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HEADER COMPLEX (ONCOGENE PROTEIN/PEPTIDE) 30-SEP-96 1YCR TITLE MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF P53 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MDM2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 17 - 125; COMPND 5 SYNONYM: MDM2; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: P53; COMPND 9 CHAIN: B; COMPND 10 FRAGMENT: RESIDUES 15 - 29; COMPND 11 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D; SOURCE 8 MOL_ID: 2 KEYWDS ANTI-ONCOGENE, DNA-BINDING, TRANSCRIPTION REGULATION, KEYWDS 2 NUCLEAR PROTEIN, COMPLEX (ONCOGENE PROTEIN/PEPTIDE), KEYWDS 3 PHOSPHORYLATION, ACTIVATOR EXPDTA X-RAY DIFFRACTION AUTHOR P.H.KUSSIE,N.P.PAVLETICH REVDAT 2 24-FEB-09 1YCR 1 VERSN REVDAT 1 19-NOV-97 1YCR 0 JRNL AUTH P.H.KUSSIE,S.GORINA,V.MARECHAL,B.ELENBAAS,J.MOREAU, JRNL AUTH 2 A.J.LEVINE,N.P.PAVLETICH JRNL TITL STRUCTURE OF THE MDM2 ONCOPROTEIN BOUND TO THE P53 JRNL TITL 2 TUMOR SUPPRESSOR TRANSACTIVATION DOMAIN. JRNL REF SCIENCE V. 274 948 1996 JRNL REFN ISSN 0036-8075 JRNL PMID 8875929 JRNL DOI 10.1126/SCIENCE.274.5289.948 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT, X-PLOR 3.1 REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 3293 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.200 REMARK 3 R VALUE (WORKING SET) : 0.200 REMARK 3 FREE R VALUE : 0.276 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 819 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : NULL ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : NULL REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YCR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JUL-96 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL 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) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3559 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.0 REMARK 200 DATA REDUNDANCY : 4.500 REMARK 200 R MERGE (I) : 0.05200 REMARK 200 R SYM (I) : NULL 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) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL 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 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.03 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.42650 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.42650 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 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 21.70700 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 50.27300 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.70700 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 50.27300 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.42650 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.70700 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 50.27300 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.42650 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.70700 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 50.27300 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1440 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 5440 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 17 REMARK 465 GLN A 18 REMARK 465 ILE A 19 REMARK 465 PRO A 20 REMARK 465 ALA A 21 REMARK 465 SER A 22 REMARK 465 GLU A 23 REMARK 465 GLN A 24 REMARK 465 VAL A 110 REMARK 465 ASN A 111 REMARK 465 GLN A 112 REMARK 465 GLN A 113 REMARK 465 GLU A 114 REMARK 465 SER A 115 REMARK 465 SER A 116 REMARK 465 ASP A 117 REMARK 465 SER A 118 REMARK 465 GLY A 119 REMARK 465 THR A 120 REMARK 465 SER A 121 REMARK 465 VAL A 122 REMARK 465 SER A 123 REMARK 465 GLU A 124 REMARK 465 ASN A 125 REMARK 465 SER B 15 REMARK 465 GLN B 16 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 ALA A 43 90.74 -69.28 REMARK 500 ARG A 65 45.24 28.06 REMARK 500 GLN A 71 79.07 -105.81 REMARK 500 CYS A 77 18.22 -140.46 REMARK 500 REMARK 500 REMARK: NULL DBREF 1YCR A 17 125 UNP Q00987 MDM2_HUMAN 17 125 DBREF 1YCR B 15 29 UNP P04637 P53_HUMAN 15 29 SEQRES 1 A 109 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 A 109 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 A 109 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 A 109 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 A 109 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 A 109 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 A 109 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 A 109 VAL VAL VAL ASN GLN GLN GLU SER SER ASP SER GLY THR SEQRES 9 A 109 SER VAL SER GLU ASN SEQRES 1 B 15 SER GLN GLU THR PHE SER ASP LEU TRP LYS LEU LEU PRO SEQRES 2 B 15 GLU ASN HELIX 1 1 PRO A 32 VAL A 41 1 10 HELIX 2 2 MET A 50 THR A 63 1 14 HELIX 3 3 LEU A 81 PHE A 86 1 6 HELIX 4 4 HIS A 96 ASN A 106 1 11 HELIX 5 5 PHE B 19 LEU B 25 1 7 SHEET 1 A 2 ILE A 74 TYR A 76 0 SHEET 2 A 2 SER A 90 SER A 92 -1 N PHE A 91 O VAL A 75 CRYST1 43.414 100.546 54.853 90.00 90.00 90.00 C 2 2 21 8 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 0.023034 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009946 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018231 0.00000 ATOM 1 N GLU A 25 10.801 -12.147 -5.180 1.00 49.08 N ATOM 2 CA GLU A 25 11.124 -13.382 -4.414 1.00 50.43 C ATOM 3 C GLU A 25 11.769 -12.878 -3.130 1.00 49.75 C ATOM 4 O GLU A 25 11.175 -12.047 -2.441 1.00 49.34 O ATOM 5 CB GLU A 25 12.075 -14.259 -5.228 1.00 53.69 C ATOM 6 CG GLU A 25 11.564 -14.543 -6.638 1.00 57.47 C ATOM 7 CD GLU A 25 12.414 -15.556 -7.397 1.00 61.03 C ATOM 8 OE1 GLU A 25 12.439 -16.745 -6.995 1.00 61.91 O ATOM 9 OE2 GLU A 25 13.043 -15.163 -8.409 1.00 62.06 O ATOM 10 N THR A 25Z 12.965 -13.355 -2.800 1.00 49.81 N ATOM 11 CA THR A 25Z 13.656 -12.864 -1.611 1.00 48.43 C ATOM 12 C THR A 25Z 14.518 -11.718 -2.102 1.00 44.63 C ATOM 13 O THR A 25Z 15.519 -11.956 -2.778 1.00 45.84 O ATOM 14 CB THR A 25Z 14.598 -13.915 -1.009 1.00 49.13 C ATOM 15 OG1 THR A 25Z 15.478 -14.396 -2.032 1.00 49.45 O ATOM 16 CG2 THR A 25Z 13.804 -15.068 -0.397 1.00 49.70 C ATOM 17 N LEU A 27 14.081 -10.486 -1.869 1.00 38.63 N ATOM 18 CA LEU A 27 14.863 -9.337 -2.294 1.00 35.16 C ATOM 19 C LEU A 27 15.877 -8.978 -1.213 1.00 32.59 C ATOM 20 O LEU A 27 15.495 -8.696 -0.082 1.00 30.66 O ATOM 21 CB LEU A 27 13.960 -8.146 -2.616 1.00 32.87 C ATOM 22 CG LEU A 27 13.336 -8.100 -4.010 1.00 29.89 C ATOM 23 CD1 LEU A 27 13.942 -6.978 -4.794 1.00 29.32 C ATOM 24 CD2 LEU A 27 13.546 -9.397 -4.744 1.00 27.86 C ATOM 25 N VAL A 28 17.162 -9.063 -1.553 1.00 30.41 N ATOM 26 CA VAL A 28 18.243 -8.753 -0.623 1.00 26.97 C ATOM 27 C VAL A 28 19.056 -7.585 -1.146 1.00 29.59 C ATOM 28 O VAL A 28 18.977 -7.247 -2.329 1.00 29.91 O ATOM 29 CB VAL A 28 19.188 -9.980 -0.384 1.00 20.37 C ATOM 30 CG1 VAL A 28 18.428 -11.110 0.261 1.00 17.22 C ATOM 31 CG2 VAL A 28 19.819 -10.441 -1.688 1.00 19.17 C ATOM 32 N ARG A 29 19.785 -6.941 -0.241 1.00 33.20 N ATOM 33 CA ARG A 29 20.650 -5.812 -0.577 1.00 37.19 C ATOM 34 C ARG A 29 22.031 -6.257 -0.132 1.00 34.37 C ATOM 35 O ARG A 29 22.238 -6.530 1.050 1.00 35.05 O ATOM 36 CB ARG A 29 20.239 -4.577 0.213 1.00 46.45 C ATOM 37 CG ARG A 29 20.885 -3.295 -0.264 1.00 56.87 C ATOM 38 CD ARG A 29 20.354 -2.071 0.489 1.00 62.95 C ATOM 39 NE ARG A 29 18.892 -1.904 0.445 1.00 67.51 N ATOM 40 CZ ARG A 29 18.168 -1.674 -0.657 1.00 69.80 C ATOM 41 NH1 ARG A 29 18.743 -1.578 -1.853 1.00 70.00 N ATOM 42 NH2 ARG A 29 16.853 -1.509 -0.560 1.00 70.00 N ATOM 43 N PRO A 30 22.976 -6.407 -1.075 1.00 32.61 N ATOM 44 CA PRO A 30 24.328 -6.842 -0.726 1.00 31.66 C ATOM 45 C PRO A 30 25.179 -5.801 0.008 1.00 31.16 C ATOM 46 O PRO A 30 25.136 -4.598 -0.297 1.00 33.84 O ATOM 47 CB PRO A 30 24.915 -7.215 -2.086 1.00 31.15 C ATOM 48 CG PRO A 30 24.291 -6.227 -2.989 1.00 31.13 C ATOM 49 CD PRO A 30 22.853 -6.222 -2.532 1.00 32.34 C ATOM 50 N LYS A 31 25.928 -6.279 0.997 1.00 26.84 N ATOM 51 CA LYS A 31 26.812 -5.440 1.782 1.00 25.65 C ATOM 52 C LYS A 31 27.962 -4.950 0.897 1.00 25.77 C ATOM 53 O LYS A 31 28.271 -5.569 -0.123 1.00 24.89 O ATOM 54 CB LYS A 31 27.298 -6.203 3.022 1.00 27.30 C ATOM 55 CG LYS A 31 26.247 -6.219 4.140 1.00 28.71 C ATOM 56 CD LYS A 31 26.650 -7.040 5.370 1.00 31.15 C ATOM 57 CE LYS A 31 25.543 -6.988 6.439 1.00 31.90 C ATOM 58 NZ LYS A 31 25.561 -8.096 7.463 1.00 32.60 N ATOM 59 N PRO A 32 28.632 -3.852 1.294 1.00 27.32 N ATOM 60 CA PRO A 32 29.752 -3.210 0.585 1.00 28.83 C ATOM 61 C PRO A 32 30.758 -4.109 -0.155 1.00 28.49 C ATOM 62 O PRO A 32 30.962 -3.960 -1.368 1.00 26.97 O ATOM 63 CB PRO A 32 30.415 -2.397 1.693 1.00 30.47 C ATOM 64 CG PRO A 32 29.249 -1.972 2.513 1.00 29.36 C ATOM 65 CD PRO A 32 28.486 -3.257 2.637 1.00 27.44 C ATOM 66 N LEU A 33 31.405 -5.018 0.569 1.00 28.99 N ATOM 67 CA LEU A 33 32.370 -5.908 -0.059 1.00 30.75 C ATOM 68 C LEU A 33 31.709 -6.751 -1.160 1.00 29.16 C ATOM 69 O LEU A 33 32.216 -6.834 -2.292 1.00 28.31 O ATOM 70 CB LEU A 33 33.014 -6.811 1.000 1.00 34.41 C ATOM 71 CG LEU A 33 34.513 -6.663 1.322 1.00 36.11 C ATOM 72 CD1 LEU A 33 34.816 -5.269 1.837 1.00 35.52 C ATOM 73 CD2 LEU A 33 34.923 -7.714 2.356 1.00 36.44 C ATOM 74 N LEU A 34 30.544 -7.316 -0.838 1.00 26.60 N ATOM 75 CA LEU A 34 29.801 -8.160 -1.765 1.00 24.24 C ATOM 76 C LEU A 34 29.264 -7.399 -2.961 1.00 23.47 C ATOM 77 O LEU A 34 29.189 -7.933 -4.068 1.00 24.63 O ATOM 78 CB LEU A 34 28.655 -8.872 -1.044 1.00 23.85 C ATOM 79 CG LEU A 34 27.797 -9.797 -1.918 1.00 22.79 C ATOM 80 CD1 LEU A 34 28.677 -10.890 -2.495 1.00 20.28 C ATOM 81 CD2 LEU A 34 26.620 -10.369 -1.110 1.00 22.38 C ATOM 82 N LEU A 35 28.892 -6.149 -2.747 1.00 22.96 N ATOM 83 CA LEU A 35 28.366 -5.336 -3.833 1.00 23.98 C ATOM 84 C LEU A 35 29.470 -5.044 -4.855 1.00 26.54 C ATOM 85 O LEU A 35 29.231 -5.039 -6.069 1.00 27.25 O ATOM 86 CB LEU A 35 27.784 -4.054 -3.268 1.00 22.75 C ATOM 87 CG LEU A 35 26.684 -3.377 -4.074 1.00 23.66 C ATOM 88 CD1 LEU A 35 27.195 -2.000 -4.438 1.00 26.56 C ATOM 89 CD2 LEU A 35 26.257 -4.189 -5.304 1.00 21.58 C ATOM 90 N LYS A 36 30.678 -4.830 -4.340 1.00 28.69 N ATOM 91 CA LYS A 36 31.883 -4.570 -5.132 1.00 31.72 C ATOM 92 C LYS A 36 32.209 -5.825 -5.981 1.00 31.71 C ATOM 93 O LYS A 36 32.513 -5.730 -7.173 1.00 33.69 O ATOM 94 CB LYS A 36 33.029 -4.269 -4.166 1.00 35.41 C ATOM 95 CG LYS A 36 34.359 -4.005 -4.810 1.00 39.49 C ATOM 96 CD LYS A 36 35.454 -4.022 -3.755 1.00 43.89 C ATOM 97 CE LYS A 36 35.130 -3.090 -2.589 1.00 46.95 C ATOM 98 NZ LYS A 36 36.283 -2.868 -1.655 1.00 47.38 N ATOM 99 N LEU A 37 32.162 -6.990 -5.339 1.00 27.34 N ATOM 100 CA LEU A 37 32.387 -8.279 -5.983 1.00 24.68 C ATOM 101 C LEU A 37 31.378 -8.413 -7.125 1.00 25.88 C ATOM 102 O LEU A 37 31.711 -8.866 -8.216 1.00 23.86 O ATOM 103 CB LEU A 37 32.113 -9.371 -4.943 1.00 25.16 C ATOM 104 CG LEU A 37 32.290 -10.884 -5.107 1.00 26.21 C ATOM 105 CD1 LEU A 37 31.802 -11.369 -6.456 1.00 27.27 C ATOM 106 CD2 LEU A 37 33.737 -11.232 -4.901 1.00 26.79 C ATOM 107 N LEU A 38 30.130 -8.030 -6.846 1.00 30.28 N ATOM 108 CA LEU A 38 29.030 -8.111 -7.813 1.00 29.47 C ATOM 109 C LEU A 38 29.248 -7.215 -9.012 1.00 31.49 C ATOM 110 O LEU A 38 29.178 -7.680 -10.151 1.00 31.19 O ATOM 111 CB LEU A 38 27.696 -7.777 -7.134 1.00 24.98 C ATOM 112 CG LEU A 38 26.681 -8.896 -6.865 1.00 20.36 C ATOM 113 CD1 LEU A 38 27.327 -10.238 -6.748 1.00 17.92 C ATOM 114 CD2 LEU A 38 25.941 -8.569 -5.596 1.00 20.85 C ATOM 115 N LYS A 39 29.521 -5.934 -8.756 1.00 33.42 N ATOM 116 CA LYS A 39 29.764 -4.979 -9.833 1.00 34.82 C ATOM 117 C LYS A 39 30.869 -5.531 -10.710 1.00 35.75 C ATOM 118 O LYS A 39 30.754 -5.535 -11.939 1.00 37.32 O ATOM 119 CB LYS A 39 30.171 -3.603 -9.293 1.00 38.06 C ATOM 120 CG LYS A 39 29.133 -2.935 -8.392 1.00 41.92 C ATOM 121 CD LYS A 39 27.729 -3.178 -8.919 1.00 44.44 C ATOM 122 CE LYS A 39 26.630 -2.584 -8.055 1.00 46.35 C ATOM 123 NZ LYS A 39 26.391 -1.133 -8.324 1.00 46.80 N ATOM 124 N SER A 40 31.889 -6.096 -10.069 1.00 36.07 N ATOM 125 CA SER A 40 33.022 -6.663 -10.783 1.00 36.72 C ATOM 126 C SER A 40 32.586 -7.569 -11.941 1.00 37.40 C ATOM 127 O SER A 40 33.299 -7.675 -12.944 1.00 39.94 O ATOM 128 CB SER A 40 33.939 -7.422 -9.816 1.00 37.52 C ATOM 129 OG SER A 40 33.633 -8.802 -9.782 1.00 39.51 O ATOM 130 N VAL A 41 31.416 -8.202 -11.824 1.00 34.16 N ATOM 131 CA VAL A 41 30.957 -9.077 -12.896 1.00 30.18 C ATOM 132 C VAL A 41 29.807 -8.535 -13.711 1.00 29.68 C ATOM 133 O VAL A 41 29.119 -9.299 -14.378 1.00 32.08 O ATOM 134 CB VAL A 41 30.651 -10.512 -12.411 1.00 26.76 C ATOM 135 CG1 VAL A 41 31.934 -11.220 -12.068 1.00 26.46 C ATOM 136 CG2 VAL A 41 29.764 -10.488 -11.204 1.00 25.44 C ATOM 137 N GLY A 42 29.618 -7.220 -13.684 1.00 27.40 N ATOM 138 CA GLY A 42 28.554 -6.605 -14.461 1.00 26.98 C ATOM 139 C GLY A 42 27.242 -6.280 -13.771 1.00 29.87 C ATOM 140 O GLY A 42 26.435 -5.515 -14.299 1.00 31.25 O ATOM 141 N ALA A 43 27.006 -6.857 -12.599 1.00 31.86 N ATOM 142 CA ALA A 43 25.767 -6.605 -11.863 1.00 33.11 C ATOM 143 C ALA A 43 25.743 -5.173 -11.340 1.00 36.97 C ATOM 144 O ALA A 43 26.183 -4.912 -10.224 1.00 37.99 O ATOM 145 CB ALA A 43 25.629 -7.590 -10.709 1.00 31.88 C ATOM 146 N GLN A 44 25.196 -4.258 -12.134 1.00 38.43 N ATOM 147 CA GLN A 44 25.131 -2.841 -11.765 1.00 40.64 C ATOM 148 C GLN A 44 23.950 -2.382 -10.881 1.00 38.73 C ATOM 149 O GLN A 44 23.270 -1.417 -11.218 1.00 39.71 O ATOM 150 CB GLN A 44 25.100 -1.997 -13.038 1.00 44.75 C ATOM 151 CG GLN A 44 26.061 -2.371 -14.123 1.00 47.84 C ATOM 152 CD GLN A 44 25.898 -1.446 -15.308 1.00 52.18 C ATOM 153 OE1 GLN A 44 24.827 -1.385 -15.918 1.00 53.63 O ATOM 154 NE2 GLN A 44 26.945 -0.680 -15.616 1.00 54.69 N ATOM 155 N LYS A 45 23.712 -3.000 -9.735 1.00 36.33 N ATOM 156 CA LYS A 45 22.587 -2.545 -8.939 1.00 35.35 C ATOM 157 C LYS A 45 22.679 -2.802 -7.445 1.00 38.33 C ATOM 158 O LYS A 45 23.568 -3.507 -6.978 1.00 40.86 O ATOM 159 CB LYS A 45 21.277 -3.065 -9.526 1.00 34.15 C ATOM 160 CG LYS A 45 21.215 -4.557 -9.704 1.00 33.47 C ATOM 161 CD LYS A 45 19.840 -4.968 -10.170 1.00 33.07 C ATOM 162 CE LYS A 45 19.581 -6.418 -9.848 1.00 33.29 C ATOM 163 NZ LYS A 45 18.155 -6.740 -10.064 1.00 33.65 N ATOM 164 N ASP A 46 21.731 -2.247 -6.703 1.00 39.51 N ATOM 165 CA ASP A 46 21.717 -2.334 -5.253 1.00 43.18 C ATOM 166 C ASP A 46 20.770 -3.333 -4.628 1.00 39.04 C ATOM 167 O ASP A 46 20.897 -3.623 -3.454 1.00 39.67 O ATOM 168 CB ASP A 46 21.387 -0.944 -4.706 1.00 53.36 C ATOM 169 CG ASP A 46 21.760 -0.766 -3.242 1.00 63.20 C ATOM 170 OD1 ASP A 46 22.354 -1.691 -2.634 1.00 67.17 O ATOM 171 OD2 ASP A 46 21.475 0.336 -2.709 1.00 66.33 O ATOM 172 N THR A 47 19.798 -3.829 -5.379 1.00 37.84 N ATOM 173 CA THR A 47 18.826 -4.769 -4.826 1.00 37.77 C ATOM 174 C THR A 47 18.751 -5.986 -5.729 1.00 33.96 C ATOM 175 O THR A 47 18.709 -5.842 -6.947 1.00 34.85 O ATOM 176 CB THR A 47 17.438 -4.093 -4.678 1.00 41.52 C ATOM 177 OG1 THR A 47 17.606 -2.806 -4.059 1.00 44.57 O ATOM 178 CG2 THR A 47 16.533 -4.918 -3.789 1.00 41.07 C ATOM 179 N TYR A 48 18.757 -7.181 -5.139 1.00 29.39 N ATOM 180 CA TYR A 48 18.751 -8.419 -5.918 1.00 25.54 C ATOM 181 C TYR A 48 17.912 -9.518 -5.303 1.00 23.68 C ATOM 182 O TYR A 48 17.644 -9.512 -4.108 1.00 24.17 O ATOM 183 CB TYR A 48 20.180 -9.004 -5.990 1.00 23.33 C ATOM 184 CG TYR A 48 21.250 -8.109 -6.562 1.00 20.34 C ATOM 185 CD1 TYR A 48 21.808 -7.089 -5.796 1.00 19.97 C ATOM 186 CD2 TYR A 48 21.694 -8.265 -7.875 1.00 19.16 C ATOM 187 CE1 TYR A 48 22.770 -6.248 -6.323 1.00 18.70 C ATOM 188 CE2 TYR A 48 22.656 -7.427 -8.400 1.00 19.06 C ATOM 189 CZ TYR A 48 23.181 -6.424 -7.614 1.00 18.73 C ATOM 190 OH TYR A 48 24.118 -5.576 -8.118 1.00 21.84 O ATOM 191 N THR A 49 17.521 -10.484 -6.117 1.00 21.72 N ATOM 192 CA THR A 49 16.819 -11.630 -5.577 1.00 22.96 C ATOM 193 C THR A 49 17.970 -12.568 -5.189 1.00 23.47 C ATOM 194 O THR A 49 19.105 -12.333 -5.602 1.00 21.98 O ATOM 195 CB THR A 49 15.898 -12.290 -6.628 1.00 24.40 C ATOM 196 OG1 THR A 49 16.624 -12.552 -7.835 1.00 25.85 O ATOM 197 CG2 THR A 49 14.738 -11.367 -6.951 1.00 24.83 C ATOM 198 N MET A 50 17.724 -13.577 -4.359 1.00 26.64 N ATOM 199 CA MET A 50 18.794 -14.502 -3.998 1.00 28.05 C ATOM 200 C MET A 50 19.413 -15.149 -5.246 1.00 28.41 C ATOM 201 O MET A 50 20.624 -15.353 -5.303 1.00 31.46 O ATOM 202 CB MET A 50 18.290 -15.585 -3.043 1.00 29.52 C ATOM 203 CG MET A 50 18.786 -15.430 -1.616 1.00 31.67 C ATOM 204 SD MET A 50 20.561 -15.673 -1.478 1.00 33.21 S ATOM 205 CE MET A 50 20.698 -17.337 -2.115 1.00 33.22 C ATOM 206 N LYS A 51 18.595 -15.443 -6.254 1.00 25.59 N ATOM 207 CA LYS A 51 19.082 -16.054 -7.492 1.00 24.33 C ATOM 208 C LYS A 51 20.123 -15.240 -8.275 1.00 20.13 C ATOM 209 O LYS A 51 21.077 -15.814 -8.783 1.00 20.41 O ATOM 210 CB LYS A 51 17.911 -16.421 -8.405 1.00 26.76 C ATOM 211 CG LYS A 51 17.019 -17.491 -7.844 1.00 29.23 C ATOM 212 CD LYS A 51 15.826 -17.759 -8.757 1.00 32.33 C ATOM 213 CE LYS A 51 14.860 -18.758 -8.123 1.00 35.65 C ATOM 214 NZ LYS A 51 13.726 -19.097 -9.045 1.00 39.61 N ATOM 215 N GLU A 52 19.929 -13.927 -8.396 1.00 18.05 N ATOM 216 CA GLU A 52 20.876 -13.065 -9.111 1.00 17.63 C ATOM 217 C GLU A 52 22.214 -13.071 -8.387 1.00 18.96 C ATOM 218 O GLU A 52 23.271 -13.141 -9.011 1.00 21.98 O ATOM 219 CB GLU A 52 20.379 -11.623 -9.192 1.00 15.17 C ATOM 220 CG GLU A 52 19.197 -11.420 -10.100 1.00 14.49 C ATOM 221 CD GLU A 52 18.761 -9.957 -10.221 1.00 14.76 C ATOM 222 OE1 GLU A 52 18.401 -9.331 -9.195 1.00 14.10 O ATOM 223 OE2 GLU A 52 18.773 -9.430 -11.359 1.00 16.08 O ATOM 224 N VAL A 53 22.162 -12.984 -7.063 1.00 16.80 N ATOM 225 CA VAL A 53 23.367 -12.993 -6.256 1.00 15.61 C ATOM 226 C VAL A 53 24.177 -14.251 -6.596 1.00 19.06 C ATOM 227 O VAL A 53 25.280 -14.165 -7.121 1.00 19.53 O ATOM 228 CB VAL A 53 23.022 -12.909 -4.732 1.00 10.83 C ATOM 229 CG1 VAL A 53 24.221 -13.377 -3.855 1.00 9.30 C ATOM 230 CG2 VAL A 53 22.617 -11.464 -4.356 1.00 6.78 C ATOM 231 N LEU A 54 23.569 -15.414 -6.415 1.00 20.11 N ATOM 232 CA LEU A 54 24.244 -16.672 -6.687 1.00 17.78 C ATOM 233 C LEU A 54 24.751 -16.780 -8.105 1.00 18.36 C ATOM 234 O LEU A 54 25.816 -17.334 -8.323 1.00 23.49 O ATOM 235 CB LEU A 54 23.318 -17.850 -6.420 1.00 16.46 C ATOM 236 CG LEU A 54 22.858 -18.137 -4.996 1.00 14.65 C ATOM 237 CD1 LEU A 54 21.786 -19.217 -5.048 1.00 15.10 C ATOM 238 CD2 LEU A 54 24.023 -18.574 -4.154 1.00 11.49 C ATOM 239 N PHE A 55 23.983 -16.277 -9.065 1.00 15.68 N ATOM 240 CA PHE A 55 24.341 -16.344 -10.489 1.00 12.20 C ATOM 241 C PHE A 55 25.636 -15.630 -10.765 1.00 15.52 C ATOM 242 O PHE A 55 26.546 -16.223 -11.342 1.00 17.40 O ATOM 243 CB PHE A 55 23.223 -15.735 -11.350 1.00 6.10 C ATOM 244 CG PHE A 55 23.615 -15.454 -12.776 1.00 1.58 C ATOM 245 CD1 PHE A 55 23.765 -16.477 -13.688 1.00 1.07 C ATOM 246 CD2 PHE A 55 23.835 -14.171 -13.197 1.00 1.00 C ATOM 247 CE1 PHE A 55 24.135 -16.221 -14.999 1.00 1.00 C ATOM 248 CE2 PHE A 55 24.200 -13.901 -14.497 1.00 1.00 C ATOM 249 CZ PHE A 55 24.351 -14.915 -15.392 1.00 1.77 C ATOM 250 N TYR A 56 25.697 -14.353 -10.376 1.00 18.18 N ATOM 251 CA TYR A 56 26.886 -13.515 -10.570 1.00 21.08 C ATOM 252 C TYR A 56 28.058 -14.009 -9.713 1.00 25.58 C ATOM 253 O TYR A 56 29.203 -14.065 -10.171 1.00 27.28 O ATOM 254 CB TYR A 56 26.588 -12.060 -10.211 1.00 19.30 C ATOM 255 CG TYR A 56 25.665 -11.344 -11.164 1.00 18.72 C ATOM 256 CD1 TYR A 56 26.036 -11.122 -12.493 1.00 19.77 C ATOM 257 CD2 TYR A 56 24.418 -10.890 -10.739 1.00 17.69 C ATOM 258 CE1 TYR A 56 25.187 -10.464 -13.377 1.00 19.76 C ATOM 259 CE2 TYR A 56 23.566 -10.237 -11.602 1.00 18.54 C ATOM 260 CZ TYR A 56 23.948 -10.022 -12.923 1.00 21.12 C ATOM 261 OH TYR A 56 23.089 -9.339 -13.769 1.00 24.19 O ATOM 262 N LEU A 57 27.760 -14.367 -8.468 1.00 25.21 N ATOM 263 CA LEU A 57 28.758 -14.877 -7.542 1.00 21.43 C ATOM 264 C LEU A 57 29.396 -16.144 -8.132 1.00 16.56 C ATOM 265 O LEU A 57 30.583 -16.399 -7.952 1.00 16.93 O ATOM 266 CB LEU A 57 28.097 -15.141 -6.188 1.00 21.93 C ATOM 267 CG LEU A 57 28.991 -15.465 -4.993 1.00 23.25 C ATOM 268 CD1 LEU A 57 30.098 -14.433 -4.883 1.00 24.87 C ATOM 269 CD2 LEU A 57 28.163 -15.504 -3.729 1.00 22.07 C ATOM 270 N GLY A 58 28.606 -16.903 -8.877 1.00 13.03 N ATOM 271 CA GLY A 58 29.093 -18.105 -9.525 1.00 12.30 C ATOM 272 C GLY A 58 29.881 -17.738 -10.769 1.00 15.61 C ATOM 273 O GLY A 58 30.833 -18.418 -11.126 1.00 19.99 O ATOM 274 N GLN A 59 29.489 -16.659 -11.427 1.00 14.86 N ATOM 275 CA GLN A 59 30.166 -16.170 -12.622 1.00 16.02 C ATOM 276 C GLN A 59 31.564 -15.657 -12.285 1.00 17.15 C ATOM 277 O GLN A 59 32.486 -15.736 -13.091 1.00 20.04 O ATOM 278 CB GLN A 59 29.368 -15.021 -13.216 1.00 18.21 C ATOM 279 CG GLN A 59 28.089 -15.453 -13.826 1.00 21.13 C ATOM 280 CD GLN A 59 28.336 -16.409 -14.942 1.00 23.42 C ATOM 281 OE1 GLN A 59 28.794 -16.018 -16.008 1.00 26.16 O ATOM 282 NE2 GLN A 59 28.071 -17.677 -14.700 1.00 24.91 N ATOM 283 N TYR A 60 31.688 -15.061 -11.114 1.00 15.53 N ATOM 284 CA TYR A 60 32.947 -14.515 -10.639 1.00 14.57 C ATOM 285 C TYR A 60 33.933 -15.681 -10.434 1.00 16.46 C ATOM 286 O TYR A 60 35.049 -15.679 -10.946 1.00 18.96 O ATOM 287 CB TYR A 60 32.660 -13.784 -9.333 1.00 14.30 C ATOM 288 CG TYR A 60 33.858 -13.295 -8.591 1.00 15.69 C ATOM 289 CD1 TYR A 60 34.378 -12.026 -8.831 1.00 15.89 C ATOM 290 CD2 TYR A 60 34.444 -14.077 -7.591 1.00 16.18 C ATOM 291 CE1 TYR A 60 35.444 -11.550 -8.088 1.00 15.25 C ATOM 292 CE2 TYR A 60 35.505 -13.607 -6.848 1.00 15.93 C ATOM 293 CZ TYR A 60 35.996 -12.344 -7.101 1.00 16.11 C ATOM 294 OH TYR A 60 37.017 -11.854 -6.336 1.00 18.25 O ATOM 295 N ILE A 61 33.478 -16.702 -9.727 1.00 15.26 N ATOM 296 CA ILE A 61 34.274 -17.877 -9.450 1.00 13.48 C ATOM 297 C ILE A 61 34.684 -18.570 -10.724 1.00 16.31 C ATOM 298 O ILE A 61 35.862 -18.831 -10.943 1.00 18.13 O ATOM 299 CB ILE A 61 33.497 -18.858 -8.544 1.00 12.76 C ATOM 300 CG1 ILE A 61 33.109 -18.151 -7.243 1.00 11.76 C ATOM 301 CG2 ILE A 61 34.337 -20.069 -8.235 1.00 13.49 C ATOM 302 CD1 ILE A 61 32.359 -19.041 -6.269 1.00 13.72 C ATOM 303 N MET A 62 33.721 -18.882 -11.572 1.00 21.25 N ATOM 304 CA MET A 62 34.048 -19.563 -12.815 1.00 26.19 C ATOM 305 C MET A 62 35.038 -18.750 -13.618 1.00 26.57 C ATOM 306 O MET A 62 36.084 -19.245 -14.022 1.00 27.73 O ATOM 307 CB MET A 62 32.801 -19.801 -13.656 1.00 32.22 C ATOM 308 CG MET A 62 32.041 -21.059 -13.299 1.00 40.65 C ATOM 309 SD MET A 62 30.444 -21.159 -14.164 1.00 48.52 S ATOM 310 CE MET A 62 29.206 -21.058 -12.752 1.00 48.60 C ATOM 311 N THR A 63 34.719 -17.482 -13.804 1.00 26.49 N ATOM 312 CA THR A 63 35.548 -16.577 -14.580 1.00 27.67 C ATOM 313 C THR A 63 37.002 -16.428 -14.136 1.00 24.94 C ATOM 314 O THR A 63 37.910 -16.429 -14.972 1.00 26.27 O ATOM 315 CB THR A 63 34.862 -15.234 -14.662 1.00 32.91 C ATOM 316 OG1 THR A 63 33.709 -15.368 -15.505 1.00 36.10 O ATOM 317 CG2 THR A 63 35.789 -14.178 -15.199 1.00 36.18 C ATOM 318 N LYS A 64 37.218 -16.302 -12.829 1.00 20.57 N ATOM 319 CA LYS A 64 38.555 -16.168 -12.265 1.00 16.27 C ATOM 320 C LYS A 64 39.105 -17.538 -11.869 1.00 17.22 C ATOM 321 O LYS A 64 39.920 -17.652 -10.968 1.00 20.18 O ATOM 322 CB LYS A 64 38.495 -15.265 -11.039 1.00 16.24 C ATOM 323 CG LYS A 64 38.056 -13.868 -11.370 1.00 19.29 C ATOM 324 CD LYS A 64 38.081 -12.988 -10.149 1.00 22.86 C ATOM 325 CE LYS A 64 39.487 -12.826 -9.614 1.00 26.64 C ATOM 326 NZ LYS A 64 39.479 -11.939 -8.409 1.00 29.52 N ATOM 327 N ARG A 65 38.631 -18.575 -12.545 1.00 17.49 N ATOM 328 CA ARG A 65 38.997 -19.964 -12.295 1.00 14.49 C ATOM 329 C ARG A 65 39.410 -20.287 -10.874 1.00 14.03 C ATOM 330 O ARG A 65 40.351 -21.044 -10.665 1.00 17.94 O ATOM 331 CB ARG A 65 40.070 -20.431 -13.261 1.00 14.75 C ATOM 332 CG ARG A 65 39.838 -20.028 -14.703 1.00 17.60 C ATOM 333 CD ARG A 65 40.309 -21.126 -15.650 1.00 22.61 C ATOM 334 NE ARG A 65 41.729 -21.456 -15.510 1.00 28.14 N ATOM 335 CZ ARG A 65 42.190 -22.697 -15.392 1.00 34.90 C ATOM 336 NH1 ARG A 65 41.349 -23.723 -15.395 1.00 38.13 N ATOM 337 NH2 ARG A 65 43.493 -22.920 -15.289 1.00 38.07 N ATOM 338 N LEU A 66 38.652 -19.796 -9.898 1.00 10.97 N ATOM 339 CA LEU A 66 38.983 -20.045 -8.498 1.00 9.06 C ATOM 340 C LEU A 66 38.692 -21.446 -7.968 1.00 9.71 C ATOM 341 O LEU A 66 38.925 -21.724 -6.780 1.00 13.68 O ATOM 342 CB LEU A 66 38.297 -19.034 -7.589 1.00 7.18 C ATOM 343 CG LEU A 66 38.524 -17.554 -7.819 1.00 6.89 C ATOM 344 CD1 LEU A 66 37.780 -16.767 -6.748 1.00 5.18 C ATOM 345 CD2 LEU A 66 40.002 -17.272 -7.753 1.00 8.57 C ATOM 346 N TYR A 67 38.179 -22.331 -8.806 1.00 8.57 N ATOM 347 CA TYR A 67 37.861 -23.681 -8.338 1.00 12.51 C ATOM 348 C TYR A 67 39.016 -24.624 -8.635 1.00 16.43 C ATOM 349 O TYR A 67 39.865 -24.328 -9.477 1.00 19.05 O ATOM 350 CB TYR A 67 36.567 -24.197 -8.995 1.00 11.42 C ATOM 351 CG TYR A 67 36.529 -23.987 -10.501 1.00 15.91 C ATOM 352 CD1 TYR A 67 37.095 -24.922 -11.377 1.00 18.44 C ATOM 353 CD2 TYR A 67 35.967 -22.837 -11.052 1.00 17.76 C ATOM 354 CE1 TYR A 67 37.102 -24.717 -12.744 1.00 17.83 C ATOM 355 CE2 TYR A 67 35.975 -22.623 -12.422 1.00 19.57 C ATOM 356 CZ TYR A 67 36.544 -23.567 -13.259 1.00 20.81 C ATOM 357 OH TYR A 67 36.557 -23.357 -14.625 1.00 26.44 O ATOM 358 N ASP A 68 39.070 -25.746 -7.926 1.00 16.73 N ATOM 359 CA ASP A 68 40.119 -26.715 -8.163 1.00 19.56 C ATOM 360 C ASP A 68 39.798 -27.404 -9.468 1.00 24.40 C ATOM 361 O ASP A 68 38.656 -27.763 -9.727 1.00 28.26 O ATOM 362 CB ASP A 68 40.187 -27.747 -7.054 1.00 19.74 C ATOM 363 CG ASP A 68 41.407 -28.627 -7.173 1.00 19.84 C ATOM 364 OD1 ASP A 68 42.476 -28.209 -6.693 1.00 22.77 O ATOM 365 OD2 ASP A 68 41.311 -29.715 -7.763 1.00 19.07 O ATOM 366 N GLU A 69 40.820 -27.662 -10.259 1.00 26.47 N ATOM 367 CA GLU A 69 40.616 -28.281 -11.551 1.00 26.24 C ATOM 368 C GLU A 69 40.161 -29.725 -11.510 1.00 27.23 C ATOM 369 O GLU A 69 39.405 -30.182 -12.373 1.00 26.72 O ATOM 370 CB GLU A 69 41.887 -28.180 -12.355 1.00 27.13 C ATOM 371 CG GLU A 69 41.645 -28.315 -13.830 1.00 29.09 C ATOM 372 CD GLU A 69 41.219 -27.024 -14.466 1.00 30.90 C ATOM 373 OE1 GLU A 69 41.178 -25.975 -13.769 1.00 30.71 O ATOM 374 OE2 GLU A 69 40.941 -27.076 -15.679 1.00 33.03 O ATOM 375 N LYS A 70 40.657 -30.461 -10.529 1.00 30.01 N ATOM 376 CA LYS A 70 40.297 -31.861 -10.402 1.00 34.47 C ATOM 377 C LYS A 70 39.040 -32.074 -9.557 1.00 34.65 C ATOM 378 O LYS A 70 38.120 -32.769 -9.971 1.00 38.08 O ATOM 379 CB LYS A 70 41.490 -32.678 -9.875 1.00 40.08 C ATOM 380 CG LYS A 70 42.609 -32.959 -10.934 1.00 45.97 C ATOM 381 CD LYS A 70 43.362 -31.687 -11.431 1.00 50.20 C ATOM 382 CE LYS A 70 44.171 -30.995 -10.309 1.00 53.12 C ATOM 383 NZ LYS A 70 44.770 -29.677 -10.699 1.00 54.32 N ATOM 384 N GLN A 71 39.005 -31.485 -8.371 1.00 30.70 N ATOM 385 CA GLN A 71 37.857 -31.604 -7.484 1.00 27.30 C ATOM 386 C GLN A 71 37.161 -30.259 -7.563 1.00 21.02 C ATOM 387 O GLN A 71 37.289 -29.436 -6.666 1.00 18.60 O ATOM 388 CB GLN A 71 38.352 -31.883 -6.068 1.00 32.17 C ATOM 389 CG GLN A 71 38.983 -33.246 -5.920 1.00 37.01 C ATOM 390 CD GLN A 71 37.950 -34.357 -5.964 1.00 43.82 C ATOM 391 OE1 GLN A 71 37.068 -34.430 -5.110 1.00 47.96 O ATOM 392 NE2 GLN A 71 38.040 -35.215 -6.968 1.00 44.79 N ATOM 393 N GLN A 72 36.399 -30.056 -8.633 1.00 20.30 N ATOM 394 CA GLN A 72 35.719 -28.784 -8.896 1.00 16.73 C ATOM 395 C GLN A 72 34.859 -28.192 -7.812 1.00 15.22 C ATOM 396 O GLN A 72 34.446 -27.045 -7.919 1.00 17.63 O ATOM 397 CB GLN A 72 34.930 -28.851 -10.190 1.00 16.67 C ATOM 398 CG GLN A 72 35.723 -29.443 -11.328 1.00 19.27 C ATOM 399 CD GLN A 72 35.798 -28.544 -12.540 1.00 22.33 C ATOM 400 OE1 GLN A 72 34.920 -27.711 -12.792 1.00 22.68 O ATOM 401 NE2 GLN A 72 36.844 -28.726 -13.323 1.00 25.00 N ATOM 402 N HIS A 73 34.592 -28.958 -6.763 1.00 14.02 N ATOM 403 CA HIS A 73 33.791 -28.456 -5.652 1.00 13.96 C ATOM 404 C HIS A 73 34.620 -27.629 -4.661 1.00 15.64 C ATOM 405 O HIS A 73 34.056 -27.010 -3.742 1.00 17.41 O ATOM 406 CB HIS A 73 33.074 -29.604 -4.931 1.00 14.80 C ATOM 407 CG HIS A 73 33.991 -30.572 -4.261 1.00 16.64 C ATOM 408 ND1 HIS A 73 34.318 -30.488 -2.924 1.00 18.85 N ATOM 409 CD2 HIS A 73 34.639 -31.664 -4.736 1.00 15.41 C ATOM 410 CE1 HIS A 73 35.124 -31.485 -2.604 1.00 16.68 C ATOM 411 NE2 HIS A 73 35.335 -32.212 -3.686 1.00 15.48 N ATOM 412 N ILE A 74 35.950 -27.646 -4.831 1.00 12.87 N ATOM 413 CA ILE A 74 36.865 -26.894 -3.970 1.00 9.08 C ATOM 414 C ILE A 74 37.119 -25.524 -4.577 1.00 5.48 C ATOM 415 O ILE A 74 37.492 -25.418 -5.727 1.00 8.13 O ATOM 416 CB ILE A 74 38.243 -27.630 -3.779 1.00 12.08 C ATOM 417 CG1 ILE A 74 38.039 -29.024 -3.161 1.00 11.72 C ATOM 418 CG2 ILE A 74 39.174 -26.832 -2.801 1.00 10.17 C ATOM 419 CD1 ILE A 74 37.636 -28.963 -1.719 1.00 10.84 C ATOM 420 N VAL A 75 36.889 -24.475 -3.812 1.00 2.49 N ATOM 421 CA VAL A 75 37.130 -23.129 -4.293 1.00 4.31 C ATOM 422 C VAL A 75 38.140 -22.513 -3.333 1.00 9.01 C ATOM 423 O VAL A 75 38.054 -22.707 -2.115 1.00 10.49 O ATOM 424 CB VAL A 75 35.840 -22.317 -4.362 1.00 3.43 C ATOM 425 CG1 VAL A 75 36.107 -20.894 -4.774 1.00 1.00 C ATOM 426 CG2 VAL A 75 34.913 -22.964 -5.355 1.00 4.30 C ATOM 427 N TYR A 76 39.133 -21.847 -3.916 1.00 10.57 N ATOM 428 CA TYR A 76 40.251 -21.237 -3.201 1.00 9.82 C ATOM 429 C TYR A 76 40.091 -19.749 -3.237 1.00 13.54 C ATOM 430 O TYR A 76 40.024 -19.179 -4.315 1.00 17.59 O ATOM 431 CB TYR A 76 41.537 -21.582 -3.943 1.00 6.09 C ATOM 432 CG TYR A 76 41.844 -23.073 -4.072 1.00 2.63 C ATOM 433 CD1 TYR A 76 42.331 -23.796 -2.995 1.00 1.00 C ATOM 434 CD2 TYR A 76 41.733 -23.719 -5.294 1.00 1.49 C ATOM 435 CE1 TYR A 76 42.714 -25.101 -3.136 1.00 1.00 C ATOM 436 CE2 TYR A 76 42.105 -25.032 -5.437 1.00 1.00 C ATOM 437 CZ TYR A 76 42.600 -25.715 -4.354 1.00 1.93 C ATOM 438 OH TYR A 76 43.024 -27.023 -4.493 1.00 5.30 O ATOM 439 N CYS A 77 40.135 -19.090 -2.089 1.00 15.15 N ATOM 440 CA CYS A 77 39.927 -17.653 -2.094 1.00 17.24 C ATOM 441 C CYS A 77 40.798 -16.855 -1.166 1.00 19.10 C ATOM 442 O CYS A 77 40.527 -15.676 -0.938 1.00 15.49 O ATOM 443 CB CYS A 77 38.449 -17.351 -1.822 1.00 18.53 C ATOM 444 SG CYS A 77 37.662 -18.378 -0.536 1.00 18.57 S ATOM 445 N SER A 78 41.895 -17.469 -0.730 1.00 26.56 N ATOM 446 CA SER A 78 42.874 -16.862 0.185 1.00 33.89 C ATOM 447 C SER A 78 43.454 -15.587 -0.381 1.00 38.51 C ATOM 448 O SER A 78 43.584 -14.563 0.294 1.00 42.17 O ATOM 449 CB SER A 78 44.009 -17.847 0.444 1.00 34.90 C ATOM 450 OG SER A 78 44.316 -18.547 -0.754 1.00 37.68 O ATOM 451 N ASN A 79 43.779 -15.664 -1.653 1.00 39.64 N ATOM 452 CA ASN A 79 44.366 -14.559 -2.394 1.00 43.62 C ATOM 453 C ASN A 79 43.268 -13.694 -2.983 1.00 40.29 C ATOM 454 O ASN A 79 43.551 -12.851 -3.836 1.00 39.90 O ATOM 455 CB ASN A 79 45.102 -15.171 -3.579 1.00 49.71 C ATOM 456 CG ASN A 79 44.178 -16.081 -4.420 1.00 53.95 C ATOM 457 OD1 ASN A 79 43.807 -17.195 -3.989 1.00 55.43 O ATOM 458 ND2 ASN A 79 43.749 -15.579 -5.581 1.00 54.43 N ATOM 459 N ASP A 80 42.035 -13.869 -2.512 1.00 36.87 N ATOM 460 CA ASP A 80 40.908 -13.190 -3.130 1.00 29.52 C ATOM 461 C ASP A 80 39.959 -12.435 -2.231 1.00 27.60 C ATOM 462 O ASP A 80 39.762 -12.820 -1.095 1.00 26.69 O ATOM 463 CB ASP A 80 40.117 -14.258 -3.882 1.00 25.03 C ATOM 464 CG ASP A 80 39.365 -13.714 -5.050 1.00 22.21 C ATOM 465 OD1 ASP A 80 40.031 -13.307 -6.019 1.00 22.42 O ATOM 466 OD2 ASP A 80 38.113 -13.724 -5.006 1.00 20.56 O ATOM 467 N LEU A 81 39.310 -11.414 -2.804 1.00 28.92 N ATOM 468 CA LEU A 81 38.294 -10.583 -2.133 1.00 30.59 C ATOM 469 C LEU A 81 37.167 -11.478 -1.609 1.00 27.06 C ATOM 470 O LEU A 81 36.514 -11.165 -0.620 1.00 27.06 O ATOM 471 CB LEU A 81 37.703 -9.566 -3.128 1.00 37.34 C ATOM 472 CG LEU A 81 36.292 -8.950 -2.964 1.00 42.99 C ATOM 473 CD1 LEU A 81 36.205 -7.965 -1.782 1.00 44.45 C ATOM 474 CD2 LEU A 81 35.909 -8.232 -4.262 1.00 43.58 C ATOM 475 N LEU A 82 36.928 -12.576 -2.314 1.00 23.26 N ATOM 476 CA LEU A 82 35.923 -13.537 -1.940 1.00 18.87 C ATOM 477 C LEU A 82 36.295 -14.064 -0.568 1.00 20.31 C ATOM 478 O LEU A 82 35.435 -14.279 0.266 1.00 22.63 O ATOM 479 CB LEU A 82 35.927 -14.665 -2.956 1.00 18.68 C ATOM 480 CG LEU A 82 34.818 -15.699 -2.920 1.00 16.28 C ATOM 481 CD1 LEU A 82 33.477 -14.974 -2.843 1.00 17.88 C ATOM 482 CD2 LEU A 82 34.923 -16.545 -4.168 1.00 11.40 C ATOM 483 N GLY A 83 37.587 -14.250 -0.331 1.00 21.34 N ATOM 484 CA GLY A 83 38.059 -14.747 0.954 1.00 19.72 C ATOM 485 C GLY A 83 37.901 -13.695 2.031 1.00 22.61 C ATOM 486 O GLY A 83 37.665 -14.045 3.183 1.00 25.72 O ATOM 487 N ASP A 84 38.074 -12.416 1.681 1.00 24.08 N ATOM 488 CA ASP A 84 37.917 -11.315 2.639 1.00 27.82 C ATOM 489 C ASP A 84 36.469 -11.369 3.053 1.00 32.42 C ATOM 490 O ASP A 84 36.142 -11.324 4.234 1.00 36.61 O ATOM 491 CB ASP A 84 38.150 -9.953 1.978 1.00 31.47 C ATOM 492 CG ASP A 84 39.600 -9.712 1.592 1.00 35.83 C ATOM 493 OD1 ASP A 84 40.356 -10.688 1.379 1.00 38.48 O ATOM 494 OD2 ASP A 84 39.984 -8.528 1.482 1.00 36.32 O ATOM 495 N LEU A 85 35.621 -11.493 2.035 1.00 33.28 N ATOM 496 CA LEU A 85 34.172 -11.582 2.136 1.00 31.28 C ATOM 497 C LEU A 85 33.722 -12.742 3.012 1.00 28.59 C ATOM 498 O LEU A 85 33.153 -12.529 4.074 1.00 32.02 O ATOM 499 CB LEU A 85 33.599 -11.783 0.736 1.00 32.23 C ATOM 500 CG LEU A 85 32.135 -11.469 0.508 1.00 33.98 C ATOM 501 CD1 LEU A 85 32.041 -9.998 0.291 1.00 34.37 C ATOM 502 CD2 LEU A 85 31.618 -12.202 -0.714 1.00 34.90 C ATOM 503 N PHE A 86 33.970 -13.968 2.563 1.00 24.06 N ATOM 504 CA PHE A 86 33.565 -15.157 3.314 1.00 22.65 C ATOM 505 C PHE A 86 34.372 -15.379 4.573 1.00 20.98 C ATOM 506 O PHE A 86 33.963 -16.148 5.432 1.00 21.83 O ATOM 507 CB PHE A 86 33.643 -16.418 2.440 1.00 23.60 C ATOM 508 CG PHE A 86 32.600 -16.475 1.346 1.00 25.25 C ATOM 509 CD1 PHE A 86 31.609 -15.496 1.245 1.00 26.07 C ATOM 510 CD2 PHE A 86 32.587 -17.519 0.439 1.00 26.99 C ATOM 511 CE1 PHE A 86 30.628 -15.561 0.261 1.00 26.66 C ATOM 512 CE2 PHE A 86 31.605 -17.596 -0.552 1.00 27.82 C ATOM 513 CZ PHE A 86 30.627 -16.614 -0.638 1.00 28.09 C ATOM 514 N GLY A 87 35.528 -14.727 4.660 1.00 20.07 N ATOM 515 CA GLY A 87 36.406 -14.864 5.809 1.00 19.32 C ATOM 516 C GLY A 87 37.016 -16.250 5.963 1.00 20.03 C ATOM 517 O GLY A 87 37.169 -16.739 7.091 1.00 20.31 O ATOM 518 N VAL A 88 37.337 -16.909 4.848 1.00 19.28 N ATOM 519 CA VAL A 88 37.939 -18.256 4.889 1.00 18.20 C ATOM 520 C VAL A 88 38.922 -18.424 3.734 1.00 19.23 C ATOM 521 O VAL A 88 38.795 -17.764 2.700 1.00 22.03 O ATOM 522 CB VAL A 88 36.879 -19.420 4.797 1.00 16.54 C ATOM 523 CG1 VAL A 88 36.041 -19.490 6.046 1.00 13.24 C ATOM 524 CG2 VAL A 88 36.008 -19.285 3.534 1.00 16.74 C ATOM 525 N PRO A 89 39.936 -19.292 3.910 1.00 17.26 N ATOM 526 CA PRO A 89 40.940 -19.547 2.873 1.00 15.01 C ATOM 527 C PRO A 89 40.341 -20.305 1.690 1.00 16.26 C ATOM 528 O PRO A 89 40.595 -19.957 0.536 1.00 20.02 O ATOM 529 CB PRO A 89 41.987 -20.374 3.615 1.00 14.47 C ATOM 530 CG PRO A 89 41.193 -21.108 4.634 1.00 14.57 C ATOM 531 CD PRO A 89 40.272 -20.026 5.142 1.00 16.66 C ATOM 532 N SER A 90 39.537 -21.327 1.968 1.00 14.88 N ATOM 533 CA SER A 90 38.893 -22.107 0.918 1.00 15.30 C ATOM 534 C SER A 90 37.525 -22.660 1.386 1.00 17.77 C ATOM 535 O SER A 90 37.172 -22.532 2.562 1.00 17.21 O ATOM 536 CB SER A 90 39.825 -23.238 0.476 1.00 13.07 C ATOM 537 OG SER A 90 40.003 -24.201 1.499 1.00 10.50 O ATOM 538 N PHE A 91 36.747 -23.242 0.471 1.00 17.71 N ATOM 539 CA PHE A 91 35.443 -23.810 0.832 1.00 13.01 C ATOM 540 C PHE A 91 34.952 -24.861 -0.174 1.00 13.62 C ATOM 541 O PHE A 91 35.483 -24.952 -1.278 1.00 14.61 O ATOM 542 CB PHE A 91 34.398 -22.696 1.069 1.00 9.68 C ATOM 543 CG PHE A 91 34.044 -21.860 -0.158 1.00 5.81 C ATOM 544 CD1 PHE A 91 33.094 -22.293 -1.067 1.00 6.55 C ATOM 545 CD2 PHE A 91 34.579 -20.596 -0.338 1.00 5.77 C ATOM 546 CE1 PHE A 91 32.671 -21.477 -2.129 1.00 5.62 C ATOM 547 CE2 PHE A 91 34.164 -19.782 -1.392 1.00 5.00 C ATOM 548 CZ PHE A 91 33.209 -20.230 -2.280 1.00 6.43 C ATOM 549 N SER A 92 34.014 -25.714 0.241 1.00 13.98 N ATOM 550 CA SER A 92 33.450 -26.746 -0.627 1.00 12.99 C ATOM 551 C SER A 92 32.038 -26.359 -0.998 1.00 14.71 C ATOM 552 O SER A 92 31.181 -26.253 -0.122 1.00 15.05 O ATOM 553 CB SER A 92 33.399 -28.074 0.099 1.00 15.88 C ATOM 554 OG SER A 92 32.677 -29.051 -0.652 1.00 19.78 O ATOM 555 N VAL A 93 31.773 -26.173 -2.288 1.00 17.37 N ATOM 556 CA VAL A 93 30.426 -25.784 -2.700 1.00 18.30 C ATOM 557 C VAL A 93 29.429 -26.853 -2.295 1.00 20.89 C ATOM 558 O VAL A 93 28.225 -26.606 -2.273 1.00 25.39 O ATOM 559 CB VAL A 93 30.275 -25.513 -4.223 1.00 15.03 C ATOM 560 CG1 VAL A 93 31.333 -24.544 -4.718 1.00 16.89 C ATOM 561 CG2 VAL A 93 30.274 -26.792 -4.990 1.00 12.62 C ATOM 562 N LYS A 94 29.934 -28.030 -1.951 1.00 16.49 N ATOM 563 CA LYS A 94 29.078 -29.107 -1.549 1.00 15.72 C ATOM 564 C LYS A 94 28.532 -28.949 -0.138 1.00 19.47 C ATOM 565 O LYS A 94 27.718 -29.751 0.296 1.00 21.41 O ATOM 566 CB LYS A 94 29.817 -30.419 -1.646 1.00 17.53 C ATOM 567 CG LYS A 94 30.080 -30.892 -3.033 1.00 19.31 C ATOM 568 CD LYS A 94 30.722 -32.253 -2.946 1.00 23.17 C ATOM 569 CE LYS A 94 30.952 -32.844 -4.316 1.00 28.08 C ATOM 570 NZ LYS A 94 31.566 -34.209 -4.222 1.00 30.82 N ATOM 571 N GLU A 95 28.985 -27.954 0.609 1.00 22.29 N ATOM 572 CA GLU A 95 28.477 -27.767 1.956 1.00 23.82 C ATOM 573 C GLU A 95 27.485 -26.624 1.876 1.00 22.81 C ATOM 574 O GLU A 95 27.821 -25.478 2.202 1.00 22.39 O ATOM 575 CB GLU A 95 29.601 -27.367 2.890 1.00 31.07 C ATOM 576 CG GLU A 95 30.820 -28.239 2.853 1.00 37.59 C ATOM 577 CD GLU A 95 31.989 -27.593 3.595 1.00 43.46 C ATOM 578 OE1 GLU A 95 32.296 -26.392 3.349 1.00 43.63 O ATOM 579 OE2 GLU A 95 32.599 -28.297 4.429 1.00 46.58 O ATOM 580 N HIS A 96 26.252 -26.947 1.488 1.00 21.86 N ATOM 581 CA HIS A 96 25.184 -25.952 1.309 1.00 18.69 C ATOM 582 C HIS A 96 24.900 -25.057 2.510 1.00 18.22 C ATOM 583 O HIS A 96 24.782 -23.842 2.369 1.00 18.94 O ATOM 584 CB HIS A 96 23.890 -26.617 0.839 1.00 17.58 C ATOM 585 CG HIS A 96 24.017 -27.365 -0.457 1.00 16.90 C ATOM 586 ND1 HIS A 96 24.923 -27.019 -1.434 1.00 15.62 N ATOM 587 CD2 HIS A 96 23.371 -28.460 -0.919 1.00 18.23 C ATOM 588 CE1 HIS A 96 24.839 -27.875 -2.440 1.00 16.07 C ATOM 589 NE2 HIS A 96 23.904 -28.759 -2.151 1.00 17.70 N ATOM 590 N ARG A 97 24.798 -25.638 3.694 1.00 17.37 N ATOM 591 CA ARG A 97 24.525 -24.832 4.873 1.00 15.09 C ATOM 592 C ARG A 97 25.645 -23.820 5.118 1.00 16.62 C ATOM 593 O ARG A 97 25.395 -22.678 5.494 1.00 16.57 O ATOM 594 CB ARG A 97 24.314 -25.730 6.093 1.00 12.02 C ATOM 595 CG ARG A 97 23.811 -24.994 7.323 1.00 11.33 C ATOM 596 CD ARG A 97 23.642 -25.948 8.472 1.00 12.38 C ATOM 597 NE ARG A 97 22.697 -27.032 8.216 1.00 15.31 N ATOM 598 CZ ARG A 97 21.422 -27.040 8.630 1.00 17.96 C ATOM 599 NH1 ARG A 97 20.921 -26.012 9.312 1.00 15.89 N ATOM 600 NH2 ARG A 97 20.666 -28.118 8.441 1.00 18.19 N ATOM 601 N LYS A 98 26.883 -24.219 4.861 1.00 19.25 N ATOM 602 CA LYS A 98 27.998 -23.312 5.072 1.00 20.50 C ATOM 603 C LYS A 98 27.983 -22.184 4.079 1.00 18.09 C ATOM 604 O LYS A 98 28.003 -21.023 4.478 1.00 20.14 O ATOM 605 CB LYS A 98 29.324 -24.039 4.974 1.00 27.06 C ATOM 606 CG LYS A 98 29.808 -24.623 6.264 1.00 33.25 C ATOM 607 CD LYS A 98 31.240 -25.071 6.082 1.00 39.81 C ATOM 608 CE LYS A 98 32.090 -23.947 5.472 1.00 44.47 C ATOM 609 NZ LYS A 98 32.296 -22.815 6.427 1.00 47.34 N ATOM 610 N ILE A 99 27.949 -22.524 2.788 1.00 15.40 N ATOM 611 CA ILE A 99 27.938 -21.523 1.717 1.00 15.01 C ATOM 612 C ILE A 99 26.802 -20.529 1.923 1.00 17.44 C ATOM 613 O ILE A 99 27.014 -19.307 1.926 1.00 18.10 O ATOM 614 CB ILE A 99 27.728 -22.153 0.328 1.00 15.52 C ATOM 615 CG1 ILE A 99 28.645 -23.348 0.118 1.00 16.84 C ATOM 616 CG2 ILE A 99 28.032 -21.138 -0.728 1.00 16.45 C ATOM 617 CD1 ILE A 99 30.108 -22.999 0.168 1.00 18.50 C ATOM 618 N TYR A 100 25.598 -21.070 2.126 1.00 19.20 N ATOM 619 CA TYR A 100 24.403 -20.267 2.326 1.00 18.81 C ATOM 620 C TYR A 100 24.547 -19.345 3.510 1.00 16.22 C ATOM 621 O TYR A 100 24.117 -18.185 3.454 1.00 19.82 O ATOM 622 CB TYR A 100 23.190 -21.153 2.496 1.00 24.97 C ATOM 623 CG TYR A 100 21.898 -20.417 2.284 1.00 30.83 C ATOM 624 CD1 TYR A 100 21.482 -20.044 1.004 1.00 31.83 C ATOM 625 CD2 TYR A 100 21.095 -20.079 3.366 1.00 35.02 C ATOM 626 CE1 TYR A 100 20.306 -19.348 0.814 1.00 34.30 C ATOM 627 CE2 TYR A 100 19.917 -19.384 3.192 1.00 37.14 C ATOM 628 CZ TYR A 100 19.526 -19.019 1.921 1.00 38.42 C ATOM 629 OH TYR A 100 18.367 -18.281 1.803 1.00 42.34 O ATOM 630 N THR A 101 25.186 -19.830 4.566 1.00 11.06 N ATOM 631 CA THR A 101 25.388 -18.998 5.738 1.00 13.10 C ATOM 632 C THR A 101 26.369 -17.858 5.493 1.00 11.97 C ATOM 633 O THR A 101 26.133 -16.706 5.874 1.00 11.20 O ATOM 634 CB THR A 101 25.880 -19.837 6.946 1.00 19.30 C ATOM 635 OG1 THR A 101 24.880 -20.809 7.296 1.00 23.86 O ATOM 636 CG2 THR A 101 26.154 -18.938 8.162 1.00 18.32 C ATOM 637 N MET A 102 27.494 -18.180 4.873 1.00 13.67 N ATOM 638 CA MET A 102 28.506 -17.169 4.622 1.00 14.03 C ATOM 639 C MET A 102 27.932 -16.089 3.752 1.00 13.43 C ATOM 640 O MET A 102 28.082 -14.910 4.059 1.00 13.36 O ATOM 641 CB MET A 102 29.748 -17.787 3.990 1.00 15.52 C ATOM 642 CG MET A 102 30.469 -18.757 4.907 1.00 16.74 C ATOM 643 SD MET A 102 32.005 -19.317 4.198 1.00 19.43 S ATOM 644 CE MET A 102 31.533 -20.724 3.326 1.00 17.64 C ATOM 645 N ILE A 103 27.232 -16.506 2.697 1.00 15.07 N ATOM 646 CA ILE A 103 26.593 -15.577 1.774 1.00 17.58 C ATOM 647 C ILE A 103 25.575 -14.690 2.508 1.00 20.37 C ATOM 648 O ILE A 103 25.527 -13.486 2.277 1.00 18.95 O ATOM 649 CB ILE A 103 25.883 -16.321 0.634 1.00 17.88 C ATOM 650 CG1 ILE A 103 26.896 -17.111 -0.193 1.00 17.49 C ATOM 651 CG2 ILE A 103 25.152 -15.335 -0.267 1.00 17.47 C ATOM 652 CD1 ILE A 103 26.266 -17.985 -1.286 1.00 15.46 C ATOM 653 N TYR A 104 24.791 -15.269 3.417 1.00 26.57 N ATOM 654 CA TYR A 104 23.812 -14.487 4.168 1.00 30.90 C ATOM 655 C TYR A 104 24.384 -13.445 5.095 1.00 31.73 C ATOM 656 O TYR A 104 23.786 -12.399 5.278 1.00 31.18 O ATOM 657 CB TYR A 104 22.841 -15.375 4.922 1.00 36.22 C ATOM 658 CG TYR A 104 21.502 -15.350 4.254 1.00 43.21 C ATOM 659 CD1 TYR A 104 21.219 -16.222 3.208 1.00 46.10 C ATOM 660 CD2 TYR A 104 20.546 -14.381 4.591 1.00 47.20 C ATOM 661 CE1 TYR A 104 20.031 -16.134 2.505 1.00 49.00 C ATOM 662 CE2 TYR A 104 19.338 -14.286 3.885 1.00 50.18 C ATOM 663 CZ TYR A 104 19.091 -15.175 2.840 1.00 51.57 C ATOM 664 OH TYR A 104 17.904 -15.133 2.138 1.00 53.78 O ATOM 665 N ARG A 105 25.558 -13.712 5.652 1.00 35.53 N ATOM 666 CA ARG A 105 26.227 -12.764 6.549 1.00 34.37 C ATOM 667 C ARG A 105 26.539 -11.468 5.814 1.00 30.61 C ATOM 668 O ARG A 105 26.762 -10.429 6.439 1.00 32.92 O ATOM 669 CB ARG A 105 27.538 -13.365 7.096 1.00 38.15 C ATOM 670 CG ARG A 105 27.350 -14.668 7.876 1.00 43.81 C ATOM 671 CD ARG A 105 28.516 -14.975 8.808 1.00 49.18 C ATOM 672 NE ARG A 105 29.578 -15.760 8.174 1.00 54.51 N ATOM 673 CZ ARG A 105 30.684 -15.253 7.623 1.00 57.35 C ATOM 674 NH1 ARG A 105 30.904 -13.938 7.603 1.00 58.70 N ATOM 675 NH2 ARG A 105 31.589 -16.072 7.106 1.00 57.31 N ATOM 676 N ASN A 106 26.546 -11.532 4.487 1.00 27.25 N ATOM 677 CA ASN A 106 26.864 -10.377 3.657 1.00 27.34 C ATOM 678 C ASN A 106 25.679 -9.699 3.022 1.00 27.34 C ATOM 679 O ASN A 106 25.842 -8.848 2.149 1.00 25.54 O ATOM 680 CB ASN A 106 27.853 -10.770 2.563 1.00 30.39 C ATOM 681 CG ASN A 106 29.258 -10.946 3.091 1.00 30.78 C ATOM 682 OD1 ASN A 106 29.664 -12.058 3.420 1.00 31.77 O ATOM 683 ND2 ASN A 106 30.002 -9.839 3.207 1.00 28.54 N ATOM 684 N LEU A 107 24.487 -10.065 3.465 1.00 29.67 N ATOM 685 CA LEU A 107 23.276 -9.482 2.929 1.00 28.94 C ATOM 686 C LEU A 107 22.467 -8.866 4.044 1.00 30.37 C ATOM 687 O LEU A 107 22.684 -9.133 5.225 1.00 29.22 O ATOM 688 CB LEU A 107 22.390 -10.558 2.300 1.00 25.42 C ATOM 689 CG LEU A 107 22.846 -11.433 1.151 1.00 22.75 C ATOM 690 CD1 LEU A 107 21.897 -12.599 1.086 1.00 23.42 C ATOM 691 CD2 LEU A 107 22.903 -10.680 -0.153 1.00 20.95 C ATOM 692 N VAL A 108 21.459 -8.118 3.631 1.00 32.60 N ATOM 693 CA VAL A 108 20.518 -7.502 4.535 1.00 34.59 C ATOM 694 C VAL A 108 19.180 -7.624 3.820 1.00 34.90 C ATOM 695 O VAL A 108 19.119 -7.559 2.589 1.00 32.74 O ATOM 696 CB VAL A 108 20.914 -6.048 4.869 1.00 36.33 C ATOM 697 CG1 VAL A 108 21.650 -5.412 3.709 1.00 37.75 C ATOM 698 CG2 VAL A 108 19.690 -5.236 5.243 1.00 36.99 C ATOM 699 N VAL A 109 18.143 -7.864 4.619 1.00 38.64 N ATOM 700 CA VAL A 109 16.736 -8.058 4.213 1.00 40.78 C ATOM 701 C VAL A 109 16.520 -9.550 3.941 1.00 42.51 C ATOM 702 O VAL A 109 17.481 -10.242 3.539 1.00 42.68 O ATOM 703 CB VAL A 109 16.277 -7.204 2.975 1.00 41.86 C ATOM 704 CG1 VAL A 109 14.762 -7.298 2.791 1.00 41.92 C ATOM 705 CG2 VAL A 109 16.649 -5.745 3.141 1.00 43.61 C TER 706 VAL A 109 ATOM 707 N GLU B 17 32.075 -34.286 -11.853 1.00 52.56 N ATOM 708 CA GLU B 17 31.206 -33.198 -11.326 1.00 50.89 C ATOM 709 C GLU B 17 31.909 -31.865 -11.563 1.00 44.52 C ATOM 710 O GLU B 17 32.999 -31.632 -11.049 1.00 46.37 O ATOM 711 CB GLU B 17 30.912 -33.429 -9.824 1.00 55.17 C ATOM 712 CG GLU B 17 32.078 -34.013 -8.980 1.00 58.48 C ATOM 713 CD GLU B 17 32.839 -32.976 -8.139 1.00 60.32 C ATOM 714 OE1 GLU B 17 32.302 -32.543 -7.098 1.00 60.54 O ATOM 715 OE2 GLU B 17 33.988 -32.618 -8.498 1.00 60.63 O ATOM 716 N THR B 17Z 31.324 -31.015 -12.390 1.00 36.89 N ATOM 717 CA THR B 17Z 31.948 -29.737 -12.658 1.00 32.17 C ATOM 718 C THR B 17Z 31.419 -28.661 -11.707 1.00 26.92 C ATOM 719 O THR B 17Z 30.376 -28.848 -11.062 1.00 25.44 O ATOM 720 CB THR B 17Z 31.733 -29.316 -14.107 1.00 33.65 C ATOM 721 OG1 THR B 17Z 30.372 -28.917 -14.291 1.00 33.86 O ATOM 722 CG2 THR B 17Z 32.040 -30.485 -15.032 1.00 35.00 C ATOM 723 N PHE B 19 32.143 -27.542 -11.625 1.00 22.45 N ATOM 724 CA PHE B 19 31.769 -26.453 -10.742 1.00 17.73 C ATOM 725 C PHE B 19 30.344 -26.019 -10.974 1.00 21.74 C ATOM 726 O PHE B 19 29.549 -25.992 -10.043 1.00 22.84 O ATOM 727 CB PHE B 19 32.674 -25.245 -10.916 1.00 12.04 C ATOM 728 CG PHE B 19 32.265 -24.076 -10.062 1.00 12.01 C ATOM 729 CD1 PHE B 19 32.438 -24.116 -8.685 1.00 12.17 C ATOM 730 CD2 PHE B 19 31.667 -22.955 -10.628 1.00 11.53 C ATOM 731 CE1 PHE B 19 32.021 -23.055 -7.889 1.00 13.45 C ATOM 732 CE2 PHE B 19 31.246 -21.888 -9.839 1.00 10.96 C ATOM 733 CZ PHE B 19 31.421 -21.935 -8.468 1.00 11.75 C ATOM 734 N SER B 20 30.030 -25.693 -12.225 1.00 24.64 N ATOM 735 CA SER B 20 28.703 -25.237 -12.606 1.00 26.30 C ATOM 736 C SER B 20 27.575 -26.173 -12.205 1.00 27.49 C ATOM 737 O SER B 20 26.509 -25.712 -11.822 1.00 28.40 O ATOM 738 CB SER B 20 28.652 -24.947 -14.093 1.00 27.55 C ATOM 739 OG SER B 20 28.286 -23.593 -14.268 1.00 30.01 O ATOM 740 N ASP B 21 27.809 -27.478 -12.284 1.00 27.30 N ATOM 741 CA ASP B 21 26.814 -28.452 -11.882 1.00 28.79 C ATOM 742 C ASP B 21 26.639 -28.352 -10.378 1.00 29.54 C ATOM 743 O ASP B 21 25.519 -28.300 -9.873 1.00 33.11 O ATOM 744 CB ASP B 21 27.281 -29.875 -12.205 1.00 33.00 C ATOM 745 CG ASP B 21 27.479 -30.112 -13.692 1.00 38.52 C ATOM 746 OD1 ASP B 21 26.877 -29.358 -14.503 1.00 39.73 O ATOM 747 OD2 ASP B 21 28.238 -31.057 -14.042 1.00 40.32 O ATOM 748 N LEU B 22 27.761 -28.324 -9.665 1.00 26.27 N ATOM 749 CA LEU B 22 27.753 -28.274 -8.217 1.00 21.85 C ATOM 750 C LEU B 22 27.124 -27.006 -7.657 1.00 22.11 C ATOM 751 O LEU B 22 26.320 -27.064 -6.716 1.00 24.72 O ATOM 752 CB LEU B 22 29.180 -28.412 -7.685 1.00 18.73 C ATOM 753 CG LEU B 22 29.872 -29.738 -7.354 1.00 15.80 C ATOM 754 CD1 LEU B 22 29.042 -30.916 -7.782 1.00 14.53 C ATOM 755 CD2 LEU B 22 31.236 -29.774 -8.020 1.00 14.98 C ATOM 756 N TRP B 23 27.477 -25.871 -8.251 1.00 19.21 N ATOM 757 CA TRP B 23 27.021 -24.553 -7.803 1.00 20.10 C ATOM 758 C TRP B 23 25.532 -24.284 -8.011 1.00 25.27 C ATOM 759 O TRP B 23 24.919 -23.498 -7.297 1.00 27.09 O ATOM 760 CB TRP B 23 27.892 -23.448 -8.451 1.00 14.64 C ATOM 761 CG TRP B 23 27.585 -22.055 -8.009 1.00 11.74 C ATOM 762 CD1 TRP B 23 26.730 -21.178 -8.613 1.00 10.40 C ATOM 763 CD2 TRP B 23 28.090 -21.382 -6.842 1.00 11.59 C ATOM 764 NE1 TRP B 23 26.659 -20.002 -7.892 1.00 8.62 N ATOM 765 CE2 TRP B 23 27.478 -20.101 -6.799 1.00 10.54 C ATOM 766 CE3 TRP B 23 28.990 -21.731 -5.830 1.00 11.67 C ATOM 767 CZ2 TRP B 23 27.738 -19.177 -5.784 1.00 11.03 C ATOM 768 CZ3 TRP B 23 29.251 -20.809 -4.825 1.00 10.73 C ATOM 769 CH2 TRP B 23 28.623 -19.548 -4.812 1.00 10.81 C ATOM 770 N LYS B 24 24.939 -24.930 -8.991 1.00 30.12 N ATOM 771 CA LYS B 24 23.530 -24.716 -9.231 1.00 35.48 C ATOM 772 C LYS B 24 22.646 -25.442 -8.219 1.00 35.68 C ATOM 773 O LYS B 24 21.451 -25.171 -8.134 1.00 39.75 O ATOM 774 CB LYS B 24 23.180 -25.083 -10.671 1.00 41.39 C ATOM 775 CG LYS B 24 23.805 -24.114 -11.676 1.00 46.84 C ATOM 776 CD LYS B 24 23.803 -24.649 -13.100 1.00 50.66 C ATOM 777 CE LYS B 24 24.657 -23.764 -13.999 1.00 52.44 C ATOM 778 NZ LYS B 24 24.754 -24.351 -15.355 1.00 53.53 N ATOM 779 N LEU B 25 23.240 -26.308 -7.408 1.00 31.53 N ATOM 780 CA LEU B 25 22.485 -27.035 -6.394 1.00 28.43 C ATOM 781 C LEU B 25 22.403 -26.295 -5.067 1.00 27.36 C ATOM 782 O LEU B 25 22.155 -26.900 -4.030 1.00 28.91 O ATOM 783 CB LEU B 25 23.113 -28.401 -6.153 1.00 28.84 C ATOM 784 CG LEU B 25 23.201 -29.321 -7.366 1.00 30.87 C ATOM 785 CD1 LEU B 25 23.891 -30.600 -6.922 1.00 30.42 C ATOM 786 CD2 LEU B 25 21.808 -29.605 -7.945 1.00 30.75 C ATOM 787 N LEU B 26 22.657 -24.998 -5.083 1.00 28.16 N ATOM 788 CA LEU B 26 22.616 -24.202 -3.862 1.00 30.58 C ATOM 789 C LEU B 26 21.235 -23.583 -3.733 1.00 32.69 C ATOM 790 O LEU B 26 20.630 -23.223 -4.753 1.00 33.43 O ATOM 791 CB LEU B 26 23.652 -23.069 -3.918 1.00 30.27 C ATOM 792 CG LEU B 26 25.131 -23.345 -4.163 1.00 29.57 C ATOM 793 CD1 LEU B 26 25.825 -22.010 -4.268 1.00 29.65 C ATOM 794 CD2 LEU B 26 25.723 -24.177 -3.038 1.00 29.90 C ATOM 795 N PRO B 27 20.753 -23.387 -2.477 1.00 32.15 N ATOM 796 CA PRO B 27 19.442 -22.801 -2.172 1.00 32.91 C ATOM 797 C PRO B 27 19.329 -21.458 -2.877 1.00 36.74 C ATOM 798 O PRO B 27 20.105 -20.538 -2.608 1.00 37.93 O ATOM 799 CB PRO B 27 19.491 -22.646 -0.660 1.00 31.00 C ATOM 800 CG PRO B 27 20.369 -23.774 -0.245 1.00 28.74 C ATOM 801 CD PRO B 27 21.480 -23.661 -1.226 1.00 29.37 C ATOM 802 N GLU B 28 18.368 -21.373 -3.794 1.00 39.68 N ATOM 803 CA GLU B 28 18.139 -20.187 -4.619 1.00 41.42 C ATOM 804 C GLU B 28 17.306 -19.049 -4.048 1.00 41.07 C ATOM 805 O GLU B 28 17.039 -18.062 -4.733 1.00 44.94 O ATOM 806 CB GLU B 28 17.603 -20.610 -5.988 1.00 43.50 C ATOM 807 CG GLU B 28 16.553 -21.693 -5.923 1.00 46.41 C ATOM 808 CD GLU B 28 16.395 -22.434 -7.228 1.00 50.74 C ATOM 809 OE1 GLU B 28 17.341 -22.426 -8.054 1.00 50.52 O ATOM 810 OE2 GLU B 28 15.315 -23.043 -7.418 1.00 54.75 O ATOM 811 N ASN B 29 16.925 -19.172 -2.791 1.00 37.74 N ATOM 812 CA ASN B 29 16.147 -18.147 -2.112 1.00 37.72 C ATOM 813 C ASN B 29 16.548 -18.261 -0.669 1.00 30.80 C ATOM 814 O ASN B 29 17.159 -19.284 -0.370 1.00 28.87 O ATOM 815 CB ASN B 29 14.634 -18.393 -2.256 1.00 44.98 C ATOM 816 CG ASN B 29 14.044 -17.784 -3.540 1.00 49.82 C ATOM 817 OD1 ASN B 29 14.536 -16.773 -4.071 1.00 50.99 O ATOM 818 ND2 ASN B 29 12.963 -18.387 -4.023 1.00 51.64 N ATOM 819 OXT ASN B 29 16.296 -17.351 0.139 1.00 30.36 O TER 820 ASN B 29 MASTER 247 0 0 5 2 0 0 6 818 2 0 11 END