 36.42 H new ATOM 0 HH21 ARG A 117 53.789 2.856 28.113 0.07 36.73 H new ATOM 0 HH22 ARG A 117 54.637 3.863 28.810 0.07 36.73 H new ATOM 1548 N VAL A 118 45.238 5.415 30.581 1.00 21.37 N ATOM 1549 CA VAL A 118 44.057 6.264 30.878 1.00 17.51 C ATOM 1550 C VAL A 118 42.858 5.326 31.090 1.00 17.67 C ATOM 1551 O VAL A 118 42.373 4.724 30.137 1.00 16.61 O ATOM 1552 CB VAL A 118 43.887 7.231 29.657 1.00 15.42 C ATOM 1553 CG1 VAL A 118 42.830 8.303 29.944 1.00 13.05 C ATOM 1554 CG2 VAL A 118 45.255 7.899 29.292 1.00 14.47 C ATOM 0 H VAL A 118 45.103 4.797 29.998 1.00 21.37 H new ATOM 0 HA VAL A 118 44.146 6.802 31.680 1.00 17.51 H new ATOM 0 HB VAL A 118 43.585 6.705 28.900 1.00 15.42 H new ATOM 0 HG11 VAL A 118 42.744 8.887 29.174 1.00 13.05 H new ATOM 0 HG12 VAL A 118 41.977 7.877 30.123 1.00 13.05 H new ATOM 0 HG13 VAL A 118 43.099 8.824 30.717 1.00 13.05 H new ATOM 0 HG21 VAL A 118 45.133 8.494 28.535 1.00 14.47 H new ATOM 0 HG22 VAL A 118 45.581 8.406 30.052 1.00 14.47 H new ATOM 0 HG23 VAL A 118 45.900 7.212 29.062 1.00 14.47 H new ATOM 1564 N ALA A 119 42.413 5.214 32.310 1.00 15.75 N ATOM 1565 CA ALA A 119 41.258 4.336 32.631 1.00 16.53 C ATOM 1566 C ALA A 119 40.302 5.140 33.514 1.00 16.18 C ATOM 1567 O ALA A 119 40.731 6.141 34.064 1.00 15.84 O ATOM 1568 CB ALA A 119 41.772 3.114 33.385 1.00 14.48 C ATOM 0 H ALA A 119 42.748 5.627 32.986 1.00 15.75 H new ATOM 0 HA ALA A 119 40.799 4.041 31.829 1.00 16.53 H new ATOM 0 HB1 ALA A 119 41.028 2.531 33.602 1.00 14.48 H new ATOM 0 HB2 ALA A 119 42.407 2.635 32.830 1.00 14.48 H new ATOM 0 HB3 ALA A 119 42.208 3.398 34.203 1.00 14.48 H new ATOM 1574 N SER A 120 39.073 4.741 33.654 1.00 15.97 N ATOM 1575 CA SER A 120 38.195 5.550 34.531 1.00 16.81 C ATOM 1576 C SER A 120 38.151 4.794 35.855 1.00 14.16 C ATOM 1577 O SER A 120 38.543 3.641 35.893 1.00 15.07 O ATOM 1578 CB SER A 120 36.770 5.685 33.912 1.00 18.47 C ATOM 1579 OG SER A 120 36.565 4.514 33.139 1.00 22.97 O ATOM 0 H SER A 120 38.717 4.050 33.286 1.00 15.97 H new ATOM 0 HA SER A 120 38.526 6.454 34.645 1.00 16.81 H new ATOM 0 HB2 SER A 120 36.097 5.765 34.606 1.00 18.47 H new ATOM 0 HB3 SER A 120 36.705 6.480 33.361 1.00 18.47 H new ATOM 0 HG SER A 120 35.804 4.542 32.785 1.00 22.97 H new ATOM 1585 N ILE A 121 37.702 5.437 36.892 1.00 13.72 N ATOM 1586 CA ILE A 121 37.617 4.789 38.226 1.00 14.03 C ATOM 1587 C ILE A 121 36.124 4.651 38.422 1.00 11.63 C ATOM 1588 O ILE A 121 35.358 5.430 37.887 1.00 8.65 O ATOM 1589 CB ILE A 121 38.224 5.698 39.340 1.00 12.42 C ATOM 1590 CG1 ILE A 121 38.160 5.044 40.754 1.00 15.51 C ATOM 1591 CG2 ILE A 121 37.463 7.064 39.368 1.00 15.40 C ATOM 1592 CD1 ILE A 121 38.890 3.712 40.748 1.00 17.28 C ATOM 0 H ILE A 121 37.433 6.254 36.874 1.00 13.72 H new ATOM 0 HA ILE A 121 38.105 3.952 38.275 1.00 14.03 H new ATOM 0 HB ILE A 121 39.161 5.829 39.124 1.00 12.42 H new ATOM 0 HG12 ILE A 121 38.559 5.636 41.410 1.00 15.51 H new ATOM 0 HG13 ILE A 121 37.235 4.913 41.016 1.00 15.51 H new ATOM 0 HG21 ILE A 121 37.839 7.630 40.060 1.00 15.40 H new ATOM 0 HG22 ILE A 121 37.553 7.503 38.508 1.00 15.40 H new ATOM 0 HG23 ILE A 121 36.524 6.908 39.554 1.00 15.40 H new ATOM 0 HD11 ILE A 121 38.844 3.314 41.631 1.00 17.28 H new ATOM 0 HD12 ILE A 121 38.474 3.118 40.104 1.00 17.28 H new ATOM 0 HD13 ILE A 121 39.818 3.853 40.505 1.00 17.28 H new ATOM 1604 N SER A 122 35.767 3.690 39.203 1.00 16.70 N ATOM 1605 CA SER A 122 34.340 3.441 39.463 1.00 17.44 C ATOM 1606 C SER A 122 33.774 4.188 40.662 1.00 15.45 C ATOM 1607 O SER A 122 34.474 4.483 41.610 1.00 14.03 O ATOM 1608 CB SER A 122 34.230 1.898 39.625 1.00 15.98 C ATOM 1609 OG SER A 122 34.967 1.382 38.513 0.01 16.86 O ATOM 0 H SER A 122 36.310 3.157 39.604 1.00 16.70 H new ATOM 0 HA SER A 122 33.801 3.781 38.731 1.00 17.44 H new ATOM 0 HB2 SER A 122 34.605 1.601 40.469 1.00 15.98 H new ATOM 0 HB3 SER A 122 33.306 1.604 39.607 1.00 15.98 H new ATOM 0 HG SER A 122 34.954 0.542 38.533 0.01 16.86 H new ATOM 1615 N LEU A 123 32.508 4.467 40.577 1.00 16.23 N ATOM 1616 CA LEU A 123 31.842 5.182 41.697 1.00 18.26 C ATOM 1617 C LEU A 123 31.407 4.046 42.646 1.00 18.91 C ATOM 1618 O LEU A 123 31.180 2.939 42.195 1.00 24.08 O ATOM 1619 CB LEU A 123 30.571 5.910 41.230 1.00 14.99 C ATOM 1620 CG LEU A 123 30.868 7.079 40.287 1.00 14.08 C ATOM 1621 CD1 LEU A 123 29.496 7.705 39.892 1.00 14.68 C ATOM 1622 CD2 LEU A 123 31.706 8.148 41.009 1.00 12.14 C ATOM 0 H LEU A 123 32.002 4.270 39.910 1.00 16.23 H new ATOM 0 HA LEU A 123 32.431 5.845 42.091 1.00 18.26 H new ATOM 0 HB2 LEU A 123 29.988 5.278 40.781 1.00 14.99 H new ATOM 0 HB3 LEU A 123 30.089 6.239 42.005 1.00 14.99 H new ATOM 0 HG LEU A 123 31.361 6.769 39.512 1.00 14.08 H new ATOM 0 HD11 LEU A 123 29.642 8.453 39.292 1.00 14.68 H new ATOM 0 HD12 LEU A 123 28.951 7.037 39.448 1.00 14.68 H new ATOM 0 HD13 LEU A 123 29.040 8.016 40.690 1.00 14.68 H new ATOM 0 HD21 LEU A 123 31.887 8.882 40.402 1.00 12.14 H new ATOM 0 HD22 LEU A 123 31.216 8.479 41.778 1.00 12.14 H new ATOM 0 HD23 LEU A 123 32.544 7.758 41.303 1.00 12.14 H new ATOM 1634 N PRO A 124 31.303 4.334 43.915 1.00 16.91 N ATOM 1635 CA PRO A 124 31.013 3.288 44.916 1.00 19.95 C ATOM 1636 C PRO A 124 29.515 2.985 44.955 1.00 21.04 C ATOM 1637 O PRO A 124 28.717 3.803 44.524 1.00 23.59 O ATOM 1638 CB PRO A 124 31.542 3.894 46.198 1.00 18.40 C ATOM 1639 CG PRO A 124 31.221 5.400 46.029 1.00 18.58 C ATOM 1640 CD PRO A 124 31.469 5.688 44.534 1.00 17.79 C ATOM 0 HA PRO A 124 31.423 2.428 44.732 1.00 19.95 H new ATOM 0 HB2 PRO A 124 31.106 3.519 46.979 1.00 18.40 H new ATOM 0 HB3 PRO A 124 32.494 3.739 46.303 1.00 18.40 H new ATOM 0 HG2 PRO A 124 30.304 5.595 46.278 1.00 18.58 H new ATOM 0 HG3 PRO A 124 31.790 5.947 46.592 1.00 18.58 H new ATOM 0 HD2 PRO A 124 30.833 6.329 44.179 1.00 17.79 H new ATOM 0 HD3 PRO A 124 32.355 6.051 44.378 1.00 17.79 H new ATOM 1648 N THR A 125 29.191 1.830 45.468 1.00 24.88 N ATOM 1649 CA THR A 125 27.781 1.381 45.608 1.00 24.27 C ATOM 1650 C THR A 125 27.491 1.624 47.100 1.00 26.28 C ATOM 1651 O THR A 125 26.348 1.768 47.491 1.00 32.68 O ATOM 1652 CB THR A 125 27.652 -0.113 45.252 1.00 25.93 C ATOM 1653 OG1 THR A 125 28.958 -0.677 45.350 1.00 29.06 O ATOM 1654 CG2 THR A 125 27.250 -0.258 43.801 1.00 25.67 C ATOM 0 H THR A 125 29.768 1.261 45.755 1.00 24.88 H new ATOM 0 HA THR A 125 27.164 1.845 45.021 1.00 24.27 H new ATOM 0 HB THR A 125 27.003 -0.536 45.836 1.00 25.93 H new ATOM 0 HG1 THR A 125 28.925 -1.495 45.163 1.00 29.06 H new ATOM 0 HG21 THR A 125 27.170 -1.199 43.580 1.00 25.67 H new ATOM 0 HG22 THR A 125 26.398 0.182 43.656 1.00 25.67 H new ATOM 0 HG23 THR A 125 27.925 0.150 43.236 1.00 25.67 H new ATOM 1662 N SER A 127 28.496 1.645 47.935 1.00 25.81 N ATOM 1663 CA SER A 127 28.292 1.899 49.392 1.00 20.99 C ATOM 1664 C SER A 127 29.485 2.759 49.908 1.00 19.63 C ATOM 1665 O SER A 127 30.472 2.923 49.212 1.00 18.83 O ATOM 1666 CB SER A 127 28.171 0.501 50.100 1.00 18.27 C ATOM 1667 OG SER A 127 29.118 -0.351 49.468 1.00 18.29 O ATOM 0 H SER A 127 29.315 1.518 47.706 1.00 25.81 H new ATOM 0 HA SER A 127 27.482 2.397 49.583 1.00 20.99 H new ATOM 0 HB2 SER A 127 28.354 0.577 51.050 1.00 18.27 H new ATOM 0 HB3 SER A 127 27.273 0.145 50.012 1.00 18.27 H new ATOM 0 HG SER A 127 29.088 -1.113 49.819 1.00 18.29 H new ATOM 1673 N CYS A 128 29.371 3.283 51.104 1.00 21.33 N ATOM 1674 CA CYS A 128 30.458 4.125 51.686 1.00 19.03 C ATOM 1675 C CYS A 128 31.468 3.207 52.334 1.00 20.52 C ATOM 1676 O CYS A 128 31.090 2.112 52.718 1.00 21.62 O ATOM 1677 CB CYS A 128 29.887 5.037 52.754 1.00 16.29 C ATOM 1678 SG CYS A 128 28.651 6.217 52.191 1.00 14.78 S ATOM 0 H CYS A 128 28.686 3.179 51.614 1.00 21.33 H new ATOM 0 HA CYS A 128 30.867 4.660 50.988 1.00 19.03 H new ATOM 0 HB2 CYS A 128 29.493 4.487 53.449 1.00 16.29 H new ATOM 0 HB3 CYS A 128 30.618 5.528 53.161 1.00 16.29 H new ATOM 1683 N ALA A 129 32.690 3.675 52.451 1.00 18.47 N ATOM 1684 CA ALA A 129 33.732 2.816 53.079 1.00 18.08 C ATOM 1685 C ALA A 129 33.776 3.066 54.575 1.00 19.30 C ATOM 1686 O ALA A 129 33.496 4.157 55.049 1.00 21.17 O ATOM 1687 CB ALA A 129 35.106 3.124 52.493 1.00 21.52 C ATOM 0 H ALA A 129 32.953 4.452 52.192 1.00 18.47 H new ATOM 0 HA ALA A 129 33.506 1.889 52.902 1.00 18.08 H new ATOM 0 HB1 ALA A 129 35.772 2.557 52.913 1.00 21.52 H new ATOM 0 HB2 ALA A 129 35.095 2.957 51.538 1.00 21.52 H new ATOM 0 HB3 ALA A 129 35.326 4.055 52.656 1.00 21.52 H new ATOM 1693 N SER A 130 34.155 2.014 55.233 1.00 22.38 N ATOM 1694 CA SER A 130 34.268 1.991 56.723 1.00 24.49 C ATOM 1695 C SER A 130 35.613 2.523 57.222 1.00 21.24 C ATOM 1696 O SER A 130 36.600 2.512 56.505 1.00 24.10 O ATOM 1697 CB SER A 130 34.114 0.493 57.278 1.00 28.56 C ATOM 1698 OG SER A 130 33.585 -0.343 56.231 1.00 36.03 O ATOM 0 H SER A 130 34.363 1.270 54.856 1.00 22.38 H new ATOM 0 HA SER A 130 33.557 2.564 57.050 1.00 24.49 H new ATOM 0 HB2 SER A 130 34.974 0.155 57.574 1.00 28.56 H new ATOM 0 HB3 SER A 130 33.524 0.480 58.048 1.00 28.56 H new ATOM 0 HG SER A 130 33.503 -1.129 56.515 1.00 36.03 H new ATOM 1704 N ALA A 132 35.607 2.967 58.455 1.00 19.41 N ATOM 1705 CA ALA A 132 36.860 3.479 59.033 1.00 18.25 C ATOM 1706 C ALA A 132 37.719 2.198 59.019 1.00 19.42 C ATOM 1707 O ALA A 132 37.203 1.107 59.226 1.00 19.34 O ATOM 1708 CB ALA A 132 36.644 3.934 60.469 1.00 20.77 C ATOM 0 H ALA A 132 34.921 2.988 58.973 1.00 19.41 H new ATOM 0 HA ALA A 132 37.237 4.240 58.564 1.00 18.25 H new ATOM 0 HB1 ALA A 132 37.479 4.267 60.832 1.00 20.77 H new ATOM 0 HB2 ALA A 132 35.979 4.640 60.488 1.00 20.77 H new ATOM 0 HB3 ALA A 132 36.336 3.185 61.003 1.00 20.77 H new ATOM 1714 N GLY A 133 38.981 2.322 58.779 1.00 21.30 N ATOM 1715 CA GLY A 133 39.822 1.105 58.760 1.00 18.74 C ATOM 1716 C GLY A 133 40.246 0.897 57.357 1.00 17.49 C ATOM 1717 O GLY A 133 41.427 0.684 57.129 1.00 20.49 O ATOM 0 H GLY A 133 39.390 3.063 58.625 1.00 21.30 H new ATOM 0 HA2 GLY A 133 40.592 1.211 59.340 1.00 18.74 H new ATOM 0 HA3 GLY A 133 39.325 0.339 59.086 1.00 18.74 H new ATOM 1721 N THR A 134 39.307 0.948 56.459 1.00 13.26 N ATOM 1722 CA THR A 134 39.685 0.745 55.028 1.00 16.93 C ATOM 1723 C THR A 134 40.947 1.557 54.609 1.00 18.58 C ATOM 1724 O THR A 134 41.116 2.684 55.025 1.00 24.78 O ATOM 1725 CB THR A 134 38.495 1.124 54.177 1.00 15.23 C ATOM 1726 OG1 THR A 134 37.448 0.303 54.696 1.00 20.06 O ATOM 1727 CG2 THR A 134 38.671 0.565 52.769 1.00 16.54 C ATOM 0 H THR A 134 38.473 1.090 56.613 1.00 13.26 H new ATOM 0 HA THR A 134 39.922 -0.187 54.899 1.00 16.93 H new ATOM 0 HB THR A 134 38.358 2.084 54.174 1.00 15.23 H new ATOM 0 HG1 THR A 134 36.978 0.751 55.228 1.00 20.06 H new ATOM 0 HG21 THR A 134 37.906 0.810 52.225 1.00 16.54 H new ATOM 0 HG22 THR A 134 39.478 0.931 52.374 1.00 16.54 H new ATOM 0 HG23 THR A 134 38.741 -0.402 52.811 1.00 16.54 H new ATOM 1735 N GLN A 135 41.755 0.933 53.785 1.00 19.88 N ATOM 1736 CA GLN A 135 43.034 1.474 53.237 1.00 16.11 C ATOM 1737 C GLN A 135 42.712 2.075 51.905 1.00 16.64 C ATOM 1738 O GLN A 135 42.078 1.408 51.096 1.00 15.42 O ATOM 1739 CB GLN A 135 44.061 0.381 53.008 0.49 17.07 C ATOM 1740 CG GLN A 135 44.643 -0.144 54.337 0.49 18.51 C ATOM 1741 CD GLN A 135 45.441 0.986 54.995 0.49 18.27 C ATOM 1742 OE1 GLN A 135 46.003 1.831 54.331 0.49 13.97 O ATOM 1743 NE2 GLN A 135 45.529 1.049 56.284 0.49 19.15 N ATOM 0 H GLN A 135 41.586 0.139 53.500 1.00 19.88 H new ATOM 0 HA GLN A 135 43.404 2.111 53.868 1.00 16.11 H new ATOM 0 HB2 GLN A 135 43.651 -0.352 52.522 0.49 17.07 H new ATOM 0 HB3 GLN A 135 44.779 0.723 52.453 0.49 17.07 H new ATOM 0 HG2 GLN A 135 43.930 -0.440 54.924 0.49 18.51 H new ATOM 0 HG3 GLN A 135 45.214 -0.911 54.176 0.49 18.51 H new ATOM 0 HE21 GLN A 135 45.137 0.459 56.771 0.49 19.15 H new ATOM 0 HE22 GLN A 135 45.979 1.681 56.654 0.49 19.15 H new ATOM 1752 N CYS A 136 43.173 3.280 51.728 1.00 19.14 N ATOM 1753 CA CYS A 136 42.948 4.038 50.472 1.00 19.31 C ATOM 1754 C CYS A 136 44.267 4.505 49.881 1.00 15.21 C ATOM 1755 O CYS A 136 45.290 4.529 50.531 1.00 16.27 O ATOM 1756 CB CYS A 136 42.078 5.226 50.790 1.00 20.21 C ATOM 1757 SG CYS A 136 40.507 4.838 51.567 1.00 17.44 S ATOM 0 H CYS A 136 43.630 3.706 52.319 1.00 19.14 H new ATOM 0 HA CYS A 136 42.516 3.466 49.819 1.00 19.31 H new ATOM 0 HB2 CYS A 136 42.572 5.823 51.373 1.00 20.21 H new ATOM 0 HB3 CYS A 136 41.905 5.711 49.968 1.00 20.21 H new ATOM 1762 N LEU A 137 44.191 4.866 48.638 1.00 14.54 N ATOM 1763 CA LEU A 137 45.369 5.346 47.912 1.00 15.17 C ATOM 1764 C LEU A 137 44.947 6.747 47.531 1.00 12.40 C ATOM 1765 O LEU A 137 43.885 6.892 46.950 1.00 11.23 O ATOM 1766 CB LEU A 137 45.601 4.520 46.675 1.00 15.72 C ATOM 1767 CG LEU A 137 46.873 5.046 45.904 1.00 18.28 C ATOM 1768 CD1 LEU A 137 48.171 4.764 46.727 1.00 18.41 C ATOM 1769 CD2 LEU A 137 46.942 4.360 44.512 1.00 20.61 C ATOM 0 H LEU A 137 43.467 4.848 48.174 1.00 14.54 H new ATOM 0 HA LEU A 137 46.192 5.302 48.424 1.00 15.17 H new ATOM 0 HB2 LEU A 137 45.723 3.589 46.917 1.00 15.72 H new ATOM 0 HB3 LEU A 137 44.823 4.563 46.098 1.00 15.72 H new ATOM 0 HG LEU A 137 46.804 6.006 45.784 1.00 18.28 H new ATOM 0 HD11 LEU A 137 48.942 5.093 46.239 1.00 18.41 H new ATOM 0 HD12 LEU A 137 48.115 5.214 47.584 1.00 18.41 H new ATOM 0 HD13 LEU A 137 48.263 3.809 46.869 1.00 18.41 H new ATOM 0 HD21 LEU A 137 47.722 4.679 44.032 1.00 20.61 H new ATOM 0 HD22 LEU A 137 47.004 3.399 44.627 1.00 20.61 H new ATOM 0 HD23 LEU A 137 46.142 4.573 44.006 1.00 20.61 H new ATOM 1781 N ILE A 138 45.798 7.662 47.873 1.00 14.59 N ATOM 1782 CA ILE A 138 45.624 9.115 47.626 1.00 13.91 C ATOM 1783 C ILE A 138 46.771 9.461 46.664 1.00 17.18 C ATOM 1784 O ILE A 138 47.887 9.053 46.939 1.00 20.46 O ATOM 1785 CB ILE A 138 45.735 9.762 49.048 1.00 14.43 C ATOM 1786 CG1 ILE A 138 44.729 9.087 50.029 1.00 18.12 C ATOM 1787 CG2 ILE A 138 45.403 11.288 49.034 1.00 16.68 C ATOM 1788 CD1 ILE A 138 45.182 9.387 51.488 1.00 19.22 C ATOM 0 H ILE A 138 46.535 7.477 48.275 1.00 14.59 H new ATOM 0 HA ILE A 138 44.793 9.418 47.228 1.00 13.91 H new ATOM 0 HB ILE A 138 46.653 9.632 49.332 1.00 14.43 H new ATOM 0 HG12 ILE A 138 43.833 9.426 49.878 1.00 18.12 H new ATOM 0 HG13 ILE A 138 44.700 8.130 49.876 1.00 18.12 H new ATOM 0 HG21 ILE A 138 45.484 11.645 49.932 1.00 16.68 H new ATOM 0 HG22 ILE A 138 46.022 11.749 48.446 1.00 16.68 H new ATOM 0 HG23 ILE A 138 44.496 11.419 48.715 1.00 16.68 H new ATOM 0 HD11 ILE A 138 44.564 8.973 52.111 1.00 19.22 H new ATOM 0 HD12 ILE A 138 46.072 9.030 51.631 1.00 19.22 H new ATOM 0 HD13 ILE A 138 45.192 10.346 51.633 1.00 19.22 H new ATOM 1800 N SER A 139 46.522 10.157 45.587 1.00 16.18 N ATOM 1801 CA SER A 139 47.644 10.502 44.644 1.00 19.10 C ATOM 1802 C SER A 139 47.612 11.988 44.178 1.00 19.60 C ATOM 1803 O SER A 139 46.585 12.624 44.294 1.00 19.43 O ATOM 1804 CB SER A 139 47.544 9.495 43.444 1.00 17.13 C ATOM 1805 OG SER A 139 46.181 9.526 43.056 1.00 17.07 O ATOM 0 H SER A 139 45.746 10.448 45.357 1.00 16.18 H new ATOM 0 HA SER A 139 48.499 10.416 45.095 1.00 19.10 H new ATOM 0 HB2 SER A 139 48.124 9.760 42.713 1.00 17.13 H new ATOM 0 HB3 SER A 139 47.814 8.602 43.711 1.00 17.13 H new ATOM 0 HG SER A 139 46.122 9.792 42.261 1.00 17.07 H new ATOM 1811 N GLY A 140 48.698 12.525 43.671 1.00 20.97 N ATOM 1812 CA GLY A 140 48.679 13.956 43.208 1.00 22.28 C ATOM 1813 C GLY A 140 50.072 14.529 43.018 1.00 21.02 C ATOM 1814 O GLY A 140 51.042 13.842 43.323 1.00 24.48 O ATOM 0 H GLY A 140 49.449 12.118 43.575 1.00 20.97 H new ATOM 0 HA2 GLY A 140 48.192 14.015 42.371 1.00 22.28 H new ATOM 0 HA3 GLY A 140 48.197 14.495 43.855 1.00 22.28 H new ATOM 1818 N TRP A 141 50.143 15.742 42.540 1.00 25.23 N ATOM 1819 CA TRP A 141 51.449 16.449 42.286 1.00 25.02 C ATOM 1820 C TRP A 141 51.586 17.655 43.218 1.00 27.30 C ATOM 1821 O TRP A 141 52.268 18.619 42.918 1.00 30.19 O ATOM 1822 CB TRP A 141 51.499 16.987 40.859 1.00 22.08 C ATOM 1823 CG TRP A 141 51.624 15.941 39.779 1.00 19.13 C ATOM 1824 CD1 TRP A 141 52.793 15.448 39.296 1.00 21.26 C ATOM 1825 CD2 TRP A 141 50.577 15.392 39.130 1.00 20.26 C ATOM 1826 NE1 TRP A 141 52.377 14.615 38.357 1.00 23.50 N ATOM 1827 CE2 TRP A 141 51.064 14.501 38.173 1.00 23.39 C ATOM 1828 CE3 TRP A 141 49.202 15.605 39.271 1.00 14.59 C ATOM 1829 CZ2 TRP A 141 50.152 13.829 37.349 1.00 19.80 C ATOM 1830 CZ3 TRP A 141 48.307 14.933 38.472 1.00 15.58 C ATOM 1831 CH2 TRP A 141 48.776 14.044 37.505 1.00 16.91 C ATOM 0 H TRP A 141 49.450 16.212 42.341 1.00 25.23 H new ATOM 0 HA TRP A 141 52.161 15.807 42.437 1.00 25.02 H new ATOM 0 HB2 TRP A 141 50.695 17.504 40.696 1.00 22.08 H new ATOM 0 HB3 TRP A 141 52.249 17.598 40.785 1.00 22.08 H new ATOM 0 HD1 TRP A 141 53.663 15.645 39.558 1.00 21.26 H new ATOM 0 HE1 TRP A 141 52.934 14.164 37.883 1.00 23.50 H new ATOM 0 HE3 TRP A 141 48.891 16.205 39.910 1.00 14.59 H new ATOM 0 HZ2 TRP A 141 50.460 13.240 36.698 1.00 19.80 H new ATOM 0 HZ3 TRP A 141 47.393 15.071 38.576 1.00 15.58 H new ATOM 0 HH2 TRP A 141 48.172 13.592 36.961 1.00 16.91 H new ATOM 1842 N GLY A 142 50.958 17.587 44.336 1.00 28.77 N ATOM 1843 CA GLY A 142 51.026 18.721 45.310 1.00 34.85 C ATOM 1844 C GLY A 142 52.301 18.750 46.150 1.00 39.74 C ATOM 1845 O GLY A 142 53.086 17.812 46.092 1.00 39.34 O ATOM 0 H GLY A 142 50.480 16.918 44.588 1.00 28.77 H new ATOM 0 HA2 GLY A 142 50.952 19.557 44.823 1.00 34.85 H new ATOM 0 HA3 GLY A 142 50.261 18.670 45.904 1.00 34.85 H new ATOM 1849 N ASN A 143 52.431 19.823 46.895 1.00 41.69 N ATOM 1850 CA ASN A 143 53.622 20.041 47.785 1.00 44.01 C ATOM 1851 C ASN A 143 54.021 18.739 48.506 1.00 46.07 C ATOM 1852 O ASN A 143 53.153 17.914 48.800 1.00 42.94 O ATOM 1853 CB ASN A 143 53.287 21.140 48.833 1.00 44.01 C ATOM 1854 CG ASN A 143 54.539 21.604 49.613 1.00 44.12 C ATOM 1855 OD1 ASN A 143 55.661 21.187 49.399 1.00 43.26 O ATOM 1856 ND2 ASN A 143 54.410 22.485 50.552 1.00 46.66 N ATOM 0 H ASN A 143 51.852 20.459 46.920 1.00 41.69 H new ATOM 0 HA ASN A 143 54.370 20.324 47.236 1.00 44.01 H new ATOM 0 HB2 ASN A 143 52.887 21.901 48.384 1.00 44.01 H new ATOM 0 HB3 ASN A 143 52.627 20.799 49.457 1.00 44.01 H new ATOM 0 HD21 ASN A 143 55.100 22.749 50.992 1.00 46.66 H new ATOM 0 HD22 ASN A 143 53.634 22.807 50.736 1.00 46.66 H new ATOM 1863 N THR A 144 55.300 18.607 48.758 1.00 47.60 N ATOM 1864 CA THR A 144 55.870 17.410 49.454 1.00 50.22 C ATOM 1865 C THR A 144 56.588 17.755 50.760 1.00 49.48 C ATOM 1866 O THR A 144 57.099 16.870 51.428 1.00 47.93 O ATOM 1867 CB THR A 144 56.842 16.717 48.464 1.00 50.63 C ATOM 1868 OG1 THR A 144 57.583 17.770 47.853 1.00 52.70 O ATOM 1869 CG2 THR A 144 56.098 16.096 47.281 1.00 49.85 C ATOM 0 H THR A 144 55.888 19.196 48.541 1.00 47.60 H new ATOM 0 HA THR A 144 55.142 16.822 49.708 1.00 50.22 H new ATOM 0 HB THR A 144 57.351 16.048 48.948 1.00 50.63 H new ATOM 0 HG1 THR A 144 58.130 17.446 47.304 1.00 52.70 H new ATOM 0 HG21 THR A 144 56.735 15.673 46.684 1.00 49.85 H new ATOM 0 HG22 THR A 144 55.470 15.432 47.606 1.00 49.85 H new ATOM 0 HG23 THR A 144 55.617 16.788 46.801 1.00 49.85 H new ATOM 1877 N LYS A 145 56.616 19.010 51.105 1.00 50.34 N ATOM 1878 CA LYS A 145 57.292 19.450 52.364 1.00 52.43 C ATOM 1879 C LYS A 145 56.268 19.991 53.382 1.00 53.70 C ATOM 1880 O LYS A 145 55.503 20.883 53.063 1.00 56.61 O ATOM 1881 CB LYS A 145 58.316 20.537 51.973 1.00 54.36 C ATOM 1882 CG LYS A 145 59.445 19.891 51.117 1.00 52.85 C ATOM 1883 CD LYS A 145 60.448 19.080 52.024 0.57 52.23 C ATOM 1884 CE LYS A 145 61.333 18.130 51.184 0.57 50.45 C ATOM 1885 NZ LYS A 145 60.527 16.967 50.723 0.57 49.13 N ATOM 0 H LYS A 145 56.260 19.645 50.648 1.00 50.34 H new ATOM 0 HA LYS A 145 57.737 18.702 52.792 1.00 52.43 H new ATOM 0 HB2 LYS A 145 57.879 21.243 51.472 1.00 54.36 H new ATOM 0 HB3 LYS A 145 58.692 20.945 52.769 1.00 54.36 H new ATOM 0 HG2 LYS A 145 59.055 19.301 50.453 1.00 52.85 H new ATOM 0 HG3 LYS A 145 59.926 20.582 50.635 1.00 52.85 H new ATOM 0 HD2 LYS A 145 61.011 19.697 52.517 0.57 52.23 H new ATOM 0 HD3 LYS A 145 59.950 18.566 52.679 0.57 52.23 H new ATOM 0 HE2 LYS A 145 61.698 18.605 50.421 0.57 50.45 H new ATOM 0 HE3 LYS A 145 62.086 17.823 51.713 0.57 50.45 H new ATOM 0 HZ1 LYS A 145 61.066 16.355 50.367 0.57 49.13 H new ATOM 0 HZ2 LYS A 145 60.093 16.613 51.415 0.57 49.13 H new ATOM 0 HZ3 LYS A 145 59.940 17.236 50.111 0.57 49.13 H new ATOM 1899 N SER A 146 56.285 19.445 54.573 1.00 51.43 N ATOM 1900 CA SER A 146 55.316 19.927 55.611 0.48 50.35 C ATOM 1901 C SER A 146 55.826 21.335 56.018 0.48 50.39 C ATOM 1902 O SER A 146 55.130 22.329 55.915 0.48 51.23 O ATOM 1903 CB SER A 146 55.327 18.905 56.817 0.48 48.20 C ATOM 1904 OG SER A 146 54.325 19.358 57.721 0.48 47.91 O ATOM 0 H SER A 146 56.816 18.817 54.823 1.00 51.43 H new ATOM 0 HA SER A 146 54.399 19.984 55.300 0.48 50.35 H new ATOM 0 HB2 SER A 146 55.138 18.004 56.511 0.48 48.20 H new ATOM 0 HB3 SER A 146 56.197 18.882 57.245 0.48 48.20 H new ATOM 0 HG SER A 146 53.576 19.066 57.478 0.48 47.91 H new ATOM 1910 N SER A 147 57.044 21.389 56.460 0.49 50.39 N ATOM 1911 CA SER A 147 57.628 22.686 56.876 0.49 50.44 C ATOM 1912 C SER A 147 58.503 23.099 55.697 0.49 50.34 C ATOM 1913 O SER A 147 59.696 22.859 55.670 0.49 49.13 O ATOM 1914 CB SER A 147 58.456 22.466 58.146 0.49 51.57 C ATOM 1915 OG SER A 147 57.608 21.675 58.986 0.49 52.36 O ATOM 0 H SER A 147 57.568 20.711 56.537 0.49 50.39 H new ATOM 0 HA SER A 147 56.970 23.369 57.081 0.49 50.44 H new ATOM 0 HB2 SER A 147 59.289 22.008 57.951 0.49 51.57 H new ATOM 0 HB3 SER A 147 58.687 23.308 58.568 0.49 51.57 H new ATOM 0 HG SER A 147 58.003 21.512 59.709 0.49 52.36 H new ATOM 1921 N GLY A 148 57.876 23.698 54.729 0.64 50.75 N ATOM 1922 CA GLY A 148 58.627 24.149 53.525 0.64 51.44 C ATOM 1923 C GLY A 148 57.755 24.003 52.281 0.64 50.66 C ATOM 1924 O GLY A 148 56.562 23.775 52.383 0.64 48.19 O ATOM 0 H GLY A 148 57.032 23.865 54.719 0.64 50.75 H new ATOM 0 HA2 GLY A 148 58.899 25.074 53.632 0.64 51.44 H new ATOM 0 HA3 GLY A 148 59.437 23.625 53.425 0.64 51.44 H new ATOM 1928 N THR A 149 58.378 24.152 51.150 0.38 51.15 N ATOM 1929 CA THR A 149 57.643 24.032 49.875 0.38 51.97 C ATOM 1930 C THR A 149 58.525 23.268 48.886 0.38 52.09 C ATOM 1931 O THR A 149 59.688 23.609 48.749 0.38 51.02 O ATOM 1932 CB THR A 149 57.358 25.429 49.331 0.38 52.61 C ATOM 1933 OG1 THR A 149 56.812 26.186 50.411 0.38 53.26 O ATOM 1934 CG2 THR A 149 56.226 25.362 48.303 0.38 52.26 C ATOM 0 H THR A 149 59.217 24.322 51.072 0.38 51.15 H new ATOM 0 HA THR A 149 56.805 23.562 50.007 0.38 51.97 H new ATOM 0 HB THR A 149 58.168 25.801 48.949 0.38 52.61 H new ATOM 0 HG1 THR A 149 56.642 26.966 50.149 0.38 53.26 H new ATOM 0 HG21 THR A 149 56.048 26.251 47.959 0.38 52.26 H new ATOM 0 HG22 THR A 149 56.486 24.780 47.572 0.38 52.26 H new ATOM 0 HG23 THR A 149 55.426 25.012 48.725 0.38 52.26 H new ATOM 1942 N SER A 150 57.987 22.278 48.244 1.00 53.99 N ATOM 1943 CA SER A 150 58.754 21.494 47.254 1.00 53.61 C ATOM 1944 C SER A 150 57.612 20.996 46.425 1.00 51.81 C ATOM 1945 O SER A 150 56.663 20.467 46.973 1.00 51.61 O ATOM 1946 CB SER A 150 59.477 20.355 47.934 1.00 56.23 C ATOM 1947 OG SER A 150 60.294 19.774 46.922 1.00 58.80 O ATOM 0 H SER A 150 57.173 22.021 48.349 1.00 53.99 H new ATOM 0 HA SER A 150 59.444 21.972 46.768 1.00 53.61 H new ATOM 0 HB2 SER A 150 60.013 20.674 48.677 1.00 56.23 H new ATOM 0 HB3 SER A 150 58.851 19.707 48.294 1.00 56.23 H new ATOM 0 HG SER A 150 60.725 19.130 47.245 1.00 58.80 H new ATOM 1953 N TYR A 151 57.707 21.187 45.150 1.00 51.50 N ATOM 1954 CA TYR A 151 56.615 20.720 44.263 1.00 48.77 C ATOM 1955 C TYR A 151 57.246 19.733 43.332 1.00 43.36 C ATOM 1956 O TYR A 151 58.109 20.108 42.558 1.00 36.19 O ATOM 1957 CB TYR A 151 56.035 21.862 43.459 1.00 51.70 C ATOM 1958 CG TYR A 151 54.877 22.450 44.275 1.00 55.08 C ATOM 1959 CD1 TYR A 151 53.567 22.160 43.925 1.00 56.88 C ATOM 1960 CD2 TYR A 151 55.108 23.269 45.361 1.00 56.30 C ATOM 1961 CE1 TYR A 151 52.509 22.677 44.636 1.00 57.45 C ATOM 1962 CE2 TYR A 151 54.041 23.783 46.070 1.00 57.63 C ATOM 1963 CZ TYR A 151 52.741 23.494 45.714 1.00 57.02 C ATOM 1964 OH TYR A 151 51.703 24.041 46.432 1.00 55.80 O ATOM 0 H TYR A 151 58.366 21.572 44.755 1.00 51.50 H new ATOM 0 HA TYR A 151 55.891 20.336 44.782 1.00 48.77 H new ATOM 0 HB2 TYR A 151 56.710 22.537 43.287 1.00 51.70 H new ATOM 0 HB3 TYR A 151 55.721 21.549 42.596 1.00 51.70 H new ATOM 0 HD1 TYR A 151 53.401 21.606 43.197 1.00 56.88 H new ATOM 0 HD2 TYR A 151 55.979 23.474 45.614 1.00 56.30 H new ATOM 0 HE1 TYR A 151 51.637 22.473 44.386 1.00 57.45 H new ATOM 0 HE2 TYR A 151 54.202 24.334 46.801 1.00 57.63 H new ATOM 0 HH TYR A 151 52.011 24.512 47.056 1.00 55.80 H new ATOM 1974 N PRO A 152 56.809 18.507 43.422 1.00 41.97 N ATOM 1975 CA PRO A 152 57.373 17.418 42.632 1.00 41.43 C ATOM 1976 C PRO A 152 56.789 17.583 41.251 1.00 42.47 C ATOM 1977 O PRO A 152 55.892 18.382 41.025 1.00 41.31 O ATOM 1978 CB PRO A 152 56.892 16.146 43.312 1.00 43.83 C ATOM 1979 CG PRO A 152 55.465 16.580 43.787 1.00 43.92 C ATOM 1980 CD PRO A 152 55.698 18.018 44.311 1.00 43.45 C ATOM 0 HA PRO A 152 58.341 17.401 42.567 1.00 41.43 H new ATOM 0 HB2 PRO A 152 56.862 15.393 42.702 1.00 43.83 H new ATOM 0 HB3 PRO A 152 57.462 15.888 44.053 1.00 43.83 H new ATOM 0 HG2 PRO A 152 54.823 16.562 43.060 1.00 43.92 H new ATOM 0 HG3 PRO A 152 55.124 15.995 44.481 1.00 43.92 H new ATOM 0 HD2 PRO A 152 54.902 18.566 44.230 1.00 43.45 H new ATOM 0 HD3 PRO A 152 55.953 18.025 45.247 1.00 43.45 H new ATOM 1988 N ASP A 153 57.309 16.815 40.354 1.00 40.65 N ATOM 1989 CA ASP A 153 56.780 16.906 38.983 1.00 39.89 C ATOM 1990 C ASP A 153 56.245 15.548 38.630 1.00 35.28 C ATOM 1991 O ASP A 153 55.557 15.461 37.641 1.00 33.80 O ATOM 1992 CB ASP A 153 57.903 17.357 38.002 1.00 41.14 C ATOM 1993 CG ASP A 153 58.216 18.863 38.271 1.00 40.80 C ATOM 1994 OD1 ASP A 153 57.286 19.660 38.303 1.00 41.03 O ATOM 1995 OD2 ASP A 153 59.384 19.153 38.429 1.00 43.20 O ATOM 0 H ASP A 153 57.943 16.248 40.481 1.00 40.65 H new ATOM 0 HA ASP A 153 56.073 17.567 38.918 1.00 39.89 H new ATOM 0 HB2 ASP A 153 58.700 16.819 38.130 1.00 41.14 H new ATOM 0 HB3 ASP A 153 57.620 17.230 37.083 1.00 41.14 H new ATOM 2000 N VAL A 154 56.542 14.549 39.423 1.00 30.95 N ATOM 2001 CA VAL A 154 56.049 13.176 39.130 1.00 31.12 C ATOM 2002 C VAL A 154 54.963 12.943 40.147 1.00 28.45 C ATOM 2003 O VAL A 154 54.967 13.609 41.167 1.00 28.84 O ATOM 2004 CB VAL A 154 57.163 12.081 39.303 1.00 31.47 C ATOM 2005 CG1 VAL A 154 58.156 12.146 38.131 1.00 33.65 C ATOM 2006 CG2 VAL A 154 57.932 12.267 40.611 1.00 31.76 C ATOM 0 H VAL A 154 57.021 14.618 40.134 1.00 30.95 H new ATOM 0 HA VAL A 154 55.750 13.109 38.210 1.00 31.12 H new ATOM 0 HB VAL A 154 56.721 11.217 39.320 1.00 31.47 H new ATOM 0 HG11 VAL A 154 58.839 11.467 38.247 1.00 33.65 H new ATOM 0 HG12 VAL A 154 57.684 11.990 37.298 1.00 33.65 H new ATOM 0 HG13 VAL A 154 58.572 13.022 38.108 1.00 33.65 H new ATOM 0 HG21 VAL A 154 58.610 11.578 40.689 1.00 31.76 H new ATOM 0 HG22 VAL A 154 58.356 13.140 40.616 1.00 31.76 H new ATOM 0 HG23 VAL A 154 57.318 12.202 41.359 1.00 31.76 H new ATOM 2016 N LEU A 155 54.129 11.990 39.814 1.00 28.18 N ATOM 2017 CA LEU A 155 52.993 11.630 40.666 1.00 25.55 C ATOM 2018 C LEU A 155 53.486 10.937 41.913 1.00 23.50 C ATOM 2019 O LEU A 155 54.353 10.076 41.805 1.00 23.37 O ATOM 2020 CB LEU A 155 52.085 10.745 39.803 1.00 25.73 C ATOM 2021 CG LEU A 155 50.596 10.731 40.288 1.00 29.09 C ATOM 2022 CD1 LEU A 155 49.960 12.142 40.400 1.00 31.43 C ATOM 2023 CD2 LEU A 155 49.858 10.040 39.176 1.00 29.77 C ATOM 0 H LEU A 155 54.193 11.526 39.093 1.00 28.18 H new ATOM 0 HA LEU A 155 52.495 12.402 40.977 1.00 25.55 H new ATOM 0 HB2 LEU A 155 52.117 11.057 38.885 1.00 25.73 H new ATOM 0 HB3 LEU A 155 52.429 9.838 39.807 1.00 25.73 H new ATOM 0 HG LEU A 155 50.551 10.320 41.165 1.00 29.09 H new ATOM 0 HD11 LEU A 155 49.042 12.060 40.704 1.00 31.43 H new ATOM 0 HD12 LEU A 155 50.464 12.675 41.035 1.00 31.43 H new ATOM 0 HD13 LEU A 155 49.975 12.574 39.532 1.00 31.43 H new ATOM 0 HD21 LEU A 155 48.915 9.987 39.397 1.00 29.77 H new ATOM 0 HD22 LEU A 155 49.969 10.541 38.353 1.00 29.77 H new ATOM 0 HD23 LEU A 155 50.213 9.145 39.059 1.00 29.77 H new ATOM 2035 N LYS A 156 52.890 11.345 43.009 1.00 21.27 N ATOM 2036 CA LYS A 156 53.212 10.812 44.345 1.00 25.50 C ATOM 2037 C LYS A 156 51.933 10.121 44.841 1.00 26.31 C ATOM 2038 O LYS A 156 50.851 10.629 44.584 1.00 24.22 O ATOM 2039 CB LYS A 156 53.618 12.005 45.227 1.00 27.96 C ATOM 2040 CG LYS A 156 55.132 12.021 45.544 1.00 29.79 C ATOM 2041 CD LYS A 156 56.050 12.169 44.290 1.00 30.17 C ATOM 2042 CE LYS A 156 57.526 12.104 44.811 1.00 30.51 C ATOM 2043 NZ LYS A 156 58.509 12.435 43.748 0.39 28.89 N ATOM 0 H LYS A 156 52.276 11.947 43.015 1.00 21.27 H new ATOM 0 HA LYS A 156 53.943 10.174 44.354 1.00 25.50 H new ATOM 0 HB2 LYS A 156 53.376 12.831 44.780 1.00 27.96 H new ATOM 0 HB3 LYS A 156 53.117 11.975 46.057 1.00 27.96 H new ATOM 0 HG2 LYS A 156 55.316 12.752 46.155 1.00 29.79 H new ATOM 0 HG3 LYS A 156 55.364 11.200 46.006 1.00 29.79 H new ATOM 0 HD2 LYS A 156 55.878 11.460 43.650 1.00 30.17 H new ATOM 0 HD3 LYS A 156 55.881 13.009 43.835 1.00 30.17 H new ATOM 0 HE2 LYS A 156 57.633 12.720 45.552 1.00 30.51 H new ATOM 0 HE3 LYS A 156 57.708 11.215 45.153 1.00 30.51 H new ATOM 0 HZ1 LYS A 156 59.290 12.644 44.120 0.39 28.89 H new ATOM 0 HZ2 LYS A 156 58.614 11.733 43.212 0.39 28.89 H new ATOM 0 HZ3 LYS A 156 58.212 13.128 43.274 0.39 28.89 H new ATOM 2057 N CYS A 157 52.130 9.020 45.526 1.00 23.31 N ATOM 2058 CA CYS A 157 51.060 8.168 46.096 1.00 21.86 C ATOM 2059 C CYS A 157 51.247 8.026 47.571 1.00 25.72 C ATOM 2060 O CYS A 157 52.342 8.172 48.085 1.00 28.52 O ATOM 2061 CB CYS A 157 51.114 6.801 45.476 1.00 21.89 C ATOM 2062 SG CYS A 157 50.482 6.608 43.793 1.00 26.23 S ATOM 0 H CYS A 157 52.918 8.718 45.690 1.00 23.31 H new ATOM 0 HA CYS A 157 50.204 8.585 45.912 1.00 21.86 H new ATOM 0 HB2 CYS A 157 52.039 6.508 45.482 1.00 21.89 H new ATOM 0 HB3 CYS A 157 50.621 6.194 46.050 1.00 21.89 H new ATOM 2067 N LEU A 158 50.167 7.733 48.217 1.00 26.54 N ATOM 2068 CA LEU A 158 50.150 7.556 49.697 1.00 27.02 C ATOM 2069 C LEU A 158 49.029 6.586 50.056 1.00 26.75 C ATOM 2070 O LEU A 158 47.905 6.820 49.642 1.00 25.85 O ATOM 2071 CB LEU A 158 49.898 8.929 50.314 1.00 27.96 C ATOM 2072 CG LEU A 158 49.480 8.895 51.798 1.00 30.23 C ATOM 2073 CD1 LEU A 158 50.677 8.376 52.614 1.00 32.07 C ATOM 2074 CD2 LEU A 158 49.029 10.332 52.235 1.00 31.69 C ATOM 0 H LEU A 158 49.401 7.623 47.841 1.00 26.54 H new ATOM 0 HA LEU A 158 50.987 7.196 50.030 1.00 27.02 H new ATOM 0 HB2 LEU A 158 50.704 9.462 50.229 1.00 27.96 H new ATOM 0 HB3 LEU A 158 49.205 9.378 49.805 1.00 27.96 H new ATOM 0 HG LEU A 158 48.728 8.301 51.949 1.00 30.23 H new ATOM 0 HD11 LEU A 158 50.439 8.345 53.554 1.00 32.07 H new ATOM 0 HD12 LEU A 158 50.913 7.485 52.311 1.00 32.07 H new ATOM 0 HD13 LEU A 158 51.434 8.970 52.492 1.00 32.07 H new ATOM 0 HD21 LEU A 158 48.764 10.319 53.168 1.00 31.69 H new ATOM 0 HD22 LEU A 158 49.765 10.952 52.117 1.00 31.69 H new ATOM 0 HD23 LEU A 158 48.278 10.615 51.690 1.00 31.69 H new ATOM 2086 N LYS A 159 49.355 5.565 50.796 1.00 24.64 N ATOM 2087 CA LYS A 159 48.322 4.584 51.205 1.00 26.53 C ATOM 2088 C LYS A 159 47.946 5.090 52.600 1.00 25.62 C ATOM 2089 O LYS A 159 48.845 5.237 53.416 1.00 26.90 O ATOM 2090 CB LYS A 159 48.888 3.179 51.349 1.00 28.58 C ATOM 2091 CG LYS A 159 49.156 2.577 49.949 1.00 31.19 C ATOM 2092 CD LYS A 159 49.844 1.208 50.146 1.00 33.33 C ATOM 2093 CE LYS A 159 49.821 0.364 48.857 1.00 33.81 C ATOM 2094 NZ LYS A 159 50.890 0.793 47.915 0.01 33.89 N ATOM 0 H LYS A 159 50.149 5.400 51.082 1.00 24.64 H new ATOM 0 HA LYS A 159 47.598 4.523 50.563 1.00 26.53 H new ATOM 0 HB2 LYS A 159 49.710 3.204 51.863 1.00 28.58 H new ATOM 0 HB3 LYS A 159 48.265 2.619 51.838 1.00 28.58 H new ATOM 0 HG2 LYS A 159 48.325 2.472 49.459 1.00 31.19 H new ATOM 0 HG3 LYS A 159 49.720 3.169 49.427 1.00 31.19 H new ATOM 0 HD2 LYS A 159 50.762 1.345 50.426 1.00 33.33 H new ATOM 0 HD3 LYS A 159 49.400 0.722 50.858 1.00 33.33 H new ATOM 0 HE2 LYS A 159 49.938 -0.573 49.079 1.00 33.81 H new ATOM 0 HE3 LYS A 159 48.955 0.448 48.428 1.00 33.81 H new ATOM 0 HZ1 LYS A 159 50.857 0.292 47.180 0.01 33.89 H new ATOM 0 HZ2 LYS A 159 50.769 1.647 47.697 0.01 33.89 H new ATOM 0 HZ3 LYS A 159 51.685 0.696 48.304 0.01 33.89 H new ATOM 2108 N ALA A 160 46.685 5.356 52.841 1.00 22.57 N ATOM 2109 CA ALA A 160 46.282 5.848 54.189 1.00 20.08 C ATOM 2110 C ALA A 160 44.918 5.240 54.476 1.00 19.14 C ATOM 2111 O ALA A 160 44.178 5.067 53.533 1.00 16.33 O ATOM 2112 CB ALA A 160 46.155 7.406 54.217 1.00 23.19 C ATOM 0 H ALA A 160 46.045 5.270 52.273 1.00 22.57 H new ATOM 0 HA ALA A 160 46.949 5.597 54.847 1.00 20.08 H new ATOM 0 HB1 ALA A 160 45.892 7.694 55.105 1.00 23.19 H new ATOM 0 HB2 ALA A 160 47.009 7.805 53.988 1.00 23.19 H new ATOM 0 HB3 ALA A 160 45.485 7.688 53.575 1.00 23.19 H new ATOM 2118 N PRO A 161 44.617 4.953 55.731 1.00 14.90 N ATOM 2119 CA PRO A 161 43.288 4.484 56.161 1.00 16.24 C ATOM 2120 C PRO A 161 42.263 5.574 56.500 1.00 15.30 C ATOM 2121 O PRO A 161 42.592 6.724 56.748 1.00 14.06 O ATOM 2122 CB PRO A 161 43.580 3.624 57.348 1.00 16.33 C ATOM 2123 CG PRO A 161 44.714 4.458 58.051 1.00 16.97 C ATOM 2124 CD PRO A 161 45.561 5.012 56.886 1.00 17.18 C ATOM 0 HA PRO A 161 42.852 4.024 55.427 1.00 16.24 H new ATOM 0 HB2 PRO A 161 42.803 3.508 57.917 1.00 16.33 H new ATOM 0 HB3 PRO A 161 43.880 2.737 57.094 1.00 16.33 H new ATOM 0 HG2 PRO A 161 44.344 5.174 58.591 1.00 16.97 H new ATOM 0 HG3 PRO A 161 45.246 3.903 58.642 1.00 16.97 H new ATOM 0 HD2 PRO A 161 45.862 5.918 57.059 1.00 17.18 H new ATOM 0 HD3 PRO A 161 46.354 4.475 56.730 1.00 17.18 H new ATOM 2132 N ILE A 162 41.031 5.149 56.489 1.00 13.40 N ATOM 2133 CA ILE A 162 39.966 6.111 56.813 1.00 14.03 C ATOM 2134 C ILE A 162 39.994 6.116 58.343 1.00 16.56 C ATOM 2135 O ILE A 162 40.068 5.080 58.979 1.00 18.05 O ATOM 2136 CB ILE A 162 38.630 5.580 56.258 1.00 15.07 C ATOM 2137 CG1 ILE A 162 38.707 5.571 54.703 1.00 15.32 C ATOM 2138 CG2 ILE A 162 37.460 6.469 56.727 1.00 18.29 C ATOM 2139 CD1 ILE A 162 37.371 5.099 54.103 1.00 14.72 C ATOM 0 H ILE A 162 40.776 4.348 56.308 1.00 13.40 H new ATOM 0 HA ILE A 162 40.077 6.999 56.439 1.00 14.03 H new ATOM 0 HB ILE A 162 38.475 4.681 56.587 1.00 15.07 H new ATOM 0 HG12 ILE A 162 38.918 6.460 54.379 1.00 15.32 H new ATOM 0 HG13 ILE A 162 39.424 4.986 54.412 1.00 15.32 H new ATOM 0 HG21 ILE A 162 36.627 6.123 56.370 1.00 18.29 H new ATOM 0 HG22 ILE A 162 37.421 6.468 57.696 1.00 18.29 H new ATOM 0 HG23 ILE A 162 37.595 7.376 56.410 1.00 18.29 H new ATOM 0 HD11 ILE A 162 37.433 5.098 53.135 1.00 14.72 H new ATOM 0 HD12 ILE A 162 37.175 4.202 54.415 1.00 14.72 H new ATOM 0 HD13 ILE A 162 36.661 5.699 54.381 1.00 14.72 H new ATOM 2151 N LEU A 163 39.921 7.281 58.895 1.00 16.45 N ATOM 2152 CA LEU A 163 39.947 7.404 60.367 1.00 17.73 C ATOM 2153 C LEU A 163 38.518 7.405 60.865 1.00 20.07 C ATOM 2154 O LEU A 163 37.578 7.547 60.093 1.00 15.80 O ATOM 2155 CB LEU A 163 40.636 8.720 60.745 1.00 20.58 C ATOM 2156 CG LEU A 163 42.135 8.742 60.350 1.00 21.53 C ATOM 2157 CD1 LEU A 163 42.697 10.125 60.663 1.00 23.84 C ATOM 2158 CD2 LEU A 163 42.961 7.779 61.197 1.00 23.71 C ATOM 0 H LEU A 163 39.856 8.024 58.467 1.00 16.45 H new ATOM 0 HA LEU A 163 40.434 6.667 60.767 1.00 17.73 H new ATOM 0 HB2 LEU A 163 40.179 9.457 60.310 1.00 20.58 H new ATOM 0 HB3 LEU A 163 40.555 8.861 61.701 1.00 20.58 H new ATOM 0 HG LEU A 163 42.188 8.501 59.412 1.00 21.53 H new ATOM 0 HD11 LEU A 163 43.636 10.155 60.421 1.00 23.84 H new ATOM 0 HD12 LEU A 163 42.211 10.794 60.156 1.00 23.84 H new ATOM 0 HD13 LEU A 163 42.602 10.306 61.611 1.00 23.84 H new ATOM 0 HD21 LEU A 163 43.890 7.821 60.921 1.00 23.71 H new ATOM 0 HD22 LEU A 163 42.890 8.027 62.132 1.00 23.71 H new ATOM 0 HD23 LEU A 163 42.629 6.876 61.077 1.00 23.71 H new ATOM 2170 N SER A 164 38.397 7.266 62.154 1.00 22.99 N ATOM 2171 CA SER A 164 37.051 7.244 62.743 1.00 23.66 C ATOM 2172 C SER A 164 36.536 8.663 62.744 1.00 24.23 C ATOM 2173 O SER A 164 37.267 9.642 62.820 1.00 20.76 O ATOM 2174 CB SER A 164 37.159 6.677 64.175 1.00 23.88 C ATOM 2175 OG SER A 164 38.004 7.601 64.852 1.00 25.57 O ATOM 0 H SER A 164 39.049 7.184 62.709 1.00 22.99 H new ATOM 0 HA SER A 164 36.437 6.685 62.241 1.00 23.66 H new ATOM 0 HB2 SER A 164 36.289 6.616 64.599 1.00 23.88 H new ATOM 0 HB3 SER A 164 37.538 5.784 64.175 1.00 23.88 H new ATOM 0 HG SER A 164 38.423 8.062 64.289 1.00 25.57 H new ATOM 2181 N ASP A 165 35.249 8.739 62.662 1.00 25.84 N ATOM 2182 CA ASP A 165 34.628 10.061 62.652 1.00 28.88 C ATOM 2183 C ASP A 165 34.977 10.737 63.927 1.00 23.29 C ATOM 2184 O ASP A 165 35.225 11.922 63.894 1.00 22.97 O ATOM 2185 CB ASP A 165 33.069 9.911 62.459 1.00 34.92 C ATOM 2186 CG ASP A 165 32.726 10.146 60.923 1.00 40.26 C ATOM 2187 OD1 ASP A 165 33.097 11.196 60.404 1.00 45.09 O ATOM 2188 OD2 ASP A 165 32.109 9.271 60.331 1.00 44.91 O ATOM 0 H ASP A 165 34.710 8.070 62.612 1.00 25.84 H new ATOM 0 HA ASP A 165 34.953 10.601 61.915 1.00 28.88 H new ATOM 0 HB2 ASP A 165 32.778 9.029 62.738 1.00 34.92 H new ATOM 0 HB3 ASP A 165 32.597 10.554 63.012 1.00 34.92 H new ATOM 2193 N SER A 166 35.015 10.024 65.017 1.00 25.06 N ATOM 2194 CA SER A 166 35.370 10.726 66.286 1.00 25.26 C ATOM 2195 C SER A 166 36.790 11.287 66.229 1.00 23.90 C ATOM 2196 O SER A 166 36.994 12.408 66.650 1.00 19.37 O ATOM 2197 CB SER A 166 35.205 9.749 67.515 1.00 25.60 C ATOM 2198 OG SER A 166 35.757 8.480 67.166 0.81 27.38 O ATOM 0 H SER A 166 34.854 9.181 65.078 1.00 25.06 H new ATOM 0 HA SER A 166 34.762 11.473 66.399 1.00 25.26 H new ATOM 0 HB2 SER A 166 35.656 10.109 68.294 1.00 25.60 H new ATOM 0 HB3 SER A 166 34.268 9.656 67.748 1.00 25.60 H new ATOM 0 HG SER A 166 35.676 7.951 67.814 0.81 27.38 H new ATOM 2204 N SER A 167 37.732 10.538 65.724 1.00 22.40 N ATOM 2205 CA SER A 167 39.101 11.113 65.684 1.00 21.34 C ATOM 2206 C SER A 167 39.185 12.297 64.695 1.00 20.92 C ATOM 2207 O SER A 167 40.025 13.175 64.819 1.00 22.88 O ATOM 2208 CB SER A 167 40.078 9.974 65.304 1.00 23.86 C ATOM 2209 OG SER A 167 39.679 9.395 64.057 1.00 30.23 O ATOM 0 H SER A 167 37.638 9.742 65.411 1.00 22.40 H new ATOM 0 HA SER A 167 39.340 11.474 66.552 1.00 21.34 H new ATOM 0 HB2 SER A 167 40.982 10.320 65.236 1.00 23.86 H new ATOM 0 HB3 SER A 167 40.085 9.296 65.998 1.00 23.86 H new ATOM 0 HG SER A 167 39.002 9.798 63.765 1.00 30.23 H new ATOM 2215 N CYS A 168 38.307 12.275 63.726 1.00 20.57 N ATOM 2216 CA CYS A 168 38.258 13.341 62.697 1.00 14.38 C ATOM 2217 C CYS A 168 37.640 14.583 63.317 1.00 11.55 C ATOM 2218 O CYS A 168 38.174 15.669 63.260 1.00 9.07 O ATOM 2219 CB CYS A 168 37.406 12.810 61.514 1.00 15.48 C ATOM 2220 SG CYS A 168 37.262 13.782 59.984 1.00 15.92 S ATOM 0 H CYS A 168 37.717 11.657 63.626 1.00 20.57 H new ATOM 0 HA CYS A 168 39.141 13.575 62.372 1.00 14.38 H new ATOM 0 HB2 CYS A 168 37.761 11.941 61.271 1.00 15.48 H new ATOM 0 HB3 CYS A 168 36.507 12.665 61.849 1.00 15.48 H new ATOM 2225 N LYS A 169 36.506 14.394 63.917 1.00 13.38 N ATOM 2226 CA LYS A 169 35.795 15.541 64.559 1.00 15.40 C ATOM 2227 C LYS A 169 36.523 16.104 65.794 1.00 18.62 C ATOM 2228 O LYS A 169 36.307 17.268 66.117 1.00 16.71 O ATOM 2229 CB ALYS A 169 34.403 15.075 64.957 0.85 12.66 C ATOM 2230 CB BLYS A 169 34.383 15.090 64.952 0.21 16.43 C ATOM 2231 CG ALYS A 169 33.527 14.926 63.696 0.85 11.16 C ATOM 2232 CG BLYS A 169 33.564 14.680 63.680 0.21 16.47 C ATOM 2233 CD ALYS A 169 32.221 14.224 64.075 0.85 11.53 C ATOM 2234 CD BLYS A 169 32.249 14.044 64.186 0.21 17.24 C ATOM 2235 CE ALYS A 169 31.253 14.151 62.907 0.85 17.36 C ATOM 2236 CE BLYS A 169 31.443 13.301 63.126 0.21 18.22 C ATOM 2237 NZ ALYS A 169 30.135 13.248 63.308 0.85 20.27 N ATOM 2238 NZ BLYS A 169 30.618 14.228 62.321 0.21 18.39 N ATOM 0 H LYS A 169 36.107 13.635 63.982 1.00 13.38 H new ATOM 0 HA LYS A 169 35.761 16.263 63.913 1.00 15.40 H new ATOM 0 HB2ALYS A 169 34.457 14.228 65.426 0.85 16.43 H new ATOM 0 HB2BLYS A 169 34.436 14.340 65.565 0.21 16.43 H new ATOM 0 HB3ALYS A 169 34.001 15.712 65.568 0.85 16.43 H new ATOM 0 HB3BLYS A 169 33.927 15.807 65.420 0.21 16.43 H new ATOM 0 HG2ALYS A 169 33.340 15.798 63.313 0.85 16.47 H new ATOM 0 HG2BLYS A 169 33.381 15.453 63.124 0.21 16.47 H new ATOM 0 HG3ALYS A 169 33.998 14.415 63.020 0.85 16.47 H new ATOM 0 HG3BLYS A 169 34.064 14.051 63.136 0.21 16.47 H new ATOM 0 HD2ALYS A 169 32.416 13.327 64.388 0.85 17.24 H new ATOM 0 HD2BLYS A 169 32.459 13.427 64.904 0.21 17.24 H new ATOM 0 HD3ALYS A 169 31.803 14.697 64.811 0.85 17.24 H new ATOM 0 HD3BLYS A 169 31.693 14.742 64.565 0.21 17.24 H new ATOM 0 HE2ALYS A 169 30.917 15.034 62.687 0.85 18.22 H new ATOM 0 HE2BLYS A 169 32.046 12.813 62.543 0.21 18.22 H new ATOM 0 HE3ALYS A 169 31.699 13.812 62.115 0.85 18.22 H new ATOM 0 HE3BLYS A 169 30.870 12.646 63.554 0.21 18.22 H new ATOM 0 HZ1ALYS A 169 29.550 13.186 62.641 0.85 18.39 H new ATOM 0 HZ1BLYS A 169 30.160 13.767 61.713 0.21 18.39 H new ATOM 0 HZ2ALYS A 169 30.458 12.440 63.495 0.85 18.39 H new ATOM 0 HZ2BLYS A 169 30.051 14.660 62.854 0.21 18.39 H new ATOM 0 HZ3ALYS A 169 29.729 13.579 64.028 0.85 18.39 H new ATOM 0 HZ3BLYS A 169 31.146 14.816 61.911 0.21 18.39 H new ATOM 2263 N SER A 170 37.324 15.330 66.471 1.00 20.09 N ATOM 2264 CA SER A 170 38.017 15.929 67.651 1.00 21.28 C ATOM 2265 C SER A 170 39.150 16.858 67.132 1.00 24.22 C ATOM 2266 O SER A 170 39.536 17.847 67.738 1.00 22.76 O ATOM 2267 CB ASER A 170 38.574 14.781 68.490 0.37 21.44 C ATOM 2268 CB BSER A 170 38.563 14.791 68.488 0.58 18.97 C ATOM 2269 OG ASER A 170 39.068 13.868 67.517 0.37 23.66 O ATOM 2270 OG BSER A 170 37.376 14.033 68.697 0.58 23.85 O ATOM 0 H SER A 170 37.494 14.504 66.304 1.00 20.09 H new ATOM 0 HA SER A 170 37.416 16.458 68.199 1.00 21.28 H new ATOM 0 HB2ASER A 170 39.277 15.083 69.086 0.37 18.97 H new ATOM 0 HB2BSER A 170 39.247 14.285 68.022 0.58 18.97 H new ATOM 0 HB3ASER A 170 37.887 14.377 69.043 0.37 18.97 H new ATOM 0 HB3BSER A 170 38.955 15.100 69.320 0.58 18.97 H new ATOM 0 HG ASER A 170 38.496 13.268 67.380 0.37 23.85 H new ATOM 0 HG BSER A 170 37.298 13.461 68.087 0.58 23.85 H new ATOM 2279 N ALA A 171 39.637 16.479 65.977 1.00 27.37 N ATOM 2280 CA ALA A 171 40.739 17.232 65.283 1.00 24.05 C ATOM 2281 C ALA A 171 40.183 18.546 64.702 1.00 22.94 C ATOM 2282 O ALA A 171 40.901 19.527 64.715 1.00 21.55 O ATOM 2283 CB ALA A 171 41.329 16.386 64.129 1.00 24.78 C ATOM 0 H ALA A 171 39.362 15.786 65.549 1.00 27.37 H new ATOM 0 HA ALA A 171 41.436 17.422 65.930 1.00 24.05 H new ATOM 0 HB1 ALA A 171 42.037 16.884 63.692 1.00 24.78 H new ATOM 0 HB2 ALA A 171 41.689 15.558 64.485 1.00 24.78 H new ATOM 0 HB3 ALA A 171 40.631 16.185 63.486 1.00 24.78 H new ATOM 2289 N TYR A 172 38.970 18.553 64.191 1.00 17.29 N ATOM 2290 CA TYR A 172 38.383 19.810 63.635 1.00 14.26 C ATOM 2291 C TYR A 172 36.972 20.151 64.249 1.00 17.88 C ATOM 2292 O TYR A 172 35.977 20.040 63.558 1.00 19.15 O ATOM 2293 CB TYR A 172 38.255 19.651 62.145 1.00 15.41 C ATOM 2294 CG TYR A 172 39.603 19.390 61.485 1.00 11.42 C ATOM 2295 CD1 TYR A 172 39.939 18.154 60.968 1.00 9.88 C ATOM 2296 CD2 TYR A 172 40.489 20.427 61.370 1.00 9.21 C ATOM 2297 CE1 TYR A 172 41.151 17.960 60.344 1.00 11.90 C ATOM 2298 CE2 TYR A 172 41.695 20.237 60.749 1.00 10.63 C ATOM 2299 CZ TYR A 172 42.039 19.001 60.223 1.00 9.95 C ATOM 2300 OH TYR A 172 43.257 18.844 59.587 1.00 13.00 O ATOM 0 H TYR A 172 38.458 17.864 64.146 1.00 17.29 H new ATOM 0 HA TYR A 172 38.974 20.544 63.865 1.00 14.26 H new ATOM 0 HB2 TYR A 172 37.652 18.917 61.949 1.00 15.41 H new ATOM 0 HB3 TYR A 172 37.860 20.452 61.767 1.00 15.41 H new ATOM 0 HD1 TYR A 172 39.341 17.446 61.042 1.00 9.88 H new ATOM 0 HD2 TYR A 172 40.272 21.263 61.715 1.00 9.21 H new ATOM 0 HE1 TYR A 172 41.369 17.122 60.004 1.00 11.90 H new ATOM 0 HE2 TYR A 172 42.292 20.947 60.679 1.00 10.63 H new ATOM 0 HH TYR A 172 43.272 18.105 59.188 1.00 13.00 H new ATOM 2310 N PRO A 173 36.865 20.549 65.510 1.00 19.21 N ATOM 2311 CA PRO A 173 35.551 20.655 66.211 1.00 15.54 C ATOM 2312 C PRO A 173 34.605 21.654 65.532 1.00 15.19 C ATOM 2313 O PRO A 173 34.967 22.776 65.215 1.00 19.97 O ATOM 2314 CB PRO A 173 35.917 21.042 67.651 1.00 15.15 C ATOM 2315 CG PRO A 173 37.394 20.562 67.772 1.00 16.65 C ATOM 2316 CD PRO A 173 37.986 20.921 66.406 1.00 15.08 C ATOM 0 HA PRO A 173 35.050 19.825 66.185 1.00 15.54 H new ATOM 0 HB2 PRO A 173 35.836 21.997 67.799 1.00 15.15 H new ATOM 0 HB3 PRO A 173 35.342 20.605 68.298 1.00 15.15 H new ATOM 0 HG2 PRO A 173 37.860 21.011 68.495 1.00 16.65 H new ATOM 0 HG3 PRO A 173 37.449 19.610 67.948 1.00 16.65 H new ATOM 0 HD2 PRO A 173 38.213 21.862 66.340 1.00 15.08 H new ATOM 0 HD3 PRO A 173 38.794 20.420 66.212 1.00 15.08 H new ATOM 2324 N GLY A 174 33.406 21.199 65.324 1.00 13.63 N ATOM 2325 CA GLY A 174 32.341 22.008 64.681 1.00 15.73 C ATOM 2326 C GLY A 174 32.606 22.221 63.205 1.00 15.29 C ATOM 2327 O GLY A 174 31.949 23.062 62.623 1.00 18.28 O ATOM 0 H GLY A 174 33.156 20.406 65.544 1.00 13.63 H new ATOM 0 HA2 GLY A 174 31.486 21.565 64.795 1.00 15.73 H new ATOM 0 HA3 GLY A 174 32.276 22.868 65.125 1.00 15.73 H new ATOM 2331 N GLN A 175 33.520 21.485 62.636 1.00 17.18 N ATOM 2332 CA GLN A 175 33.826 21.673 61.192 1.00 17.90 C ATOM 2333 C GLN A 175 33.569 20.500 60.268 1.00 15.76 C ATOM 2334 O GLN A 175 33.528 20.704 59.059 1.00 19.07 O ATOM 2335 CB GLN A 175 35.293 22.039 61.019 1.00 22.66 C ATOM 2336 CG GLN A 175 35.666 23.375 61.669 1.00 27.32 C ATOM 2337 CD GLN A 175 37.192 23.478 61.427 1.00 31.26 C ATOM 2338 OE1 GLN A 175 37.985 23.022 62.223 1.00 37.75 O ATOM 2339 NE2 GLN A 175 37.659 24.046 60.353 1.00 31.86 N ATOM 0 H GLN A 175 33.981 20.877 63.033 1.00 17.18 H new ATOM 0 HA GLN A 175 33.204 22.370 60.931 1.00 17.90 H new ATOM 0 HB2 GLN A 175 35.842 21.336 61.401 1.00 22.66 H new ATOM 0 HB3 GLN A 175 35.500 22.078 60.072 1.00 22.66 H new ATOM 0 HG2 GLN A 175 35.189 24.116 61.263 1.00 27.32 H new ATOM 0 HG3 GLN A 175 35.453 23.384 62.615 1.00 27.32 H new ATOM 0 HE21 GLN A 175 37.118 24.378 59.772 1.00 31.86 H new ATOM 0 HE22 GLN A 175 38.508 24.090 60.224 1.00 31.86 H new ATOM 2348 N ILE A 176 33.395 19.321 60.781 1.00 14.73 N ATOM 2349 CA ILE A 176 33.164 18.183 59.860 1.00 10.23 C ATOM 2350 C ILE A 176 31.660 17.954 59.693 1.00 15.54 C ATOM 2351 O ILE A 176 30.890 17.985 60.641 1.00 17.97 O ATOM 2352 CB ILE A 176 33.893 16.996 60.487 1.00 11.90 C ATOM 2353 CG1 ILE A 176 35.452 17.267 60.717 1.00 8.62 C ATOM 2354 CG2 ILE A 176 33.687 15.629 59.733 1.00 11.59 C ATOM 2355 CD1 ILE A 176 36.181 17.682 59.465 1.00 8.59 C ATOM 0 H ILE A 176 33.401 19.133 61.620 1.00 14.73 H new ATOM 0 HA ILE A 176 33.503 18.337 58.964 1.00 10.23 H new ATOM 0 HB ILE A 176 33.467 16.905 61.353 1.00 11.90 H new ATOM 0 HG12 ILE A 176 35.557 17.959 61.388 1.00 8.62 H new ATOM 0 HG13 ILE A 176 35.864 16.463 61.071 1.00 8.62 H new ATOM 0 HG21 ILE A 176 34.179 14.929 60.191 1.00 11.59 H new ATOM 0 HG22 ILE A 176 32.743 15.405 59.721 1.00 11.59 H new ATOM 0 HG23 ILE A 176 34.012 15.709 58.822 1.00 11.59 H new ATOM 0 HD11 ILE A 176 37.117 17.831 59.670 1.00 8.59 H new ATOM 0 HD12 ILE A 176 36.103 16.982 58.798 1.00 8.59 H new ATOM 0 HD13 ILE A 176 35.792 18.501 59.120 1.00 8.59 H new ATOM 2367 N THR A 177 31.267 17.732 58.467 1.00 14.82 N ATOM 2368 CA THR A 177 29.831 17.484 58.185 1.00 12.53 C ATOM 2369 C THR A 177 29.769 16.025 57.737 1.00 12.28 C ATOM 2370 O THR A 177 30.782 15.347 57.634 1.00 6.89 O ATOM 2371 CB THR A 177 29.284 18.393 57.051 1.00 14.69 C ATOM 2372 OG1 THR A 177 30.020 18.196 55.829 1.00 16.77 O ATOM 2373 CG2 THR A 177 29.492 19.856 57.457 1.00 13.34 C ATOM 0 H THR A 177 31.784 17.716 57.780 1.00 14.82 H new ATOM 0 HA THR A 177 29.291 17.674 58.968 1.00 12.53 H new ATOM 0 HB THR A 177 28.349 18.175 56.914 1.00 14.69 H new ATOM 0 HG1 THR A 177 29.761 18.750 55.253 1.00 16.77 H new ATOM 0 HG21 THR A 177 29.155 20.437 56.757 1.00 13.34 H new ATOM 0 HG22 THR A 177 29.015 20.034 58.283 1.00 13.34 H new ATOM 0 HG23 THR A 177 30.438 20.024 57.588 1.00 13.34 H new ATOM 2381 N SER A 178 28.584 15.599 57.470 1.00 10.70 N ATOM 2382 CA SER A 178 28.361 14.218 57.032 1.00 16.56 C ATOM 2383 C SER A 178 28.933 13.992 55.639 1.00 18.23 C ATOM 2384 O SER A 178 29.040 12.871 55.167 1.00 16.69 O ATOM 2385 CB SER A 178 26.839 13.976 57.062 1.00 22.34 C ATOM 2386 OG SER A 178 26.293 15.116 56.392 1.00 27.09 O ATOM 0 H SER A 178 27.872 16.078 57.529 1.00 10.70 H new ATOM 0 HA SER A 178 28.813 13.592 57.619 1.00 16.56 H new ATOM 0 HB2 SER A 178 26.602 13.151 56.610 1.00 22.34 H new ATOM 0 HB3 SER A 178 26.508 13.906 57.971 1.00 22.34 H new ATOM 0 HG SER A 178 25.986 15.654 56.959 1.00 27.09 H new ATOM 2392 N ASN A 179 29.296 15.080 55.019 1.00 17.73 N ATOM 2393 CA ASN A 179 29.858 14.969 53.639 1.00 15.03 C ATOM 2394 C ASN A 179 31.345 14.949 53.632 1.00 13.17 C ATOM 2395 O ASN A 179 31.941 15.087 52.585 1.00 11.88 O ATOM 2396 CB ASN A 179 29.381 16.160 52.808 1.00 15.09 C ATOM 2397 CG ASN A 179 27.874 16.104 52.708 1.00 15.52 C ATOM 2398 OD1 ASN A 179 27.273 15.064 52.538 1.00 17.16 O ATOM 2399 ND2 ASN A 179 27.186 17.188 52.803 1.00 17.60 N ATOM 0 H ASN A 179 29.241 15.877 55.337 1.00 17.73 H new ATOM 0 HA ASN A 179 29.547 14.130 53.264 1.00 15.03 H new ATOM 0 HB2 ASN A 179 29.661 16.992 53.221 1.00 15.09 H new ATOM 0 HB3 ASN A 179 29.778 16.134 51.924 1.00 15.09 H new ATOM 0 HD21 ASN A 179 26.328 17.159 52.746 1.00 17.60 H new ATOM 0 HD22 ASN A 179 27.584 17.941 52.924 1.00 17.60 H new ATOM 2406 N MET A 180 31.939 14.781 54.775 1.00 12.04 N ATOM 2407 CA MET A 180 33.436 14.755 54.878 1.00 14.21 C ATOM 2408 C MET A 180 33.930 13.585 55.706 1.00 14.85 C ATOM 2409 O MET A 180 33.183 13.151 56.569 1.00 14.41 O ATOM 2410 CB MET A 180 34.008 15.950 55.623 1.00 10.69 C ATOM 2411 CG MET A 180 33.607 17.253 55.028 1.00 9.83 C ATOM 2412 SD MET A 180 33.922 18.656 56.132 1.00 11.04 S ATOM 2413 CE MET A 180 32.970 19.929 55.267 1.00 10.94 C ATOM 0 H MET A 180 31.527 14.677 55.523 1.00 12.04 H new ATOM 0 HA MET A 180 33.719 14.725 53.951 1.00 14.21 H new ATOM 0 HB2 MET A 180 33.715 15.919 56.547 1.00 10.69 H new ATOM 0 HB3 MET A 180 34.976 15.887 55.630 1.00 10.69 H new ATOM 0 HG2 MET A 180 34.089 17.386 54.197 1.00 9.83 H new ATOM 0 HG3 MET A 180 32.663 17.226 54.807 1.00 9.83 H new ATOM 0 HE1 MET A 180 32.867 20.703 55.842 1.00 10.94 H new ATOM 0 HE2 MET A 180 33.437 20.188 54.457 1.00 10.94 H new ATOM 0 HE3 MET A 180 32.095 19.579 55.037 1.00 10.94 H new ATOM 2423 N PHE A 181 35.138 13.143 55.417 1.00 8.65 N ATOM 2424 CA PHE A 181 35.732 12.032 56.207 1.00 10.76 C ATOM 2425 C PHE A 181 37.200 12.429 56.288 1.00 10.11 C ATOM 2426 O PHE A 181 37.660 13.299 55.578 1.00 5.69 O ATOM 2427 CB PHE A 181 35.545 10.587 55.541 1.00 8.81 C ATOM 2428 CG PHE A 181 36.260 10.245 54.259 1.00 10.00 C ATOM 2429 CD1 PHE A 181 37.589 9.838 54.261 1.00 13.79 C ATOM 2430 CD2 PHE A 181 35.579 10.328 53.072 1.00 11.45 C ATOM 2431 CE1 PHE A 181 38.206 9.515 53.057 1.00 10.67 C ATOM 2432 CE2 PHE A 181 36.187 10.008 51.877 1.00 12.56 C ATOM 2433 CZ PHE A 181 37.511 9.597 51.861 1.00 8.64 C ATOM 0 H PHE A 181 35.636 13.451 54.787 1.00 8.65 H new ATOM 0 HA PHE A 181 35.300 11.930 57.069 1.00 10.76 H new ATOM 0 HB2 PHE A 181 35.810 9.929 56.203 1.00 8.81 H new ATOM 0 HB3 PHE A 181 34.596 10.464 55.383 1.00 8.81 H new ATOM 0 HD1 PHE A 181 38.061 9.782 55.060 1.00 13.79 H new ATOM 0 HD2 PHE A 181 34.691 10.605 53.073 1.00 11.45 H new ATOM 0 HE1 PHE A 181 39.095 9.241 53.055 1.00 10.67 H new ATOM 0 HE2 PHE A 181 35.709 10.068 51.081 1.00 12.56 H new ATOM 0 HZ PHE A 181 37.927 9.379 51.058 1.00 8.64 H new ATOM 2443 N CYS A 182 37.915 11.793 57.154 1.00 18.85 N ATOM 2444 CA CYS A 182 39.363 12.071 57.347 1.00 16.67 C ATOM 2445 C CYS A 182 40.080 10.782 57.100 1.00 15.36 C ATOM 2446 O CYS A 182 39.545 9.720 57.360 1.00 15.61 O ATOM 2447 CB CYS A 182 39.713 12.527 58.844 1.00 16.43 C ATOM 2448 SG CYS A 182 39.161 14.136 59.472 1.00 15.03 S ATOM 0 H CYS A 182 37.604 11.177 57.667 1.00 18.85 H new ATOM 0 HA CYS A 182 39.622 12.788 56.748 1.00 16.67 H new ATOM 0 HB2 CYS A 182 39.356 11.850 59.440 1.00 16.43 H new ATOM 0 HB3 CYS A 182 40.679 12.502 58.932 1.00 16.43 H new ATOM 2453 N ALA A 183 41.279 10.905 56.615 1.00 21.51 N ATOM 2454 CA ALA A 183 42.149 9.736 56.317 1.00 19.45 C ATOM 2455 C ALA A 183 43.556 10.281 56.554 1.00 25.41 C ATOM 2456 O ALA A 183 43.813 11.475 56.399 1.00 21.97 O ATOM 2457 CB ALA A 183 42.060 9.275 54.852 1.00 17.29 C ATOM 0 H ALA A 183 41.642 11.664 56.437 1.00 21.51 H new ATOM 0 HA ALA A 183 41.897 8.972 56.858 1.00 19.45 H new ATOM 0 HB1 ALA A 183 42.645 8.514 54.716 1.00 17.29 H new ATOM 0 HB2 ALA A 183 41.147 9.021 54.648 1.00 17.29 H new ATOM 0 HB3 ALA A 183 42.332 10.000 54.267 1.00 17.29 H new ATOM 2463 N GLY A 184A 44.411 9.375 56.901 1.00 31.30 N ATOM 2464 CA GLY A 184A 45.813 9.732 57.166 1.00 34.07 C ATOM 2465 C GLY A 184A 46.270 9.076 58.471 1.00 37.13 C ATOM 2466 O GLY A 184A 45.779 8.037 58.881 1.00 33.23 O ATOM 0 H GLY A 184A 44.225 8.541 56.996 1.00 31.30 H new ATOM 0 HA2 GLY A 184A 46.375 9.440 56.432 1.00 34.07 H new ATOM 0 HA3 GLY A 184A 45.905 10.696 57.228 1.00 34.07 H new ATOM 2470 N TYR A 184 47.228 9.729 59.064 1.00 40.96 N ATOM 2471 CA TYR A 184 47.821 9.272 60.341 1.00 42.91 C ATOM 2472 C TYR A 184 47.803 10.500 61.237 1.00 46.08 C ATOM 2473 O TYR A 184 48.081 11.609 60.795 1.00 48.69 O ATOM 2474 CB TYR A 184 49.286 8.801 60.115 1.00 41.05 C ATOM 2475 CG TYR A 184 49.258 7.697 59.056 1.00 39.28 C ATOM 2476 CD1 TYR A 184 49.174 8.029 57.716 1.00 40.45 C ATOM 2477 CD2 TYR A 184 49.290 6.362 59.421 1.00 37.55 C ATOM 2478 CE1 TYR A 184 49.117 7.039 56.749 1.00 39.25 C ATOM 2479 CE2 TYR A 184 49.233 5.377 58.464 1.00 37.86 C ATOM 2480 CZ TYR A 184 49.144 5.708 57.119 1.00 37.20 C ATOM 2481 OH TYR A 184 49.052 4.710 56.173 1.00 35.06 O ATOM 0 H TYR A 184 47.571 10.455 58.757 1.00 40.96 H new ATOM 0 HA TYR A 184 47.335 8.525 60.725 1.00 42.91 H new ATOM 0 HB2 TYR A 184 49.840 9.541 59.822 1.00 41.05 H new ATOM 0 HB3 TYR A 184 49.669 8.470 60.942 1.00 41.05 H new ATOM 0 HD1 TYR A 184 49.156 8.924 57.462 1.00 40.45 H new ATOM 0 HD2 TYR A 184 49.350 6.130 60.320 1.00 37.55 H new ATOM 0 HE1 TYR A 184 49.061 7.270 55.850 1.00 39.25 H new ATOM 0 HE2 TYR A 184 49.254 4.483 58.719 1.00 37.86 H new ATOM 0 HH TYR A 184 49.066 5.050 55.405 1.00 35.06 H new ATOM 2491 N LEU A 185 47.496 10.267 62.478 0.49 42.76 N ATOM 2492 CA LEU A 185 47.450 11.397 63.439 0.49 41.48 C ATOM 2493 C LEU A 185 48.860 11.671 63.909 0.49 38.84 C ATOM 2494 O LEU A 185 49.129 12.731 64.423 0.49 31.48 O ATOM 2495 CB LEU A 185 46.549 11.028 64.633 0.49 42.59 C ATOM 2496 CG LEU A 185 45.060 10.860 64.197 0.49 41.59 C ATOM 2497 CD1 LEU A 185 44.200 10.757 65.482 0.49 41.91 C ATOM 2498 CD2 LEU A 185 44.580 12.068 63.343 0.49 41.07 C ATOM 0 H LEU A 185 47.311 9.494 62.806 0.49 42.76 H new ATOM 0 HA LEU A 185 47.084 12.189 63.015 0.49 41.48 H new ATOM 0 HB2 LEU A 185 46.864 10.203 65.035 0.49 42.59 H new ATOM 0 HB3 LEU A 185 46.612 11.717 65.313 0.49 42.59 H new ATOM 0 HG LEU A 185 44.972 10.063 63.652 0.49 41.59 H new ATOM 0 HD11 LEU A 185 43.267 10.652 65.239 0.49 41.91 H new ATOM 0 HD12 LEU A 185 44.487 9.991 66.003 0.49 41.91 H new ATOM 0 HD13 LEU A 185 44.307 11.564 66.009 0.49 41.91 H new ATOM 0 HD21 LEU A 185 43.654 11.936 63.087 0.49 41.07 H new ATOM 0 HD22 LEU A 185 44.659 12.883 63.863 0.49 41.07 H new ATOM 0 HD23 LEU A 185 45.128 12.139 62.546 0.49 41.07 H new ATOM 2510 N GLU A 186 49.751 10.737 63.740 0.62 39.70 N ATOM 2511 CA GLU A 186 51.138 11.034 64.202 0.29 42.47 C ATOM 2512 C GLU A 186 51.719 12.096 63.241 0.62 44.35 C ATOM 2513 O GLU A 186 52.794 12.606 63.466 0.62 45.30 O ATOM 2514 CB GLU A 186 52.020 9.737 64.175 0.29 41.95 C ATOM 2515 CG GLU A 186 52.202 9.155 62.756 0.29 41.79 C ATOM 2516 CD GLU A 186 53.179 7.965 62.817 0.29 43.61 C ATOM 2517 OE1 GLU A 186 52.786 6.965 63.401 0.29 45.16 O ATOM 2518 OE2 GLU A 186 54.266 8.122 62.278 0.29 43.33 O ATOM 0 H GLU A 186 49.619 9.964 63.388 0.62 39.70 H new ATOM 0 HA GLU A 186 51.130 11.360 65.115 0.29 42.47 H new ATOM 0 HB2 GLU A 186 52.892 9.938 64.550 0.29 41.95 H new ATOM 0 HB3 GLU A 186 51.614 9.065 64.744 0.29 41.95 H new ATOM 0 HG2 GLU A 186 51.347 8.867 62.401 0.29 41.79 H new ATOM 0 HG3 GLU A 186 52.543 9.837 62.156 0.29 41.79 H new ATOM 2525 N GLY A 187 51.002 12.400 62.190 0.64 46.54 N ATOM 2526 CA GLY A 187 51.512 13.418 61.228 0.64 48.10 C ATOM 2527 C GLY A 187 52.442 12.638 60.313 0.64 50.37 C ATOM 2528 O GLY A 187 52.373 11.420 60.276 0.64 54.09 O ATOM 0 H GLY A 187 50.238 12.056 61.995 0.64 46.54 H new ATOM 0 HA2 GLY A 187 50.788 13.828 60.730 0.64 48.10 H new ATOM 0 HA3 GLY A 187 51.983 14.133 61.685 0.64 48.10 H new ATOM 2532 N GLY A 188A 53.276 13.304 59.575 0.68 51.11 N ATOM 2533 CA GLY A 188A 54.212 12.554 58.676 0.68 51.39 C ATOM 2534 C GLY A 188A 53.782 12.420 57.217 0.68 50.40 C ATOM 2535 O GLY A 188A 54.443 12.930 56.330 0.68 47.96 O ATOM 0 H GLY A 188A 53.345 14.161 59.552 0.68 51.11 H new ATOM 0 HA2 GLY A 188A 55.076 12.994 58.700 0.68 51.39 H new ATOM 0 HA3 GLY A 188A 54.337 11.664 59.040 0.68 51.39 H new ATOM 2539 N LYS A 188 52.681 11.745 57.003 1.00 50.03 N ATOM 2540 CA LYS A 188 52.170 11.542 55.605 1.00 48.52 C ATOM 2541 C LYS A 188 50.775 12.172 55.528 1.00 47.43 C ATOM 2542 O LYS A 188 50.031 12.059 56.494 1.00 45.42 O ATOM 2543 CB LYS A 188 52.057 10.022 55.265 0.43 46.81 C ATOM 2544 CG LYS A 188 53.244 9.214 55.857 0.43 46.84 C ATOM 2545 CD LYS A 188 52.830 8.721 57.271 0.43 48.46 C ATOM 2546 CE LYS A 188 54.064 8.326 58.105 0.43 48.73 C ATOM 2547 NZ LYS A 188 53.685 8.285 59.549 0.43 48.42 N ATOM 0 H LYS A 188 52.199 11.389 57.620 1.00 50.03 H new ATOM 0 HA LYS A 188 52.783 11.949 54.973 1.00 48.52 H new ATOM 0 HB2 LYS A 188 51.222 9.673 55.613 0.43 46.81 H new ATOM 0 HB3 LYS A 188 52.034 9.906 54.302 0.43 46.81 H new ATOM 0 HG2 LYS A 188 53.461 8.461 55.285 0.43 46.84 H new ATOM 0 HG3 LYS A 188 54.039 9.768 55.910 0.43 46.84 H new ATOM 0 HD2 LYS A 188 52.337 9.420 57.729 0.43 48.46 H new ATOM 0 HD3 LYS A 188 52.234 7.960 57.190 0.43 48.46 H new ATOM 0 HE2 LYS A 188 54.396 7.460 57.822 0.43 48.73 H new ATOM 0 HE3 LYS A 188 54.781 8.964 57.965 0.43 48.73 H new ATOM 0 HZ1 LYS A 188 54.421 8.245 60.048 0.43 48.42 H new ATOM 0 HZ2 LYS A 188 53.226 9.018 59.757 0.43 48.42 H new ATOM 0 HZ3 LYS A 188 53.182 7.567 59.704 0.43 48.42 H new ATOM 2561 N ASP A 189 50.445 12.790 54.417 1.00 45.47 N ATOM 2562 CA ASP A 189 49.091 13.457 54.254 1.00 44.09 C ATOM 2563 C ASP A 189 49.054 14.084 52.856 1.00 44.08 C ATOM 2564 O ASP A 189 50.075 14.152 52.175 1.00 39.68 O ATOM 2565 CB ASP A 189 48.924 14.620 55.351 1.00 42.63 C ATOM 2566 CG ASP A 189 47.628 15.500 55.362 1.00 40.05 C ATOM 2567 OD1 ASP A 189 47.739 16.638 55.775 1.00 35.90 O ATOM 2568 OD2 ASP A 189 46.585 15.020 54.983 1.00 39.54 O ATOM 0 H ASP A 189 50.959 12.855 53.731 1.00 45.47 H new ATOM 0 HA ASP A 189 48.378 12.810 54.368 1.00 44.09 H new ATOM 0 HB2 ASP A 189 49.000 14.206 56.225 1.00 42.63 H new ATOM 0 HB3 ASP A 189 49.680 15.220 55.254 1.00 42.63 H new ATOM 2573 N SER A 190 47.863 14.522 52.501 1.00 43.53 N ATOM 2574 CA SER A 190 47.652 15.181 51.195 1.00 43.76 C ATOM 2575 C SER A 190 48.151 16.641 51.481 1.00 43.97 C ATOM 2576 O SER A 190 48.404 16.968 52.633 1.00 42.57 O ATOM 2577 CB SER A 190 46.111 15.100 50.799 1.00 38.56 C ATOM 2578 OG SER A 190 45.344 15.170 51.997 1.00 41.07 O ATOM 0 H SER A 190 47.157 14.455 52.988 1.00 43.53 H new ATOM 0 HA SER A 190 48.118 14.782 50.443 1.00 43.76 H new ATOM 0 HB2 SER A 190 45.875 15.828 50.203 1.00 38.56 H new ATOM 0 HB3 SER A 190 45.926 14.274 50.325 1.00 38.56 H new ATOM 0 HG SER A 190 44.989 14.424 52.147 1.00 41.07 H new ATOM 2584 N CYS A 191 48.268 17.468 50.470 1.00 43.87 N ATOM 2585 CA CYS A 191 48.758 18.858 50.694 1.00 44.09 C ATOM 2586 C CYS A 191 48.292 19.754 49.535 1.00 39.56 C ATOM 2587 O CYS A 191 47.611 19.275 48.632 1.00 36.56 O ATOM 2588 CB CYS A 191 50.324 18.792 50.788 1.00 48.11 C ATOM 2589 SG CYS A 191 51.187 20.157 51.593 1.00 49.16 S ATOM 0 H CYS A 191 48.080 17.274 49.654 1.00 43.87 H new ATOM 0 HA CYS A 191 48.403 19.238 51.513 1.00 44.09 H new ATOM 0 HB2 CYS A 191 50.559 17.976 51.256 1.00 48.11 H new ATOM 0 HB3 CYS A 191 50.672 18.712 49.886 1.00 48.11 H new ATOM 2594 N GLN A 192 48.704 20.996 49.623 1.00 36.91 N ATOM 2595 CA GLN A 192 48.345 22.021 48.588 1.00 38.50 C ATOM 2596 C GLN A 192 48.703 21.426 47.228 1.00 36.53 C ATOM 2597 O GLN A 192 49.730 20.776 47.084 1.00 32.47 O ATOM 2598 CB AGLN A 192 49.183 23.367 48.622 0.30 39.14 C ATOM 2599 CB BGLN A 192 49.131 23.344 48.867 0.30 37.06 C ATOM 2600 CG AGLN A 192 49.859 23.797 49.953 0.30 39.18 C ATOM 2601 CG BGLN A 192 48.514 24.501 48.041 0.30 36.99 C ATOM 2602 CD AGLN A 192 48.853 24.290 50.978 0.30 39.46 C ATOM 2603 CD BGLN A 192 48.846 25.830 48.728 0.30 35.91 C ATOM 2604 OE1AGLN A 192 47.874 24.920 50.642 0.30 40.98 O ATOM 2605 OE1BGLN A 192 48.128 26.291 49.596 0.30 36.42 O ATOM 2606 NE2AGLN A 192 49.033 24.051 52.239 0.30 38.88 N ATOM 2607 NE2BGLN A 192 49.914 26.472 48.379 0.30 35.86 N ATOM 0 H GLN A 192 49.194 21.295 50.264 1.00 36.91 H new ATOM 0 HA GLN A 192 47.412 22.230 48.755 1.00 38.50 H new ATOM 0 HB2AGLN A 192 49.878 23.297 47.949 0.30 37.06 H new ATOM 0 HB2BGLN A 192 49.098 23.557 49.813 0.30 37.06 H new ATOM 0 HB3AGLN A 192 48.594 24.086 48.347 0.30 37.06 H new ATOM 0 HB3BGLN A 192 50.066 23.231 48.634 0.30 37.06 H new ATOM 0 HG2AGLN A 192 50.351 23.046 50.321 0.30 36.99 H new ATOM 0 HG2BGLN A 192 48.866 24.493 47.137 0.30 36.99 H new ATOM 0 HG3AGLN A 192 50.505 24.498 49.773 0.30 36.99 H new ATOM 0 HG3BGLN A 192 47.553 24.389 47.972 0.30 36.99 H new ATOM 0 HE21AGLN A 192 49.721 23.606 52.498 0.30 35.86 H new ATOM 0 HE21BGLN A 192 50.427 26.153 47.767 0.30 35.86 H new ATOM 0 HE22AGLN A 192 48.464 24.338 52.817 0.30 35.86 H new ATOM 0 HE22BGLN A 192 50.111 27.218 48.760 0.30 35.86 H new ATOM 2622 N GLY A 193 47.858 21.679 46.277 1.00 35.55 N ATOM 2623 CA GLY A 193 48.108 21.148 44.923 1.00 36.89 C ATOM 2624 C GLY A 193 47.269 19.914 44.745 1.00 36.87 C ATOM 2625 O GLY A 193 46.433 19.910 43.884 1.00 43.50 O ATOM 0 H GLY A 193 47.140 22.144 46.365 1.00 35.55 H new ATOM 0 HA2 GLY A 193 47.882 21.811 44.252 1.00 36.89 H new ATOM 0 HA3 GLY A 193 49.048 20.938 44.809 1.00 36.89 H new ATOM 2629 N ASP A 194 47.460 18.947 45.603 1.00 34.17 N ATOM 2630 CA ASP A 194 46.666 17.673 45.479 1.00 32.52 C ATOM 2631 C ASP A 194 45.127 17.823 45.519 1.00 30.84 C ATOM 2632 O ASP A 194 44.429 16.845 45.343 1.00 24.57 O ATOM 2633 CB ASP A 194 47.029 16.659 46.600 1.00 32.64 C ATOM 2634 CG ASP A 194 48.553 16.485 46.767 1.00 30.76 C ATOM 2635 OD1 ASP A 194 49.059 16.716 47.847 1.00 30.72 O ATOM 2636 OD2 ASP A 194 49.155 16.117 45.788 1.00 32.77 O ATOM 0 H ASP A 194 48.018 18.971 46.257 1.00 34.17 H new ATOM 0 HA ASP A 194 46.916 17.363 44.594 1.00 32.52 H new ATOM 0 HB2 ASP A 194 46.647 16.959 47.440 1.00 32.64 H new ATOM 0 HB3 ASP A 194 46.628 15.799 46.397 1.00 32.64 H new ATOM 2641 N SER A 195 44.634 19.021 45.779 1.00 30.60 N ATOM 2642 CA SER A 195 43.136 19.287 45.854 1.00 25.17 C ATOM 2643 C SER A 195 42.412 18.774 44.628 1.00 16.64 C ATOM 2644 O SER A 195 42.912 18.990 43.547 1.00 6.68 O ATOM 2645 CB SER A 195 42.789 20.766 45.883 1.00 24.47 C ATOM 2646 OG SER A 195 43.592 21.351 46.886 1.00 31.12 O ATOM 0 H SER A 195 45.121 19.716 45.920 1.00 30.60 H new ATOM 0 HA SER A 195 42.867 18.840 46.672 1.00 25.17 H new ATOM 0 HB2 SER A 195 42.960 21.177 45.021 1.00 24.47 H new ATOM 0 HB3 SER A 195 41.847 20.895 46.077 1.00 24.47 H new ATOM 2651 N GLY A 196 41.284 18.136 44.797 1.00 10.62 N ATOM 2652 CA GLY A 196 40.565 17.629 43.604 1.00 9.81 C ATOM 2653 C GLY A 196 40.917 16.185 43.274 1.00 13.41 C ATOM 2654 O GLY A 196 40.158 15.513 42.592 1.00 14.86 O ATOM 0 H GLY A 196 40.909 17.978 45.555 1.00 10.62 H new ATOM 0 HA2 GLY A 196 39.609 17.699 43.754 1.00 9.81 H new ATOM 0 HA3 GLY A 196 40.775 18.191 42.842 1.00 9.81 H new ATOM 2658 N GLY A 197 42.045 15.747 43.756 1.00 14.28 N ATOM 2659 CA GLY A 197 42.506 14.353 43.501 1.00 15.34 C ATOM 2660 C GLY A 197 41.798 13.224 44.197 1.00 14.57 C ATOM 2661 O GLY A 197 41.092 13.436 45.172 1.00 13.58 O ATOM 0 H GLY A 197 42.580 16.218 44.237 1.00 14.28 H new ATOM 0 HA2 GLY A 197 42.448 14.193 42.546 1.00 15.34 H new ATOM 0 HA3 GLY A 197 43.445 14.304 43.740 1.00 15.34 H new ATOM 2665 N PRO A 198 42.017 12.041 43.678 1.00 12.82 N ATOM 2666 CA PRO A 198 41.354 10.840 44.180 1.00 9.89 C ATOM 2667 C PRO A 198 41.859 10.196 45.480 1.00 11.96 C ATOM 2668 O PRO A 198 43.007 10.327 45.871 1.00 13.73 O ATOM 2669 CB PRO A 198 41.456 9.888 43.032 1.00 10.20 C ATOM 2670 CG PRO A 198 42.781 10.251 42.318 1.00 8.56 C ATOM 2671 CD PRO A 198 42.921 11.750 42.517 1.00 9.84 C ATOM 0 HA PRO A 198 40.458 11.086 44.459 1.00 9.89 H new ATOM 0 HB2 PRO A 198 41.465 8.968 43.340 1.00 10.20 H new ATOM 0 HB3 PRO A 198 40.699 9.980 42.433 1.00 10.20 H new ATOM 0 HG2 PRO A 198 43.532 9.772 42.702 1.00 8.56 H new ATOM 0 HG3 PRO A 198 42.749 10.021 41.376 1.00 8.56 H new ATOM 0 HD2 PRO A 198 43.839 12.000 42.709 1.00 9.84 H new ATOM 0 HD3 PRO A 198 42.653 12.241 41.725 1.00 9.84 H new ATOM 2679 N VAL A 199 40.911 9.513 46.071 1.00 13.44 N ATOM 2680 CA VAL A 199 41.078 8.737 47.340 1.00 13.74 C ATOM 2681 C VAL A 199 40.278 7.508 46.855 1.00 11.07 C ATOM 2682 O VAL A 199 39.063 7.586 46.699 1.00 4.41 O ATOM 2683 CB VAL A 199 40.379 9.388 48.514 1.00 14.29 C ATOM 2684 CG1 VAL A 199 40.476 8.444 49.736 1.00 15.37 C ATOM 2685 CG2 VAL A 199 41.090 10.705 48.854 1.00 11.45 C ATOM 0 H VAL A 199 40.112 9.469 45.755 1.00 13.44 H new ATOM 0 HA VAL A 199 41.985 8.610 47.661 1.00 13.74 H new ATOM 0 HB VAL A 199 39.450 9.559 48.292 1.00 14.29 H new ATOM 0 HG11 VAL A 199 40.031 8.851 50.496 1.00 15.37 H new ATOM 0 HG12 VAL A 199 40.049 7.598 49.527 1.00 15.37 H new ATOM 0 HG13 VAL A 199 41.409 8.290 49.953 1.00 15.37 H new ATOM 0 HG21 VAL A 199 40.647 11.128 49.606 1.00 11.45 H new ATOM 0 HG22 VAL A 199 42.015 10.524 49.085 1.00 11.45 H new ATOM 0 HG23 VAL A 199 41.059 11.297 48.086 1.00 11.45 H new ATOM 2695 N VAL A 200 40.992 6.440 46.625 1.00 7.58 N ATOM 2696 CA VAL A 200 40.377 5.212 46.146 1.00 7.41 C ATOM 2697 C VAL A 200 40.603 4.180 47.148 1.00 4.53 C ATOM 2698 O VAL A 200 41.727 3.988 47.574 1.00 7.08 O ATOM 2699 CB VAL A 200 41.039 4.859 44.776 1.00 10.12 C ATOM 2700 CG1 VAL A 200 40.558 3.501 44.214 1.00 13.10 C ATOM 2701 CG2 VAL A 200 40.682 5.944 43.700 1.00 9.65 C ATOM 0 H VAL A 200 41.843 6.394 46.738 1.00 7.58 H new ATOM 0 HA VAL A 200 39.420 5.298 46.012 1.00 7.41 H new ATOM 0 HB VAL A 200 41.993 4.820 44.947 1.00 10.12 H new ATOM 0 HG11 VAL A 200 40.996 3.328 43.366 1.00 13.10 H new ATOM 0 HG12 VAL A 200 40.778 2.795 44.841 1.00 13.10 H new ATOM 0 HG13 VAL A 200 39.597 3.527 44.082 1.00 13.10 H new ATOM 0 HG21 VAL A 200 41.099 5.712 42.856 1.00 9.65 H new ATOM 0 HG22 VAL A 200 39.720 5.982 43.585 1.00 9.65 H new ATOM 0 HG23 VAL A 200 41.006 6.810 43.993 1.00 9.65 H new ATOM 2711 N CYS A 201 39.525 3.536 47.470 1.00 10.09 N ATOM 2712 CA CYS A 201 39.517 2.428 48.484 1.00 16.78 C ATOM 2713 C CYS A 201 38.781 1.259 47.834 1.00 15.21 C ATOM 2714 O CYS A 201 37.699 1.432 47.307 1.00 11.63 O ATOM 2715 CB CYS A 201 38.783 2.884 49.744 1.00 18.23 C ATOM 2716 SG CYS A 201 39.065 4.621 50.183 1.00 20.19 S ATOM 0 H CYS A 201 38.754 3.701 47.127 1.00 10.09 H new ATOM 0 HA CYS A 201 40.416 2.174 48.744 1.00 16.78 H new ATOM 0 HB2 CYS A 201 37.831 2.743 49.620 1.00 18.23 H new ATOM 0 HB3 CYS A 201 39.059 2.324 50.487 1.00 18.23 H new ATOM 2721 N SER A 202 39.407 0.128 47.909 1.00 19.96 N ATOM 2722 CA SER A 202 38.878 -1.143 47.342 1.00 19.84 C ATOM 2723 C SER A 202 38.386 -0.995 45.947 1.00 17.19 C ATOM 2724 O SER A 202 37.349 -1.508 45.586 1.00 16.51 O ATOM 2725 CB SER A 202 37.735 -1.654 48.208 1.00 23.42 C ATOM 2726 OG SER A 202 38.303 -1.807 49.507 1.00 26.17 O ATOM 0 H SER A 202 40.171 0.041 48.293 1.00 19.96 H new ATOM 0 HA SER A 202 39.617 -1.771 47.331 1.00 19.84 H new ATOM 0 HB2 SER A 202 36.994 -1.028 48.219 1.00 23.42 H new ATOM 0 HB3 SER A 202 37.389 -2.496 47.873 1.00 23.42 H new ATOM 0 HG SER A 202 37.716 -2.088 50.038 1.00 26.17 H new ATOM 2732 N GLY A 203 39.165 -0.270 45.211 1.00 18.11 N ATOM 2733 CA GLY A 203 38.838 -0.033 43.788 1.00 15.90 C ATOM 2734 C GLY A 203 37.683 0.935 43.507 1.00 17.08 C ATOM 2735 O GLY A 203 37.213 0.968 42.373 1.00 19.08 O ATOM 0 H GLY A 203 39.889 0.104 45.486 1.00 18.11 H new ATOM 0 HA2 GLY A 203 39.632 0.305 43.346 1.00 15.90 H new ATOM 0 HA3 GLY A 203 38.626 -0.886 43.378 1.00 15.90 H new ATOM 2739 N LYS A 204 37.243 1.687 44.491 1.00 16.28 N ATOM 2740 CA LYS A 204 36.117 2.634 44.213 1.00 17.84 C ATOM 2741 C LYS A 204 36.600 4.038 44.580 1.00 18.64 C ATOM 2742 O LYS A 204 37.437 4.186 45.457 1.00 11.85 O ATOM 2743 CB LYS A 204 34.864 2.378 45.101 1.00 23.43 C ATOM 2744 CG LYS A 204 34.261 0.981 44.985 1.00 26.34 C ATOM 2745 CD LYS A 204 33.869 0.683 43.515 1.00 29.18 C ATOM 2746 CE LYS A 204 33.141 -0.701 43.449 1.00 31.46 C ATOM 2747 NZ LYS A 204 33.093 -1.183 42.040 0.10 30.43 N ATOM 0 H LYS A 204 37.546 1.687 45.296 1.00 16.28 H new ATOM 0 HA LYS A 204 35.871 2.521 43.282 1.00 17.84 H new ATOM 0 HB2 LYS A 204 35.104 2.535 46.028 1.00 23.43 H new ATOM 0 HB3 LYS A 204 34.183 3.029 44.870 1.00 23.43 H new ATOM 0 HG2 LYS A 204 34.899 0.320 45.296 1.00 26.34 H new ATOM 0 HG3 LYS A 204 33.479 0.911 45.555 1.00 26.34 H new ATOM 0 HD2 LYS A 204 33.289 1.382 43.175 1.00 29.18 H new ATOM 0 HD3 LYS A 204 34.660 0.672 42.953 1.00 29.18 H new ATOM 0 HE2 LYS A 204 33.606 -1.346 44.004 1.00 31.46 H new ATOM 0 HE3 LYS A 204 32.241 -0.619 43.802 1.00 31.46 H new ATOM 0 HZ1 LYS A 204 32.678 -1.970 42.009 0.10 30.43 H new ATOM 0 HZ2 LYS A 204 32.650 -0.595 41.540 0.10 30.43 H new ATOM 0 HZ3 LYS A 204 33.922 -1.273 41.728 0.10 30.43 H new ATOM 2761 N LEU A 209 36.028 5.013 43.923 1.00 17.51 N ATOM 2762 CA LEU A 209 36.390 6.433 44.180 1.00 14.80 C ATOM 2763 C LEU A 209 35.521 6.800 45.398 1.00 11.88 C ATOM 2764 O LEU A 209 34.324 6.982 45.311 1.00 12.36 O ATOM 2765 CB LEU A 209 36.024 7.270 42.955 1.00 15.20 C ATOM 2766 CG LEU A 209 36.344 8.762 43.276 1.00 15.81 C ATOM 2767 CD1 LEU A 209 37.850 9.008 43.469 1.00 18.09 C ATOM 2768 CD2 LEU A 209 35.847 9.654 42.138 1.00 17.35 C ATOM 0 H LEU A 209 35.425 4.901 43.320 1.00 17.51 H new ATOM 0 HA LEU A 209 37.334 6.585 44.346 1.00 14.80 H new ATOM 0 HB2 LEU A 209 36.527 6.975 42.180 1.00 15.20 H new ATOM 0 HB3 LEU A 209 35.084 7.164 42.740 1.00 15.20 H new ATOM 0 HG LEU A 209 35.892 8.977 44.107 1.00 15.81 H new ATOM 0 HD11 LEU A 209 38.002 9.945 43.666 1.00 18.09 H new ATOM 0 HD12 LEU A 209 38.175 8.466 44.205 1.00 18.09 H new ATOM 0 HD13 LEU A 209 38.324 8.767 42.658 1.00 18.09 H new ATOM 0 HD21 LEU A 209 36.048 10.581 42.342 1.00 17.35 H new ATOM 0 HD22 LEU A 209 36.289 9.402 41.312 1.00 17.35 H new ATOM 0 HD23 LEU A 209 34.888 9.546 42.037 1.00 17.35 H new ATOM 2780 N GLN A 210 36.145 6.886 46.531 1.00 14.49 N ATOM 2781 CA GLN A 210 35.406 7.227 47.767 1.00 11.29 C ATOM 2782 C GLN A 210 35.686 8.639 48.245 1.00 12.12 C ATOM 2783 O GLN A 210 34.870 9.174 48.981 1.00 11.13 O ATOM 2784 CB GLN A 210 35.802 6.303 48.894 1.00 13.20 C ATOM 2785 CG GLN A 210 35.490 4.851 48.592 1.00 16.88 C ATOM 2786 CD GLN A 210 34.040 4.528 48.960 1.00 18.85 C ATOM 2787 OE1 GLN A 210 33.145 5.430 49.171 1.00 24.22 O flip ATOM 2788 NE2 GLN A 210 33.699 3.372 49.057 1.00 21.33 N flip ATOM 0 H GLN A 210 36.989 6.757 46.635 1.00 14.49 H new ATOM 0 HA GLN A 210 34.466 7.139 47.542 1.00 11.29 H new ATOM 0 HB2 GLN A 210 36.752 6.397 49.067 1.00 13.20 H new ATOM 0 HB3 GLN A 210 35.339 6.569 49.704 1.00 13.20 H new ATOM 0 HG2 GLN A 210 35.638 4.672 47.650 1.00 16.88 H new ATOM 0 HG3 GLN A 210 36.092 4.275 49.089 1.00 16.88 H new ATOM 0 HE21 GLN A 210 34.270 2.743 48.923 1.00 21.33 H new ATOM 0 HE22 GLN A 210 32.886 3.179 49.260 1.00 21.33 H new ATOM 2797 N GLY A 211 36.787 9.212 47.869 1.00 10.04 N ATOM 2798 CA GLY A 211 37.047 10.591 48.349 1.00 11.20 C ATOM 2799 C GLY A 211 37.719 11.477 47.321 1.00 11.74 C ATOM 2800 O GLY A 211 38.216 10.991 46.330 1.00 7.33 O ATOM 0 H GLY A 211 37.389 8.866 47.362 1.00 10.04 H new ATOM 0 HA2 GLY A 211 36.207 10.997 48.614 1.00 11.20 H new ATOM 0 HA3 GLY A 211 37.604 10.549 49.142 1.00 11.20 H new ATOM 2804 N ILE A 212 37.679 12.747 47.618 1.00 10.37 N ATOM 2805 CA ILE A 212 38.280 13.816 46.787 1.00 10.45 C ATOM 2806 C ILE A 212 39.139 14.657 47.791 1.00 6.04 C ATOM 2807 O ILE A 212 38.658 15.016 48.849 1.00 9.48 O ATOM 2808 CB ILE A 212 37.150 14.656 46.172 1.00 16.00 C ATOM 2809 CG1 ILE A 212 36.223 13.779 45.279 1.00 14.44 C ATOM 2810 CG2 ILE A 212 37.747 15.811 45.302 1.00 20.96 C ATOM 2811 CD1 ILE A 212 35.001 14.628 44.822 1.00 11.49 C ATOM 0 H ILE A 212 37.294 13.045 48.327 1.00 10.37 H new ATOM 0 HA ILE A 212 38.822 13.485 46.054 1.00 10.45 H new ATOM 0 HB ILE A 212 36.628 15.027 46.901 1.00 16.00 H new ATOM 0 HG12 ILE A 212 36.712 13.455 44.507 1.00 14.44 H new ATOM 0 HG13 ILE A 212 35.923 13.000 45.773 1.00 14.44 H new ATOM 0 HG21 ILE A 212 37.025 16.334 44.919 1.00 20.96 H new ATOM 0 HG22 ILE A 212 38.300 16.382 45.858 1.00 20.96 H new ATOM 0 HG23 ILE A 212 38.286 15.434 44.589 1.00 20.96 H new ATOM 0 HD11 ILE A 212 34.420 14.086 44.265 1.00 11.49 H new ATOM 0 HD12 ILE A 212 34.509 14.933 45.601 1.00 11.49 H new ATOM 0 HD13 ILE A 212 35.311 15.395 44.315 1.00 11.49 H new ATOM 2823 N VAL A 213 40.360 14.969 47.485 1.00 8.14 N ATOM 2824 CA VAL A 213 41.188 15.778 48.429 1.00 8.50 C ATOM 2825 C VAL A 213 40.470 17.141 48.553 1.00 11.55 C ATOM 2826 O VAL A 213 40.200 17.822 47.566 1.00 8.18 O ATOM 2827 CB VAL A 213 42.605 15.932 47.832 1.00 9.20 C ATOM 2828 CG1 VAL A 213 43.499 16.724 48.757 1.00 11.01 C ATOM 2829 CG2 VAL A 213 43.286 14.560 47.648 1.00 7.76 C ATOM 0 H VAL A 213 40.755 14.743 46.755 1.00 8.14 H new ATOM 0 HA VAL A 213 41.283 15.368 49.303 1.00 8.50 H new ATOM 0 HB VAL A 213 42.492 16.382 46.980 1.00 9.20 H new ATOM 0 HG11 VAL A 213 44.381 16.807 48.362 1.00 11.01 H new ATOM 0 HG12 VAL A 213 43.122 17.607 48.894 1.00 11.01 H new ATOM 0 HG13 VAL A 213 43.569 16.267 49.610 1.00 11.01 H new ATOM 0 HG21 VAL A 213 44.172 14.686 47.273 1.00 7.76 H new ATOM 0 HG22 VAL A 213 43.360 14.117 48.508 1.00 7.76 H new ATOM 0 HG23 VAL A 213 42.756 14.013 47.048 1.00 7.76 H new ATOM 2839 N SER A 214 40.181 17.533 49.760 1.00 6.64 N ATOM 2840 CA SER A 214 39.486 18.797 49.937 1.00 6.96 C ATOM 2841 C SER A 214 40.241 19.774 50.865 1.00 13.25 C ATOM 2842 O SER A 214 40.544 20.853 50.400 1.00 10.79 O ATOM 2843 CB SER A 214 38.082 18.364 50.416 1.00 2.00 C ATOM 2844 OG SER A 214 37.311 19.529 50.693 1.00 9.78 O ATOM 0 H SER A 214 40.367 17.104 50.482 1.00 6.64 H new ATOM 0 HA SER A 214 39.426 19.328 49.127 1.00 6.96 H new ATOM 0 HB2 SER A 214 37.646 17.827 49.736 1.00 2.00 H new ATOM 0 HB3 SER A 214 38.154 17.812 51.211 1.00 2.00 H new ATOM 0 HG SER A 214 37.141 19.930 49.975 1.00 9.78 H new ATOM 2850 N TRP A 215 40.513 19.448 52.105 1.00 16.13 N ATOM 2851 CA TRP A 215 41.247 20.434 52.950 1.00 15.78 C ATOM 2852 C TRP A 215 41.975 19.765 54.099 1.00 15.14 C ATOM 2853 O TRP A 215 41.943 18.562 54.195 1.00 12.97 O ATOM 2854 CB TRP A 215 40.239 21.530 53.509 1.00 14.12 C ATOM 2855 CG TRP A 215 39.026 21.033 54.315 1.00 16.01 C ATOM 2856 CD1 TRP A 215 37.902 20.450 53.786 1.00 18.88 C ATOM 2857 CD2 TRP A 215 38.894 21.105 55.663 1.00 12.24 C ATOM 2858 NE1 TRP A 215 37.165 20.202 54.843 1.00 16.38 N ATOM 2859 CE2 TRP A 215 37.660 20.550 56.021 1.00 16.20 C ATOM 2860 CE3 TRP A 215 39.715 21.598 56.654 1.00 11.66 C ATOM 2861 CZ2 TRP A 215 37.256 20.492 57.355 1.00 14.14 C ATOM 2862 CZ3 TRP A 215 39.319 21.533 57.996 1.00 13.86 C ATOM 2863 CH2 TRP A 215 38.095 20.986 58.355 1.00 14.67 C ATOM 0 H TRP A 215 40.305 18.706 52.486 1.00 16.13 H new ATOM 0 HA TRP A 215 41.914 20.861 52.389 1.00 15.78 H new ATOM 0 HB2 TRP A 215 40.742 22.141 54.070 1.00 14.12 H new ATOM 0 HB3 TRP A 215 39.908 22.044 52.756 1.00 14.12 H new ATOM 0 HD1 TRP A 215 37.709 20.273 52.894 1.00 18.88 H new ATOM 0 HE1 TRP A 215 36.393 19.829 54.774 1.00 16.38 H new ATOM 0 HE3 TRP A 215 40.535 21.975 56.431 1.00 11.66 H new ATOM 0 HZ2 TRP A 215 36.431 20.126 57.577 1.00 14.14 H new ATOM 0 HZ3 TRP A 215 39.885 21.861 58.657 1.00 13.86 H new ATOM 0 HH2 TRP A 215 37.838 20.949 59.248 1.00 14.67 H new ATOM 2874 N GLY A 216 42.623 20.515 54.930 1.00 22.51 N ATOM 2875 CA GLY A 216 43.363 19.939 56.083 1.00 26.31 C ATOM 2876 C GLY A 216 43.977 21.124 56.855 1.00 30.71 C ATOM 2877 O GLY A 216 43.740 22.259 56.467 1.00 37.06 O ATOM 0 H GLY A 216 42.667 21.372 54.871 1.00 22.51 H new ATOM 0 HA2 GLY A 216 42.768 19.428 56.653 1.00 26.31 H new ATOM 0 HA3 GLY A 216 44.055 19.331 55.779 1.00 26.31 H new ATOM 2881 N SER A 217 44.728 20.874 57.896 1.00 35.49 N ATOM 2882 CA SER A 217 45.373 21.971 58.717 1.00 39.05 C ATOM 2883 C SER A 217 46.822 21.831 58.308 1.00 40.07 C ATOM 2884 O SER A 217 47.504 20.929 58.776 1.00 38.45 O ATOM 2885 CB SER A 217 45.210 21.701 60.253 1.00 38.66 C ATOM 2886 OG SER A 217 45.736 22.809 60.986 0.08 37.82 O ATOM 0 H SER A 217 44.901 20.080 58.177 1.00 35.49 H new ATOM 0 HA SER A 217 44.992 22.851 58.569 1.00 39.05 H new ATOM 0 HB2 SER A 217 44.274 21.570 60.471 1.00 38.66 H new ATOM 0 HB3 SER A 217 45.675 20.886 60.500 1.00 38.66 H new ATOM 0 HG SER A 217 45.649 22.667 61.809 0.08 37.82 H new ATOM 2892 N GLY A 219 47.235 22.717 57.441 1.00 42.87 N ATOM 2893 CA GLY A 219 48.653 22.644 56.973 1.00 46.93 C ATOM 2894 C GLY A 219 48.734 21.252 56.333 1.00 47.48 C ATOM 2895 O GLY A 219 47.766 20.835 55.710 1.00 51.15 O ATOM 0 H GLY A 219 46.760 23.351 57.107 1.00 42.87 H new ATOM 0 HA2 GLY A 219 48.857 23.345 56.335 1.00 46.93 H new ATOM 0 HA3 GLY A 219 49.279 22.738 57.708 1.00 46.93 H new ATOM 2899 N CYS A 220 49.828 20.571 56.474 1.00 46.09 N ATOM 2900 CA CYS A 220 49.922 19.221 55.874 1.00 45.93 C ATOM 2901 C CYS A 220 50.622 18.403 56.935 1.00 43.40 C ATOM 2902 O CYS A 220 51.337 18.928 57.757 1.00 41.69 O ATOM 2903 CB CYS A 220 50.737 19.305 54.524 1.00 48.72 C ATOM 2904 SG CYS A 220 50.048 20.391 53.241 1.00 49.92 S ATOM 0 H CYS A 220 50.527 20.838 56.897 1.00 46.09 H new ATOM 0 HA CYS A 220 49.068 18.826 55.639 1.00 45.93 H new ATOM 0 HB2 CYS A 220 51.636 19.606 54.728 1.00 48.72 H new ATOM 0 HB3 CYS A 220 50.814 18.410 54.158 1.00 48.72 H new ATOM 2909 N ALA A 221A 50.404 17.126 56.860 0.50 43.88 N ATOM 2910 CA ALA A 221A 50.963 16.081 57.789 0.50 43.83 C ATOM 2911 C ALA A 221A 51.341 16.485 59.246 0.50 43.73 C ATOM 2912 O ALA A 221A 52.309 15.952 59.759 0.50 43.92 O ATOM 2913 CB ALA A 221A 52.211 15.454 57.086 0.50 42.70 C ATOM 0 H ALA A 221A 49.905 16.787 56.247 0.50 43.88 H new ATOM 0 HA ALA A 221A 50.223 15.471 57.935 0.50 43.83 H new ATOM 0 HB1 ALA A 221A 52.598 14.774 57.659 0.50 42.70 H new ATOM 0 HB2 ALA A 221A 51.941 15.053 56.245 0.50 42.70 H new ATOM 0 HB3 ALA A 221A 52.869 16.146 56.917 0.50 42.70 H new ATOM 2919 N GLN A 221 50.606 17.367 59.881 1.00 45.14 N ATOM 2920 CA GLN A 221 50.951 17.761 61.299 1.00 41.81 C ATOM 2921 C GLN A 221 50.319 16.698 62.197 1.00 44.11 C ATOM 2922 O GLN A 221 49.421 15.984 61.789 1.00 47.14 O ATOM 2923 CB GLN A 221 50.334 19.115 61.735 1.00 39.06 C ATOM 2924 CG GLN A 221 50.961 20.300 60.993 1.00 42.06 C ATOM 2925 CD GLN A 221 52.449 20.424 61.366 0.06 42.05 C ATOM 2926 OE1 GLN A 221 52.789 20.644 62.517 0.06 41.16 O ATOM 2927 NE2 GLN A 221 53.368 20.289 60.458 0.06 43.06 N ATOM 0 H GLN A 221 49.916 17.759 59.550 1.00 45.14 H new ATOM 0 HA GLN A 221 51.916 17.838 61.363 1.00 41.81 H new ATOM 0 HB2 GLN A 221 49.378 19.101 61.571 1.00 39.06 H new ATOM 0 HB3 GLN A 221 50.456 19.232 62.690 1.00 39.06 H new ATOM 0 HG2 GLN A 221 50.869 20.177 60.035 1.00 42.06 H new ATOM 0 HG3 GLN A 221 50.493 21.119 61.221 1.00 42.06 H new ATOM 0 HE21 GLN A 221 53.146 20.134 59.642 0.06 43.06 H new ATOM 0 HE22 GLN A 221 54.198 20.355 60.673 0.06 43.06 H new ATOM 2936 N LYS A 222 50.799 16.632 63.404 1.00 45.10 N ATOM 2937 CA LYS A 222 50.270 15.635 64.376 0.58 44.48 C ATOM 2938 C LYS A 222 48.826 16.095 64.683 1.00 45.19 C ATOM 2939 O LYS A 222 48.580 17.275 64.841 1.00 45.72 O ATOM 2940 CB LYS A 222 51.212 15.681 65.607 0.58 44.47 C ATOM 2941 CG LYS A 222 50.847 14.701 66.746 0.58 44.66 C ATOM 2942 CD LYS A 222 51.890 14.958 67.879 0.58 45.30 C ATOM 2943 CE LYS A 222 51.620 14.121 69.156 0.58 46.29 C ATOM 2944 NZ LYS A 222 52.658 14.444 70.185 0.58 46.78 N ATOM 0 H LYS A 222 51.426 17.137 63.707 1.00 45.10 H new ATOM 0 HA LYS A 222 50.244 14.717 64.063 0.58 44.48 H new ATOM 0 HB2 LYS A 222 52.116 15.491 65.313 0.58 44.47 H new ATOM 0 HB3 LYS A 222 51.213 16.583 65.963 0.58 44.47 H new ATOM 0 HG2 LYS A 222 49.944 14.857 67.063 0.58 44.66 H new ATOM 0 HG3 LYS A 222 50.886 13.781 66.440 0.58 44.66 H new ATOM 0 HD2 LYS A 222 52.778 14.753 67.546 0.58 45.30 H new ATOM 0 HD3 LYS A 222 51.884 15.900 68.109 0.58 45.30 H new ATOM 0 HE2 LYS A 222 50.735 14.315 69.502 0.58 46.29 H new ATOM 0 HE3 LYS A 222 51.641 13.174 68.946 0.58 46.29 H new ATOM 0 HZ1 LYS A 222 52.507 13.965 70.920 0.58 46.78 H new ATOM 0 HZ2 LYS A 222 53.465 14.248 69.865 0.58 46.78 H new ATOM 0 HZ3 LYS A 222 52.620 15.311 70.383 0.58 46.78 H new ATOM 2958 N ASN A 223 47.939 15.148 64.756 0.47 41.72 N ATOM 2959 CA ASN A 223 46.486 15.338 65.039 0.47 39.17 C ATOM 2960 C ASN A 223 45.766 16.079 63.938 0.47 38.14 C ATOM 2961 O ASN A 223 44.619 16.444 64.116 0.47 37.35 O ATOM 2962 CB ASN A 223 46.236 16.123 66.378 0.47 41.34 C ATOM 2963 CG ASN A 223 46.235 15.159 67.570 0.47 43.05 C ATOM 2964 OD1 ASN A 223 45.650 14.096 67.512 0.47 43.17 O ATOM 2965 ND2 ASN A 223 46.856 15.457 68.674 0.47 44.00 N ATOM 0 H ASN A 223 48.146 14.321 64.641 0.47 41.72 H new ATOM 0 HA ASN A 223 46.133 14.437 65.109 0.47 39.17 H new ATOM 0 HB2 ASN A 223 46.924 16.796 66.499 0.47 41.34 H new ATOM 0 HB3 ASN A 223 45.387 16.591 66.332 0.47 41.34 H new ATOM 0 HD21 ASN A 223 46.844 14.908 69.336 0.47 44.00 H new ATOM 0 HD22 ASN A 223 47.278 16.203 68.742 0.47 44.00 H new ATOM 2972 N LYS A 224 46.402 16.307 62.822 1.00 36.04 N ATOM 2973 CA LYS A 224 45.708 17.034 61.711 1.00 33.25 C ATOM 2974 C LYS A 224 45.751 16.190 60.434 1.00 28.41 C ATOM 2975 O LYS A 224 46.621 16.397 59.605 1.00 27.22 O ATOM 2976 CB LYS A 224 46.386 18.383 61.478 1.00 34.46 C ATOM 2977 CG LYS A 224 46.230 19.254 62.755 1.00 38.77 C ATOM 2978 CD LYS A 224 44.751 19.580 63.087 1.00 41.57 C ATOM 2979 CE LYS A 224 44.676 20.169 64.493 1.00 44.56 C ATOM 2980 NZ LYS A 224 43.300 20.677 64.730 1.00 47.67 N ATOM 0 H LYS A 224 47.212 16.070 62.658 1.00 36.04 H new ATOM 0 HA LYS A 224 44.781 17.186 61.954 1.00 33.25 H new ATOM 0 HB2 LYS A 224 47.325 18.255 61.272 1.00 34.46 H new ATOM 0 HB3 LYS A 224 45.987 18.831 60.716 1.00 34.46 H new ATOM 0 HG2 LYS A 224 46.631 18.791 63.507 1.00 38.77 H new ATOM 0 HG3 LYS A 224 46.720 20.083 62.638 1.00 38.77 H new ATOM 0 HD2 LYS A 224 44.393 20.209 62.441 1.00 41.57 H new ATOM 0 HD3 LYS A 224 44.210 18.777 63.031 1.00 41.57 H new ATOM 0 HE2 LYS A 224 44.902 19.494 65.152 1.00 44.56 H new ATOM 0 HE3 LYS A 224 45.320 20.888 64.590 1.00 44.56 H new ATOM 0 HZ1 LYS A 224 43.248 21.022 65.549 1.00 47.67 H new ATOM 0 HZ2 LYS A 224 43.108 21.306 64.130 1.00 47.67 H new ATOM 0 HZ3 LYS A 224 42.719 20.007 64.653 1.00 47.67 H new ATOM 2994 N PRO A 225 44.816 15.263 60.317 1.00 25.24 N ATOM 2995 CA PRO A 225 44.656 14.440 59.082 1.00 21.80 C ATOM 2996 C PRO A 225 44.011 15.260 57.944 1.00 20.13 C ATOM 2997 O PRO A 225 43.524 16.360 58.145 1.00 21.67 O ATOM 2998 CB PRO A 225 43.812 13.253 59.542 1.00 22.02 C ATOM 2999 CG PRO A 225 42.887 13.896 60.611 1.00 22.35 C ATOM 3000 CD PRO A 225 43.798 14.885 61.360 1.00 23.24 C ATOM 0 HA PRO A 225 45.497 14.143 58.701 1.00 21.80 H new ATOM 0 HB2 PRO A 225 43.305 12.865 58.812 1.00 22.02 H new ATOM 0 HB3 PRO A 225 44.358 12.544 59.916 1.00 22.02 H new ATOM 0 HG2 PRO A 225 42.134 14.350 60.201 1.00 22.35 H new ATOM 0 HG3 PRO A 225 42.522 13.227 61.211 1.00 22.35 H new ATOM 0 HD2 PRO A 225 43.305 15.658 61.678 1.00 23.24 H new ATOM 0 HD3 PRO A 225 44.213 14.475 62.135 1.00 23.24 H new ATOM 3008 N GLY A 226 44.014 14.715 56.766 1.00 15.43 N ATOM 3009 CA GLY A 226 43.401 15.491 55.657 1.00 11.61 C ATOM 3010 C GLY A 226 41.902 15.189 55.720 1.00 9.11 C ATOM 3011 O GLY A 226 41.503 14.187 56.294 1.00 5.54 O ATOM 0 H GLY A 226 44.338 13.945 56.563 1.00 15.43 H new ATOM 0 HA2 GLY A 226 43.570 16.440 55.761 1.00 11.61 H new ATOM 0 HA3 GLY A 226 43.774 15.229 54.801 1.00 11.61 H new ATOM 3015 N VAL A 227 41.139 16.072 55.137 1.00 10.06 N ATOM 3016 CA VAL A 227 39.651 15.957 55.081 1.00 4.87 C ATOM 3017 C VAL A 227 39.349 15.779 53.587 1.00 8.59 C ATOM 3018 O VAL A 227 39.912 16.479 52.758 1.00 13.63 O ATOM 3019 CB VAL A 227 39.074 17.229 55.638 1.00 6.95 C ATOM 3020 CG1 VAL A 227 37.524 17.016 55.772 1.00 5.50 C ATOM 3021 CG2 VAL A 227 39.718 17.543 57.004 1.00 8.83 C ATOM 0 H VAL A 227 41.446 16.775 54.749 1.00 10.06 H new ATOM 0 HA VAL A 227 39.274 15.225 55.594 1.00 4.87 H new ATOM 0 HB VAL A 227 39.254 17.983 55.056 1.00 6.95 H new ATOM 0 HG11 VAL A 227 37.116 17.820 56.130 1.00 5.50 H new ATOM 0 HG12 VAL A 227 37.147 16.824 54.899 1.00 5.50 H new ATOM 0 HG13 VAL A 227 37.350 16.272 56.370 1.00 5.50 H new ATOM 0 HG21 VAL A 227 39.342 18.364 57.358 1.00 8.83 H new ATOM 0 HG22 VAL A 227 39.541 16.815 57.620 1.00 8.83 H new ATOM 0 HG23 VAL A 227 40.676 17.648 56.894 1.00 8.83 H new ATOM 3031 N TYR A 228 38.477 14.849 53.324 1.00 12.88 N ATOM 3032 CA TYR A 228 38.030 14.457 51.956 1.00 8.93 C ATOM 3033 C TYR A 228 36.529 14.540 51.737 1.00 8.36 C ATOM 3034 O TYR A 228 35.768 14.350 52.663 1.00 11.58 O ATOM 3035 CB TYR A 228 38.521 12.981 51.720 1.00 7.53 C ATOM 3036 CG TYR A 228 40.014 12.906 51.958 1.00 7.13 C ATOM 3037 CD1 TYR A 228 40.892 13.151 50.937 1.00 12.28 C ATOM 3038 CD2 TYR A 228 40.516 12.633 53.219 1.00 5.96 C ATOM 3039 CE1 TYR A 228 42.238 13.125 51.171 1.00 14.05 C ATOM 3040 CE2 TYR A 228 41.877 12.610 53.452 1.00 7.93 C ATOM 3041 CZ TYR A 228 42.752 12.857 52.426 1.00 11.12 C ATOM 3042 OH TYR A 228 44.117 12.835 52.646 1.00 16.17 O ATOM 0 H TYR A 228 38.095 14.391 53.943 1.00 12.88 H new ATOM 0 HA TYR A 228 38.412 15.086 51.324 1.00 8.93 H new ATOM 0 HB2 TYR A 228 38.057 12.375 52.319 1.00 7.53 H new ATOM 0 HB3 TYR A 228 38.313 12.701 50.815 1.00 7.53 H new ATOM 0 HD1 TYR A 228 40.572 13.335 50.083 1.00 12.28 H new ATOM 0 HD2 TYR A 228 39.928 12.463 53.919 1.00 5.96 H new ATOM 0 HE1 TYR A 228 42.823 13.292 50.468 1.00 14.05 H new ATOM 0 HE2 TYR A 228 42.200 12.427 54.305 1.00 7.93 H new ATOM 0 HH TYR A 228 44.270 12.580 53.432 1.00 16.17 H new ATOM 3052 N THR A 229 36.138 14.807 50.511 1.00 9.06 N ATOM 3053 CA THR A 229 34.707 14.890 50.188 1.00 10.36 C ATOM 3054 C THR A 229 34.296 13.411 50.181 1.00 8.34 C ATOM 3055 O THR A 229 34.971 12.600 49.583 1.00 9.82 O ATOM 3056 CB THR A 229 34.549 15.499 48.806 1.00 6.53 C ATOM 3057 OG1 THR A 229 35.109 16.810 48.904 1.00 10.75 O ATOM 3058 CG2 THR A 229 33.078 15.734 48.461 1.00 6.74 C ATOM 0 H THR A 229 36.669 14.944 49.848 1.00 9.06 H new ATOM 0 HA THR A 229 34.180 15.432 50.796 1.00 10.36 H new ATOM 0 HB THR A 229 34.956 14.914 48.148 1.00 6.53 H new ATOM 0 HG1 THR A 229 34.859 17.271 48.248 1.00 10.75 H new ATOM 0 HG21 THR A 229 33.011 16.123 47.575 1.00 6.74 H new ATOM 0 HG22 THR A 229 32.602 14.889 48.480 1.00 6.74 H new ATOM 0 HG23 THR A 229 32.686 16.340 49.109 1.00 6.74 H new ATOM 3066 N LYS A 230 33.215 13.093 50.826 1.00 13.00 N ATOM 3067 CA LYS A 230 32.703 11.688 50.908 1.00 8.41 C ATOM 3068 C LYS A 230 31.815 11.507 49.671 1.00 10.98 C ATOM 3069 O LYS A 230 30.640 11.810 49.700 1.00 14.37 O ATOM 3070 CB LYS A 230 31.944 11.624 52.191 1.00 10.36 C ATOM 3071 CG LYS A 230 31.682 10.218 52.581 1.00 15.22 C ATOM 3072 CD LYS A 230 31.010 10.301 53.975 1.00 17.92 C ATOM 3073 CE LYS A 230 30.853 8.926 54.525 1.00 20.46 C ATOM 3074 NZ LYS A 230 29.926 8.982 55.660 1.00 25.43 N ATOM 0 H LYS A 230 32.728 13.666 51.244 1.00 13.00 H new ATOM 0 HA LYS A 230 33.375 10.988 50.909 1.00 8.41 H new ATOM 0 HB2 LYS A 230 32.446 12.069 52.891 1.00 10.36 H new ATOM 0 HB3 LYS A 230 31.104 12.100 52.098 1.00 10.36 H new ATOM 0 HG2 LYS A 230 31.103 9.778 51.939 1.00 15.22 H new ATOM 0 HG3 LYS A 230 32.505 9.706 52.619 1.00 15.22 H new ATOM 0 HD2 LYS A 230 31.549 10.841 54.574 1.00 17.92 H new ATOM 0 HD3 LYS A 230 30.145 10.733 53.904 1.00 17.92 H new ATOM 0 HE2 LYS A 230 30.514 8.326 53.842 1.00 20.46 H new ATOM 0 HE3 LYS A 230 31.712 8.576 54.808 1.00 20.46 H new ATOM 0 HZ1 LYS A 230 29.822 8.166 55.999 1.00 25.43 H new ATOM 0 HZ2 LYS A 230 30.254 9.523 56.285 1.00 25.43 H new ATOM 0 HZ3 LYS A 230 29.138 9.291 55.385 1.00 25.43 H new ATOM 3088 N VAL A 231 32.433 11.039 48.621 1.00 9.14 N ATOM 3089 CA VAL A 231 31.767 10.794 47.312 1.00 9.78 C ATOM 3090 C VAL A 231 30.550 9.856 47.395 1.00 13.35 C ATOM 3091 O VAL A 231 29.631 10.050 46.613 1.00 15.13 O ATOM 3092 CB VAL A 231 32.780 10.196 46.322 1.00 8.61 C ATOM 3093 CG1 VAL A 231 32.156 10.010 44.909 1.00 10.99 C ATOM 3094 CG2 VAL A 231 33.962 11.159 46.175 1.00 9.74 C ATOM 0 H VAL A 231 33.270 10.842 48.621 1.00 9.14 H new ATOM 0 HA VAL A 231 31.441 11.657 47.013 1.00 9.78 H new ATOM 0 HB VAL A 231 33.057 9.333 46.668 1.00 8.61 H new ATOM 0 HG11 VAL A 231 32.818 9.632 44.310 1.00 10.99 H new ATOM 0 HG12 VAL A 231 31.395 9.412 44.967 1.00 10.99 H new ATOM 0 HG13 VAL A 231 31.865 10.870 44.568 1.00 10.99 H new ATOM 0 HG21 VAL A 231 34.606 10.788 45.551 1.00 9.74 H new ATOM 0 HG22 VAL A 231 33.644 12.013 45.842 1.00 9.74 H new ATOM 0 HG23 VAL A 231 34.385 11.286 47.038 1.00 9.74 H new ATOM 3104 N CYS A 232 30.524 8.894 48.285 1.00 14.72 N ATOM 3105 CA CYS A 232 29.339 7.996 48.332 1.00 14.33 C ATOM 3106 C CYS A 232 28.017 8.750 48.542 1.00 13.63 C ATOM 3107 O CYS A 232 26.985 8.200 48.219 1.00 16.69 O ATOM 3108 CB CYS A 232 29.583 6.963 49.447 1.00 10.91 C ATOM 3109 SG CYS A 232 29.815 7.520 51.140 1.00 8.06 S ATOM 0 H CYS A 232 31.143 8.728 48.859 1.00 14.72 H new ATOM 0 HA CYS A 232 29.241 7.557 47.472 1.00 14.33 H new ATOM 0 HB2 CYS A 232 28.831 6.350 49.444 1.00 10.91 H new ATOM 0 HB3 CYS A 232 30.368 6.450 49.200 1.00 10.91 H new ATOM 3114 N ASN A 233 28.079 9.960 49.045 1.00 13.48 N ATOM 3115 CA ASN A 233 26.834 10.775 49.290 1.00 13.32 C ATOM 3116 C ASN A 233 26.351 11.539 48.072 1.00 13.24 C ATOM 3117 O ASN A 233 25.278 12.129 48.116 1.00 18.06 O ATOM 3118 CB ASN A 233 27.057 11.852 50.343 1.00 11.34 C ATOM 3119 CG ASN A 233 27.120 11.275 51.738 1.00 16.10 C ATOM 3120 OD1 ASN A 233 26.982 10.091 51.913 1.00 24.60 O ATOM 3121 ND2 ASN A 233 27.313 12.029 52.776 1.00 19.40 N ATOM 0 H ASN A 233 28.812 10.355 49.261 1.00 13.48 H new ATOM 0 HA ASN A 233 26.184 10.108 49.562 1.00 13.32 H new ATOM 0 HB2 ASN A 233 27.882 12.324 50.152 1.00 11.34 H new ATOM 0 HB3 ASN A 233 26.340 12.503 50.295 1.00 11.34 H new ATOM 0 HD21 ASN A 233 27.340 11.680 53.562 1.00 19.40 H new ATOM 0 HD22 ASN A 233 27.414 12.877 52.678 1.00 19.40 H new ATOM 3128 N TYR A 234 27.127 11.487 47.028 1.00 8.76 N ATOM 3129 CA TYR A 234 26.809 12.217 45.773 1.00 8.87 C ATOM 3130 C TYR A 234 26.661 11.377 44.582 1.00 5.40 C ATOM 3131 O TYR A 234 26.553 11.972 43.528 1.00 12.02 O ATOM 3132 CB TYR A 234 27.925 13.212 45.450 1.00 6.59 C ATOM 3133 CG TYR A 234 28.197 14.177 46.617 1.00 10.30 C ATOM 3134 CD1 TYR A 234 27.504 15.362 46.716 1.00 13.21 C ATOM 3135 CD2 TYR A 234 29.134 13.856 47.585 1.00 10.11 C ATOM 3136 CE1 TYR A 234 27.736 16.223 47.759 1.00 18.22 C ATOM 3137 CE2 TYR A 234 29.371 14.706 48.629 1.00 13.54 C ATOM 3138 CZ TYR A 234 28.673 15.902 48.727 1.00 13.60 C ATOM 3139 OH TYR A 234 28.897 16.781 49.767 1.00 12.99 O ATOM 0 H TYR A 234 27.859 11.036 46.998 1.00 8.76 H new ATOM 0 HA TYR A 234 25.954 12.637 45.955 1.00 8.87 H new ATOM 0 HB2 TYR A 234 28.738 12.727 45.237 1.00 6.59 H new ATOM 0 HB3 TYR A 234 27.684 13.721 44.660 1.00 6.59 H new ATOM 0 HD1 TYR A 234 26.872 15.581 46.070 1.00 13.21 H new ATOM 0 HD2 TYR A 234 29.605 13.057 47.524 1.00 10.11 H new ATOM 0 HE1 TYR A 234 27.264 17.022 47.816 1.00 18.22 H new ATOM 0 HE2 TYR A 234 30.001 14.483 49.275 1.00 13.54 H new ATOM 0 HH TYR A 234 28.224 17.273 49.868 1.00 12.99 H new ATOM 3149 N VAL A 235 26.658 10.091 44.701 1.00 9.69 N ATOM 3150 CA VAL A 235 26.521 9.249 43.463 1.00 13.07 C ATOM 3151 C VAL A 235 25.230 9.512 42.643 1.00 14.83 C ATOM 3152 O VAL A 235 25.335 9.588 41.428 1.00 4.05 O ATOM 3153 CB VAL A 235 26.679 7.727 43.928 1.00 16.38 C ATOM 3154 CG1 VAL A 235 26.549 6.714 42.760 1.00 18.48 C ATOM 3155 CG2 VAL A 235 28.149 7.546 44.445 1.00 18.31 C ATOM 0 H VAL A 235 26.729 9.659 45.441 1.00 9.69 H new ATOM 0 HA VAL A 235 27.215 9.489 42.830 1.00 13.07 H new ATOM 0 HB VAL A 235 25.985 7.558 44.585 1.00 16.38 H new ATOM 0 HG11 VAL A 235 26.653 5.812 43.101 1.00 18.48 H new ATOM 0 HG12 VAL A 235 25.675 6.805 42.348 1.00 18.48 H new ATOM 0 HG13 VAL A 235 27.237 6.891 42.100 1.00 18.48 H new ATOM 0 HG21 VAL A 235 28.279 6.630 44.736 1.00 18.31 H new ATOM 0 HG22 VAL A 235 28.771 7.749 43.729 1.00 18.31 H new ATOM 0 HG23 VAL A 235 28.307 8.147 45.190 1.00 18.31 H new ATOM 3165 N SER A 236 24.063 9.636 43.227 1.00 13.06 N ATOM 3166 CA SER A 236 22.831 9.902 42.410 1.00 12.09 C ATOM 3167 C SER A 236 22.938 11.289 41.776 1.00 11.03 C ATOM 3168 O SER A 236 22.485 11.450 40.665 1.00 13.69 O ATOM 3169 CB ASER A 236 21.597 9.859 43.295 0.49 11.04 C ATOM 3170 CB BSER A 236 21.634 9.825 43.348 0.32 12.54 C ATOM 3171 OG ASER A 236 21.939 8.845 44.230 0.49 9.99 O ATOM 3172 OG BSER A 236 22.072 10.572 44.491 0.32 13.82 O ATOM 0 H SER A 236 23.932 9.576 44.075 1.00 13.06 H new ATOM 0 HA SER A 236 22.756 9.223 41.721 1.00 12.09 H new ATOM 0 HB2ASER A 236 21.431 10.711 43.728 0.49 12.54 H new ATOM 0 HB2BSER A 236 20.839 10.212 42.949 0.32 12.54 H new ATOM 0 HB3ASER A 236 20.798 9.635 42.793 0.49 12.54 H new ATOM 0 HB3BSER A 236 21.417 8.908 43.579 0.32 12.54 H new ATOM 0 HG ASER A 236 21.309 8.743 44.776 0.49 13.82 H new ATOM 0 HG BSER A 236 21.878 11.383 44.387 0.32 13.82 H new ATOM 3181 N TRP A 237 23.507 12.250 42.475 1.00 9.64 N ATOM 3182 CA TRP A 237 23.652 13.635 41.893 1.00 7.24 C ATOM 3183 C TRP A 237 24.651 13.502 40.742 1.00 4.93 C ATOM 3184 O TRP A 237 24.437 14.109 39.700 1.00 8.74 O ATOM 3185 CB TRP A 237 24.226 14.686 42.931 1.00 9.53 C ATOM 3186 CG TRP A 237 24.577 16.059 42.232 1.00 10.02 C ATOM 3187 CD1 TRP A 237 23.661 16.975 41.767 1.00 12.77 C ATOM 3188 CD2 TRP A 237 25.828 16.538 41.958 1.00 10.62 C ATOM 3189 NE1 TRP A 237 24.432 17.924 41.252 1.00 13.40 N ATOM 3190 CE2 TRP A 237 25.732 17.754 41.323 1.00 7.90 C ATOM 3191 CE3 TRP A 237 27.104 16.027 42.205 1.00 10.41 C ATOM 3192 CZ2 TRP A 237 26.864 18.455 40.944 1.00 12.16 C ATOM 3193 CZ3 TRP A 237 28.255 16.724 41.825 1.00 11.70 C ATOM 3194 CH2 TRP A 237 28.136 17.945 41.187 1.00 12.57 C ATOM 0 H TRP A 237 23.818 12.156 43.271 1.00 9.64 H new ATOM 0 HA TRP A 237 22.780 13.959 41.619 1.00 7.24 H new ATOM 0 HB2 TRP A 237 23.575 14.837 43.634 1.00 9.53 H new ATOM 0 HB3 TRP A 237 25.021 14.324 43.353 1.00 9.53 H new ATOM 0 HD1 TRP A 237 22.732 16.938 41.804 1.00 12.77 H new ATOM 0 HE1 TRP A 237 24.093 18.624 40.885 1.00 13.40 H new ATOM 0 HE3 TRP A 237 27.190 15.205 42.632 1.00 10.41 H new ATOM 0 HZ2 TRP A 237 26.773 19.278 40.521 1.00 12.16 H new ATOM 0 HZ3 TRP A 237 29.096 16.368 42.000 1.00 11.70 H new ATOM 0 HH2 TRP A 237 28.893 18.417 40.925 1.00 12.57 H new ATOM 3205 N ILE A 238 25.705 12.722 40.925 1.00 9.47 N ATOM 3206 CA ILE A 238 26.682 12.584 39.818 1.00 5.55 C ATOM 3207 C ILE A 238 26.006 11.910 38.615 1.00 9.60 C ATOM 3208 O ILE A 238 25.971 12.396 37.492 1.00 12.59 O ATOM 3209 CB ILE A 238 27.916 11.710 40.277 1.00 13.51 C ATOM 3210 CG1 ILE A 238 28.785 12.496 41.279 1.00 13.36 C ATOM 3211 CG2 ILE A 238 28.827 11.322 39.067 1.00 16.66 C ATOM 3212 CD1 ILE A 238 29.945 11.601 41.841 1.00 10.50 C ATOM 0 H ILE A 238 25.881 12.278 41.640 1.00 9.47 H new ATOM 0 HA ILE A 238 26.995 13.468 39.569 1.00 5.55 H new ATOM 0 HB ILE A 238 27.556 10.907 40.685 1.00 13.51 H new ATOM 0 HG12 ILE A 238 29.158 13.279 40.844 1.00 13.36 H new ATOM 0 HG13 ILE A 238 28.233 12.814 42.011 1.00 13.36 H new ATOM 0 HG21 ILE A 238 29.573 10.788 39.382 1.00 16.66 H new ATOM 0 HG22 ILE A 238 28.311 10.810 38.424 1.00 16.66 H new ATOM 0 HG23 ILE A 238 29.163 12.127 38.643 1.00 16.66 H new ATOM 0 HD11 ILE A 238 30.477 12.116 42.468 1.00 10.50 H new ATOM 0 HD12 ILE A 238 29.569 10.830 42.294 1.00 10.50 H new ATOM 0 HD13 ILE A 238 30.507 11.303 41.109 1.00 10.50 H new ATOM 3224 N LYS A 239 25.479 10.758 38.851 1.00 11.16 N ATOM 3225 CA LYS A 239 24.811 10.047 37.739 1.00 9.62 C ATOM 3226 C LYS A 239 23.722 10.840 37.052 1.00 14.94 C ATOM 3227 O LYS A 239 23.591 10.768 35.843 1.00 16.15 O ATOM 3228 CB LYS A 239 24.219 8.767 38.278 1.00 16.83 C ATOM 3229 CG LYS A 239 25.367 7.803 38.544 1.00 19.40 C ATOM 3230 CD LYS A 239 24.794 6.459 39.001 1.00 22.83 C ATOM 3231 CE LYS A 239 25.944 5.437 39.088 1.00 25.58 C ATOM 3232 NZ LYS A 239 25.447 4.139 39.623 0.01 23.91 N ATOM 0 H LYS A 239 25.478 10.354 39.610 1.00 11.16 H new ATOM 0 HA LYS A 239 25.491 9.885 37.066 1.00 9.62 H new ATOM 0 HB2 LYS A 239 23.723 8.938 39.093 1.00 16.83 H new ATOM 0 HB3 LYS A 239 23.595 8.386 37.641 1.00 16.83 H new ATOM 0 HG2 LYS A 239 25.898 7.685 37.741 1.00 19.40 H new ATOM 0 HG3 LYS A 239 25.957 8.164 39.224 1.00 19.40 H new ATOM 0 HD2 LYS A 239 24.362 6.554 39.864 1.00 22.83 H new ATOM 0 HD3 LYS A 239 24.118 6.152 38.377 1.00 22.83 H new ATOM 0 HE2 LYS A 239 26.333 5.304 38.209 1.00 25.58 H new ATOM 0 HE3 LYS A 239 26.648 5.781 39.660 1.00 25.58 H new ATOM 0 HZ1 LYS A 239 26.120 3.559 39.668 0.01 23.91 H new ATOM 0 HZ2 LYS A 239 25.108 4.263 40.437 0.01 23.91 H new ATOM 0 HZ3 LYS A 239 24.815 3.818 39.085 0.01 23.91 H new ATOM 3246 N GLN A 240 22.964 11.565 37.810 1.00 12.21 N ATOM 3247 CA GLN A 240 21.868 12.363 37.187 1.00 21.86 C ATOM 3248 C GLN A 240 22.407 13.538 36.418 1.00 20.58 C ATOM 3249 O GLN A 240 21.950 13.800 35.317 1.00 15.26 O ATOM 3250 CB GLN A 240 20.905 12.853 38.302 1.00 25.91 C ATOM 3251 CG GLN A 240 20.067 11.625 38.816 1.00 29.48 C ATOM 3252 CD GLN A 240 19.395 11.974 40.150 0.26 29.88 C ATOM 3253 OE1 GLN A 240 18.915 13.067 40.353 0.26 29.12 O ATOM 3254 NE2 GLN A 240 19.325 11.090 41.098 0.26 30.40 N ATOM 0 H GLN A 240 23.034 11.632 38.664 1.00 12.21 H new ATOM 0 HA GLN A 240 21.392 11.798 36.559 1.00 21.86 H new ATOM 0 HB2 GLN A 240 21.408 13.247 39.032 1.00 25.91 H new ATOM 0 HB3 GLN A 240 20.316 13.543 37.959 1.00 25.91 H new ATOM 0 HG2 GLN A 240 19.395 11.384 38.159 1.00 29.48 H new ATOM 0 HG3 GLN A 240 20.644 10.853 38.927 1.00 29.48 H new ATOM 0 HE21 GLN A 240 19.658 10.306 40.980 0.26 30.40 H new ATOM 0 HE22 GLN A 240 18.946 11.288 41.844 0.26 30.40 H new ATOM 3263 N THR A 241 23.362 14.200 37.005 1.00 17.09 N ATOM 3264 CA THR A 241 23.939 15.376 36.316 1.00 13.11 C ATOM 3265 C THR A 241 24.648 14.973 35.058 1.00 11.12 C ATOM 3266 O THR A 241 24.403 15.629 34.068 1.00 10.22 O ATOM 3267 CB THR A 241 24.888 16.112 37.320 1.00 16.35 C ATOM 3268 OG1 THR A 241 24.014 16.491 38.374 1.00 18.53 O ATOM 3269 CG2 THR A 241 25.366 17.462 36.786 1.00 15.69 C ATOM 0 H THR A 241 23.698 14.014 37.775 1.00 17.09 H new ATOM 0 HA THR A 241 23.234 15.983 36.042 1.00 13.11 H new ATOM 0 HB THR A 241 25.647 15.544 37.528 1.00 16.35 H new ATOM 0 HG1 THR A 241 23.977 15.874 38.943 1.00 18.53 H new ATOM 0 HG21 THR A 241 25.949 17.880 37.439 1.00 15.69 H new ATOM 0 HG22 THR A 241 25.852 17.329 35.957 1.00 15.69 H new ATOM 0 HG23 THR A 241 24.601 18.035 36.623 1.00 15.69 H new ATOM 3277 N ILE A 242 25.456 13.963 35.088 1.00 10.91 N ATOM 3278 CA ILE A 242 26.146 13.596 33.830 1.00 15.71 C ATOM 3279 C ILE A 242 25.171 13.176 32.724 1.00 17.55 C ATOM 3280 O ILE A 242 25.349 13.479 31.553 1.00 17.10 O ATOM 3281 CB ILE A 242 27.200 12.476 34.131 1.00 14.44 C ATOM 3282 CG1 ILE A 242 26.593 11.122 34.583 1.00 15.05 C ATOM 3283 CG2 ILE A 242 28.186 13.046 35.191 1.00 15.60 C ATOM 3284 CD1 ILE A 242 27.739 10.076 34.663 1.00 15.84 C ATOM 0 H ILE A 242 25.634 13.478 35.776 1.00 10.91 H new ATOM 0 HA ILE A 242 26.602 14.382 33.490 1.00 15.71 H new ATOM 0 HB ILE A 242 27.656 12.255 33.304 1.00 14.44 H new ATOM 0 HG12 ILE A 242 26.161 11.217 35.446 1.00 15.05 H new ATOM 0 HG13 ILE A 242 25.913 10.831 33.956 1.00 15.05 H new ATOM 0 HG21 ILE A 242 28.856 12.377 35.403 1.00 15.60 H new ATOM 0 HG22 ILE A 242 28.621 13.837 34.836 1.00 15.60 H new ATOM 0 HG23 ILE A 242 27.697 13.279 35.996 1.00 15.60 H new ATOM 0 HD11 ILE A 242 27.378 9.221 34.945 1.00 15.84 H new ATOM 0 HD12 ILE A 242 28.152 9.980 33.790 1.00 15.84 H new ATOM 0 HD13 ILE A 242 28.404 10.373 35.304 1.00 15.84 H new ATOM 3296 N ALA A 243 24.149 12.479 33.131 1.00 18.36 N ATOM 3297 CA ALA A 243 23.158 12.017 32.114 1.00 18.55 C ATOM 3298 C ALA A 243 22.375 13.169 31.524 1.00 18.20 C ATOM 3299 O ALA A 243 21.843 12.997 30.459 1.00 14.24 O ATOM 3300 CB ALA A 243 22.167 11.002 32.747 1.00 17.95 C ATOM 0 H ALA A 243 23.987 12.255 33.945 1.00 18.36 H new ATOM 0 HA ALA A 243 23.660 11.591 31.401 1.00 18.55 H new ATOM 0 HB1 ALA A 243 21.530 10.710 32.076 1.00 17.95 H new ATOM 0 HB2 ALA A 243 22.658 10.235 33.081 1.00 17.95 H new ATOM 0 HB3 ALA A 243 21.693 11.426 33.480 1.00 17.95 H new ATOM 3306 N SER A 244 22.271 14.306 32.145 1.00 18.02 N ATOM 3307 CA SER A 244 21.468 15.379 31.470 1.00 17.69 C ATOM 3308 C SER A 244 22.348 16.528 30.949 1.00 12.23 C ATOM 3309 O SER A 244 21.824 17.598 30.692 1.00 17.45 O ATOM 3310 CB SER A 244 20.409 15.960 32.469 1.00 18.04 C ATOM 3311 OG SER A 244 20.371 15.215 33.690 1.00 24.55 O ATOM 0 H SER A 244 22.618 14.505 32.906 1.00 18.02 H new ATOM 0 HA SER A 244 21.029 14.969 30.708 1.00 17.69 H new ATOM 0 HB2 SER A 244 20.619 16.887 32.661 1.00 18.04 H new ATOM 0 HB3 SER A 244 19.532 15.948 32.055 1.00 18.04 H new ATOM 0 HG SER A 244 21.136 15.204 34.036 1.00 24.55 H new ATOM 3317 N ASN A 245 23.619 16.286 30.792 1.00 9.40 N ATOM 3318 CA ASN A 245 24.557 17.338 30.308 1.00 11.18 C ATOM 3319 C ASN A 245 25.578 16.750 29.366 1.00 15.35 C ATOM 3320 O ASN A 245 26.426 17.553 29.032 1.00 18.66 O ATOM 3321 CB ASN A 245 25.338 17.992 31.497 1.00 14.49 C ATOM 3322 CG ASN A 245 24.442 18.932 32.289 1.00 14.78 C ATOM 3323 OD1 ASN A 245 24.259 20.105 31.975 1.00 17.87 O ATOM 3324 ND2 ASN A 245 23.850 18.441 33.338 1.00 14.57 N ATOM 3325 OXT ASN A 245 25.469 15.574 29.054 1.00 18.06 O ATOM 0 H ASN A 245 23.988 15.526 30.953 1.00 9.40 H new ATOM 0 HA ASN A 245 24.019 18.006 29.855 1.00 11.18 H new ATOM 0 HB2 ASN A 245 25.682 17.299 32.082 1.00 14.49 H new ATOM 0 HB3 ASN A 245 26.103 18.481 31.155 1.00 14.49 H new ATOM 0 HD21 ASN A 245 23.331 18.938 33.811 1.00 14.57 H new ATOM 0 HD22 ASN A 245 23.978 17.620 33.559 1.00 14.57 H new TER 3332 ASN A 245 HETATM 3333 CA CA A 247 53.914 14.577 30.772 1.00 14.72 CA HETATM 3334 CL CL A 250 47.705 16.918 42.520 0.85 31.31 CL HETATM 3335 ZN ZN A 258 43.213 23.064 48.100 0.51 37.70 ZN HETATM 3336 ZN ZN A 261 48.003 19.177 42.665 0.92 41.54 ZN HETATM 3337 C1 ABI A 246 45.355 19.419 52.717 0.69 50.84 C HETATM 3338 C2 ABI A 246 44.783 19.063 51.458 0.69 49.36 C HETATM 3339 C3 ABI A 246 44.363 20.030 50.514 0.69 50.44 C HETATM 3340 C4 ABI A 246 44.530 21.335 50.864 0.69 52.95 C HETATM 3341 C5 ABI A 246 45.068 21.690 52.055 0.69 54.24 C HETATM 3342 C6 ABI A 246 45.488 20.791 53.001 0.69 53.43 C HETATM 3343 C7 ABI A 246 45.747 18.473 53.652 0.69 48.43 C HETATM 3344 C8 ABI A 246 44.614 23.419 50.973 0.69 55.77 C HETATM 3345 N1 ABI A 246 46.470 18.840 54.663 0.69 47.27 N HETATM 3346 N2 ABI A 246 45.374 17.233 53.492 0.69 50.17 N HETATM 3347 N3 ABI A 246 44.245 22.412 50.191 0.69 53.45 N HETATM 3348 N4 ABI A 246 45.110 22.969 52.087 0.69 55.40 N HETATM 0 HH22 ABI A 246 45.610 16.636 54.064 0.69 50.17 H new HETATM 0 HH21 ABI A 246 44.892 17.013 52.814 0.69 50.17 H new HETATM 0 HH12 ABI A 246 46.718 18.260 55.248 0.69 47.27 H new HETATM 0 HH11 ABI A 246 46.702 19.664 54.749 0.69 47.27 H new HETATM 0 HN4 ABI A 246 45.414 23.448 52.734 0.69 55.40 H new HETATM 0 HC8 ABI A 246 44.526 24.358 50.745 0.69 55.77 H new HETATM 0 HC6 ABI A 246 45.866 21.092 53.842 0.69 53.43 H new HETATM 0 HC3 ABI A 246 43.976 19.776 49.662 0.69 50.44 H new HETATM 0 HC2 ABI A 246 44.678 18.123 51.242 0.69 49.36 H new HETATM 3358 O HOH A 248 38.907 13.255 42.177 1.00 7.38 O HETATM 3361 O HOH A 249 34.947 18.705 52.097 1.00 19.90 O HETATM 3364 O HOH A 251 54.913 8.779 39.596 1.00 42.10 O HETATM 3367 O HOH A 252 48.136 18.467 58.303 1.00 28.82 O HETATM 3370 O HOH A 253 55.616 12.145 48.953 1.00 39.22 O HETATM 3373 O HOH A 254 52.353 15.285 45.253 1.00 42.54 O HETATM 3376 O HOH A 255 49.179 20.056 34.074 1.00 24.27 O HETATM 3379 O HOH A 256 52.270 4.864 51.488 1.00 28.26 O HETATM 3382 O HOH A 257 36.643 9.897 59.323 1.00 16.42 O HETATM 3385 O HOH A 259 41.895 13.520 66.939 1.00 26.95 O HETATM 3388 O HOH A 260 46.467 24.824 54.048 1.00 43.03 O HETATM 3391 O HOH A 262 51.904 23.779 32.134 1.00 43.90 O HETATM 3394 O HOH A 263 45.271 15.024 42.898 1.00 32.14 O HETATM 3397 O HOH A 264 32.089 18.179 51.497 1.00 9.51 O HETATM 3400 O HOH A 265 45.661 12.455 54.672 1.00 34.14 O HETATM 3403 O HOH A 266 47.697 12.505 57.841 1.00 40.46 O HETATM 3406 O HOH A 268 51.649 18.830 32.279 1.00 42.18 O HETATM 3409 O HOH A 269 47.136 12.431 34.380 1.00 31.24 O HETATM 3412 O HOH A 271 53.165 16.839 29.980 1.00 31.16 O HETATM 3415 O HOH A 272 30.745 25.834 32.331 1.00 30.61 O HETATM 3418 O HOH A 273 27.174 12.893 29.521 1.00 18.95 O HETATM 3421 O HOH A 274 52.700 23.190 35.904 1.00 24.00 O HETATM 3424 O HOH A 275 45.036 9.576 33.352 1.00 17.69 O HETATM 3427 O HOH A 278 30.898 29.565 45.753 1.00 27.14 O HETATM 3430 O HOH A 279 29.874 28.897 48.121 1.00 31.99 O HETATM 3433 O HOH A 280 44.493 7.292 43.904 1.00 15.77 O HETATM 3436 O HOH A 281 32.870 8.006 50.027 1.00 18.10 O HETATM 3439 O HOH A 282 33.682 23.159 57.600 1.00 24.66 O HETATM 3442 O HOH A 283 33.292 18.537 63.541 1.00 18.16 O HETATM 3445 O AHOH A 285 40.730 6.558 64.367 0.50 41.78 O HETATM 3448 O HOH A 286 32.848 5.674 28.477 1.00 25.04 O HETATM 3451 O HOH A 287 53.772 22.126 33.395 1.00 29.77 O HETATM 3454 O HOH A 289 46.848 26.648 28.895 1.00 54.51 O HETATM 3457 O HOH A 291 42.124 0.249 45.172 1.00 40.70 O HETATM 3460 O HOH A 292 33.193 6.880 52.681 1.00 26.04 O HETATM 3463 O HOH A 293 41.173 -1.932 42.460 1.00 34.57 O HETATM 3466 O HOH A 294 27.463 10.264 30.090 1.00 16.97 O HETATM 3469 O HOH A 295 27.680 13.003 26.866 1.00 34.80 O HETATM 3472 O HOH A 297 34.278 7.101 59.203 1.00 32.57 O HETATM 3475 O HOH A 298 39.781 27.620 61.919 1.00 30.58 O HETATM 3478 O HOH A 300 25.518 8.942 31.500 1.00 18.13 O HETATM 3481 O HOH A 301 34.983 1.195 48.913 1.00 19.62 O HETATM 3484 O HOH A 302 54.659 4.656 52.886 1.00 58.05 O HETATM 3487 O HOH A 303 47.246 7.553 63.734 1.00 56.15 O HETATM 3490 O HOH A 305 30.776 23.089 58.832 1.00 35.69 O HETATM 3493 O BHOH A 306 40.177 4.942 62.904 0.50 50.39 O HETATM 3496 O HOH A 307 29.138 7.034 34.585 1.00 31.68 O HETATM 3499 O HOH A 308 54.648 15.871 17.603 1.00 41.36 O HETATM 3502 O HOH A 310 24.638 8.734 34.234 1.00 27.71 O HETATM 3505 O HOH A 312 44.578 2.470 42.469 1.00 50.04 O HETATM 3508 O HOH A 313 23.878 15.992 46.809 1.00 31.34 O HETATM 3511 O HOH A 314 35.940 28.112 46.356 1.00 27.71 O HETATM 3514 O HOH A 315 33.481 30.050 45.115 1.00 60.43 O HETATM 3517 O HOH A 316 57.496 14.377 51.887 1.00 40.52 O HETATM 3520 O HOH A 318 25.155 22.221 56.425 1.00 52.51 O HETATM 3523 O HOH A 319 52.110 22.545 57.773 1.00 43.82 O HETATM 3526 O HOH A 320 33.572 6.347 62.549 1.00 38.90 O HETATM 3529 O HOH A 321 32.038 28.231 43.657 1.00 31.22 O HETATM 3532 O HOH A 322 31.572 18.051 25.593 1.00 42.10 O HETATM 3535 O HOH A 323 47.096 8.310 26.275 1.00 30.68 O HETATM 3538 O HOH A 325 42.792 16.462 52.244 1.00 21.54 O HETATM 3541 O HOH A 335 36.679 29.705 58.376 1.00 46.25 O HETATM 3544 O HOH A 338 26.165 17.532 58.346 1.00 64.28 O HETATM 3547 O HOH A 339 25.106 14.510 60.586 1.00 52.05 O HETATM 3550 O HOH A 340 22.377 17.750 58.861 1.00 47.89 O HETATM 3553 O HOH A 341 27.436 25.350 35.302 1.00 47.77 O HETATM 3556 O HOH A 344 35.795 25.544 33.887 1.00 48.97 O HETATM 3559 O AHOH A 349 30.677 27.902 59.875 0.50 40.31 O HETATM 3562 O BHOH A 350 37.571 6.064 23.113 0.50 52.08 O HETATM 3565 O HOH A 351 36.932 29.778 55.049 1.00 27.36 O HETATM 3568 O HOH A 353 39.395 -6.395 52.094 1.00 47.61 O HETATM 3571 O HOH A 356 46.270 -0.685 24.334 1.00 37.74 O HETATM 3574 O AHOH A 357 40.598 1.133 36.586 0.50 49.83 O HETATM 3577 O HOH A 358 38.904 2.231 31.992 1.00 27.77 O HETATM 3580 O BHOH A 359 41.221 2.231 37.123 0.50 53.77 O HETATM 3583 O HOH A 362 28.047 6.602 56.653 1.00 48.63 O HETATM 3586 O HOH A 363 48.879 25.753 57.659 1.00 45.31 O HETATM 3589 O HOH A 369 24.886 8.890 64.114 1.00 56.55 O HETATM 3592 O HOH A 372 42.700 1.112 47.716 1.00 30.31 O HETATM 3595 O HOH A 373 37.631 -1.651 58.171 1.00 28.74 O HETATM 3598 O HOH A 376 23.376 12.617 45.774 1.00 29.88 O HETATM 3601 O HOH A 377 53.938 20.913 29.237 1.00 40.04 O HETATM 3604 O HOH A 378 45.445 17.989 57.228 1.00 62.57 O HETATM 3607 O HOH A 381 43.326 4.867 65.532 1.00 65.18 O HETATM 3610 O HOH A 390 30.561 11.655 58.987 1.00 35.16 O HETATM 3613 O HOH A 392 57.844 13.695 57.437 1.00 61.77 O HETATM 3616 O HOH A 393 48.412 23.533 25.709 1.00 50.73 O HETATM 3619 O HOH A 395 62.281 19.866 28.819 1.00 34.51 O HETATM 3622 O HOH A 396 32.862 5.309 36.698 1.00 44.70 O HETATM 3625 O HOH A 400 26.444 24.321 54.780 1.00 39.12 O HETATM 3628 O HOH A 401 22.728 30.419 58.765 1.00 52.80 O HETATM 3631 O HOH A 403 58.199 13.094 49.466 1.00 56.37 O HETATM 3634 O HOH A 406 17.299 24.449 59.752 1.00 40.31 O HETATM 3637 O HOH A 407 28.013 6.673 66.221 1.00 49.44 O HETATM 3640 O HOH A 408 59.096 12.708 23.428 1.00 50.67 O HETATM 3643 O CHOH A 409 24.680 0.296 35.676 0.50 60.48 O HETATM 3646 O CHOH A 411 58.495 8.170 55.017 0.50 65.78 O HETATM 3649 O HOH A 412 42.327 0.006 65.856 1.00 61.94 O HETATM 3652 O HOH A 414 24.369 20.086 53.186 1.00 50.68 O HETATM 3655 O HOH A 415 16.610 15.805 43.849 1.00 71.04 O HETATM 3658 O HOH A 417 9.630 30.686 54.442 1.00 31.56 O HETATM 3661 O HOH A 420 46.106 6.439 66.675 1.00 62.20 O HETATM 3664 O HOH A 430 48.137 22.405 66.515 1.00 48.63 O HETATM 3667 O HOH A 435 28.250 14.761 60.704 1.00 51.01 O HETATM 3670 O HOH A 444 32.515 3.064 66.232 1.00 48.09 O HETATM 3673 O HOH A 451 25.707 26.962 57.373 1.00 61.68 O HETATM 3676 O HOH A 452 46.852 22.895 63.552 1.00 48.01 O HETATM 3679 O HOH A 453 22.259 2.286 38.306 1.00 60.48 O HETATM 3682 O HOH A 456 37.691 26.969 58.287 1.00 61.73 O HETATM 3685 O HOH A 463 26.754 10.909 63.553 1.00 49.21 O HETATM 3688 O HOH A 464 37.136 31.917 41.593 1.00 76.74 O HETATM 3691 O HOH A 467 54.068 20.255 41.032 1.00 57.74 O HETATM 3694 O HOH A 472 34.631 4.318 23.424 1.00 44.44 O HETATM 3697 O HOH A 478 48.578 2.165 26.815 1.00 50.03 O HETATM 3700 O HOH A 480 38.775 8.226 68.579 1.00 48.71 O HETATM 3703 O HOH A 481 34.203 4.707 30.711 1.00 39.15 O HETATM 3706 O HOH A 491 46.714 -5.767 55.879 1.00 49.46 O HETATM 3709 O HOH A 502 41.922 13.603 74.317 1.00 57.33 O HETATM 3712 O HOH A 503 30.683 8.244 65.219 1.00 37.58 O HETATM 3715 O HOH A 505 34.025 27.239 32.697 1.00 56.75 O HETATM 3718 O HOH A 512 49.135 21.568 22.166 1.00 49.20 O HETATM 3721 O HOH A 518 25.057 0.699 38.685 1.00 61.01 O HETATM 3724 O HOH A 519 25.326 0.014 41.086 1.00 49.56 O HETATM 3727 O HOH A 520 23.340 2.095 40.769 1.00 49.03 O HETATM 3730 O HOH A 521 30.256 0.020 38.359 1.00 63.15 O HETATM 3733 O HOH A 523 30.867 3.386 38.361 1.00 37.23 O HETATM 3736 O HOH A 525 60.511 12.668 58.665 1.00 59.78 O HETATM 3739 O HOH A 526 58.920 8.473 57.587 1.00 61.63 O HETATM 3742 O HOH A 529 18.731 17.766 43.727 1.00 66.27 O HETATM 3745 O HOH A 530 19.567 15.884 46.885 1.00 58.71 O HETATM 3748 O HOH A 531 17.847 10.871 44.881 1.00 61.30 O HETATM 3751 O HOH A 532 15.722 14.449 47.789 1.00 58.27 O HETATM 3754 O HOH A 534 18.589 18.997 47.968 1.00 67.98 O HETATM 3757 O HOH A 535 24.341 16.975 49.917 1.00 49.71 O HETATM 3760 O HOH A 536 20.539 16.471 50.753 1.00 60.81 O HETATM 3763 O HOH A 538 33.472 6.340 65.862 1.00 43.77 O HETATM 3766 O HOH A 540 21.925 18.712 51.614 1.00 61.82 O HETATM 3769 O HOH A 541 49.946 21.959 68.501 1.00 57.05 O HETATM 3772 O HOH A 543 49.545 25.943 41.101 1.00 58.00 O HETATM 3775 O HOH A 544 60.715 11.342 63.191 1.00 62.49 O HETATM 3778 O HOH A 545 61.377 17.317 61.312 1.00 69.80 O HETATM 3781 O HOH A 546 58.067 14.445 60.081 1.00 58.50 O HETATM 3784 O HOH A 547 29.781 3.308 29.645 1.00 58.35 O HETATM 3787 O HOH A 548 45.860 15.904 21.752 1.00 20.01 O HETATM 3790 O CHOH A 550 45.515 16.550 18.242 0.50 42.84 O HETATM 3793 O HOH A 570 33.455 7.464 24.077 1.00 39.60 O HETATM 3796 O HOH A 575 28.120 2.981 38.425 1.00 37.82 O HETATM 3799 O HOH A 579 73.140 -4.730 38.129 1.00 42.88 O HETATM 3802 O HOH A 581 27.599 11.427 59.367 1.00 56.23 O HETATM 3805 O HOH A 583 11.080 34.688 59.036 1.00 59.14 O HETATM 3808 O HOH A 587 44.331 21.546 22.177 1.00 52.98 O HETATM 3811 O HOH A 588 16.733 14.679 19.687 1.00 48.59 O HETATM 3814 O HOH A 592 56.286 8.213 32.355 1.00 43.28 O HETATM 3817 O HOH A 593 53.047 20.553 25.472 1.00 48.37 O HETATM 3820 O CHOH A 596 59.986 9.657 55.366 0.50 56.37 O HETATM 3823 O HOH A 600 13.475 16.487 43.811 1.00 47.41 O HETATM 3826 O HOH A 602 24.187 4.519 33.996 1.00 51.42 O HETATM 3829 O HOH A 610 32.162 1.879 25.218 1.00 62.35 O HETATM 3832 O HOH A 614 52.045 17.077 18.563 1.00 58.50 O HETATM 3835 O HOH A 615 49.837 14.301 17.410 1.00 53.84 O HETATM 3838 O HOH A 617 56.466 -2.722 50.579 1.00 55.36 O HETATM 3841 O HOH A 618 59.595 -1.173 53.208 1.00 59.34 O HETATM 3844 O HOH A 619 57.865 1.006 52.613 1.00 58.07 O HETATM 3847 O HOH A 621 62.154 16.571 65.412 1.00 66.08 O HETATM 3850 O HOH A 622 58.395 20.825 69.785 1.00 52.16 O HETATM 3853 O HOH A 623 57.021 17.307 68.762 1.00 50.51 O HETATM 3856 O HOH A 625 62.422 14.922 67.774 1.00 59.68 O HETATM 3859 O HOH A 626 59.479 13.067 68.288 1.00 53.13 O HETATM 3862 O HOH A 627 60.509 14.797 70.736 1.00 66.35 O HETATM 3865 O HOH A 628 61.909 18.915 72.720 1.00 55.24 O HETATM 3868 O HOH A 629 60.520 16.521 73.753 1.00 52.79 O HETATM 3871 O HOH A 630 60.307 16.893 77.598 1.00 61.22 O HETATM 3874 O HOH A 631 61.173 11.805 40.711 1.00 49.94 O HETATM 3877 O HOH A 632 62.001 10.900 73.510 1.00 50.72 O HETATM 3880 O HOH A 633 58.488 12.827 71.114 1.00 51.54 O HETATM 3883 O HOH A 634 56.620 13.734 74.050 1.00 59.55 O HETATM 3886 O HOH A 635 59.390 13.719 76.398 1.00 55.28 O HETATM 3889 O HOH A 636 61.404 11.657 76.539 1.00 57.02 O HETATM 3892 O HOH A 639 57.897 13.387 54.632 1.00 40.54 O HETATM 3895 O HOH A 640 56.733 11.020 57.720 1.00 56.20 O HETATM 3898 O HOH A 643 43.716 39.481 33.466 1.00 57.29 O HETATM 3901 O HOH A 644 22.348 10.823 56.571 1.00 72.00 O HETATM 3904 O HOH A 645 24.479 12.554 54.947 1.00 59.56 O HETATM 3907 O HOH A 651 26.103 24.958 32.961 1.00 46.33 O HETATM 3910 O CHOH A 652 28.052 -0.104 35.380 0.50 66.82 O HETATM 3913 O HOH A 655 18.498 25.856 57.872 1.00 41.92 O HETATM 3916 O CHOH A 656 46.018 0.113 36.492 0.50 69.83 O HETATM 3919 O CHOH A 657 42.487 0.709 35.444 0.50 68.45 O CONECT 92 2062 CONECT 338 3336 CONECT 371 600 CONECT 600 371 CONECT 789 3333 CONECT 811 3333 CONECT 858 3333 CONECT 931 3333 CONECT 1678 3109 CONECT 1757 2716 CONECT 2062 92 CONECT 2220 2448 CONECT 2448 2220 CONECT 2589 2904 CONECT 2625 3336 CONECT 2646 3335 CONECT 2716 1757 CONECT 2904 2589 CONECT 3109 1678 CONECT 3333 789 811 858 931 CONECT 3333 3412 CONECT 3334 3336 CONECT 3335 2646 3347 CONECT 3336 338 2625 3334 CONECT 3337 3338 3342 3343 CONECT 3338 3337 3339 3349 CONECT 3339 3338 3340 3350 CONECT 3340 3339 3341 3347 CONECT 3341 3340 3342 3348 CONECT 3342 3337 3341 3351 CONECT 3343 3337 3345 3346 CONECT 3344 3347 3348 3352 CONECT 3345 3343 3353 3354 CONECT 3346 3343 3355 3356 CONECT 3347 3335 3340 3344 CONECT 3348 3341 3344 3357 CONECT 3349 3338 CONECT 3350 3339 CONECT 3351 3342 CONECT 3352 3344 CONECT 3353 3345 CONECT 3354 3345 CONECT 3355 3346 CONECT 3356 3346 CONECT 3357 3348 CONECT 3412 3333 END