HEADER ASPARTYL PROTEASE 25-NOV-97 1AZ5 TITLE UNLIGANDED SIV PROTEASE STRUCTURE IN AN "OPEN" CONFORMATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: SIV PROTEASE; COMPND 3 CHAIN: NULL; COMPND 4 SYNONYM: SIV PROTEINASE; COMPND 5 EC: 3.4.23.16; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: S4H; COMPND 8 BIOLOGICAL_UNIT: DIMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN IMMUNODEFICIENCY VIRUS; SOURCE 3 STRAIN: X90; SOURCE 4 VARIANT: SIV(MAC)239; SOURCE 5 PLASMID: PSOD/PR179; SOURCE 6 GENE: SIV(MAC)239; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PSOD/PR179; SOURCE 9 EXPRESSION_SYSTEM_GENE: SIV(MAC)239 KEYWDS HIV, AIDS, PROTEINASE, ASPARTYL PROTEASE, ENDONUCLEASE EXPDTA X-RAY DIFFRACTION AUTHOR R.B.ROSE,C.S.CRAIK,R.M.STROUD REVDAT 1 27-MAY-98 1AZ5 0 JRNL AUTH R.B.ROSE,C.S.CRAIK,R.M.STROUD JRNL TITL DOMAIN FLEXIBILITY IN RETROVIRAL PROTEASES: JRNL TITL 2 STRUCTURAL IMPLICATIONS FOR DRUG RESISTANT JRNL TITL 3 MUTATIONS JRNL REF BIOCHEMISTRY V. 37 2607 1998 JRNL REFN ASTM BICHAW US ISSN 0006-2960 0033 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.B.ROSE,C.S.CRAIK,N.L.DOUGLAS,R.M.STROUD REMARK 1 TITL THREE-DIMENSIONAL STRUCTURES OF HIV-1 AND SIV REMARK 1 TITL 2 PROTEASE PRODUCT COMPLEXES REMARK 1 REF BIOCHEMISTRY V. 35 12933 1996 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 0033 REMARK 2 REMARK 2 RESOLUTION. 2.0 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) : 2.0 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 0.0 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 94.4 REMARK 3 NUMBER OF REFLECTIONS : 7110 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NONE REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.204 REMARK 3 FREE R VALUE : 0.266 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10. REMARK 3 FREE R VALUE TEST SET COUNT : 775 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.01 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.03 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.5 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 284 REMARK 3 BIN R VALUE (WORKING SET) : 0.254 REMARK 3 BIN FREE R VALUE : 0.267 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 11.4 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 40 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.04 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 730 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 20 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 14. REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23. 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) : 0.25 REMARK 3 ESD FROM SIGMAA (A) : 0.20 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.0 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.21 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.8 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.9 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.4 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : X-PLOR RESTRAINED INDIVIDUAL REMARK 3 B-FACTORS REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; 1.5 REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; 2.0 REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; 1.5 REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; 2.0 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 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARAM11.WAT REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPH11.WAT REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1AZ5 COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 6 REMARK 6 TWO SIDE CHAINS ARE DISORDERED IN THE STRUCTURE: PHE 53 AND REMARK 6 LYS 60. THE COORDINATES FOR THESE SIDE CHAINS ARE OMITTED REMARK 6 FROM THE STRUCTURE. INSTEAD THEY ARE MODELED AS ALANINES. REMARK 7 REMARK 7 THE BACKBONE AND SIDE CHAINS OF FOUR RESIDUES IN THE FLAP REMARK 7 ARE COMPLETELY DISORDERED: GLY 48, GLY 49, ILE 50, AND REMARK 7 GLY 51. THESE RESIDUES ARE OMITTED FROM THE STRUCTURE. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : OCT-1994 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL 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) : 1.54 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : COLLIMATOR REMARK 200 REMARK 200 DETECTOR TYPE : R-AXIS II IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7300 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.0 REMARK 200 RESOLUTION RANGE LOW (A) : 30. REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NONE REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97. REMARK 200 DATA REDUNDANCY : 5. REMARK 200 R MERGE (I) : 0.086 REMARK 200 R SYM (I) : 0.086 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.06 REMARK 200 COMPLETENESS FOR SHELL (%) : 94. REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REMARK 200 REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1SAM REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40. REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM SODIUM CACODYLATE, PH REMARK 280 6.5, 0.3 M NACL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 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+2/3 REMARK 290 3555 Y-X,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,1/3-Z REMARK 290 6555 -X,Y-X,2/3-Z 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 -0.866045 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866006 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 58.59776 REMARK 290 SMTRY1 3 -0.500000 0.866045 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866006 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 29.29888 REMARK 290 SMTRY1 4 -0.500000 0.866045 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866006 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 29.29888 REMARK 290 SMTRY1 6 -0.500000 -0.866045 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866006 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 58.59776 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 THE BIOLOGICALLY ACTIVE MOLECULE IS A DIMER. THE REMARK 300 TWO-FOLD AXIS OF THE DIMER IS ALONG THE CRYSTALLOGRAPHIC REMARK 300 TWO-FOLD AXIS. REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 APPLY THE FOLLOWING TO CHAINS: NULL 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 29.29000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 HOH 413 LIES ON A SPECIAL POSITION. REMARK 450 REMARK 450 SOURCE REMARK 450 THE SOURCE OF THE SIV PROTEASE MUTANT S4H USED WAS FROM A REMARK 450 CLONE EXPRESSED IN E. COLI, AS REFERED TO IN THE MANUSCRIPT REMARK 450 OF ROSE, CRAIK AND STROUD BIOCHEMISTRY, 1996 35(39) REMARK 450 12933-44 AND ALSO CITED IN BIOCHEMISTRY 1998, 37(8) REMARK 450 2607-21. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 PHE 53 CG CD1 CE1 CZ CE2 CD2 REMARK 470 LYS 60 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. SOME OF THESE MAY BE ATOMS REMARK 500 LOCATED ON SPECIAL POSITIONS IN THE CELL. ATOMS WITH REMARK 500 NON-BLANK ALTERNATE LOCATION INDICATORS ARE NOT INCLUDED REMARK 500 IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH 413 O HOH 413 5555 0.13 REMARK 500 1H HOH 413 1H HOH 413 5555 0.27 REMARK 500 2H HOH 413 O HOH 413 5555 0.88 REMARK 500 1H HOH 413 O HOH 413 5555 0.95 REMARK 500 HE2 HIS 41 HE2 HIS 4 1665 1.37 REMARK 500 2H HOH 413 1H HOH 413 5555 1.49 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: NUL REMARK 800 SITE_DESCRIPTION: CATALYTIC ASPARTIC ACID. REMARK 999 REMARK 999 SEQUENCE REMARK 999 1AZ5 SWS P05896 1 - 105 NOT IN ATOMS LIST REMARK 999 1AZ5 SWS P05896 205 - 1056 NOT IN ATOMS LIST REMARK 999 REMARK 999 THE POINT MUTATION OF SER 4 - HIS WAS ENGINEERED TO REMARK 999 DECREASE THE PROTEASE'S SUSCEPTIBILITY TO AUTOPROTEOLYSIS. REMARK 999 ARG 7 IS LYS IN THE PRESENT SUBMISSION. REMARK 999 THE SEQUENCE IN THE SWISS-PROT ENTRY IS FROM POL-SIVM1 REMARK 999 WHICH IS DIFFERENT AT THIS POSITION THAN THE SIVMM239 REMARK 999 SEQUENCE THE AUTHORS USED (AS NAMED IN THE "HUMAN REMARK 999 RETROVIRUS, AIDS" LISTING OF SEQUENCES OF HIV GENOMES, REMARK 999 PUBLISHED BY LOS ALAMOS NATIONAL LABORATORY. REMARK 999 LEU 99 IS PHE IN THE PRESENT SUBMISSION. DBREF 1AZ5 1 47 SWS P05896 POL_SIVM1 106 152 DBREF 1AZ5 52 99 SWS P05896 POL_SIVM1 157 204 SEQADV 1AZ5 HIS 4 SWS P05896 SER 109 ENGINEERED SEQADV 1AZ5 LYS 7 SWS P05896 ARG 112 CONFLICT SEQADV 1AZ5 SWS P05896 GLY 154 GAP IN PDB ENTRY SEQADV 1AZ5 SWS P05896 ILE 155 GAP IN PDB ENTRY SEQADV 1AZ5 SWS P05896 GLY 156 GAP IN PDB ENTRY SEQADV 1AZ5 SWS P05896 GLY 157 GAP IN PDB ENTRY SEQADV 1AZ5 VAL 64 SWS P05896 ILE 169 CONFLICT SEQADV 1AZ5 PHE 99 SWS P05896 LEU 204 CONFLICT SEQRES 1 99 PRO GLN PHE HIS LEU TRP LYS ARG PRO VAL VAL THR ALA SEQRES 2 99 HIS ILE GLU GLY GLN PRO VAL GLU VAL LEU LEU ASP THR SEQRES 3 99 GLY ALA ASP ASP SER ILE VAL THR GLY ILE GLU LEU GLY SEQRES 4 99 PRO HIS TYR THR PRO LYS ILE VAL GLY GLY ILE GLY GLY SEQRES 5 99 PHE ILE ASN THR LYS GLU TYR LYS ASN VAL GLU VAL GLU SEQRES 6 99 VAL LEU GLY LYS ARG ILE LYS GLY THR ILE MET THR GLY SEQRES 7 99 ASP THR PRO ILE ASN ILE PHE GLY ARG ASN LEU LEU THR SEQRES 8 99 ALA LEU GLY MET SER LEU ASN PHE FORMUL 2 HOH *19(H2 O1) HELIX 1 1 ARG 87 ALA 92 1 6 SHEET 1 A 2 VAL 10 ILE 15 0 SHEET 2 A 2 GLN 18 LEU 23 -1 N VAL 22 O VAL 11 SHEET 1 B 3 THR 43 VAL 47 0 SHEET 2 B 3 ILE 54 TYR 59 -1 N GLU 58 O THR 43 SHEET 3 B 3 ILE 75 THR 77 -1 N THR 77 O LYS 57 SHEET 1 C 2 VAL 62 VAL 66 0 SHEET 2 C 2 LYS 69 GLY 73 -1 N GLY 73 O VAL 62 SITE 1 NUL 1 ASP 25 CRYST1 45.400 45.400 87.900 90.00 90.00 120.00 P 32 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 0.022026 0.012717 0.000000 0.00000 SCALE2 0.000000 0.025434 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011377 0.00000 ATOM 1 N PRO 1 15.282 3.147 7.795 1.00 29.47 N ATOM 2 CA PRO 1 15.606 1.757 7.403 1.00 28.87 C ATOM 3 C PRO 1 16.783 1.236 8.225 1.00 28.00 C ATOM 4 O PRO 1 17.342 1.958 9.051 1.00 26.02 O ATOM 5 CB PRO 1 15.942 1.766 5.908 1.00 31.20 C ATOM 6 CG PRO 1 16.296 3.263 5.654 1.00 30.49 C ATOM 7 CD PRO 1 15.395 4.021 6.615 1.00 28.61 C ATOM 8 1H PRO 1 14.379 3.195 8.298 1.00 25.00 H ATOM 9 2H PRO 1 16.062 3.352 8.467 1.00 25.00 H ATOM 10 N GLN 2 17.174 -0.003 7.975 1.00 25.22 N ATOM 11 CA GLN 2 18.264 -0.595 8.713 1.00 26.08 C ATOM 12 C GLN 2 19.288 -1.191 7.779 1.00 24.19 C ATOM 13 O GLN 2 19.022 -1.394 6.596 1.00 20.56 O ATOM 14 CB GLN 2 17.724 -1.671 9.657 1.00 33.17 C ATOM 15 CG GLN 2 16.791 -2.675 8.969 1.00 39.62 C ATOM 16 CD GLN 2 16.125 -3.652 9.936 1.00 40.49 C ATOM 17 OE1 GLN 2 15.907 -4.822 9.599 1.00 43.05 O ATOM 18 NE2 GLN 2 15.791 -3.177 11.129 1.00 39.21 N ATOM 19 H GLN 2 16.788 -0.549 7.255 1.00 25.00 H ATOM 20 1HE2 GLN 2 15.359 -3.819 11.731 1.00 25.00 H ATOM 21 2HE2 GLN 2 15.967 -2.248 11.375 1.00 25.00 H ATOM 22 N PHE 3 20.478 -1.397 8.325 1.00 23.34 N ATOM 23 CA PHE 3 21.606 -1.989 7.638 1.00 22.23 C ATOM 24 C PHE 3 21.887 -3.234 8.401 1.00 23.74 C ATOM 25 O PHE 3 21.962 -3.186 9.628 1.00 25.26 O ATOM 26 CB PHE 3 22.857 -1.146 7.806 1.00 26.21 C ATOM 27 CG PHE 3 22.994 -0.083 6.811 1.00 30.01 C ATOM 28 CD1 PHE 3 23.398 -0.386 5.518 1.00 34.82 C ATOM 29 CD2 PHE 3 22.722 1.229 7.147 1.00 35.02 C ATOM 30 CE1 PHE 3 23.530 0.603 4.563 1.00 34.85 C ATOM 31 CE2 PHE 3 22.853 2.236 6.201 1.00 38.21 C ATOM 32 CZ PHE 3 23.257 1.922 4.902 1.00 39.09 C ATOM 33 H PHE 3 20.628 -1.156 9.265 1.00 25.00 H ATOM 34 N HIS 4 21.976 -4.362 7.715 1.00 21.96 N ATOM 35 CA HIS 4 22.340 -5.579 8.413 1.00 21.94 C ATOM 36 C HIS 4 23.861 -5.612 8.326 1.00 19.85 C ATOM 37 O HIS 4 24.468 -4.889 7.519 1.00 21.07 O ATOM 38 CB HIS 4 21.591 -6.787 7.874 1.00 23.15 C ATOM 39 CG HIS 4 20.127 -6.733 8.186 1.00 28.56 C ATOM 40 ND1 HIS 4 19.649 -6.718 9.480 1.00 33.55 N ATOM 41 CD2 HIS 4 19.043 -6.573 7.391 1.00 31.09 C ATOM 42 CE1 HIS 4 18.340 -6.547 9.470 1.00 30.90 C ATOM 43 NE2 HIS 4 17.947 -6.454 8.213 1.00 32.47 N ATOM 44 H HIS 4 21.871 -4.338 6.742 1.00 25.00 H ATOM 45 HD1 HIS 4 20.174 -6.848 10.305 1.00 25.00 H ATOM 46 HE2 HIS 4 17.010 -6.276 7.955 1.00 25.00 H ATOM 47 N LEU 5 24.490 -6.361 9.212 1.00 18.51 N ATOM 48 CA LEU 5 25.940 -6.338 9.285 1.00 18.38 C ATOM 49 C LEU 5 26.716 -7.512 8.734 1.00 19.07 C ATOM 50 O LEU 5 27.841 -7.754 9.134 1.00 19.04 O ATOM 51 CB LEU 5 26.347 -6.013 10.728 1.00 21.11 C ATOM 52 CG LEU 5 25.775 -4.676 11.249 1.00 20.37 C ATOM 53 CD1 LEU 5 25.622 -4.648 12.782 1.00 18.46 C ATOM 54 CD2 LEU 5 26.630 -3.518 10.748 1.00 17.57 C ATOM 55 H LEU 5 23.982 -6.943 9.795 1.00 25.00 H ATOM 56 N TRP 6 26.131 -8.220 7.776 1.00 21.84 N ATOM 57 CA TRP 6 26.816 -9.345 7.166 1.00 21.90 C ATOM 58 C TRP 6 27.991 -8.801 6.344 1.00 22.60 C ATOM 59 O TRP 6 29.078 -9.384 6.326 1.00 23.46 O ATOM 60 CB TRP 6 25.847 -10.134 6.300 1.00 25.18 C ATOM 61 CG TRP 6 24.790 -10.838 7.095 1.00 31.73 C ATOM 62 CD1 TRP 6 23.452 -10.518 7.168 1.00 34.41 C ATOM 63 CD2 TRP 6 24.965 -12.005 7.911 1.00 31.25 C ATOM 64 NE1 TRP 6 22.794 -11.421 7.968 1.00 33.65 N ATOM 65 CE2 TRP 6 23.696 -12.345 8.433 1.00 32.50 C ATOM 66 CE3 TRP 6 26.069 -12.798 8.246 1.00 31.12 C ATOM 67 CZ2 TRP 6 23.506 -13.447 9.271 1.00 31.32 C ATOM 68 CZ3 TRP 6 25.876 -13.892 9.082 1.00 28.78 C ATOM 69 CH2 TRP 6 24.605 -14.204 9.580 1.00 31.55 C ATOM 70 H TRP 6 25.247 -7.958 7.463 1.00 25.00 H ATOM 71 HE1 TRP 6 21.834 -11.431 8.165 1.00 25.00 H ATOM 72 N LYS 7 27.783 -7.666 5.678 1.00 24.64 N ATOM 73 CA LYS 7 28.854 -7.047 4.900 1.00 21.02 C ATOM 74 C LYS 7 29.367 -5.847 5.703 1.00 16.93 C ATOM 75 O LYS 7 28.643 -5.319 6.554 1.00 16.12 O ATOM 76 CB LYS 7 28.342 -6.615 3.495 1.00 23.77 C ATOM 77 CG LYS 7 27.379 -5.388 3.428 1.00 27.68 C ATOM 78 CD LYS 7 26.804 -5.080 1.984 1.00 25.88 C ATOM 79 CE LYS 7 27.769 -4.378 0.977 1.00 26.44 C ATOM 80 NZ LYS 7 27.878 -2.855 1.022 1.00 24.76 N ATOM 81 H LYS 7 26.936 -7.189 5.749 1.00 25.00 H ATOM 82 1HZ LYS 7 28.203 -2.554 1.962 1.00 25.00 H ATOM 83 2HZ LYS 7 28.553 -2.534 0.298 1.00 25.00 H ATOM 84 3HZ LYS 7 26.941 -2.452 0.826 1.00 25.00 H ATOM 85 N ARG 8 30.631 -5.476 5.507 1.00 15.94 N ATOM 86 CA ARG 8 31.173 -4.287 6.157 1.00 19.16 C ATOM 87 C ARG 8 30.264 -3.142 5.696 1.00 20.91 C ATOM 88 O ARG 8 29.992 -2.982 4.500 1.00 15.73 O ATOM 89 CB ARG 8 32.593 -3.987 5.684 1.00 19.21 C ATOM 90 CG ARG 8 33.478 -5.196 5.591 1.00 32.43 C ATOM 91 CD ARG 8 34.938 -4.836 5.757 1.00 36.02 C ATOM 92 NE ARG 8 35.309 -3.636 5.021 1.00 46.04 N ATOM 93 CZ ARG 8 36.092 -2.677 5.517 1.00 54.44 C ATOM 94 NH1 ARG 8 36.568 -2.772 6.763 1.00 56.03 N ATOM 95 NH2 ARG 8 36.391 -1.612 4.777 1.00 57.34 N ATOM 96 H ARG 8 31.174 -5.996 4.884 1.00 25.00 H ATOM 97 HE ARG 8 34.968 -3.527 4.109 1.00 25.00 H ATOM 98 1HH1 ARG 8 36.344 -3.567 7.328 1.00 25.00 H ATOM 99 2HH1 ARG 8 37.160 -2.056 7.132 1.00 25.00 H ATOM 100 1HH2 ARG 8 36.031 -1.533 3.848 1.00 25.00 H ATOM 101 2HH2 ARG 8 36.982 -0.899 5.153 1.00 25.00 H ATOM 102 N PRO 9 29.789 -2.317 6.629 1.00 19.42 N ATOM 103 CA PRO 9 28.907 -1.213 6.228 1.00 16.52 C ATOM 104 C PRO 9 29.626 0.002 5.609 1.00 16.92 C ATOM 105 O PRO 9 29.859 1.009 6.277 1.00 17.12 O ATOM 106 CB PRO 9 28.191 -0.883 7.521 1.00 16.42 C ATOM 107 CG PRO 9 29.302 -1.117 8.554 1.00 16.58 C ATOM 108 CD PRO 9 30.042 -2.335 8.078 1.00 16.49 C ATOM 109 N VAL 10 29.952 -0.113 4.321 1.00 17.82 N ATOM 110 CA VAL 10 30.639 0.923 3.536 1.00 15.98 C ATOM 111 C VAL 10 29.593 1.571 2.630 1.00 17.55 C ATOM 112 O VAL 10 28.880 0.878 1.904 1.00 20.45 O ATOM 113 CB VAL 10 31.756 0.305 2.651 1.00 16.42 C ATOM 114 CG1 VAL 10 32.339 1.350 1.684 1.00 18.30 C ATOM 115 CG2 VAL 10 32.856 -0.271 3.514 1.00 13.31 C ATOM 116 H VAL 10 29.701 -0.943 3.857 1.00 25.00 H ATOM 117 N VAL 11 29.457 2.894 2.716 1.00 20.44 N ATOM 118 CA VAL 11 28.476 3.623 1.906 1.00 15.58 C ATOM 119 C VAL 11 29.180 4.746 1.152 1.00 12.32 C ATOM 120 O VAL 11 30.362 4.990 1.363 1.00 11.13 O ATOM 121 CB VAL 11 27.331 4.240 2.780 1.00 13.47 C ATOM 122 CG1 VAL 11 26.441 3.160 3.334 1.00 11.78 C ATOM 123 CG2 VAL 11 27.908 5.089 3.917 1.00 13.99 C ATOM 124 H VAL 11 30.050 3.391 3.319 1.00 25.00 H ATOM 125 N THR 12 28.475 5.394 0.236 1.00 14.18 N ATOM 126 CA THR 12 29.084 6.495 -0.487 1.00 15.64 C ATOM 127 C THR 12 28.521 7.781 0.061 1.00 13.72 C ATOM 128 O THR 12 27.303 7.933 0.187 1.00 17.09 O ATOM 129 CB THR 12 28.789 6.462 -1.967 1.00 18.16 C ATOM 130 OG1 THR 12 29.127 5.172 -2.490 1.00 23.87 O ATOM 131 CG2 THR 12 29.614 7.533 -2.664 1.00 18.45 C ATOM 132 H THR 12 27.539 5.175 0.080 1.00 25.00 H ATOM 133 HG1 THR 12 29.112 5.198 -3.449 1.00 25.00 H ATOM 134 N ALA 13 29.408 8.722 0.336 1.00 12.54 N ATOM 135 CA ALA 13 29.015 9.998 0.878 1.00 9.21 C ATOM 136 C ALA 13 29.589 11.052 -0.029 1.00 12.90 C ATOM 137 O ALA 13 30.481 10.764 -0.822 1.00 12.80 O ATOM 138 CB ALA 13 29.599 10.149 2.292 1.00 12.89 C ATOM 139 H ALA 13 30.358 8.567 0.172 1.00 25.00 H ATOM 140 N HIS 14 29.018 12.246 0.027 1.00 12.97 N ATOM 141 CA HIS 14 29.513 13.382 -0.730 1.00 12.33 C ATOM 142 C HIS 14 29.894 14.385 0.332 1.00 14.52 C ATOM 143 O HIS 14 29.070 14.751 1.170 1.00 15.52 O ATOM 144 CB HIS 14 28.423 13.997 -1.591 1.00 12.13 C ATOM 145 CG HIS 14 28.283 13.364 -2.930 1.00 12.68 C ATOM 146 ND1 HIS 14 28.884 12.169 -3.256 1.00 17.64 N ATOM 147 CD2 HIS 14 27.590 13.750 -4.025 1.00 11.79 C ATOM 148 CE1 HIS 14 28.567 11.842 -4.493 1.00 15.56 C ATOM 149 NE2 HIS 14 27.782 12.786 -4.981 1.00 18.48 N ATOM 150 H HIS 14 28.245 12.372 0.622 1.00 25.00 H ATOM 151 HD1 HIS 14 29.453 11.622 -2.659 1.00 25.00 H ATOM 152 HE2 HIS 14 27.405 12.799 -5.888 1.00 25.00 H ATOM 153 N ILE 15 31.147 14.797 0.346 1.00 14.18 N ATOM 154 CA ILE 15 31.569 15.769 1.336 1.00 16.82 C ATOM 155 C ILE 15 31.921 17.003 0.556 1.00 15.02 C ATOM 156 O ILE 15 32.880 16.995 -0.204 1.00 14.25 O ATOM 157 CB ILE 15 32.772 15.264 2.160 1.00 15.80 C ATOM 158 CG1 ILE 15 32.410 13.918 2.822 1.00 14.82 C ATOM 159 CG2 ILE 15 33.166 16.332 3.190 1.00 13.29 C ATOM 160 CD1 ILE 15 33.480 13.314 3.713 1.00 18.01 C ATOM 161 H ILE 15 31.815 14.457 -0.282 1.00 25.00 H ATOM 162 N GLU 16 31.127 18.051 0.716 1.00 15.29 N ATOM 163 CA GLU 16 31.355 19.280 -0.042 1.00 20.80 C ATOM 164 C GLU 16 31.327 18.955 -1.529 1.00 17.58 C ATOM 165 O GLU 16 32.094 19.516 -2.296 1.00 19.64 O ATOM 166 CB GLU 16 32.705 19.896 0.306 1.00 29.09 C ATOM 167 CG GLU 16 32.762 20.489 1.688 1.00 39.55 C ATOM 168 CD GLU 16 32.020 21.799 1.769 1.00 44.27 C ATOM 169 OE1 GLU 16 32.413 22.717 1.016 1.00 49.05 O ATOM 170 OE2 GLU 16 31.060 21.912 2.576 1.00 45.93 O ATOM 171 H GLU 16 30.414 17.994 1.383 1.00 25.00 H ATOM 172 N GLY 17 30.480 17.998 -1.907 1.00 15.95 N ATOM 173 CA GLY 17 30.340 17.589 -3.295 1.00 17.20 C ATOM 174 C GLY 17 31.347 16.586 -3.837 1.00 13.51 C ATOM 175 O GLY 17 31.250 16.172 -4.985 1.00 12.96 O ATOM 176 H GLY 17 29.941 17.543 -1.234 1.00 25.00 H ATOM 177 N GLN 18 32.303 16.172 -3.018 1.00 15.81 N ATOM 178 CA GLN 18 33.322 15.224 -3.453 1.00 14.96 C ATOM 179 C GLN 18 32.937 13.845 -2.941 1.00 20.01 C ATOM 180 O GLN 18 32.728 13.668 -1.736 1.00 16.25 O ATOM 181 CB GLN 18 34.686 15.656 -2.913 1.00 15.03 C ATOM 182 CG GLN 18 35.065 17.068 -3.330 1.00 11.97 C ATOM 183 CD GLN 18 36.383 17.517 -2.766 1.00 11.18 C ATOM 184 OE1 GLN 18 37.377 16.804 -2.813 1.00 13.67 O ATOM 185 NE2 GLN 18 36.401 18.718 -2.230 1.00 18.44 N ATOM 186 H GLN 18 32.352 16.515 -2.101 1.00 25.00 H ATOM 187 1HE2 GLN 18 37.233 19.083 -1.873 1.00 25.00 H ATOM 188 2HE2 GLN 18 35.555 19.214 -2.221 1.00 25.00 H ATOM 189 N PRO 19 32.793 12.855 -3.857 1.00 21.37 N ATOM 190 CA PRO 19 32.412 11.476 -3.489 1.00 21.12 C ATOM 191 C PRO 19 33.504 10.674 -2.768 1.00 23.07 C ATOM 192 O PRO 19 34.693 10.760 -3.107 1.00 24.59 O ATOM 193 CB PRO 19 32.017 10.859 -4.824 1.00 17.86 C ATOM 194 CG PRO 19 32.958 11.539 -5.773 1.00 21.85 C ATOM 195 CD PRO 19 33.000 12.980 -5.309 1.00 18.08 C ATOM 196 N VAL 20 33.100 9.905 -1.763 1.00 17.30 N ATOM 197 CA VAL 20 34.049 9.111 -1.000 1.00 17.08 C ATOM 198 C VAL 20 33.302 7.911 -0.441 1.00 15.36 C ATOM 199 O VAL 20 32.090 7.971 -0.291 1.00 20.35 O ATOM 200 CB VAL 20 34.706 9.997 0.129 1.00 17.37 C ATOM 201 CG1 VAL 20 33.665 10.484 1.131 1.00 16.12 C ATOM 202 CG2 VAL 20 35.800 9.267 0.820 1.00 22.34 C ATOM 203 H VAL 20 32.157 9.851 -1.499 1.00 25.00 H ATOM 204 N GLU 21 33.956 6.767 -0.340 1.00 13.76 N ATOM 205 CA GLU 21 33.299 5.617 0.273 1.00 19.77 C ATOM 206 C GLU 21 33.799 5.519 1.720 1.00 18.26 C ATOM 207 O GLU 21 35.006 5.541 1.982 1.00 17.45 O ATOM 208 CB GLU 21 33.553 4.338 -0.502 1.00 26.15 C ATOM 209 CG GLU 21 32.778 4.320 -1.787 1.00 38.89 C ATOM 210 CD GLU 21 32.343 2.929 -2.159 1.00 47.30 C ATOM 211 OE1 GLU 21 33.193 2.163 -2.683 1.00 48.65 O ATOM 212 OE2 GLU 21 31.154 2.603 -1.908 1.00 51.91 O ATOM 213 H GLU 21 34.857 6.653 -0.684 1.00 25.00 H ATOM 214 N VAL 22 32.867 5.438 2.662 1.00 17.03 N ATOM 215 CA VAL 22 33.235 5.416 4.063 1.00 13.74 C ATOM 216 C VAL 22 32.671 4.239 4.832 1.00 12.34 C ATOM 217 O VAL 22 31.645 3.661 4.440 1.00 11.84 O ATOM 218 CB VAL 22 32.779 6.738 4.750 1.00 13.37 C ATOM 219 CG1 VAL 22 33.464 7.929 4.100 1.00 14.35 C ATOM 220 CG2 VAL 22 31.265 6.909 4.624 1.00 12.23 C ATOM 221 H VAL 22 31.924 5.352 2.410 1.00 25.00 H ATOM 222 N LEU 23 33.351 3.892 5.924 1.00 13.08 N ATOM 223 CA LEU 23 32.917 2.810 6.807 1.00 11.74 C ATOM 224 C LEU 23 32.210 3.418 8.017 1.00 10.62 C ATOM 225 O LEU 23 32.737 4.322 8.635 1.00 12.01 O ATOM 226 CB LEU 23 34.119 1.999 7.282 1.00 10.86 C ATOM 227 CG LEU 23 33.839 0.842 8.246 1.00 9.96 C ATOM 228 CD1 LEU 23 33.105 -0.290 7.579 1.00 9.49 C ATOM 229 CD2 LEU 23 35.162 0.362 8.752 1.00 13.73 C ATOM 230 H LEU 23 34.169 4.376 6.153 1.00 25.00 H ATOM 231 N LEU 24 30.980 2.983 8.279 1.00 14.47 N ATOM 232 CA LEU 24 30.181 3.457 9.421 1.00 14.17 C ATOM 233 C LEU 24 30.744 2.637 10.571 1.00 13.64 C ATOM 234 O LEU 24 30.422 1.463 10.738 1.00 13.01 O ATOM 235 CB LEU 24 28.691 3.157 9.199 1.00 11.86 C ATOM 236 CG LEU 24 28.136 3.666 7.862 1.00 11.53 C ATOM 237 CD1 LEU 24 26.674 3.339 7.717 1.00 12.71 C ATOM 238 CD2 LEU 24 28.346 5.147 7.757 1.00 13.60 C ATOM 239 H LEU 24 30.591 2.300 7.689 1.00 25.00 H ATOM 240 N ASP 25 31.622 3.269 11.334 1.00 14.29 N ATOM 241 CA ASP 25 32.365 2.616 12.407 1.00 13.56 C ATOM 242 C ASP 25 31.943 2.975 13.843 1.00 12.64 C ATOM 243 O ASP 25 32.262 4.056 14.334 1.00 15.02 O ATOM 244 CB ASP 25 33.830 2.990 12.169 1.00 12.63 C ATOM 245 CG ASP 25 34.790 2.128 12.925 1.00 16.74 C ATOM 246 OD1 ASP 25 34.364 1.396 13.840 1.00 19.84 O ATOM 247 OD2 ASP 25 35.987 2.198 12.599 1.00 17.49 O ATOM 248 H ASP 25 31.772 4.229 11.182 1.00 25.00 H ATOM 249 N THR 26 31.255 2.066 14.530 1.00 15.03 N ATOM 250 CA THR 26 30.836 2.338 15.911 1.00 13.89 C ATOM 251 C THR 26 32.033 2.248 16.869 1.00 18.09 C ATOM 252 O THR 26 31.960 2.661 18.030 1.00 20.93 O ATOM 253 CB THR 26 29.718 1.392 16.400 1.00 9.76 C ATOM 254 OG1 THR 26 30.174 0.041 16.340 1.00 9.74 O ATOM 255 CG2 THR 26 28.450 1.559 15.565 1.00 10.24 C ATOM 256 H THR 26 30.984 1.221 14.109 1.00 25.00 H ATOM 257 HG1 THR 26 30.673 -0.175 17.137 1.00 25.00 H ATOM 258 N GLY 27 33.135 1.703 16.378 1.00 15.55 N ATOM 259 CA GLY 27 34.318 1.594 17.200 1.00 15.79 C ATOM 260 C GLY 27 35.156 2.850 17.193 1.00 18.78 C ATOM 261 O GLY 27 36.093 2.937 17.975 1.00 23.48 O ATOM 262 H GLY 27 33.122 1.355 15.472 1.00 25.00 H ATOM 263 N ALA 28 34.831 3.815 16.328 1.00 16.65 N ATOM 264 CA ALA 28 35.582 5.077 16.233 1.00 13.67 C ATOM 265 C ALA 28 34.812 6.242 16.837 1.00 15.25 C ATOM 266 O ALA 28 33.600 6.368 16.637 1.00 15.13 O ATOM 267 CB ALA 28 35.888 5.383 14.790 1.00 11.82 C ATOM 268 H ALA 28 34.045 3.730 15.751 1.00 25.00 H ATOM 269 N ASP 29 35.514 7.092 17.579 1.00 16.59 N ATOM 270 CA ASP 29 34.899 8.271 18.213 1.00 20.35 C ATOM 271 C ASP 29 34.765 9.437 17.234 1.00 19.81 C ATOM 272 O ASP 29 33.803 10.207 17.302 1.00 21.10 O ATOM 273 CB ASP 29 35.738 8.743 19.409 1.00 23.36 C ATOM 274 CG ASP 29 36.097 7.612 20.358 1.00 25.06 C ATOM 275 OD1 ASP 29 35.231 6.755 20.629 1.00 24.58 O ATOM 276 OD2 ASP 29 37.258 7.578 20.815 1.00 29.90 O ATOM 277 H ASP 29 36.462 6.903 17.716 1.00 25.00 H ATOM 278 N ASP 30 35.758 9.565 16.351 1.00 20.27 N ATOM 279 CA ASP 30 35.821 10.623 15.340 1.00 20.62 C ATOM 280 C ASP 30 35.887 10.097 13.903 1.00 18.14 C ATOM 281 O ASP 30 36.001 8.901 13.666 1.00 17.71 O ATOM 282 CB ASP 30 37.030 11.519 15.588 1.00 26.53 C ATOM 283 CG ASP 30 37.005 12.173 16.953 1.00 33.52 C ATOM 284 OD1 ASP 30 35.928 12.683 17.355 1.00 37.70 O ATOM 285 OD2 ASP 30 38.071 12.173 17.617 1.00 38.94 O ATOM 286 H ASP 30 36.473 8.902 16.340 1.00 25.00 H ATOM 287 N SER 31 35.861 11.020 12.954 1.00 18.00 N ATOM 288 CA SER 31 35.889 10.669 11.555 1.00 15.01 C ATOM 289 C SER 31 37.103 11.223 10.813 1.00 14.51 C ATOM 290 O SER 31 37.462 12.388 10.964 1.00 16.32 O ATOM 291 CB SER 31 34.603 11.170 10.900 1.00 12.89 C ATOM 292 OG SER 31 33.476 10.638 11.558 1.00 12.49 O ATOM 293 H SER 31 35.775 11.958 13.201 1.00 25.00 H ATOM 294 HG SER 31 33.449 11.027 12.442 1.00 25.00 H ATOM 295 N ILE 32 37.745 10.376 10.022 1.00 15.70 N ATOM 296 CA ILE 32 38.894 10.787 9.227 1.00 16.68 C ATOM 297 C ILE 32 38.714 10.176 7.845 1.00 16.71 C ATOM 298 O ILE 32 38.305 9.020 7.691 1.00 16.87 O ATOM 299 CB ILE 32 40.254 10.395 9.866 1.00 18.34 C ATOM 300 CG1 ILE 32 41.398 10.949 9.006 1.00 15.01 C ATOM 301 CG2 ILE 32 40.348 8.881 10.089 1.00 20.29 C ATOM 302 CD1 ILE 32 42.749 10.745 9.603 1.00 21.04 C ATOM 303 H ILE 32 37.433 9.449 9.921 1.00 25.00 H ATOM 304 N VAL 33 39.049 10.958 6.839 1.00 19.15 N ATOM 305 CA VAL 33 38.845 10.566 5.458 1.00 17.12 C ATOM 306 C VAL 33 40.040 11.058 4.608 1.00 16.70 C ATOM 307 O VAL 33 40.792 11.939 5.031 1.00 14.01 O ATOM 308 CB VAL 33 37.491 11.246 5.033 1.00 19.09 C ATOM 309 CG1 VAL 33 37.621 12.020 3.771 1.00 19.91 C ATOM 310 CG2 VAL 33 36.322 10.266 5.047 1.00 12.74 C ATOM 311 H VAL 33 39.469 11.830 7.010 1.00 25.00 H ATOM 312 N THR 34 40.270 10.444 3.456 1.00 16.95 N ATOM 313 CA THR 34 41.331 10.913 2.580 1.00 17.79 C ATOM 314 C THR 34 40.857 10.885 1.124 1.00 15.62 C ATOM 315 O THR 34 39.772 10.383 0.805 1.00 12.95 O ATOM 316 CB THR 34 42.695 10.180 2.812 1.00 19.25 C ATOM 317 OG1 THR 34 43.742 10.927 2.186 1.00 26.57 O ATOM 318 CG2 THR 34 42.708 8.765 2.240 1.00 18.67 C ATOM 319 H THR 34 39.740 9.663 3.188 1.00 25.00 H ATOM 320 HG1 THR 34 43.794 10.716 1.254 1.00 25.00 H ATOM 321 N GLY 35 41.602 11.564 0.269 1.00 21.23 N ATOM 322 CA GLY 35 41.246 11.607 -1.133 1.00 23.76 C ATOM 323 C GLY 35 40.330 12.750 -1.538 1.00 27.89 C ATOM 324 O GLY 35 39.823 12.768 -2.661 1.00 34.08 O ATOM 325 H GLY 35 42.381 12.064 0.597 1.00 25.00 H ATOM 326 N ILE 36 40.072 13.686 -0.634 1.00 22.33 N ATOM 327 CA ILE 36 39.226 14.821 -0.978 1.00 20.93 C ATOM 328 C ILE 36 39.996 16.076 -0.589 1.00 18.69 C ATOM 329 O ILE 36 40.974 15.984 0.150 1.00 23.53 O ATOM 330 CB ILE 36 37.845 14.766 -0.282 1.00 18.86 C ATOM 331 CG1 ILE 36 38.019 14.701 1.231 1.00 19.11 C ATOM 332 CG2 ILE 36 37.046 13.578 -0.792 1.00 17.95 C ATOM 333 CD1 ILE 36 36.800 15.118 1.981 1.00 19.71 C ATOM 334 H ILE 36 40.464 13.666 0.258 1.00 25.00 H ATOM 335 N GLU 37 39.641 17.218 -1.160 1.00 16.87 N ATOM 336 CA GLU 37 40.338 18.454 -0.834 1.00 18.20 C ATOM 337 C GLU 37 39.374 19.472 -0.313 1.00 18.50 C ATOM 338 O GLU 37 38.664 20.115 -1.088 1.00 22.32 O ATOM 339 CB GLU 37 41.083 19.012 -2.038 1.00 21.56 C ATOM 340 CG GLU 37 42.572 18.797 -1.926 1.00 26.53 C ATOM 341 CD GLU 37 43.178 19.368 -0.616 1.00 30.99 C ATOM 342 OE1 GLU 37 42.603 20.311 0.029 1.00 30.98 O ATOM 343 OE2 GLU 37 44.262 18.863 -0.241 1.00 30.77 O ATOM 344 H GLU 37 38.914 17.221 -1.816 1.00 25.00 H ATOM 345 N LEU 38 39.384 19.656 1.002 1.00 16.59 N ATOM 346 CA LEU 38 38.453 20.577 1.633 1.00 15.97 C ATOM 347 C LEU 38 38.962 21.985 1.809 1.00 17.56 C ATOM 348 O LEU 38 38.269 22.831 2.365 1.00 21.33 O ATOM 349 CB LEU 38 37.934 20.009 2.952 1.00 16.57 C ATOM 350 CG LEU 38 37.097 18.740 2.769 1.00 19.18 C ATOM 351 CD1 LEU 38 36.777 18.168 4.124 1.00 17.51 C ATOM 352 CD2 LEU 38 35.826 19.051 1.976 1.00 15.80 C ATOM 353 H LEU 38 40.024 19.149 1.545 1.00 25.00 H ATOM 354 N GLY 39 40.189 22.247 1.390 1.00 18.31 N ATOM 355 CA GLY 39 40.647 23.611 1.499 1.00 20.54 C ATOM 356 C GLY 39 41.679 24.010 2.533 1.00 21.16 C ATOM 357 O GLY 39 42.143 23.208 3.350 1.00 18.30 O ATOM 358 H GLY 39 40.768 21.559 1.015 1.00 25.00 H ATOM 359 N PRO 40 42.037 25.298 2.503 1.00 21.30 N ATOM 360 CA PRO 40 43.016 25.963 3.359 1.00 21.87 C ATOM 361 C PRO 40 42.553 26.369 4.749 1.00 17.51 C ATOM 362 O PRO 40 43.376 26.692 5.597 1.00 20.50 O ATOM 363 CB PRO 40 43.390 27.181 2.516 1.00 20.36 C ATOM 364 CG PRO 40 42.049 27.571 1.939 1.00 20.69 C ATOM 365 CD PRO 40 41.440 26.254 1.543 1.00 18.83 C ATOM 366 N HIS 41 41.249 26.313 4.989 1.00 16.72 N ATOM 367 CA HIS 41 40.712 26.726 6.266 1.00 22.19 C ATOM 368 C HIS 41 40.492 25.585 7.252 1.00 21.66 C ATOM 369 O HIS 41 39.360 25.176 7.487 1.00 24.10 O ATOM 370 CB HIS 41 39.403 27.466 6.028 1.00 29.37 C ATOM 371 CG HIS 41 39.270 28.735 6.818 1.00 34.68 C ATOM 372 ND1 HIS 41 38.673 28.782 8.060 1.00 35.50 N ATOM 373 CD2 HIS 41 39.612 30.012 6.515 1.00 34.60 C ATOM 374 CE1 HIS 41 38.647 30.034 8.483 1.00 37.85 C ATOM 375 NE2 HIS 41 39.211 30.798 7.565 1.00 35.89 N ATOM 376 H HIS 41 40.646 25.939 4.316 1.00 25.00 H ATOM 377 HD1 HIS 41 38.325 28.007 8.556 1.00 25.00 H ATOM 378 HE2 HIS 41 39.322 31.775 7.620 1.00 25.00 H ATOM 379 N TYR 42 41.552 25.147 7.911 1.00 20.35 N ATOM 380 CA TYR 42 41.446 24.037 8.855 1.00 21.63 C ATOM 381 C TYR 42 42.296 24.262 10.108 1.00 19.17 C ATOM 382 O TYR 42 43.143 25.147 10.150 1.00 22.66 O ATOM 383 CB TYR 42 41.920 22.745 8.173 1.00 18.99 C ATOM 384 CG TYR 42 43.362 22.822 7.737 1.00 18.70 C ATOM 385 CD1 TYR 42 44.397 22.548 8.634 1.00 20.99 C ATOM 386 CD2 TYR 42 43.691 23.261 6.471 1.00 20.66 C ATOM 387 CE1 TYR 42 45.715 22.722 8.285 1.00 21.47 C ATOM 388 CE2 TYR 42 45.007 23.434 6.103 1.00 26.53 C ATOM 389 CZ TYR 42 46.017 23.162 7.015 1.00 26.50 C ATOM 390 OH TYR 42 47.331 23.309 6.634 1.00 31.23 O ATOM 391 H TYR 42 42.435 25.565 7.800 1.00 25.00 H ATOM 392 HH TYR 42 47.352 23.601 5.717 1.00 25.00 H ATOM 393 N THR 43 42.096 23.410 11.101 1.00 22.37 N ATOM 394 CA THR 43 42.852 23.471 12.341 1.00 22.26 C ATOM 395 C THR 43 43.717 22.231 12.339 1.00 22.98 C ATOM 396 O THR 43 43.211 21.105 12.300 1.00 22.84 O ATOM 397 CB THR 43 41.953 23.382 13.553 1.00 24.68 C ATOM 398 OG1 THR 43 41.007 24.454 13.519 1.00 27.10 O ATOM 399 CG2 THR 43 42.788 23.465 14.824 1.00 24.07 C ATOM 400 H THR 43 41.402 22.725 11.021 1.00 25.00 H ATOM 401 HG1 THR 43 40.269 24.247 14.102 1.00 25.00 H ATOM 402 N PRO 44 45.032 22.418 12.328 1.00 22.51 N ATOM 403 CA PRO 44 45.925 21.263 12.324 1.00 25.24 C ATOM 404 C PRO 44 45.686 20.437 13.578 1.00 28.21 C ATOM 405 O PRO 44 45.528 21.000 14.666 1.00 30.56 O ATOM 406 CB PRO 44 47.310 21.911 12.341 1.00 21.51 C ATOM 407 CG PRO 44 47.067 23.224 13.069 1.00 23.90 C ATOM 408 CD PRO 44 45.785 23.681 12.432 1.00 24.56 C ATOM 409 N LYS 45 45.576 19.123 13.425 1.00 27.27 N ATOM 410 CA LYS 45 45.389 18.256 14.580 1.00 31.49 C ATOM 411 C LYS 45 46.378 17.113 14.544 1.00 32.00 C ATOM 412 O LYS 45 46.963 16.821 13.510 1.00 31.82 O ATOM 413 CB LYS 45 43.968 17.711 14.678 1.00 32.33 C ATOM 414 CG LYS 45 43.003 18.635 15.416 1.00 38.00 C ATOM 415 CD LYS 45 42.183 17.867 16.440 1.00 43.77 C ATOM 416 CE LYS 45 41.589 16.593 15.832 1.00 47.81 C ATOM 417 NZ LYS 45 40.899 15.741 16.837 1.00 50.86 N ATOM 418 H LYS 45 45.670 18.722 12.539 1.00 25.00 H ATOM 419 1HZ LYS 45 41.592 15.477 17.567 1.00 25.00 H ATOM 420 2HZ LYS 45 40.126 16.279 17.277 1.00 25.00 H ATOM 421 3HZ LYS 45 40.525 14.882 16.386 1.00 25.00 H ATOM 422 N ILE 46 46.631 16.537 15.706 1.00 33.45 N ATOM 423 CA ILE 46 47.541 15.419 15.815 1.00 36.75 C ATOM 424 C ILE 46 46.740 14.361 16.539 1.00 40.96 C ATOM 425 O ILE 46 46.162 14.629 17.598 1.00 41.13 O ATOM 426 CB ILE 46 48.804 15.797 16.606 1.00 36.11 C ATOM 427 CG1 ILE 46 49.626 16.806 15.787 1.00 35.59 C ATOM 428 CG2 ILE 46 49.618 14.543 16.924 1.00 36.03 C ATOM 429 CD1 ILE 46 50.802 17.404 16.504 1.00 30.76 C ATOM 430 H ILE 46 46.183 16.827 16.525 1.00 25.00 H ATOM 431 N VAL 47 46.612 13.203 15.901 1.00 46.22 N ATOM 432 CA VAL 47 45.850 12.086 16.450 1.00 48.14 C ATOM 433 C VAL 47 46.670 10.805 16.305 1.00 51.39 C ATOM 434 O VAL 47 47.439 10.722 15.332 1.00 50.38 O ATOM 435 CB VAL 47 44.476 11.931 15.730 1.00 46.17 C ATOM 436 CG1 VAL 47 43.518 13.050 16.150 1.00 45.74 C ATOM 437 CG2 VAL 47 44.660 11.972 14.229 1.00 44.18 C ATOM 438 H VAL 47 47.081 13.021 15.056 1.00 25.00 H ATOM 439 N GLY 52 49.107 5.472 14.649 1.00 85.19 N ATOM 440 CA GLY 52 50.171 6.158 15.417 1.00 84.97 C ATOM 441 C GLY 52 49.691 7.574 15.642 1.00 83.62 C ATOM 442 O GLY 52 48.489 7.779 15.829 1.00 85.08 O ATOM 443 1H GLY 52 48.945 6.076 13.815 1.00 25.00 H ATOM 444 2H GLY 52 49.311 4.490 14.400 1.00 25.00 H ATOM 445 3H GLY 52 48.264 5.603 15.253 1.00 25.00 H ATOM 446 N PHE 53 50.611 8.536 15.594 1.00 79.59 N ATOM 447 CA PHE 53 50.267 9.940 15.770 1.00 73.43 C ATOM 448 C PHE 53 50.437 10.586 14.401 1.00 70.44 C ATOM 449 O PHE 53 51.559 10.886 13.977 1.00 72.73 O ATOM 450 CB PHE 53 51.181 10.601 16.802 1.00 71.36 C ATOM 451 H PHE 53 51.550 8.372 15.364 1.00 25.00 H ATOM 452 N ILE 54 49.350 10.634 13.643 1.00 63.30 N ATOM 453 CA ILE 54 49.385 11.244 12.332 1.00 55.69 C ATOM 454 C ILE 54 48.968 12.700 12.444 1.00 49.69 C ATOM 455 O ILE 54 48.429 13.148 13.463 1.00 44.89 O ATOM 456 CB ILE 54 48.459 10.527 11.307 1.00 57.66 C ATOM 457 CG1 ILE 54 46.994 10.694 11.682 1.00 56.79 C ATOM 458 CG2 ILE 54 48.775 9.045 11.240 1.00 60.58 C ATOM 459 CD1 ILE 54 46.081 10.321 10.560 1.00 57.40 C ATOM 460 H ILE 54 48.518 10.243 13.951 1.00 25.00 H ATOM 461 N ASN 55 49.252 13.436 11.380 1.00 43.81 N ATOM 462 CA ASN 55 48.920 14.839 11.288 1.00 37.54 C ATOM 463 C ASN 55 47.642 14.933 10.466 1.00 29.93 C ATOM 464 O ASN 55 47.560 14.354 9.390 1.00 30.65 O ATOM 465 CB ASN 55 50.049 15.578 10.584 1.00 43.50 C ATOM 466 CG ASN 55 50.697 16.616 11.462 1.00 48.07 C ATOM 467 OD1 ASN 55 50.046 17.565 11.922 1.00 53.83 O ATOM 468 ND2 ASN 55 51.993 16.467 11.679 1.00 49.34 N ATOM 469 H ASN 55 49.688 13.011 10.619 1.00 25.00 H ATOM 470 1HD2 ASN 55 52.388 17.161 12.246 1.00 25.00 H ATOM 471 2HD2 ASN 55 52.485 15.724 11.284 1.00 25.00 H ATOM 472 N THR 56 46.641 15.633 10.978 1.00 24.22 N ATOM 473 CA THR 56 45.380 15.765 10.271 1.00 22.03 C ATOM 474 C THR 56 44.959 17.217 10.171 1.00 18.44 C ATOM 475 O THR 56 45.540 18.098 10.795 1.00 22.47 O ATOM 476 CB THR 56 44.238 14.941 10.943 1.00 21.64 C ATOM 477 OG1 THR 56 43.974 15.449 12.251 1.00 25.33 O ATOM 478 CG2 THR 56 44.606 13.468 11.037 1.00 20.30 C ATOM 479 H THR 56 46.764 16.123 11.812 1.00 25.00 H ATOM 480 HG1 THR 56 44.780 15.347 12.771 1.00 25.00 H ATOM 481 N LYS 57 43.976 17.468 9.330 1.00 14.61 N ATOM 482 CA LYS 57 43.452 18.802 9.137 1.00 12.42 C ATOM 483 C LYS 57 42.001 18.685 9.544 1.00 15.39 C ATOM 484 O LYS 57 41.272 17.813 9.043 1.00 14.80 O ATOM 485 CB LYS 57 43.536 19.185 7.675 1.00 13.67 C ATOM 486 CG LYS 57 44.944 19.357 7.140 1.00 14.97 C ATOM 487 CD LYS 57 44.900 19.595 5.642 1.00 16.03 C ATOM 488 CE LYS 57 46.287 19.712 5.046 1.00 22.00 C ATOM 489 NZ LYS 57 46.265 19.633 3.552 1.00 24.46 N ATOM 490 H LYS 57 43.570 16.728 8.828 1.00 25.00 H ATOM 491 1HZ LYS 57 45.666 20.394 3.175 1.00 25.00 H ATOM 492 2HZ LYS 57 47.234 19.750 3.194 1.00 25.00 H ATOM 493 3HZ LYS 57 45.893 18.709 3.254 1.00 25.00 H ATOM 494 N GLU 58 41.600 19.509 10.501 1.00 15.62 N ATOM 495 CA GLU 58 40.236 19.487 10.980 1.00 15.69 C ATOM 496 C GLU 58 39.401 20.588 10.358 1.00 15.64 C ATOM 497 O GLU 58 39.782 21.751 10.386 1.00 15.46 O ATOM 498 CB GLU 58 40.194 19.606 12.497 1.00 17.17 C ATOM 499 CG GLU 58 38.832 19.279 13.064 1.00 20.13 C ATOM 500 CD GLU 58 38.798 19.339 14.571 1.00 28.91 C ATOM 501 OE1 GLU 58 38.794 20.472 15.122 1.00 30.82 O ATOM 502 OE2 GLU 58 38.772 18.248 15.197 1.00 31.00 O ATOM 503 H GLU 58 42.230 20.133 10.915 1.00 25.00 H ATOM 504 N TYR 59 38.277 20.193 9.768 1.00 14.29 N ATOM 505 CA TYR 59 37.336 21.105 9.135 1.00 14.13 C ATOM 506 C TYR 59 36.040 21.019 9.935 1.00 13.66 C ATOM 507 O TYR 59 35.593 19.944 10.315 1.00 22.63 O ATOM 508 CB TYR 59 37.102 20.708 7.664 1.00 11.22 C ATOM 509 CG TYR 59 38.355 20.763 6.821 1.00 10.55 C ATOM 510 CD1 TYR 59 39.202 19.665 6.733 1.00 7.85 C ATOM 511 CD2 TYR 59 38.707 21.919 6.125 1.00 10.04 C ATOM 512 CE1 TYR 59 40.367 19.710 5.981 1.00 7.55 C ATOM 513 CE2 TYR 59 39.873 21.966 5.366 1.00 9.71 C ATOM 514 CZ TYR 59 40.690 20.851 5.301 1.00 10.57 C ATOM 515 OH TYR 59 41.816 20.845 4.517 1.00 13.73 O ATOM 516 H TYR 59 38.061 19.238 9.765 1.00 25.00 H ATOM 517 HH TYR 59 42.399 20.158 4.848 1.00 25.00 H ATOM 518 N LYS 60 35.438 22.153 10.217 1.00 16.25 N ATOM 519 CA LYS 60 34.221 22.139 10.990 1.00 21.19 C ATOM 520 C LYS 60 33.132 22.755 10.140 1.00 20.71 C ATOM 521 O LYS 60 33.429 23.486 9.199 1.00 23.43 O ATOM 522 CB LYS 60 34.424 22.939 12.284 1.00 22.92 C ATOM 523 H LYS 60 35.766 23.002 9.857 1.00 25.00 H ATOM 524 N ASN 61 31.886 22.388 10.406 1.00 22.31 N ATOM 525 CA ASN 61 30.768 22.956 9.670 1.00 23.05 C ATOM 526 C ASN 61 30.777 22.558 8.173 1.00 22.09 C ATOM 527 O ASN 61 30.352 23.318 7.312 1.00 26.33 O ATOM 528 CB ASN 61 30.806 24.471 9.863 1.00 28.14 C ATOM 529 CG ASN 61 29.551 25.155 9.413 1.00 35.47 C ATOM 530 OD1 ASN 61 28.504 24.524 9.255 1.00 42.73 O ATOM 531 ND2 ASN 61 29.628 26.472 9.246 1.00 37.83 N ATOM 532 H ASN 61 31.714 21.710 11.086 1.00 25.00 H ATOM 533 1HD2 ASN 61 28.813 26.918 8.946 1.00 25.00 H ATOM 534 2HD2 ASN 61 30.482 26.912 9.425 1.00 25.00 H ATOM 535 N VAL 62 31.239 21.344 7.882 1.00 18.44 N ATOM 536 CA VAL 62 31.298 20.807 6.513 1.00 17.73 C ATOM 537 C VAL 62 29.987 20.110 6.145 1.00 16.74 C ATOM 538 O VAL 62 29.405 19.365 6.948 1.00 15.95 O ATOM 539 CB VAL 62 32.451 19.783 6.371 1.00 15.75 C ATOM 540 CG1 VAL 62 32.535 19.239 4.970 1.00 17.40 C ATOM 541 CG2 VAL 62 33.755 20.438 6.727 1.00 19.46 C ATOM 542 H VAL 62 31.548 20.783 8.615 1.00 25.00 H ATOM 543 N GLU 63 29.528 20.351 4.927 1.00 16.39 N ATOM 544 CA GLU 63 28.305 19.732 4.454 1.00 21.09 C ATOM 545 C GLU 63 28.596 18.331 3.922 1.00 18.14 C ATOM 546 O GLU 63 29.440 18.156 3.029 1.00 15.98 O ATOM 547 CB GLU 63 27.672 20.554 3.328 1.00 28.17 C ATOM 548 CG GLU 63 26.341 19.966 2.834 1.00 36.10 C ATOM 549 CD GLU 63 25.894 20.532 1.499 1.00 42.62 C ATOM 550 OE1 GLU 63 25.722 21.769 1.405 1.00 43.39 O ATOM 551 OE2 GLU 63 25.714 19.735 0.549 1.00 47.38 O ATOM 552 H GLU 63 30.019 20.962 4.348 1.00 25.00 H ATOM 553 N VAL 64 27.930 17.336 4.500 1.00 19.60 N ATOM 554 CA VAL 64 28.081 15.961 4.059 1.00 16.25 C ATOM 555 C VAL 64 26.689 15.381 3.749 1.00 16.51 C ATOM 556 O VAL 64 25.683 15.740 4.368 1.00 13.72 O ATOM 557 CB VAL 64 28.979 15.056 5.042 1.00 21.95 C ATOM 558 CG1 VAL 64 29.556 15.838 6.226 1.00 16.23 C ATOM 559 CG2 VAL 64 28.260 13.770 5.488 1.00 18.82 C ATOM 560 H VAL 64 27.301 17.530 5.227 1.00 25.00 H ATOM 561 N GLU 65 26.616 14.599 2.684 1.00 17.82 N ATOM 562 CA GLU 65 25.367 13.984 2.288 1.00 19.92 C ATOM 563 C GLU 65 25.618 12.510 2.166 1.00 14.47 C ATOM 564 O GLU 65 26.515 12.076 1.454 1.00 13.65 O ATOM 565 CB GLU 65 24.889 14.557 0.968 1.00 24.06 C ATOM 566 CG GLU 65 24.798 16.043 1.018 1.00 32.54 C ATOM 567 CD GLU 65 24.338 16.605 -0.279 1.00 39.60 C ATOM 568 OE1 GLU 65 23.166 16.338 -0.634 1.00 42.43 O ATOM 569 OE2 GLU 65 25.155 17.292 -0.939 1.00 41.85 O ATOM 570 H GLU 65 27.414 14.427 2.147 1.00 25.00 H ATOM 571 N VAL 66 24.842 11.744 2.910 1.00 17.93 N ATOM 572 CA VAL 66 24.991 10.307 2.937 1.00 16.27 C ATOM 573 C VAL 66 23.678 9.749 3.461 1.00 17.43 C ATOM 574 O VAL 66 22.974 10.421 4.222 1.00 16.65 O ATOM 575 CB VAL 66 26.204 9.918 3.866 1.00 16.42 C ATOM 576 CG1 VAL 66 25.982 10.422 5.280 1.00 16.40 C ATOM 577 CG2 VAL 66 26.459 8.411 3.855 1.00 14.11 C ATOM 578 H VAL 66 24.128 12.148 3.459 1.00 25.00 H ATOM 579 N LEU 67 23.279 8.593 2.946 1.00 19.38 N ATOM 580 CA LEU 67 22.054 7.915 3.397 1.00 21.81 C ATOM 581 C LEU 67 20.773 8.742 3.322 1.00 22.52 C ATOM 582 O LEU 67 19.873 8.562 4.148 1.00 25.76 O ATOM 583 CB LEU 67 22.229 7.422 4.840 1.00 23.34 C ATOM 584 CG LEU 67 23.359 6.426 5.076 1.00 23.58 C ATOM 585 CD1 LEU 67 23.602 6.240 6.573 1.00 25.15 C ATOM 586 CD2 LEU 67 22.979 5.135 4.394 1.00 24.48 C ATOM 587 H LEU 67 23.850 8.196 2.250 1.00 25.00 H ATOM 588 N GLY 68 20.692 9.656 2.364 1.00 18.92 N ATOM 589 CA GLY 68 19.487 10.453 2.237 1.00 17.94 C ATOM 590 C GLY 68 19.403 11.663 3.141 1.00 18.22 C ATOM 591 O GLY 68 18.423 12.396 3.087 1.00 25.54 O ATOM 592 H GLY 68 21.445 9.802 1.761 1.00 25.00 H ATOM 593 N LYS 69 20.426 11.893 3.960 1.00 21.97 N ATOM 594 CA LYS 69 20.454 13.050 4.865 1.00 18.12 C ATOM 595 C LYS 69 21.554 14.020 4.434 1.00 22.33 C ATOM 596 O LYS 69 22.516 13.633 3.768 1.00 21.90 O ATOM 597 CB LYS 69 20.734 12.622 6.306 1.00 13.87 C ATOM 598 CG LYS 69 20.264 11.231 6.658 1.00 17.90 C ATOM 599 CD LYS 69 19.526 11.231 7.952 1.00 21.85 C ATOM 600 CE LYS 69 19.150 9.823 8.352 1.00 27.48 C ATOM 601 NZ LYS 69 17.946 9.833 9.238 1.00 28.58 N ATOM 602 H LYS 69 21.197 11.292 3.974 1.00 25.00 H ATOM 603 1HZ LYS 69 18.137 10.437 10.064 1.00 25.00 H ATOM 604 2HZ LYS 69 17.130 10.209 8.718 1.00 25.00 H ATOM 605 3HZ LYS 69 17.741 8.865 9.561 1.00 25.00 H ATOM 606 N ARG 70 21.391 15.289 4.791 1.00 22.45 N ATOM 607 CA ARG 70 22.386 16.294 4.480 1.00 22.92 C ATOM 608 C ARG 70 22.640 16.935 5.825 1.00 23.21 C ATOM 609 O ARG 70 21.719 17.476 6.426 1.00 28.71 O ATOM 610 CB ARG 70 21.855 17.333 3.489 1.00 24.72 C ATOM 611 CG ARG 70 22.928 18.348 3.103 1.00 34.98 C ATOM 612 CD ARG 70 22.446 19.379 2.100 1.00 43.55 C ATOM 613 NE ARG 70 22.184 18.793 0.790 1.00 51.17 N ATOM 614 CZ ARG 70 20.968 18.640 0.271 1.00 57.06 C ATOM 615 NH1 ARG 70 19.895 19.056 0.942 1.00 59.04 N ATOM 616 NH2 ARG 70 20.824 18.086 -0.931 1.00 58.91 N ATOM 617 H ARG 70 20.604 15.575 5.296 1.00 25.00 H ATOM 618 HE ARG 70 22.949 18.503 0.256 1.00 25.00 H ATOM 619 1HH1 ARG 70 19.991 19.492 1.837 1.00 25.00 H ATOM 620 2HH1 ARG 70 18.986 18.945 0.540 1.00 25.00 H ATOM 621 1HH2 ARG 70 21.628 17.786 -1.443 1.00 25.00 H ATOM 622 2HH2 ARG 70 19.910 17.977 -1.321 1.00 25.00 H ATOM 623 N ILE 71 23.861 16.815 6.329 1.00 20.92 N ATOM 624 CA ILE 71 24.210 17.387 7.622 1.00 16.01 C ATOM 625 C ILE 71 25.441 18.268 7.503 1.00 15.55 C ATOM 626 O ILE 71 26.055 18.345 6.441 1.00 15.38 O ATOM 627 CB ILE 71 24.532 16.277 8.671 1.00 17.30 C ATOM 628 CG1 ILE 71 25.623 15.343 8.153 1.00 17.72 C ATOM 629 CG2 ILE 71 23.305 15.450 9.009 1.00 18.53 C ATOM 630 CD1 ILE 71 26.155 14.444 9.234 1.00 19.89 C ATOM 631 H ILE 71 24.559 16.371 5.802 1.00 25.00 H ATOM 632 N LYS 72 25.747 18.990 8.578 1.00 16.15 N ATOM 633 CA LYS 72 26.952 19.810 8.649 1.00 18.53 C ATOM 634 C LYS 72 27.665 19.210 9.849 1.00 20.32 C ATOM 635 O LYS 72 27.032 18.884 10.864 1.00 21.96 O ATOM 636 CB LYS 72 26.646 21.287 8.906 1.00 21.27 C ATOM 637 CG LYS 72 25.609 21.857 7.966 1.00 31.54 C ATOM 638 CD LYS 72 25.814 23.327 7.675 1.00 36.52 C ATOM 639 CE LYS 72 26.655 23.504 6.413 1.00 40.55 C ATOM 640 NZ LYS 72 26.628 24.911 5.891 1.00 45.44 N ATOM 641 H LYS 72 25.185 18.964 9.376 1.00 25.00 H ATOM 642 1HZ LYS 72 25.639 25.156 5.683 1.00 25.00 H ATOM 643 2HZ LYS 72 27.003 25.560 6.611 1.00 25.00 H ATOM 644 3HZ LYS 72 27.190 24.974 5.020 1.00 25.00 H ATOM 645 N GLY 73 28.964 19.005 9.728 1.00 20.17 N ATOM 646 CA GLY 73 29.687 18.427 10.836 1.00 18.11 C ATOM 647 C GLY 73 31.159 18.673 10.740 1.00 16.10 C ATOM 648 O GLY 73 31.604 19.494 9.954 1.00 19.57 O ATOM 649 H GLY 73 29.432 19.227 8.893 1.00 25.00 H ATOM 650 N THR 74 31.911 17.979 11.571 1.00 14.79 N ATOM 651 CA THR 74 33.344 18.105 11.589 1.00 17.64 C ATOM 652 C THR 74 33.951 16.857 11.002 1.00 16.28 C ATOM 653 O THR 74 33.469 15.758 11.228 1.00 16.68 O ATOM 654 CB THR 74 33.790 18.253 13.007 1.00 19.30 C ATOM 655 OG1 THR 74 33.021 19.303 13.569 1.00 22.91 O ATOM 656 CG2 THR 74 35.254 18.612 13.080 1.00 19.24 C ATOM 657 H THR 74 31.533 17.346 12.216 1.00 25.00 H ATOM 658 HG1 THR 74 33.252 20.112 13.117 1.00 25.00 H ATOM 659 N ILE 75 35.018 17.030 10.249 1.00 16.74 N ATOM 660 CA ILE 75 35.675 15.903 9.628 1.00 19.97 C ATOM 661 C ILE 75 37.158 16.243 9.557 1.00 17.68 C ATOM 662 O ILE 75 37.527 17.412 9.494 1.00 16.35 O ATOM 663 CB ILE 75 35.070 15.648 8.194 1.00 23.09 C ATOM 664 CG1 ILE 75 35.663 14.401 7.540 1.00 25.94 C ATOM 665 CG2 ILE 75 35.239 16.860 7.313 1.00 20.47 C ATOM 666 CD1 ILE 75 35.113 13.087 8.091 1.00 26.74 C ATOM 667 H ILE 75 35.397 17.927 10.105 1.00 25.00 H ATOM 668 N MET 76 38.001 15.220 9.627 1.00 16.76 N ATOM 669 CA MET 76 39.443 15.396 9.541 1.00 20.39 C ATOM 670 C MET 76 39.913 14.718 8.268 1.00 14.24 C ATOM 671 O MET 76 39.382 13.668 7.895 1.00 17.33 O ATOM 672 CB MET 76 40.146 14.691 10.708 1.00 21.38 C ATOM 673 CG MET 76 40.027 15.365 12.074 1.00 26.66 C ATOM 674 SD MET 76 40.880 14.380 13.306 1.00 29.68 S ATOM 675 CE MET 76 39.518 13.536 13.941 1.00 32.61 C ATOM 676 H MET 76 37.668 14.303 9.710 1.00 25.00 H ATOM 677 N THR 77 40.887 15.305 7.591 1.00 10.79 N ATOM 678 CA THR 77 41.424 14.656 6.407 1.00 16.10 C ATOM 679 C THR 77 42.879 14.332 6.730 1.00 17.31 C ATOM 680 O THR 77 43.510 15.075 7.470 1.00 19.41 O ATOM 681 CB THR 77 41.365 15.548 5.131 1.00 13.92 C ATOM 682 OG1 THR 77 42.138 16.737 5.336 1.00 14.13 O ATOM 683 CG2 THR 77 39.902 15.886 4.730 1.00 7.98 C ATOM 684 H THR 77 41.266 16.163 7.872 1.00 25.00 H ATOM 685 HG1 THR 77 42.436 16.931 4.439 1.00 25.00 H ATOM 686 N GLY 78 43.384 13.206 6.236 1.00 16.85 N ATOM 687 CA GLY 78 44.765 12.822 6.480 1.00 17.94 C ATOM 688 C GLY 78 44.977 11.373 6.095 1.00 25.15 C ATOM 689 O GLY 78 44.022 10.694 5.714 1.00 28.06 O ATOM 690 H GLY 78 42.824 12.588 5.712 1.00 25.00 H ATOM 691 N ASP 79 46.222 10.903 6.196 1.00 32.06 N ATOM 692 CA ASP 79 46.598 9.524 5.865 1.00 35.10 C ATOM 693 C ASP 79 45.910 8.493 6.734 1.00 35.15 C ATOM 694 O ASP 79 46.291 8.248 7.877 1.00 39.11 O ATOM 695 CB ASP 79 48.110 9.308 5.985 1.00 41.42 C ATOM 696 CG ASP 79 48.894 9.918 4.830 1.00 50.91 C ATOM 697 OD1 ASP 79 48.327 10.723 4.049 1.00 52.91 O ATOM 698 OD2 ASP 79 50.096 9.583 4.707 1.00 56.12 O ATOM 699 H ASP 79 46.900 11.529 6.519 1.00 25.00 H ATOM 700 N THR 80 44.888 7.883 6.175 1.00 31.85 N ATOM 701 CA THR 80 44.161 6.862 6.869 1.00 29.19 C ATOM 702 C THR 80 44.007 5.694 5.871 1.00 30.30 C ATOM 703 O THR 80 43.829 5.901 4.668 1.00 29.29 O ATOM 704 CB THR 80 42.810 7.424 7.403 1.00 24.96 C ATOM 705 OG1 THR 80 42.110 6.406 8.126 1.00 29.26 O ATOM 706 CG2 THR 80 41.935 7.944 6.273 1.00 23.04 C ATOM 707 H THR 80 44.594 8.127 5.273 1.00 25.00 H ATOM 708 HG1 THR 80 41.592 5.915 7.501 1.00 25.00 H ATOM 709 N PRO 81 44.239 4.459 6.333 1.00 30.78 N ATOM 710 CA PRO 81 44.094 3.329 5.412 1.00 26.85 C ATOM 711 C PRO 81 42.643 3.084 5.037 1.00 27.44 C ATOM 712 O PRO 81 42.359 2.526 3.982 1.00 29.56 O ATOM 713 CB PRO 81 44.665 2.159 6.216 1.00 28.37 C ATOM 714 CG PRO 81 44.465 2.579 7.663 1.00 29.26 C ATOM 715 CD PRO 81 44.806 4.034 7.628 1.00 28.78 C ATOM 716 N ILE 82 41.728 3.500 5.912 1.00 25.97 N ATOM 717 CA ILE 82 40.294 3.320 5.707 1.00 24.33 C ATOM 718 C ILE 82 39.624 4.674 5.960 1.00 19.97 C ATOM 719 O ILE 82 40.074 5.416 6.813 1.00 23.54 O ATOM 720 CB ILE 82 39.706 2.306 6.753 1.00 27.63 C ATOM 721 CG1 ILE 82 40.762 1.291 7.196 1.00 33.11 C ATOM 722 CG2 ILE 82 38.526 1.544 6.167 1.00 27.74 C ATOM 723 CD1 ILE 82 41.131 0.247 6.142 1.00 40.25 C ATOM 724 H ILE 82 42.004 3.968 6.725 1.00 25.00 H ATOM 725 N ASN 83 38.588 5.008 5.200 1.00 16.30 N ATOM 726 CA ASN 83 37.858 6.257 5.395 1.00 14.98 C ATOM 727 C ASN 83 36.787 5.868 6.377 1.00 12.88 C ATOM 728 O ASN 83 36.000 4.966 6.102 1.00 14.61 O ATOM 729 CB ASN 83 37.179 6.702 4.115 1.00 12.30 C ATOM 730 CG ASN 83 38.144 7.158 3.089 1.00 12.08 C ATOM 731 OD1 ASN 83 39.173 7.741 3.411 1.00 10.66 O ATOM 732 ND2 ASN 83 37.831 6.894 1.838 1.00 13.31 N ATOM 733 H ASN 83 38.280 4.384 4.516 1.00 25.00 H ATOM 734 1HD2 ASN 83 38.420 7.196 1.130 1.00 25.00 H ATOM 735 2HD2 ASN 83 36.992 6.399 1.684 1.00 25.00 H ATOM 736 N ILE 84 36.724 6.544 7.508 1.00 13.07 N ATOM 737 CA ILE 84 35.761 6.129 8.502 1.00 13.86 C ATOM 738 C ILE 84 34.878 7.228 9.033 1.00 12.07 C ATOM 739 O ILE 84 35.321 8.353 9.255 1.00 12.05 O ATOM 740 CB ILE 84 36.448 5.410 9.723 1.00 21.00 C ATOM 741 CG1 ILE 84 37.304 6.380 10.488 1.00 27.36 C ATOM 742 CG2 ILE 84 37.406 4.291 9.296 1.00 14.73 C ATOM 743 CD1 ILE 84 36.805 6.569 11.868 1.00 37.09 C ATOM 744 H ILE 84 37.314 7.313 7.678 1.00 25.00 H ATOM 745 N PHE 85 33.599 6.911 9.160 1.00 11.98 N ATOM 746 CA PHE 85 32.640 7.840 9.739 1.00 13.46 C ATOM 747 C PHE 85 32.462 7.272 11.139 1.00 11.87 C ATOM 748 O PHE 85 31.937 6.165 11.277 1.00 13.63 O ATOM 749 CB PHE 85 31.303 7.811 8.974 1.00 11.85 C ATOM 750 CG PHE 85 31.175 8.876 7.919 1.00 11.68 C ATOM 751 CD1 PHE 85 32.305 9.510 7.401 1.00 10.84 C ATOM 752 CD2 PHE 85 29.921 9.243 7.441 1.00 13.75 C ATOM 753 CE1 PHE 85 32.193 10.486 6.428 1.00 10.88 C ATOM 754 CE2 PHE 85 29.796 10.228 6.457 1.00 17.14 C ATOM 755 CZ PHE 85 30.935 10.847 5.952 1.00 11.68 C ATOM 756 H PHE 85 33.286 6.031 8.898 1.00 25.00 H ATOM 757 N GLY 86 32.994 7.980 12.136 1.00 12.20 N ATOM 758 CA GLY 86 32.899 7.561 13.526 1.00 10.63 C ATOM 759 C GLY 86 31.634 8.054 14.197 1.00 10.85 C ATOM 760 O GLY 86 30.776 8.677 13.560 1.00 13.64 O ATOM 761 H GLY 86 33.464 8.801 11.910 1.00 25.00 H ATOM 762 N ARG 87 31.524 7.821 15.501 1.00 12.79 N ATOM 763 CA ARG 87 30.340 8.212 16.273 1.00 11.73 C ATOM 764 C ARG 87 29.950 9.692 16.251 1.00 12.38 C ATOM 765 O ARG 87 28.773 10.022 16.434 1.00 13.95 O ATOM 766 CB ARG 87 30.465 7.721 17.706 1.00 15.14 C ATOM 767 CG ARG 87 30.427 6.201 17.844 1.00 13.95 C ATOM 768 CD ARG 87 30.447 5.761 19.326 1.00 15.07 C ATOM 769 NE ARG 87 31.612 6.271 20.043 1.00 13.30 N ATOM 770 CZ ARG 87 31.582 7.308 20.872 1.00 16.50 C ATOM 771 NH1 ARG 87 30.451 7.966 21.089 1.00 15.95 N ATOM 772 NH2 ARG 87 32.695 7.699 21.478 1.00 21.04 N ATOM 773 H ARG 87 32.256 7.360 15.944 1.00 25.00 H ATOM 774 HE ARG 87 32.485 5.894 19.876 1.00 25.00 H ATOM 775 1HH1 ARG 87 29.608 7.688 20.629 1.00 25.00 H ATOM 776 2HH1 ARG 87 30.445 8.740 21.720 1.00 25.00 H ATOM 777 1HH2 ARG 87 33.541 7.203 21.312 1.00 25.00 H ATOM 778 2HH2 ARG 87 32.684 8.475 22.109 1.00 25.00 H ATOM 779 N ASN 88 30.912 10.587 16.036 1.00 14.77 N ATOM 780 CA ASN 88 30.601 12.026 15.966 1.00 15.57 C ATOM 781 C ASN 88 29.696 12.342 14.760 1.00 17.48 C ATOM 782 O ASN 88 28.905 13.290 14.809 1.00 20.43 O ATOM 783 CB ASN 88 31.872 12.868 15.924 1.00 16.07 C ATOM 784 CG ASN 88 32.566 12.813 14.585 1.00 17.83 C ATOM 785 OD1 ASN 88 32.948 11.741 14.109 1.00 17.54 O ATOM 786 ND2 ASN 88 32.742 13.969 13.970 1.00 17.48 N ATOM 787 H ASN 88 31.843 10.285 15.943 1.00 25.00 H ATOM 788 1HD2 ASN 88 33.188 13.971 13.095 1.00 25.00 H ATOM 789 2HD2 ASN 88 32.434 14.799 14.390 1.00 25.00 H ATOM 790 N LEU 89 29.800 11.553 13.689 1.00 12.20 N ATOM 791 CA LEU 89 28.930 11.739 12.527 1.00 10.70 C ATOM 792 C LEU 89 27.733 10.782 12.593 1.00 9.73 C ATOM 793 O LEU 89 26.633 11.105 12.151 1.00 12.88 O ATOM 794 CB LEU 89 29.701 11.550 11.213 1.00 13.28 C ATOM 795 CG LEU 89 30.684 12.685 10.898 1.00 12.04 C ATOM 796 CD1 LEU 89 31.295 12.485 9.525 1.00 15.77 C ATOM 797 CD2 LEU 89 29.961 14.010 10.931 1.00 12.79 C ATOM 798 H LEU 89 30.470 10.834 13.672 1.00 25.00 H ATOM 799 N LEU 90 27.934 9.591 13.133 1.00 9.85 N ATOM 800 CA LEU 90 26.821 8.659 13.251 1.00 10.25 C ATOM 801 C LEU 90 25.671 9.237 14.076 1.00 13.02 C ATOM 802 O LEU 90 24.511 9.043 13.733 1.00 13.53 O ATOM 803 CB LEU 90 27.289 7.335 13.849 1.00 11.83 C ATOM 804 CG LEU 90 28.366 6.608 13.035 1.00 13.03 C ATOM 805 CD1 LEU 90 28.745 5.290 13.708 1.00 14.32 C ATOM 806 CD2 LEU 90 27.863 6.340 11.642 1.00 13.16 C ATOM 807 H LEU 90 28.835 9.333 13.420 1.00 25.00 H ATOM 808 N THR 91 25.986 9.949 15.160 1.00 14.83 N ATOM 809 CA THR 91 24.965 10.578 16.015 1.00 13.77 C ATOM 810 C THR 91 24.297 11.764 15.325 1.00 12.10 C ATOM 811 O THR 91 23.079 11.939 15.399 1.00 16.20 O ATOM 812 CB THR 91 25.542 11.036 17.369 1.00 10.58 C ATOM 813 OG1 THR 91 26.687 11.863 17.154 1.00 15.20 O ATOM 814 CG2 THR 91 25.979 9.852 18.163 1.00 11.69 C ATOM 815 H THR 91 26.926 10.046 15.410 1.00 25.00 H ATOM 816 HG1 THR 91 27.460 11.324 16.950 1.00 25.00 H ATOM 817 N ALA 92 25.086 12.570 14.629 1.00 13.38 N ATOM 818 CA ALA 92 24.544 13.714 13.906 1.00 14.48 C ATOM 819 C ALA 92 23.591 13.209 12.799 1.00 14.91 C ATOM 820 O ALA 92 22.689 13.927 12.396 1.00 16.72 O ATOM 821 CB ALA 92 25.686 14.556 13.311 1.00 14.47 C ATOM 822 H ALA 92 26.051 12.404 14.617 1.00 25.00 H ATOM 823 N LEU 93 23.794 11.972 12.334 1.00 15.97 N ATOM 824 CA LEU 93 22.955 11.345 11.300 1.00 15.46 C ATOM 825 C LEU 93 21.787 10.585 11.893 1.00 15.04 C ATOM 826 O LEU 93 21.031 9.949 11.175 1.00 18.35 O ATOM 827 CB LEU 93 23.769 10.372 10.451 1.00 17.74 C ATOM 828 CG LEU 93 24.668 10.933 9.354 1.00 21.42 C ATOM 829 CD1 LEU 93 25.704 9.884 8.951 1.00 21.23 C ATOM 830 CD2 LEU 93 23.809 11.344 8.169 1.00 18.43 C ATOM 831 H LEU 93 24.557 11.461 12.674 1.00 25.00 H ATOM 832 N GLY 94 21.658 10.623 13.216 1.00 17.79 N ATOM 833 CA GLY 94 20.559 9.946 13.867 1.00 15.69 C ATOM 834 C GLY 94 20.601 8.439 13.784 1.00 18.65 C ATOM 835 O GLY 94 19.557 7.800 13.716 1.00 24.17 O ATOM 836 H GLY 94 22.295 11.122 13.760 1.00 25.00 H ATOM 837 N MET 95 21.794 7.857 13.820 1.00 18.65 N ATOM 838 CA MET 95 21.911 6.411 13.750 1.00 16.70 C ATOM 839 C MET 95 22.016 5.770 15.120 1.00 19.29 C ATOM 840 O MET 95 22.637 6.319 16.034 1.00 19.95 O ATOM 841 CB MET 95 23.123 6.009 12.930 1.00 17.12 C ATOM 842 CG MET 95 23.078 6.430 11.468 1.00 21.48 C ATOM 843 SD MET 95 24.438 5.689 10.588 1.00 27.77 S ATOM 844 CE MET 95 23.886 4.072 10.465 1.00 21.90 C ATOM 845 H MET 95 22.604 8.402 13.905 1.00 25.00 H ATOM 846 N SER 96 21.413 4.592 15.243 1.00 20.33 N ATOM 847 CA SER 96 21.454 3.810 16.471 1.00 18.59 C ATOM 848 C SER 96 21.716 2.342 16.146 1.00 20.07 C ATOM 849 O SER 96 21.619 1.918 14.991 1.00 18.37 O ATOM 850 CB SER 96 20.155 3.952 17.252 1.00 15.82 C ATOM 851 OG SER 96 19.038 3.560 16.478 1.00 20.48 O ATOM 852 H SER 96 20.904 4.209 14.500 1.00 25.00 H ATOM 853 HG SER 96 18.977 2.601 16.340 1.00 25.00 H ATOM 854 N LEU 97 22.109 1.590 17.167 1.00 19.79 N ATOM 855 CA LEU 97 22.380 0.166 17.049 1.00 18.74 C ATOM 856 C LEU 97 21.115 -0.478 17.596 1.00 21.23 C ATOM 857 O LEU 97 20.658 -0.132 18.678 1.00 23.85 O ATOM 858 CB LEU 97 23.597 -0.199 17.920 1.00 18.04 C ATOM 859 CG LEU 97 24.733 -1.108 17.448 1.00 18.57 C ATOM 860 CD1 LEU 97 24.829 -1.218 15.932 1.00 20.92 C ATOM 861 CD2 LEU 97 26.030 -0.588 18.027 1.00 16.80 C ATOM 862 H LEU 97 22.178 1.987 18.056 1.00 25.00 H ATOM 863 N ASN 98 20.517 -1.373 16.830 1.00 22.19 N ATOM 864 CA ASN 98 19.294 -2.017 17.261 1.00 21.46 C ATOM 865 C ASN 98 19.530 -3.453 17.506 1.00 19.93 C ATOM 866 O ASN 98 20.355 -4.061 16.838 1.00 21.43 O ATOM 867 CB ASN 98 18.200 -1.887 16.210 1.00 27.75 C ATOM 868 CG ASN 98 17.314 -0.730 16.477 1.00 36.08 C ATOM 869 OD1 ASN 98 17.745 0.435 16.419 1.00 38.56 O ATOM 870 ND2 ASN 98 16.081 -1.023 16.851 1.00 40.36 N ATOM 871 H ASN 98 20.911 -1.633 15.972 1.00 25.00 H ATOM 872 1HD2 ASN 98 15.481 -0.272 17.028 1.00 25.00 H ATOM 873 2HD2 ASN 98 15.827 -1.968 16.940 1.00 25.00 H ATOM 874 N PHE 99 18.769 -3.992 18.443 1.00 18.06 N ATOM 875 CA PHE 99 18.857 -5.383 18.804 1.00 19.94 C ATOM 876 C PHE 99 17.498 -5.806 19.348 1.00 22.56 C ATOM 877 O PHE 99 16.599 -4.933 19.474 1.00 26.01 O ATOM 878 CB PHE 99 19.975 -5.593 19.825 1.00 15.80 C ATOM 879 CG PHE 99 19.773 -4.859 21.123 1.00 16.28 C ATOM 880 CD1 PHE 99 20.058 -3.501 21.222 1.00 17.40 C ATOM 881 CD2 PHE 99 19.334 -5.545 22.263 1.00 16.59 C ATOM 882 CE1 PHE 99 19.913 -2.830 22.437 1.00 18.48 C ATOM 883 CE2 PHE 99 19.186 -4.891 23.478 1.00 15.07 C ATOM 884 CZ PHE 99 19.476 -3.530 23.570 1.00 17.13 C ATOM 885 OXT PHE 99 17.325 -7.017 19.577 1.00 25.20 O ATOM 886 H PHE 99 18.080 -3.494 18.929 1.00 25.00 H TER 887 PHE 99 HETATM 888 O HOH 402 24.741 6.692 1.210 1.00 15.98 O HETATM 889 1H HOH 402 25.156 6.058 0.609 1.00 25.00 H HETATM 890 2H HOH 402 24.009 6.182 1.562 1.00 25.00 H HETATM 891 O HOH 403 25.707 4.166 -0.555 1.00 25.57 O HETATM 892 1H HOH 403 26.303 4.532 -1.218 1.00 25.00 H HETATM 893 2H HOH 403 25.626 3.248 -0.836 1.00 25.00 H HETATM 894 O HOH 404 36.565 6.808 -1.673 1.00 33.94 O HETATM 895 1H HOH 404 36.934 7.415 -2.328 1.00 25.00 H HETATM 896 2H HOH 404 36.772 7.272 -0.862 1.00 25.00 H HETATM 897 O HOH 405 36.194 13.894 12.905 1.00 17.92 O HETATM 898 1H HOH 405 36.399 13.683 11.983 1.00 25.00 H HETATM 899 2H HOH 405 37.048 13.763 13.322 1.00 25.00 H HETATM 900 O HOH 406 48.217 12.786 7.394 1.00 32.95 O HETATM 901 1H HOH 406 48.273 13.238 8.250 1.00 25.00 H HETATM 902 2H HOH 406 49.014 12.265 7.299 1.00 25.00 H HETATM 903 O HOH 407 39.227 8.065 -0.612 1.00 27.43 O HETATM 904 1H HOH 407 39.547 7.330 -0.093 1.00 25.00 H HETATM 905 2H HOH 407 39.375 8.867 -0.075 1.00 25.00 H HETATM 906 O HOH 408 31.990 -3.508 1.530 1.00 48.82 O HETATM 907 1H HOH 408 32.415 -3.685 0.696 1.00 25.00 H HETATM 908 2H HOH 408 31.388 -2.783 1.353 1.00 25.00 H HETATM 909 O HOH 409 41.694 18.507 3.005 1.00 13.38 O HETATM 910 1H HOH 409 41.539 18.385 3.944 1.00 25.00 H HETATM 911 2H HOH 409 41.781 19.471 2.945 1.00 25.00 H HETATM 912 O HOH 410 49.607 10.390 20.233 1.00 46.25 O HETATM 913 1H HOH 410 49.157 10.056 19.443 1.00 25.00 H HETATM 914 2H HOH 410 49.030 11.109 20.486 1.00 25.00 H HETATM 915 O HOH 413 36.608 0.000 14.585 0.50 7.25 O HETATM 916 1H HOH 413 35.668 0.097 14.740 1.00 25.00 H HETATM 917 2H HOH 413 36.880 -0.695 15.185 1.00 25.00 H HETATM 918 O HOH 414 28.142 17.316 -0.281 1.00 18.31 O HETATM 919 1H HOH 414 27.569 18.075 -0.435 1.00 25.00 H HETATM 920 2H HOH 414 28.571 17.532 0.553 1.00 25.00 H HETATM 921 O HOH 415 36.727 12.301 -4.323 1.00 38.14 O HETATM 922 1H HOH 415 35.876 11.861 -4.368 1.00 25.00 H HETATM 923 2H HOH 415 36.889 12.731 -5.158 1.00 25.00 H HETATM 924 O HOH 416 33.526 4.280 19.811 1.00 19.80 O HETATM 925 1H HOH 416 33.198 4.586 18.965 1.00 25.00 H HETATM 926 2H HOH 416 33.056 3.449 19.899 1.00 25.00 H HETATM 927 O HOH 417 44.297 21.991 2.837 1.00 34.77 O HETATM 928 1H HOH 417 44.288 21.156 3.301 1.00 25.00 H HETATM 929 2H HOH 417 43.475 22.419 3.159 1.00 25.00 H HETATM 930 O HOH 418 45.484 22.469 16.961 1.00 28.36 O HETATM 931 1H HOH 418 45.486 21.935 16.144 1.00 25.00 H HETATM 932 2H HOH 418 46.312 22.247 17.382 1.00 25.00 H HETATM 933 O HOH 419 38.485 23.819 12.152 1.00 30.41 O HETATM 934 1H HOH 419 37.810 24.464 11.950 1.00 25.00 H HETATM 935 2H HOH 419 38.705 23.400 11.314 1.00 25.00 H HETATM 936 O HOH 424 22.991 -7.761 11.295 1.00 28.06 O HETATM 937 1H HOH 424 23.293 -6.887 11.562 1.00 25.00 H HETATM 938 2H HOH 424 23.785 -8.303 11.253 1.00 25.00 H HETATM 939 O HOH 425 17.191 9.254 5.051 1.00 41.93 O HETATM 940 1H HOH 425 18.085 8.922 4.858 1.00 25.00 H HETATM 941 2H HOH 425 16.811 8.584 5.610 1.00 25.00 H HETATM 942 O HOH 426 30.946 16.319 14.289 1.00 37.00 O HETATM 943 1H HOH 426 30.553 15.806 15.003 1.00 25.00 H HETATM 944 2H HOH 426 30.194 16.496 13.727 1.00 25.00 H MASTER 277 0 0 1 7 0 1 6 943 1 0 8 END