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*** 4GAL_A ***elNémo ID: 2406081238371662626Job options:ID = 2406081238371662626 JOBID = 4GAL_A USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 4GAL_A HEADER LECTIN 13-JUL-98 4GAL TITLE CRYSTAL STRUCTURE OF HUMAN GALECTIN-7 IN COMPLEX WITH LACTOSE COMPND MOL_ID: 1; COMPND 2 MOLECULE: GALECTIN-7; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_PLASMID: BL21 KEYWDS GALAPTIN, LECTIN, GALECTIN, CARBOHYDRATE BINDING EXPDTA X-RAY DIFFRACTION AUTHOR D.D.LEONIDAS,K.R.ACHARYA REVDAT 5 29-JUL-20 4GAL 1 COMPND REMARK HETNAM LINK REVDAT 5 2 1 SITE ATOM REVDAT 4 28-JUL-09 4GAL 1 HET HETATM REVDAT 3 24-FEB-09 4GAL 1 VERSN REVDAT 2 01-APR-03 4GAL 1 JRNL REVDAT 1 04-NOV-98 4GAL 0 JRNL AUTH D.D.LEONIDAS,E.H.VATZAKI,H.VORUM,J.E.CELIS,P.MADSEN, JRNL AUTH 2 K.R.ACHARYA JRNL TITL STRUCTURAL BASIS FOR THE RECOGNITION OF CARBOHYDRATES BY JRNL TITL 2 HUMAN GALECTIN-7. JRNL REF BIOCHEMISTRY V. 37 13930 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9760227 JRNL DOI 10.1021/BI981056X REMARK 2 REMARK 2 RESOLUTION. 1.95 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.95 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.5 REMARK 3 NUMBER OF REFLECTIONS : 19174 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.200 REMARK 3 FREE R VALUE : 0.255 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 932 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.95 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.07 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.70 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2987 REMARK 3 BIN R VALUE (WORKING SET) : 0.3120 REMARK 3 BIN FREE R VALUE : 0.3330 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 146 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.028 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2116 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 23 REMARK 3 SOLVENT ATOMS : 86 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 19.80 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 38.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.26 REMARK 3 ESD FROM SIGMAA (A) : 0.30 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 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) : 0.28 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.700 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 30.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.790 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.730 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.960 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.780 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.430 ; 2.500 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 : PROTEIN_REP REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 PARAMETER FILE 3 : PARAM3.CHO REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PR REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : TOPH3.CHO REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 4GAL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000179323. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : AUG-97 REMARK 200 TEMPERATURE (KELVIN) : 289 REMARK 200 PH : 8.1 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SRS REMARK 200 BEAMLINE : PX9.5 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.98 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19246 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.950 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 REMARK 200 DATA REDUNDANCY : 4.200 REMARK 200 R MERGE (I) : 0.04700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.95 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.05 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.4 REMARK 200 DATA REDUNDANCY IN SHELL : 4.50 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.41000 REMARK 200 FOR SHELL : 3.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.851 REMARK 200 STARTING MODEL: FREE GALECTIN-7 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALS WERE GROWN USING THE HANGING REMARK 280 DROP METHOD FROM DROPS CONTAINING 9 MG/ML PROTEIN AT PH 8.1 IN REMARK 280 50 MM SODIUM PHOSPHATE BUFFER, 0.3 M SODIUM CHLORIDE, 20 MM REMARK 280 IMIDAZOLE, 8.5% PEG 3350. DROPS WERE EQUILIBRATED AGAINST REMARK 280 RESERVOIRS CONTAINING 50 MM SODIUM PHOSPHATE BUFFER, 0.3 M REMARK 280 SODIUM CHLORIDE, 20 MM IMIDAZOLE, 17% PEG 3350. GALECTIN-7 REMARK 280 CRYSTALS WERE THEN SOAKED WITH 5 MM LACTOSE FOR 2 HRS., VAPOR REMARK 280 DIFFUSION - HANGING DROP, VAPOR DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 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 27.14500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 36.76000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 32.70500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 36.76000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 27.14500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 32.70500 REMARK 290 SMTRY3 4 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 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 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 VAL A 3 178.70 49.74 REMARK 500 PRO A 79 35.63 -89.29 REMARK 500 ASP A 130 -64.59 -95.93 REMARK 500 ASN B 2 74.78 -106.79 REMARK 500 TRP B 69 -179.18 -67.26 REMARK 500 PRO B 79 20.16 -79.68 REMARK 500 REMARK 500 REMARK: NULL DBREF 4GAL A 1 135 UNP P47929 LEG7_HUMAN 1 135 DBREF 4GAL B 1 135 UNP P47929 LEG7_HUMAN 1 135 SEQRES 1 A 135 SER ASN VAL PRO HIS LYS SER SER LEU PRO GLU GLY ILE SEQRES 2 A 135 ARG PRO GLY THR VAL LEU ARG ILE ARG GLY LEU VAL PRO SEQRES 3 A 135 PRO ASN ALA SER ARG PHE HIS VAL ASN LEU LEU CYS GLY SEQRES 4 A 135 GLU GLU GLN GLY SER ASP ALA ALA LEU HIS PHE ASN PRO SEQRES 5 A 135 ARG LEU ASP THR SER GLU VAL VAL PHE ASN SER LYS GLU SEQRES 6 A 135 GLN GLY SER TRP GLY ARG GLU GLU ARG GLY PRO GLY VAL SEQRES 7 A 135 PRO PHE GLN ARG GLY GLN PRO PHE GLU VAL LEU ILE ILE SEQRES 8 A 135 ALA SER ASP ASP GLY PHE LYS ALA VAL VAL GLY ASP ALA SEQRES 9 A 135 GLN TYR HIS HIS PHE ARG HIS ARG LEU PRO LEU ALA ARG SEQRES 10 A 135 VAL ARG LEU VAL GLU VAL GLY GLY ASP VAL GLN LEU ASP SEQRES 11 A 135 SER VAL ARG ILE PHE SEQRES 1 B 135 SER ASN VAL PRO HIS LYS SER SER LEU PRO GLU GLY ILE SEQRES 2 B 135 ARG PRO GLY THR VAL LEU ARG ILE ARG GLY LEU VAL PRO SEQRES 3 B 135 PRO ASN ALA SER ARG PHE HIS VAL ASN LEU LEU CYS GLY SEQRES 4 B 135 GLU GLU GLN GLY SER ASP ALA ALA LEU HIS PHE ASN PRO SEQRES 5 B 135 ARG LEU ASP THR SER GLU VAL VAL PHE ASN SER LYS GLU SEQRES 6 B 135 GLN GLY SER TRP GLY ARG GLU GLU ARG GLY PRO GLY VAL SEQRES 7 B 135 PRO PHE GLN ARG GLY GLN PRO PHE GLU VAL LEU ILE ILE SEQRES 8 B 135 ALA SER ASP ASP GLY PHE LYS ALA VAL VAL GLY ASP ALA SEQRES 9 B 135 GLN TYR HIS HIS PHE ARG HIS ARG LEU PRO LEU ALA ARG SEQRES 10 B 135 VAL ARG LEU VAL GLU VAL GLY GLY ASP VAL GLN LEU ASP SEQRES 11 B 135 SER VAL ARG ILE PHE HET BGC C 1 12 HET GAL C 2 11 HETNAM BGC BETA-D-GLUCOPYRANOSE HETNAM GAL BETA-D-GALACTOPYRANOSE FORMUL 3 BGC C6 H12 O6 FORMUL 3 GAL C6 H12 O6 FORMUL 4 HOH *86(H2 O) HELIX 1 1 LEU A 115 ARG A 117 1 3 SHEET 1 1 1 HIS A 5 SER A 8 0 SHEET 2 2 1 THR A 17 VAL A 25 0 SHEET 3 3 1 PHE A 32 LEU A 37 0 SHEET 4 4 1 ALA A 46 ARG A 53 0 SHEET 5 5 1 GLU A 58 ASN A 62 0 SHEET 6 6 1 GLN A 84 ALA A 92 0 SHEET 7 7 1 GLY A 96 VAL A 101 0 SHEET 8 8 1 ALA A 104 ARG A 110 0 SHEET 9 9 1 LEU A 120 GLY A 125 0 SHEET 10 10 1 GLN A 128 PHE A 135 0 LINK O4 BGC C 1 C1 GAL C 2 1555 1555 1.39 CRYST1 54.290 65.410 73.520 90.00 90.00 90.00 P 21 21 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 0.018420 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015288 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013602 0.00000 MTRIX1 1 -0.280375 -0.652197 -0.704293 99.04443 1 MTRIX2 1 -0.713289 -0.349438 0.607546 44.72269 1 MTRIX3 1 -0.642346 0.672705 -0.367231 61.22839 1 ATOM 1 N SER A 1 22.641 43.373 82.312 1.00 84.13 N ATOM 2 CA SER A 1 22.252 43.904 80.971 1.00 83.75 C ATOM 3 C SER A 1 22.289 42.794 79.920 1.00 84.05 C ATOM 4 O SER A 1 21.562 41.799 80.005 1.00 84.23 O ATOM 5 CB SER A 1 23.200 45.040 80.544 1.00 82.35 C ATOM 6 OG SER A 1 24.150 45.339 81.553 1.00 79.61 O ATOM 7 N ASN A 2 23.153 42.979 78.930 1.00 83.68 N ATOM 8 CA ASN A 2 23.314 42.021 77.843 1.00 82.51 C ATOM 9 C ASN A 2 24.442 41.013 78.104 1.00 80.38 C ATOM 10 O ASN A 2 24.514 39.975 77.432 1.00 80.21 O ATOM 11 CB ASN A 2 23.606 42.780 76.555 1.00 84.70 C ATOM 12 CG ASN A 2 24.882 43.614 76.644 1.00 85.64 C ATOM 13 OD1 ASN A 2 25.781 43.500 75.799 1.00 86.67 O ATOM 14 ND2 ASN A 2 24.962 44.457 77.667 1.00 85.17 N ATOM 15 N VAL A 3 25.325 41.344 79.056 1.00 76.97 N ATOM 16 CA VAL A 3 26.469 40.503 79.441 1.00 71.92 C ATOM 17 C VAL A 3 27.269 40.057 78.191 1.00 66.00 C ATOM 18 O VAL A 3 26.914 40.436 77.062 1.00 66.71 O ATOM 19 CB VAL A 3 25.947 39.294 80.307 1.00 74.47 C ATOM 20 CG1 VAL A 3 26.006 37.961 79.524 1.00 76.04 C ATOM 21 CG2 VAL A 3 26.725 39.226 81.620 1.00 74.63 C ATOM 22 N PRO A 4 28.377 39.294 78.367 1.00 59.07 N ATOM 23 CA PRO A 4 29.103 38.891 77.152 1.00 53.42 C ATOM 24 C PRO A 4 28.164 38.111 76.254 1.00 48.74 C ATOM 25 O PRO A 4 27.588 37.108 76.673 1.00 48.38 O ATOM 26 CB PRO A 4 30.245 38.016 77.670 1.00 52.37 C ATOM 27 CG PRO A 4 29.819 37.603 79.023 1.00 55.36 C ATOM 28 CD PRO A 4 29.027 38.758 79.572 1.00 57.36 C ATOM 29 N HIS A 5 27.995 38.593 75.029 1.00 43.31 N ATOM 30 CA HIS A 5 27.118 37.948 74.079 1.00 38.14 C ATOM 31 C HIS A 5 27.893 37.098 73.087 1.00 35.74 C ATOM 32 O HIS A 5 28.875 37.560 72.490 1.00 32.12 O ATOM 33 CB HIS A 5 26.297 38.997 73.326 1.00 39.72 C ATOM 34 CG HIS A 5 25.643 38.470 72.082 1.00 42.36 C ATOM 35 ND1 HIS A 5 24.316 38.096 72.040 1.00 41.78 N ATOM 36 CD2 HIS A 5 26.142 38.238 70.842 1.00 42.58 C ATOM 37 CE1 HIS A 5 24.026 37.656 70.828 1.00 42.32 C ATOM 38 NE2 HIS A 5 25.115 37.732 70.082 1.00 43.09 N ATOM 39 N LYS A 6 27.422 35.860 72.916 1.00 33.74 N ATOM 40 CA LYS A 6 28.009 34.895 72.000 1.00 35.28 C ATOM 41 C LYS A 6 26.973 34.351 71.017 1.00 35.97 C ATOM 42 O LYS A 6 25.893 33.901 71.422 1.00 36.22 O ATOM 43 CB LYS A 6 28.594 33.719 72.772 1.00 36.79 C ATOM 44 CG LYS A 6 30.095 33.686 72.783 1.00 42.95 C ATOM 45 CD LYS A 6 30.640 34.191 74.119 1.00 48.97 C ATOM 46 CE LYS A 6 31.899 33.427 74.550 1.00 51.27 C ATOM 47 NZ LYS A 6 31.671 31.942 74.637 1.00 52.56 N ATOM 48 N SER A 7 27.316 34.400 69.729 1.00 34.51 N ATOM 49 CA SER A 7 26.474 33.887 68.658 1.00 33.69 C ATOM 50 C SER A 7 27.369 32.970 67.880 1.00 34.04 C ATOM 51 O SER A 7 28.441 33.371 67.442 1.00 32.56 O ATOM 52 CB SER A 7 26.015 34.980 67.708 1.00 34.05 C ATOM 53 OG SER A 7 25.386 36.034 68.388 1.00 40.14 O ATOM 54 N SER A 8 26.922 31.739 67.697 1.00 36.60 N ATOM 55 CA SER A 8 27.686 30.746 66.962 1.00 37.58 C ATOM 56 C SER A 8 27.412 30.852 65.456 1.00 37.49 C ATOM 57 O SER A 8 26.322 31.241 65.047 1.00 40.86 O ATOM 58 CB SER A 8 27.316 29.356 67.486 1.00 38.02 C ATOM 59 OG SER A 8 28.259 28.402 67.058 1.00 46.03 O ATOM 60 N LEU A 9 28.406 30.539 64.635 1.00 35.40 N ATOM 61 CA LEU A 9 28.243 30.581 63.184 1.00 36.25 C ATOM 62 C LEU A 9 28.912 29.313 62.654 1.00 39.13 C ATOM 63 O LEU A 9 30.018 29.339 62.106 1.00 38.79 O ATOM 64 CB LEU A 9 28.910 31.830 62.605 1.00 34.97 C ATOM 65 CG LEU A 9 28.510 33.170 63.199 1.00 33.45 C ATOM 66 CD1 LEU A 9 29.598 34.161 62.886 1.00 34.14 C ATOM 67 CD2 LEU A 9 27.198 33.622 62.618 1.00 33.37 C ATOM 68 N PRO A 10 28.222 28.180 62.793 1.00 41.90 N ATOM 69 CA PRO A 10 28.649 26.837 62.386 1.00 44.42 C ATOM 70 C PRO A 10 29.171 26.712 60.963 1.00 46.88 C ATOM 71 O PRO A 10 30.195 26.068 60.722 1.00 48.03 O ATOM 72 CB PRO A 10 27.398 25.991 62.600 1.00 44.35 C ATOM 73 CG PRO A 10 26.263 27.000 62.597 1.00 44.50 C ATOM 74 CD PRO A 10 26.848 28.162 63.314 1.00 42.36 C ATOM 75 N GLU A 11 28.444 27.313 60.023 1.00 48.34 N ATOM 76 CA GLU A 11 28.815 27.274 58.617 1.00 48.07 C ATOM 77 C GLU A 11 29.828 28.371 58.280 1.00 46.31 C ATOM 78 O GLU A 11 30.319 28.433 57.158 1.00 46.42 O ATOM 79 CB GLU A 11 27.565 27.440 57.752 1.00 52.36 C ATOM 80 CG GLU A 11 26.478 26.392 57.970 1.00 59.90 C ATOM 81 CD GLU A 11 25.729 26.034 56.674 1.00 66.49 C ATOM 82 OE1 GLU A 11 26.157 26.484 55.579 1.00 68.98 O ATOM 83 OE2 GLU A 11 24.711 25.299 56.746 1.00 68.30 O ATOM 84 N GLY A 12 30.138 29.224 59.255 1.00 44.60 N ATOM 85 CA GLY A 12 31.084 30.307 59.034 1.00 42.58 C ATOM 86 C GLY A 12 30.402 31.474 58.340 1.00 41.79 C ATOM 87 O GLY A 12 29.173 31.545 58.317 1.00 40.83 O ATOM 88 N ILE A 13 31.180 32.387 57.769 1.00 40.59 N ATOM 89 CA ILE A 13 30.603 33.530 57.069 1.00 39.48 C ATOM 90 C ILE A 13 31.222 33.726 55.691 1.00 38.39 C ATOM 91 O ILE A 13 32.381 33.388 55.466 1.00 39.26 O ATOM 92 CB ILE A 13 30.772 34.808 57.887 1.00 41.57 C ATOM 93 CG1 ILE A 13 32.217 34.926 58.369 1.00 44.16 C ATOM 94 CG2 ILE A 13 29.808 34.779 59.083 1.00 43.13 C ATOM 95 CD1 ILE A 13 32.486 36.176 59.203 1.00 47.44 C ATOM 96 N ARG A 14 30.441 34.263 54.760 1.00 37.52 N ATOM 97 CA ARG A 14 30.915 34.499 53.396 1.00 36.91 C ATOM 98 C ARG A 14 30.742 35.967 53.000 1.00 34.03 C ATOM 99 O ARG A 14 30.058 36.721 53.693 1.00 32.61 O ATOM 100 CB ARG A 14 30.128 33.619 52.422 1.00 41.43 C ATOM 101 CG ARG A 14 30.059 32.156 52.838 1.00 50.86 C ATOM 102 CD ARG A 14 28.966 31.380 52.090 1.00 59.37 C ATOM 103 NE ARG A 14 28.000 32.257 51.415 1.00 66.68 N ATOM 104 CZ ARG A 14 27.762 32.243 50.101 1.00 69.69 C ATOM 105 NH1 ARG A 14 28.421 31.397 49.311 1.00 69.57 N ATOM 106 NH2 ARG A 14 26.867 33.078 49.576 1.00 70.43 N ATOM 107 N PRO A 15 31.398 36.403 51.905 1.00 31.28 N ATOM 108 CA PRO A 15 31.246 37.798 51.478 1.00 29.10 C ATOM 109 C PRO A 15 29.740 38.054 51.301 1.00 28.04 C ATOM 110 O PRO A 15 29.039 37.266 50.667 1.00 27.77 O ATOM 111 CB PRO A 15 31.989 37.847 50.148 1.00 29.11 C ATOM 112 CG PRO A 15 32.976 36.742 50.247 1.00 30.25 C ATOM 113 CD PRO A 15 32.313 35.659 51.027 1.00 29.90 C ATOM 114 N GLY A 16 29.245 39.138 51.872 1.00 26.13 N ATOM 115 CA GLY A 16 27.837 39.416 51.773 1.00 28.39 C ATOM 116 C GLY A 16 27.154 39.127 53.102 1.00 31.07 C ATOM 117 O GLY A 16 25.925 39.045 53.156 1.00 33.28 O ATOM 118 N THR A 17 27.941 38.943 54.169 1.00 31.76 N ATOM 119 CA THR A 17 27.389 38.709 55.504 1.00 29.05 C ATOM 120 C THR A 17 27.397 40.053 56.196 1.00 28.31 C ATOM 121 O THR A 17 28.374 40.806 56.120 1.00 25.12 O ATOM 122 CB THR A 17 28.231 37.761 56.369 1.00 29.83 C ATOM 123 OG1 THR A 17 28.075 36.425 55.908 1.00 32.48 O ATOM 124 CG2 THR A 17 27.751 37.790 57.803 1.00 29.91 C ATOM 125 N VAL A 18 26.301 40.349 56.876 1.00 26.82 N ATOM 126 CA VAL A 18 26.178 41.606 57.574 1.00 25.65 C ATOM 127 C VAL A 18 25.907 41.358 59.045 1.00 24.38 C ATOM 128 O VAL A 18 25.009 40.599 59.389 1.00 23.88 O ATOM 129 CB VAL A 18 25.016 42.456 56.980 1.00 24.58 C ATOM 130 CG1 VAL A 18 24.794 43.699 57.804 1.00 23.75 C ATOM 131 CG2 VAL A 18 25.328 42.825 55.533 1.00 26.93 C ATOM 132 N LEU A 19 26.697 41.983 59.913 1.00 24.06 N ATOM 133 CA LEU A 19 26.491 41.867 61.352 1.00 24.04 C ATOM 134 C LEU A 19 25.958 43.216 61.793 1.00 24.05 C ATOM 135 O LEU A 19 26.626 44.221 61.603 1.00 24.51 O ATOM 136 CB LEU A 19 27.804 41.641 62.079 1.00 26.93 C ATOM 137 CG LEU A 19 28.285 40.236 62.404 1.00 32.38 C ATOM 138 CD1 LEU A 19 28.463 39.420 61.140 1.00 31.65 C ATOM 139 CD2 LEU A 19 29.609 40.359 63.162 1.00 35.80 C ATOM 140 N ARG A 20 24.752 43.266 62.345 1.00 24.16 N ATOM 141 CA ARG A 20 24.220 44.536 62.821 1.00 23.91 C ATOM 142 C ARG A 20 24.156 44.491 64.338 1.00 22.09 C ATOM 143 O ARG A 20 23.532 43.611 64.923 1.00 21.34 O ATOM 144 CB ARG A 20 22.831 44.820 62.262 1.00 25.49 C ATOM 145 CG ARG A 20 22.329 46.203 62.649 1.00 30.82 C ATOM 146 CD ARG A 20 21.003 46.543 61.997 1.00 35.66 C ATOM 147 NE ARG A 20 19.933 45.684 62.482 1.00 41.70 N ATOM 148 CZ ARG A 20 18.873 45.342 61.751 1.00 47.52 C ATOM 149 NH1 ARG A 20 18.751 45.793 60.498 1.00 47.99 N ATOM 150 NH2 ARG A 20 17.936 44.549 62.266 1.00 46.86 N ATOM 151 N ILE A 21 24.809 45.454 64.971 1.00 21.14 N ATOM 152 CA ILE A 21 24.860 45.506 66.420 1.00 19.96 C ATOM 153 C ILE A 21 24.335 46.851 66.888 1.00 19.81 C ATOM 154 O ILE A 21 24.790 47.904 66.426 1.00 20.80 O ATOM 155 CB ILE A 21 26.325 45.333 66.930 1.00 20.79 C ATOM 156 CG1 ILE A 21 26.855 43.938 66.569 1.00 23.64 C ATOM 157 CG2 ILE A 21 26.385 45.515 68.437 1.00 19.60 C ATOM 158 CD1 ILE A 21 28.172 43.940 65.829 1.00 24.74 C ATOM 159 N ARG A 22 23.359 46.806 67.791 1.00 18.92 N ATOM 160 CA ARG A 22 22.766 48.008 68.363 1.00 16.70 C ATOM 161 C ARG A 22 22.900 47.904 69.868 1.00 15.02 C ATOM 162 O ARG A 22 22.779 46.829 70.455 1.00 14.79 O ATOM 163 CB ARG A 22 21.279 48.104 67.989 1.00 20.07 C ATOM 164 CG ARG A 22 21.036 48.306 66.516 1.00 23.82 C ATOM 165 CD ARG A 22 19.544 48.270 66.184 1.00 29.00 C ATOM 166 NE ARG A 22 19.304 48.614 64.786 1.00 29.15 N ATOM 167 CZ ARG A 22 18.206 48.293 64.106 1.00 30.60 C ATOM 168 NH1 ARG A 22 17.228 47.616 64.687 1.00 30.52 N ATOM 169 NH2 ARG A 22 18.081 48.656 62.839 1.00 29.18 N ATOM 170 N GLY A 23 23.143 49.022 70.519 1.00 15.11 N ATOM 171 CA GLY A 23 23.261 48.949 71.948 1.00 15.77 C ATOM 172 C GLY A 23 23.456 50.334 72.472 1.00 16.41 C ATOM 173 O GLY A 23 23.389 51.306 71.724 1.00 17.88 O ATOM 174 N LEU A 24 23.680 50.425 73.769 1.00 16.40 N ATOM 175 CA LEU A 24 23.907 51.704 74.398 1.00 18.67 C ATOM 176 C LEU A 24 25.289 51.681 75.045 1.00 17.57 C ATOM 177 O LEU A 24 25.711 50.664 75.575 1.00 19.09 O ATOM 178 CB LEU A 24 22.847 51.964 75.481 1.00 16.08 C ATOM 179 CG LEU A 24 23.065 53.184 76.387 1.00 18.27 C ATOM 180 CD1 LEU A 24 22.710 54.431 75.635 1.00 17.66 C ATOM 181 CD2 LEU A 24 22.239 53.077 77.637 1.00 19.17 C ATOM 182 N VAL A 25 25.996 52.798 74.990 1.00 20.03 N ATOM 183 CA VAL A 25 27.299 52.889 75.648 1.00 20.00 C ATOM 184 C VAL A 25 26.913 53.516 76.973 1.00 19.06 C ATOM 185 O VAL A 25 26.523 54.679 77.009 1.00 21.71 O ATOM 186 CB VAL A 25 28.261 53.826 74.888 1.00 18.22 C ATOM 187 CG1 VAL A 25 29.457 54.120 75.739 1.00 19.78 C ATOM 188 CG2 VAL A 25 28.705 53.165 73.598 1.00 18.68 C ATOM 189 N PRO A 26 26.997 52.753 78.077 1.00 20.26 N ATOM 190 CA PRO A 26 26.633 53.278 79.392 1.00 21.92 C ATOM 191 C PRO A 26 27.383 54.513 79.837 1.00 26.67 C ATOM 192 O PRO A 26 28.445 54.837 79.317 1.00 26.43 O ATOM 193 CB PRO A 26 26.856 52.099 80.322 1.00 21.04 C ATOM 194 CG PRO A 26 27.759 51.204 79.612 1.00 17.60 C ATOM 195 CD PRO A 26 27.449 51.357 78.169 1.00 21.35 C ATOM 196 N PRO A 27 26.825 55.234 80.820 1.00 30.59 N ATOM 197 CA PRO A 27 27.411 56.464 81.373 1.00 32.97 C ATOM 198 C PRO A 27 28.895 56.417 81.755 1.00 33.94 C ATOM 199 O PRO A 27 29.609 57.410 81.584 1.00 35.18 O ATOM 200 CB PRO A 27 26.533 56.799 82.587 1.00 30.48 C ATOM 201 CG PRO A 27 25.424 55.849 82.578 1.00 30.09 C ATOM 202 CD PRO A 27 25.537 54.892 81.445 1.00 29.49 C ATOM 203 N ASN A 28 29.385 55.310 82.291 1.00 33.15 N ATOM 204 CA ASN A 28 30.793 55.355 82.620 1.00 36.54 C ATOM 205 C ASN A 28 31.647 54.292 81.940 1.00 33.79 C ATOM 206 O ASN A 28 32.603 53.771 82.502 1.00 37.55 O ATOM 207 CB ASN A 28 30.972 55.355 84.140 1.00 42.19 C ATOM 208 CG ASN A 28 31.043 56.781 84.715 1.00 49.47 C ATOM 209 OD1 ASN A 28 31.929 57.582 84.363 1.00 53.08 O ATOM 210 ND2 ASN A 28 30.103 57.102 85.595 1.00 52.05 N ATOM 211 N ALA A 29 31.307 54.013 80.694 1.00 28.47 N ATOM 212 CA ALA A 29 32.000 53.033 79.899 1.00 25.31 C ATOM 213 C ALA A 29 33.474 53.391 79.629 1.00 25.50 C ATOM 214 O ALA A 29 33.833 54.553 79.390 1.00 24.15 O ATOM 215 CB ALA A 29 31.265 52.868 78.587 1.00 20.41 C ATOM 216 N SER A 30 34.333 52.382 79.673 1.00 25.71 N ATOM 217 CA SER A 30 35.731 52.614 79.360 1.00 24.94 C ATOM 218 C SER A 30 35.890 52.121 77.953 1.00 21.99 C ATOM 219 O SER A 30 36.324 52.860 77.076 1.00 23.70 O ATOM 220 CB SER A 30 36.644 51.819 80.272 1.00 27.36 C ATOM 221 OG SER A 30 36.957 52.602 81.406 1.00 37.85 O ATOM 222 N ARG A 31 35.525 50.863 77.723 1.00 20.05 N ATOM 223 CA ARG A 31 35.665 50.313 76.385 1.00 20.99 C ATOM 224 C ARG A 31 34.902 49.018 76.210 1.00 19.09 C ATOM 225 O ARG A 31 34.559 48.365 77.197 1.00 20.00 O ATOM 226 CB ARG A 31 37.155 50.062 76.068 1.00 21.50 C ATOM 227 CG ARG A 31 37.897 49.319 77.172 1.00 20.79 C ATOM 228 CD ARG A 31 39.388 49.181 76.862 1.00 20.08 C ATOM 229 NE ARG A 31 40.122 50.440 76.999 1.00 20.24 N ATOM 230 CZ ARG A 31 41.411 50.586 76.686 1.00 18.78 C ATOM 231 NH1 ARG A 31 42.097 49.557 76.219 1.00 15.36 N ATOM 232 NH2 ARG A 31 42.010 51.752 76.848 1.00 15.34 N ATOM 233 N PHE A 32 34.624 48.669 74.950 1.00 18.32 N ATOM 234 CA PHE A 32 33.965 47.406 74.641 1.00 19.58 C ATOM 235 C PHE A 32 34.530 46.826 73.354 1.00 18.85 C ATOM 236 O PHE A 32 35.315 47.473 72.664 1.00 21.18 O ATOM 237 CB PHE A 32 32.417 47.550 74.583 1.00 19.08 C ATOM 238 CG PHE A 32 31.909 48.337 73.417 1.00 19.06 C ATOM 239 CD1 PHE A 32 31.843 49.713 73.479 1.00 18.47 C ATOM 240 CD2 PHE A 32 31.465 47.688 72.265 1.00 20.40 C ATOM 241 CE1 PHE A 32 31.340 50.439 72.414 1.00 18.83 C ATOM 242 CE2 PHE A 32 30.959 48.405 71.188 1.00 19.47 C ATOM 243 CZ PHE A 32 30.897 49.782 71.265 1.00 20.33 C ATOM 244 N HIS A 33 34.139 45.602 73.028 1.00 18.05 N ATOM 245 CA HIS A 33 34.661 44.990 71.831 1.00 18.76 C ATOM 246 C HIS A 33 33.708 44.041 71.148 1.00 18.90 C ATOM 247 O HIS A 33 32.791 43.503 71.766 1.00 19.44 O ATOM 248 CB HIS A 33 35.912 44.206 72.186 1.00 20.47 C ATOM 249 CG HIS A 33 35.668 43.165 73.229 1.00 23.71 C ATOM 250 ND1 HIS A 33 35.884 43.393 74.571 1.00 25.12 N ATOM 251 CD2 HIS A 33 35.171 41.909 73.135 1.00 25.94 C ATOM 252 CE1 HIS A 33 35.531 42.321 75.259 1.00 26.39 C ATOM 253 NE2 HIS A 33 35.094 41.405 74.412 1.00 26.18 N ATOM 254 N VAL A 34 33.969 43.838 69.862 1.00 20.80 N ATOM 255 CA VAL A 34 33.250 42.894 69.017 1.00 19.81 C ATOM 256 C VAL A 34 34.344 42.038 68.370 1.00 20.28 C ATOM 257 O VAL A 34 35.181 42.549 67.622 1.00 20.82 O ATOM 258 CB VAL A 34 32.481 43.578 67.890 1.00 20.35 C ATOM 259 CG1 VAL A 34 31.807 42.507 67.030 1.00 19.31 C ATOM 260 CG2 VAL A 34 31.447 44.544 68.464 1.00 22.62 C ATOM 261 N ASN A 35 34.338 40.748 68.676 1.00 18.37 N ATOM 262 CA ASN A 35 35.307 39.815 68.132 1.00 18.45 C ATOM 263 C ASN A 35 34.693 38.761 67.206 1.00 20.56 C ATOM 264 O ASN A 35 33.618 38.208 67.502 1.00 20.78 O ATOM 265 CB ASN A 35 35.991 39.036 69.258 1.00 21.02 C ATOM 266 CG ASN A 35 36.863 39.892 70.112 1.00 23.48 C ATOM 267 OD1 ASN A 35 37.441 40.872 69.648 1.00 27.32 O ATOM 268 ND2 ASN A 35 36.973 39.530 71.382 1.00 23.75 N ATOM 269 N LEU A 36 35.374 38.474 66.095 1.00 19.42 N ATOM 270 CA LEU A 36 34.959 37.395 65.206 1.00 20.23 C ATOM 271 C LEU A 36 36.057 36.356 65.457 1.00 20.93 C ATOM 272 O LEU A 36 37.167 36.489 64.957 1.00 21.51 O ATOM 273 CB LEU A 36 34.961 37.823 63.746 1.00 18.79 C ATOM 274 CG LEU A 36 34.030 38.974 63.382 1.00 21.89 C ATOM 275 CD1 LEU A 36 33.906 39.059 61.888 1.00 21.25 C ATOM 276 CD2 LEU A 36 32.691 38.756 64.000 1.00 24.88 C ATOM 277 N LEU A 37 35.738 35.352 66.264 1.00 22.40 N ATOM 278 CA LEU A 37 36.670 34.292 66.647 1.00 24.42 C ATOM 279 C LEU A 37 36.623 33.046 65.752 1.00 26.81 C ATOM 280 O LEU A 37 35.661 32.825 65.002 1.00 27.65 O ATOM 281 CB LEU A 37 36.417 33.915 68.115 1.00 24.44 C ATOM 282 CG LEU A 37 36.383 35.121 69.057 1.00 25.24 C ATOM 283 CD1 LEU A 37 35.828 34.732 70.395 1.00 23.25 C ATOM 284 CD2 LEU A 37 37.807 35.685 69.189 1.00 25.85 C ATOM 285 N CYS A 38 37.673 32.231 65.837 1.00 26.98 N ATOM 286 CA CYS A 38 37.793 31.027 65.012 1.00 27.80 C ATOM 287 C CYS A 38 37.476 29.746 65.750 1.00 26.62 C ATOM 288 O CYS A 38 37.512 28.671 65.168 1.00 28.07 O ATOM 289 CB CYS A 38 39.201 30.929 64.425 1.00 27.04 C ATOM 290 SG CYS A 38 39.553 32.205 63.219 1.00 34.35 S ATOM 291 N GLY A 39 37.166 29.861 67.028 1.00 25.94 N ATOM 292 CA GLY A 39 36.848 28.689 67.809 1.00 27.15 C ATOM 293 C GLY A 39 36.262 29.108 69.133 1.00 28.76 C ATOM 294 O GLY A 39 36.162 30.299 69.416 1.00 28.83 O ATOM 295 N GLU A 40 35.878 28.137 69.951 1.00 31.36 N ATOM 296 CA GLU A 40 35.312 28.436 71.262 1.00 35.20 C ATOM 297 C GLU A 40 36.340 28.379 72.384 1.00 36.26 C ATOM 298 O GLU A 40 36.021 28.686 73.529 1.00 38.40 O ATOM 299 CB GLU A 40 34.195 27.464 71.592 1.00 35.70 C ATOM 300 CG GLU A 40 32.976 27.667 70.750 1.00 38.40 C ATOM 301 CD GLU A 40 32.022 26.524 70.880 1.00 39.60 C ATOM 302 OE1 GLU A 40 31.661 26.172 72.028 1.00 42.60 O ATOM 303 OE2 GLU A 40 31.639 25.981 69.830 1.00 40.74 O ATOM 304 N GLU A 41 37.559 27.954 72.070 1.00 37.18 N ATOM 305 CA GLU A 41 38.602 27.889 73.085 1.00 39.01 C ATOM 306 C GLU A 41 38.978 29.317 73.481 1.00 40.23 C ATOM 307 O GLU A 41 38.847 30.245 72.683 1.00 40.67 O ATOM 308 CB GLU A 41 39.831 27.162 72.536 1.00 37.97 C ATOM 309 CG GLU A 41 40.594 27.944 71.485 1.00 38.55 C ATOM 310 CD GLU A 41 40.012 27.785 70.083 1.00 40.08 C ATOM 311 OE1 GLU A 41 38.909 27.192 69.942 1.00 35.95 O ATOM 312 OE2 GLU A 41 40.663 28.259 69.118 1.00 41.23 O ATOM 313 N GLN A 42 39.425 29.504 74.714 1.00 42.76 N ATOM 314 CA GLN A 42 39.833 30.835 75.158 1.00 44.40 C ATOM 315 C GLN A 42 41.149 31.188 74.465 1.00 41.40 C ATOM 316 O GLN A 42 42.001 30.324 74.252 1.00 41.23 O ATOM 317 CB GLN A 42 40.038 30.855 76.670 1.00 49.43 C ATOM 318 CG GLN A 42 38.762 30.863 77.485 1.00 60.10 C ATOM 319 CD GLN A 42 38.995 30.425 78.932 1.00 67.95 C ATOM 320 OE1 GLN A 42 40.146 30.256 79.374 1.00 72.11 O ATOM 321 NE2 GLN A 42 37.904 30.238 79.679 1.00 71.68 N ATOM 322 N GLY A 43 41.301 32.455 74.096 1.00 39.59 N ATOM 323 CA GLY A 43 42.522 32.894 73.442 1.00 36.88 C ATOM 324 C GLY A 43 42.574 32.446 72.007 1.00 34.71 C ATOM 325 O GLY A 43 43.631 32.414 71.385 1.00 36.03 O ATOM 326 N SER A 44 41.409 32.090 71.489 1.00 33.64 N ATOM 327 CA SER A 44 41.271 31.632 70.122 1.00 31.60 C ATOM 328 C SER A 44 41.639 32.748 69.138 1.00 27.64 C ATOM 329 O SER A 44 41.654 33.925 69.494 1.00 26.05 O ATOM 330 CB SER A 44 39.833 31.156 69.917 1.00 33.52 C ATOM 331 OG SER A 44 39.396 31.354 68.599 1.00 39.23 O ATOM 332 N ASP A 45 41.979 32.370 67.914 1.00 25.42 N ATOM 333 CA ASP A 45 42.324 33.344 66.881 1.00 26.88 C ATOM 334 C ASP A 45 41.119 34.256 66.590 1.00 26.56 C ATOM 335 O ASP A 45 39.962 33.832 66.689 1.00 25.48 O ATOM 336 CB ASP A 45 42.707 32.633 65.586 1.00 30.92 C ATOM 337 CG ASP A 45 44.097 32.025 65.631 1.00 36.68 C ATOM 338 OD1 ASP A 45 44.807 32.213 66.641 1.00 39.13 O ATOM 339 OD2 ASP A 45 44.476 31.361 64.642 1.00 39.31 O ATOM 340 N ALA A 46 41.400 35.502 66.223 1.00 24.58 N ATOM 341 CA ALA A 46 40.370 36.476 65.896 1.00 22.65 C ATOM 342 C ALA A 46 40.593 37.018 64.486 1.00 22.58 C ATOM 343 O ALA A 46 41.638 37.615 64.202 1.00 21.24 O ATOM 344 CB ALA A 46 40.409 37.612 66.895 1.00 22.96 C ATOM 345 N ALA A 47 39.625 36.795 63.600 1.00 19.88 N ATOM 346 CA ALA A 47 39.709 37.314 62.253 1.00 19.58 C ATOM 347 C ALA A 47 39.567 38.822 62.409 1.00 20.97 C ATOM 348 O ALA A 47 40.167 39.592 61.653 1.00 22.83 O ATOM 349 CB ALA A 47 38.581 36.780 61.416 1.00 20.32 C ATOM 350 N LEU A 48 38.759 39.248 63.384 1.00 19.51 N ATOM 351 CA LEU A 48 38.578 40.674 63.644 1.00 19.06 C ATOM 352 C LEU A 48 38.286 40.966 65.098 1.00 19.38 C ATOM 353 O LEU A 48 37.548 40.229 65.748 1.00 18.96 O ATOM 354 CB LEU A 48 37.461 41.248 62.775 1.00 18.26 C ATOM 355 CG LEU A 48 36.972 42.653 63.137 1.00 19.41 C ATOM 356 CD1 LEU A 48 37.970 43.703 62.694 1.00 18.43 C ATOM 357 CD2 LEU A 48 35.618 42.894 62.445 1.00 20.48 C ATOM 358 N HIS A 49 38.914 42.025 65.609 1.00 18.39 N ATOM 359 CA HIS A 49 38.728 42.502 66.976 1.00 19.32 C ATOM 360 C HIS A 49 38.506 43.996 66.753 1.00 21.45 C ATOM 361 O HIS A 49 39.409 44.701 66.296 1.00 21.42 O ATOM 362 CB HIS A 49 39.994 42.234 67.807 1.00 20.62 C ATOM 363 CG HIS A 49 40.074 42.984 69.109 1.00 19.22 C ATOM 364 ND1 HIS A 49 39.370 42.607 70.236 1.00 19.20 N ATOM 365 CD2 HIS A 49 40.853 44.030 69.488 1.00 19.69 C ATOM 366 CE1 HIS A 49 39.712 43.386 71.250 1.00 18.58 C ATOM 367 NE2 HIS A 49 40.610 44.257 70.825 1.00 18.86 N ATOM 368 N PHE A 50 37.281 44.456 67.015 1.00 20.97 N ATOM 369 CA PHE A 50 36.880 45.859 66.835 1.00 20.41 C ATOM 370 C PHE A 50 36.780 46.348 68.270 1.00 21.60 C ATOM 371 O PHE A 50 36.013 45.798 69.069 1.00 22.80 O ATOM 372 CB PHE A 50 35.538 45.874 66.098 1.00 20.01 C ATOM 373 CG PHE A 50 34.879 47.217 66.015 1.00 21.88 C ATOM 374 CD1 PHE A 50 35.353 48.197 65.151 1.00 23.78 C ATOM 375 CD2 PHE A 50 33.712 47.477 66.741 1.00 24.30 C ATOM 376 CE1 PHE A 50 34.673 49.426 64.998 1.00 23.77 C ATOM 377 CE2 PHE A 50 33.030 48.703 66.593 1.00 24.18 C ATOM 378 CZ PHE A 50 33.513 49.675 65.717 1.00 22.84 C ATOM 379 N ASN A 51 37.552 47.377 68.613 1.00 20.27 N ATOM 380 CA ASN A 51 37.600 47.810 69.998 1.00 19.18 C ATOM 381 C ASN A 51 37.512 49.308 70.273 1.00 21.47 C ATOM 382 O ASN A 51 38.542 50.009 70.305 1.00 19.40 O ATOM 383 CB ASN A 51 38.886 47.206 70.612 1.00 21.33 C ATOM 384 CG ASN A 51 39.128 47.589 72.081 1.00 22.17 C ATOM 385 OD1 ASN A 51 40.263 47.883 72.459 1.00 22.60 O ATOM 386 ND2 ASN A 51 38.087 47.564 72.909 1.00 22.33 N ATOM 387 N PRO A 52 36.265 49.845 70.386 1.00 20.78 N ATOM 388 CA PRO A 52 36.105 51.276 70.683 1.00 19.15 C ATOM 389 C PRO A 52 36.588 51.523 72.129 1.00 19.57 C ATOM 390 O PRO A 52 36.145 50.851 73.066 1.00 20.53 O ATOM 391 CB PRO A 52 34.586 51.515 70.518 1.00 17.69 C ATOM 392 CG PRO A 52 34.125 50.380 69.658 1.00 17.46 C ATOM 393 CD PRO A 52 34.961 49.208 70.105 1.00 17.81 C ATOM 394 N ARG A 53 37.519 52.457 72.307 1.00 19.80 N ATOM 395 CA ARG A 53 38.036 52.778 73.636 1.00 20.09 C ATOM 396 C ARG A 53 37.632 54.212 73.981 1.00 19.21 C ATOM 397 O ARG A 53 38.218 55.196 73.487 1.00 19.03 O ATOM 398 CB ARG A 53 39.569 52.645 73.680 1.00 18.68 C ATOM 399 CG ARG A 53 40.108 51.328 73.149 1.00 20.52 C ATOM 400 CD ARG A 53 41.641 51.302 73.126 1.00 20.22 C ATOM 401 NE ARG A 53 42.138 49.977 72.752 1.00 19.99 N ATOM 402 CZ ARG A 53 43.406 49.710 72.453 1.00 23.32 C ATOM 403 NH1 ARG A 53 44.306 50.677 72.488 1.00 19.05 N ATOM 404 NH2 ARG A 53 43.771 48.487 72.094 1.00 20.40 N ATOM 405 N LEU A 54 36.630 54.330 74.838 1.00 19.89 N ATOM 406 CA LEU A 54 36.135 55.643 75.221 1.00 22.08 C ATOM 407 C LEU A 54 37.071 56.276 76.241 1.00 21.93 C ATOM 408 O LEU A 54 37.169 57.500 76.328 1.00 21.43 O ATOM 409 CB LEU A 54 34.732 55.527 75.842 1.00 25.96 C ATOM 410 CG LEU A 54 33.503 55.127 75.001 1.00 27.67 C ATOM 411 CD1 LEU A 54 33.433 55.942 73.729 1.00 26.70 C ATOM 412 CD2 LEU A 54 33.562 53.641 74.691 1.00 28.21 C ATOM 413 N ASP A 55 37.748 55.459 77.037 1.00 19.71 N ATOM 414 CA ASP A 55 38.621 56.050 78.021 1.00 19.98 C ATOM 415 C ASP A 55 39.819 56.753 77.414 1.00 20.95 C ATOM 416 O ASP A 55 40.325 57.693 78.005 1.00 23.06 O ATOM 417 CB ASP A 55 39.061 55.024 79.066 1.00 21.18 C ATOM 418 CG ASP A 55 39.606 53.741 78.471 1.00 22.11 C ATOM 419 OD1 ASP A 55 39.653 53.577 77.235 1.00 23.28 O ATOM 420 OD2 ASP A 55 39.994 52.865 79.273 1.00 25.29 O ATOM 421 N THR A 56 40.254 56.322 76.229 1.00 22.24 N ATOM 422 CA THR A 56 41.400 56.934 75.546 1.00 21.12 C ATOM 423 C THR A 56 41.014 57.594 74.231 1.00 23.14 C ATOM 424 O THR A 56 41.875 58.139 73.540 1.00 26.21 O ATOM 425 CB THR A 56 42.503 55.899 75.229 1.00 19.97 C ATOM 426 OG1 THR A 56 41.980 54.906 74.346 1.00 20.66 O ATOM 427 CG2 THR A 56 43.014 55.242 76.493 1.00 18.34 C ATOM 428 N SER A 57 39.732 57.532 73.863 1.00 23.63 N ATOM 429 CA SER A 57 39.233 58.132 72.618 1.00 22.11 C ATOM 430 C SER A 57 39.865 57.617 71.363 1.00 22.47 C ATOM 431 O SER A 57 40.365 58.389 70.564 1.00 24.16 O ATOM 432 CB SER A 57 39.401 59.643 72.628 1.00 23.73 C ATOM 433 OG SER A 57 38.741 60.175 73.749 1.00 26.28 O ATOM 434 N GLU A 58 39.831 56.309 71.184 1.00 23.80 N ATOM 435 CA GLU A 58 40.374 55.683 69.986 1.00 24.86 C ATOM 436 C GLU A 58 39.530 54.468 69.646 1.00 20.32 C ATOM 437 O GLU A 58 38.934 53.849 70.529 1.00 20.65 O ATOM 438 CB GLU A 58 41.793 55.171 70.219 1.00 28.16 C ATOM 439 CG GLU A 58 42.823 56.214 70.528 1.00 32.61 C ATOM 440 CD GLU A 58 44.198 55.663 70.291 1.00 34.54 C ATOM 441 OE1 GLU A 58 44.506 54.604 70.885 1.00 32.47 O ATOM 442 OE2 GLU A 58 44.948 56.273 69.493 1.00 37.35 O ATOM 443 N VAL A 59 39.492 54.121 68.370 1.00 19.36 N ATOM 444 CA VAL A 59 38.780 52.921 67.955 1.00 18.56 C ATOM 445 C VAL A 59 39.849 52.081 67.268 1.00 19.78 C ATOM 446 O VAL A 59 40.411 52.475 66.243 1.00 21.20 O ATOM 447 CB VAL A 59 37.643 53.208 66.976 1.00 16.88 C ATOM 448 CG1 VAL A 59 37.065 51.896 66.480 1.00 16.47 C ATOM 449 CG2 VAL A 59 36.582 54.028 67.662 1.00 16.53 C ATOM 450 N VAL A 60 40.108 50.913 67.842 1.00 20.48 N ATOM 451 CA VAL A 60 41.146 50.015 67.351 1.00 22.85 C ATOM 452 C VAL A 60 40.635 48.746 66.693 1.00 20.76 C ATOM 453 O VAL A 60 39.684 48.156 67.175 1.00 19.53 O ATOM 454 CB VAL A 60 42.083 49.618 68.545 1.00 22.65 C ATOM 455 CG1 VAL A 60 43.049 48.513 68.130 1.00 21.28 C ATOM 456 CG2 VAL A 60 42.825 50.874 69.057 1.00 22.44 C ATOM 457 N PHE A 61 41.289 48.342 65.603 1.00 19.45 N ATOM 458 CA PHE A 61 40.975 47.106 64.889 1.00 20.33 C ATOM 459 C PHE A 61 42.240 46.237 64.916 1.00 21.06 C ATOM 460 O PHE A 61 43.343 46.748 64.732 1.00 21.47 O ATOM 461 CB PHE A 61 40.646 47.371 63.423 1.00 20.66 C ATOM 462 CG PHE A 61 39.465 48.257 63.208 1.00 22.61 C ATOM 463 CD1 PHE A 61 39.535 49.619 63.494 1.00 22.74 C ATOM 464 CD2 PHE A 61 38.311 47.748 62.622 1.00 26.34 C ATOM 465 CE1 PHE A 61 38.479 50.478 63.190 1.00 24.39 C ATOM 466 CE2 PHE A 61 37.240 48.595 62.307 1.00 26.38 C ATOM 467 CZ PHE A 61 37.330 49.968 62.593 1.00 25.91 C ATOM 468 N ASN A 62 42.103 44.940 65.134 1.00 19.56 N ATOM 469 CA ASN A 62 43.278 44.075 65.135 1.00 19.61 C ATOM 470 C ASN A 62 42.848 42.643 64.866 1.00 21.35 C ATOM 471 O ASN A 62 41.652 42.351 64.749 1.00 19.93 O ATOM 472 CB ASN A 62 44.003 44.166 66.488 1.00 18.89 C ATOM 473 CG ASN A 62 45.517 43.881 66.379 1.00 20.60 C ATOM 474 OD1 ASN A 62 46.006 43.443 65.333 1.00 18.82 O ATOM 475 ND2 ASN A 62 46.246 44.127 67.460 1.00 16.09 N ATOM 476 N SER A 63 43.821 41.748 64.752 1.00 21.49 N ATOM 477 CA SER A 63 43.534 40.342 64.544 1.00 22.67 C ATOM 478 C SER A 63 44.428 39.634 65.519 1.00 23.44 C ATOM 479 O SER A 63 45.302 40.254 66.100 1.00 24.88 O ATOM 480 CB SER A 63 43.889 39.902 63.130 1.00 24.77 C ATOM 481 OG SER A 63 45.144 40.432 62.761 1.00 30.14 O ATOM 482 N LYS A 64 44.183 38.352 65.735 1.00 23.55 N ATOM 483 CA LYS A 64 45.008 37.547 66.618 1.00 27.47 C ATOM 484 C LYS A 64 45.187 36.236 65.885 1.00 31.60 C ATOM 485 O LYS A 64 44.214 35.557 65.531 1.00 29.15 O ATOM 486 CB LYS A 64 44.341 37.305 67.956 1.00 25.83 C ATOM 487 CG LYS A 64 45.213 36.529 68.907 1.00 26.87 C ATOM 488 CD LYS A 64 44.434 36.186 70.142 1.00 28.01 C ATOM 489 CE LYS A 64 45.335 36.214 71.346 1.00 34.62 C ATOM 490 NZ LYS A 64 45.028 35.116 72.320 1.00 38.48 N ATOM 491 N GLU A 65 46.444 35.892 65.645 1.00 35.83 N ATOM 492 CA GLU A 65 46.769 34.693 64.900 1.00 40.49 C ATOM 493 C GLU A 65 47.836 33.876 65.605 1.00 41.89 C ATOM 494 O GLU A 65 48.911 34.377 65.907 1.00 42.99 O ATOM 495 CB GLU A 65 47.226 35.112 63.501 1.00 43.26 C ATOM 496 CG GLU A 65 48.304 34.264 62.892 1.00 49.13 C ATOM 497 CD GLU A 65 47.793 33.473 61.715 1.00 49.73 C ATOM 498 OE1 GLU A 65 47.643 34.060 60.615 1.00 49.11 O ATOM 499 OE2 GLU A 65 47.541 32.263 61.903 1.00 51.21 O ATOM 500 N GLN A 66 47.522 32.614 65.871 1.00 43.87 N ATOM 501 CA GLN A 66 48.444 31.700 66.542 1.00 43.46 C ATOM 502 C GLN A 66 48.861 32.214 67.910 1.00 41.15 C ATOM 503 O GLN A 66 49.993 32.009 68.348 1.00 41.00 O ATOM 504 CB GLN A 66 49.678 31.441 65.670 1.00 46.43 C ATOM 505 CG GLN A 66 49.345 30.993 64.257 1.00 51.44 C ATOM 506 CD GLN A 66 49.941 29.640 63.925 1.00 56.41 C ATOM 507 OE1 GLN A 66 50.849 29.542 63.096 1.00 59.89 O ATOM 508 NE2 GLN A 66 49.437 28.583 64.572 1.00 57.31 N ATOM 509 N GLY A 67 47.937 32.898 68.574 1.00 38.29 N ATOM 510 CA GLY A 67 48.211 33.381 69.910 1.00 34.18 C ATOM 511 C GLY A 67 48.780 34.776 70.006 1.00 32.55 C ATOM 512 O GLY A 67 48.815 35.347 71.092 1.00 33.87 O ATOM 513 N SER A 68 49.232 35.348 68.904 1.00 30.47 N ATOM 514 CA SER A 68 49.770 36.689 69.022 1.00 31.05 C ATOM 515 C SER A 68 48.999 37.728 68.213 1.00 28.65 C ATOM 516 O SER A 68 48.506 37.461 67.115 1.00 26.99 O ATOM 517 CB SER A 68 51.253 36.698 68.657 1.00 30.61 C ATOM 518 OG SER A 68 51.420 36.394 67.295 1.00 35.85 O ATOM 519 N TRP A 69 48.897 38.922 68.784 1.00 27.54 N ATOM 520 CA TRP A 69 48.180 40.006 68.152 1.00 28.12 C ATOM 521 C TRP A 69 48.972 40.577 67.011 1.00 28.84 C ATOM 522 O TRP A 69 50.206 40.552 67.025 1.00 29.19 O ATOM 523 CB TRP A 69 47.908 41.116 69.161 1.00 26.96 C ATOM 524 CG TRP A 69 46.935 40.722 70.200 1.00 28.19 C ATOM 525 CD1 TRP A 69 47.215 40.248 71.443 1.00 26.96 C ATOM 526 CD2 TRP A 69 45.514 40.763 70.093 1.00 27.41 C ATOM 527 NE1 TRP A 69 46.057 39.992 72.121 1.00 28.89 N ATOM 528 CE2 TRP A 69 44.995 40.300 71.317 1.00 29.22 C ATOM 529 CE3 TRP A 69 44.631 41.146 69.086 1.00 28.81 C ATOM 530 CZ2 TRP A 69 43.627 40.212 71.560 1.00 29.10 C ATOM 531 CZ3 TRP A 69 43.273 41.056 69.328 1.00 27.95 C ATOM 532 CH2 TRP A 69 42.785 40.593 70.559 1.00 27.68 C ATOM 533 N GLY A 70 48.254 41.108 66.031 1.00 25.84 N ATOM 534 CA GLY A 70 48.899 41.715 64.890 1.00 23.25 C ATOM 535 C GLY A 70 49.108 43.188 65.167 1.00 19.77 C ATOM 536 O GLY A 70 49.035 43.640 66.313 1.00 20.74 O ATOM 537 N ARG A 71 49.383 43.931 64.109 1.00 20.23 N ATOM 538 CA ARG A 71 49.588 45.353 64.217 1.00 23.56 C ATOM 539 C ARG A 71 48.202 46.037 64.276 1.00 24.79 C ATOM 540 O ARG A 71 47.323 45.743 63.457 1.00 25.42 O ATOM 541 CB ARG A 71 50.365 45.845 63.003 1.00 23.57 C ATOM 542 CG ARG A 71 50.691 47.307 63.086 1.00 31.27 C ATOM 543 CD ARG A 71 51.598 47.765 61.966 1.00 34.56 C ATOM 544 NE ARG A 71 52.028 49.118 62.274 1.00 36.95 N ATOM 545 CZ ARG A 71 53.097 49.392 63.009 1.00 41.10 C ATOM 546 NH1 ARG A 71 53.838 48.399 63.500 1.00 39.11 N ATOM 547 NH2 ARG A 71 53.416 50.654 63.275 1.00 42.84 N ATOM 548 N GLU A 72 48.016 46.932 65.243 1.00 24.13 N ATOM 549 CA GLU A 72 46.746 47.640 65.412 1.00 23.45 C ATOM 550 C GLU A 72 46.534 48.689 64.342 1.00 25.24 C ATOM 551 O GLU A 72 47.494 49.357 63.918 1.00 24.83 O ATOM 552 CB GLU A 72 46.686 48.367 66.762 1.00 20.17 C ATOM 553 CG GLU A 72 46.493 47.475 67.942 1.00 19.73 C ATOM 554 CD GLU A 72 46.551 48.243 69.243 1.00 20.00 C ATOM 555 OE1 GLU A 72 46.990 49.407 69.242 1.00 20.97 O ATOM 556 OE2 GLU A 72 46.151 47.678 70.277 1.00 22.10 O ATOM 557 N GLU A 73 45.271 48.843 63.932 1.00 24.41 N ATOM 558 CA GLU A 73 44.865 49.863 62.966 1.00 23.65 C ATOM 559 C GLU A 73 43.910 50.742 63.760 1.00 24.47 C ATOM 560 O GLU A 73 43.198 50.250 64.638 1.00 23.91 O ATOM 561 CB GLU A 73 44.106 49.259 61.790 1.00 25.34 C ATOM 562 CG GLU A 73 44.925 48.454 60.834 1.00 27.66 C ATOM 563 CD GLU A 73 44.088 48.002 59.663 1.00 31.30 C ATOM 564 OE1 GLU A 73 43.095 48.702 59.367 1.00 32.67 O ATOM 565 OE2 GLU A 73 44.420 46.961 59.050 1.00 32.29 O ATOM 566 N ARG A 74 43.914 52.039 63.475 1.00 24.61 N ATOM 567 CA ARG A 74 43.039 52.969 64.169 1.00 25.78 C ATOM 568 C ARG A 74 42.114 53.681 63.176 1.00 26.37 C ATOM 569 O ARG A 74 42.533 54.113 62.102 1.00 26.98 O ATOM 570 CB ARG A 74 43.855 54.013 64.953 1.00 25.27 C ATOM 571 CG ARG A 74 44.146 53.653 66.412 1.00 25.71 C ATOM 572 CD ARG A 74 45.567 54.085 66.863 1.00 24.17 C ATOM 573 NE ARG A 74 45.828 53.712 68.254 1.00 22.28 N ATOM 574 CZ ARG A 74 46.429 52.581 68.634 1.00 23.38 C ATOM 575 NH1 ARG A 74 46.860 51.703 67.733 1.00 21.76 N ATOM 576 NH2 ARG A 74 46.615 52.331 69.922 1.00 25.32 N ATOM 577 N GLY A 75 40.846 53.793 63.554 1.00 27.82 N ATOM 578 CA GLY A 75 39.871 54.463 62.718 1.00 26.93 C ATOM 579 C GLY A 75 39.954 55.957 62.946 1.00 27.08 C ATOM 580 O GLY A 75 40.647 56.421 63.863 1.00 25.57 O ATOM 581 N PRO A 76 39.238 56.742 62.128 1.00 28.24 N ATOM 582 CA PRO A 76 39.205 58.203 62.203 1.00 27.18 C ATOM 583 C PRO A 76 38.339 58.775 63.306 1.00 29.42 C ATOM 584 O PRO A 76 37.167 59.051 63.084 1.00 32.55 O ATOM 585 CB PRO A 76 38.682 58.610 60.841 1.00 29.07 C ATOM 586 CG PRO A 76 37.802 57.468 60.437 1.00 28.40 C ATOM 587 CD PRO A 76 38.393 56.223 61.036 1.00 26.56 C ATOM 588 N GLY A 77 38.909 58.987 64.485 1.00 29.07 N ATOM 589 CA GLY A 77 38.120 59.546 65.570 1.00 29.31 C ATOM 590 C GLY A 77 37.200 58.518 66.211 1.00 30.12 C ATOM 591 O GLY A 77 37.155 57.369 65.757 1.00 29.63 O ATOM 592 N VAL A 78 36.491 58.932 67.266 1.00 28.24 N ATOM 593 CA VAL A 78 35.556 58.085 68.029 1.00 27.77 C ATOM 594 C VAL A 78 34.093 58.450 67.737 1.00 25.67 C ATOM 595 O VAL A 78 33.581 59.434 68.262 1.00 24.56 O ATOM 596 CB VAL A 78 35.731 58.264 69.553 1.00 28.47 C ATOM 597 CG1 VAL A 78 35.198 57.041 70.281 1.00 26.49 C ATOM 598 CG2 VAL A 78 37.185 58.532 69.890 1.00 33.39 C ATOM 599 N PRO A 79 33.400 57.651 66.920 1.00 25.41 N ATOM 600 CA PRO A 79 32.010 57.988 66.640 1.00 25.94 C ATOM 601 C PRO A 79 31.069 57.342 67.669 1.00 26.33 C ATOM 602 O PRO A 79 29.988 56.914 67.312 1.00 31.02 O ATOM 603 CB PRO A 79 31.807 57.423 65.243 1.00 24.32 C ATOM 604 CG PRO A 79 32.699 56.188 65.221 1.00 25.50 C ATOM 605 CD PRO A 79 33.813 56.422 66.212 1.00 26.95 C ATOM 606 N PHE A 80 31.497 57.246 68.925 1.00 25.32 N ATOM 607 CA PHE A 80 30.699 56.661 70.005 1.00 24.04 C ATOM 608 C PHE A 80 30.743 57.663 71.158 1.00 26.94 C ATOM 609 O PHE A 80 31.684 58.459 71.270 1.00 25.89 O ATOM 610 CB PHE A 80 31.278 55.313 70.495 1.00 21.77 C ATOM 611 CG PHE A 80 31.315 54.229 69.446 1.00 23.70 C ATOM 612 CD1 PHE A 80 30.203 53.408 69.221 1.00 24.25 C ATOM 613 CD2 PHE A 80 32.443 54.057 68.649 1.00 21.61 C ATOM 614 CE1 PHE A 80 30.222 52.443 68.206 1.00 25.30 C ATOM 615 CE2 PHE A 80 32.467 53.099 67.637 1.00 23.16 C ATOM 616 CZ PHE A 80 31.356 52.292 67.411 1.00 24.38 C ATOM 617 N GLN A 81 29.726 57.632 72.009 1.00 26.52 N ATOM 618 CA GLN A 81 29.663 58.538 73.141 1.00 29.00 C ATOM 619 C GLN A 81 29.030 57.858 74.350 1.00 29.87 C ATOM 620 O GLN A 81 28.078 57.080 74.209 1.00 30.53 O ATOM 621 CB GLN A 81 28.829 59.758 72.789 1.00 29.91 C ATOM 622 CG GLN A 81 29.495 60.701 71.886 1.00 38.70 C ATOM 623 CD GLN A 81 29.168 62.112 72.267 1.00 44.72 C ATOM 624 OE1 GLN A 81 28.961 62.965 71.406 1.00 49.69 O ATOM 625 NE2 GLN A 81 29.114 62.374 73.564 1.00 46.40 N ATOM 626 N ARG A 82 29.555 58.148 75.537 1.00 29.06 N ATOM 627 CA ARG A 82 28.991 57.584 76.753 1.00 29.91 C ATOM 628 C ARG A 82 27.574 58.169 76.893 1.00 30.70 C ATOM 629 O ARG A 82 27.359 59.370 76.630 1.00 28.88 O ATOM 630 CB ARG A 82 29.838 57.972 77.968 1.00 28.90 C ATOM 631 CG ARG A 82 31.235 57.422 77.928 1.00 29.29 C ATOM 632 CD ARG A 82 32.132 58.167 78.873 1.00 30.95 C ATOM 633 NE ARG A 82 33.191 57.295 79.355 1.00 35.40 N ATOM 634 CZ ARG A 82 34.472 57.630 79.382 1.00 38.78 C ATOM 635 NH1 ARG A 82 34.835 58.825 78.948 1.00 40.17 N ATOM 636 NH2 ARG A 82 35.383 56.775 79.838 1.00 38.72 N ATOM 637 N GLY A 83 26.622 57.322 77.290 1.00 28.57 N ATOM 638 CA GLY A 83 25.250 57.767 77.459 1.00 26.87 C ATOM 639 C GLY A 83 24.490 57.895 76.151 1.00 25.83 C ATOM 640 O GLY A 83 23.394 58.461 76.130 1.00 26.64 O ATOM 641 N GLN A 84 25.060 57.374 75.063 1.00 24.26 N ATOM 642 CA GLN A 84 24.418 57.430 73.752 1.00 24.45 C ATOM 643 C GLN A 84 24.314 56.071 73.090 1.00 24.91 C ATOM 644 O GLN A 84 25.232 55.258 73.182 1.00 24.45 O ATOM 645 CB GLN A 84 25.171 58.349 72.788 1.00 25.30 C ATOM 646 CG GLN A 84 25.110 59.800 73.146 1.00 31.28 C ATOM 647 CD GLN A 84 23.690 60.306 73.233 1.00 35.57 C ATOM 648 OE1 GLN A 84 22.882 60.100 72.317 1.00 36.72 O ATOM 649 NE2 GLN A 84 23.371 60.965 74.342 1.00 36.48 N ATOM 650 N PRO A 85 23.174 55.804 72.420 1.00 24.99 N ATOM 651 CA PRO A 85 22.954 54.533 71.726 1.00 24.53 C ATOM 652 C PRO A 85 23.692 54.560 70.384 1.00 24.75 C ATOM 653 O PRO A 85 24.113 55.622 69.906 1.00 24.86 O ATOM 654 CB PRO A 85 21.440 54.477 71.556 1.00 23.23 C ATOM 655 CG PRO A 85 21.061 55.917 71.414 1.00 23.12 C ATOM 656 CD PRO A 85 21.989 56.682 72.328 1.00 25.04 C ATOM 657 N PHE A 86 23.846 53.396 69.772 1.00 23.50 N ATOM 658 CA PHE A 86 24.570 53.323 68.515 1.00 22.19 C ATOM 659 C PHE A 86 24.093 52.157 67.679 1.00 21.02 C ATOM 660 O PHE A 86 23.377 51.291 68.159 1.00 20.54 O ATOM 661 CB PHE A 86 26.079 53.154 68.792 1.00 18.53 C ATOM 662 CG PHE A 86 26.435 51.825 69.417 1.00 20.46 C ATOM 663 CD1 PHE A 86 26.546 50.673 68.633 1.00 20.34 C ATOM 664 CD2 PHE A 86 26.618 51.716 70.785 1.00 20.50 C ATOM 665 CE1 PHE A 86 26.830 49.421 69.205 1.00 19.94 C ATOM 666 CE2 PHE A 86 26.904 50.476 71.368 1.00 22.08 C ATOM 667 CZ PHE A 86 27.010 49.325 70.571 1.00 20.44 C ATOM 668 N GLU A 87 24.489 52.171 66.415 1.00 20.96 N ATOM 669 CA GLU A 87 24.207 51.096 65.506 1.00 23.47 C ATOM 670 C GLU A 87 25.474 50.898 64.694 1.00 23.52 C ATOM 671 O GLU A 87 26.001 51.838 64.117 1.00 25.42 O ATOM 672 CB GLU A 87 23.063 51.409 64.558 1.00 25.67 C ATOM 673 CG GLU A 87 22.840 50.237 63.613 1.00 32.22 C ATOM 674 CD GLU A 87 21.831 50.514 62.535 1.00 35.40 C ATOM 675 OE1 GLU A 87 22.183 51.186 61.541 1.00 41.21 O ATOM 676 OE2 GLU A 87 20.691 50.048 62.686 1.00 35.99 O ATOM 677 N VAL A 88 25.968 49.673 64.659 1.00 24.36 N ATOM 678 CA VAL A 88 27.180 49.364 63.912 1.00 22.88 C ATOM 679 C VAL A 88 26.893 48.251 62.907 1.00 21.57 C ATOM 680 O VAL A 88 26.238 47.265 63.234 1.00 22.07 O ATOM 681 CB VAL A 88 28.322 48.876 64.880 1.00 25.27 C ATOM 682 CG1 VAL A 88 29.544 48.392 64.081 1.00 25.73 C ATOM 683 CG2 VAL A 88 28.709 49.994 65.844 1.00 23.48 C ATOM 684 N LEU A 89 27.343 48.430 61.673 1.00 19.68 N ATOM 685 CA LEU A 89 27.209 47.381 60.673 1.00 20.76 C ATOM 686 C LEU A 89 28.650 46.950 60.369 1.00 21.69 C ATOM 687 O LEU A 89 29.515 47.800 60.131 1.00 22.37 O ATOM 688 CB LEU A 89 26.600 47.902 59.379 1.00 22.14 C ATOM 689 CG LEU A 89 25.123 48.255 59.301 1.00 26.15 C ATOM 690 CD1 LEU A 89 24.782 48.560 57.846 1.00 26.06 C ATOM 691 CD2 LEU A 89 24.296 47.116 59.803 1.00 24.77 C ATOM 692 N ILE A 90 28.916 45.652 60.407 1.00 19.90 N ATOM 693 CA ILE A 90 30.236 45.145 60.083 1.00 21.30 C ATOM 694 C ILE A 90 29.917 44.260 58.901 1.00 21.98 C ATOM 695 O ILE A 90 29.268 43.223 59.058 1.00 22.07 O ATOM 696 CB ILE A 90 30.857 44.334 61.266 1.00 22.74 C ATOM 697 CG1 ILE A 90 31.351 45.298 62.359 1.00 21.24 C ATOM 698 CG2 ILE A 90 32.031 43.480 60.763 1.00 24.72 C ATOM 699 CD1 ILE A 90 31.788 44.620 63.636 1.00 25.41 C ATOM 700 N ILE A 91 30.333 44.698 57.709 1.00 22.66 N ATOM 701 CA ILE A 91 30.065 43.972 56.465 1.00 21.69 C ATOM 702 C ILE A 91 31.271 43.260 55.886 1.00 23.83 C ATOM 703 O ILE A 91 32.300 43.877 55.616 1.00 26.63 O ATOM 704 CB ILE A 91 29.551 44.919 55.377 1.00 22.33 C ATOM 705 CG1 ILE A 91 28.426 45.793 55.944 1.00 19.43 C ATOM 706 CG2 ILE A 91 29.164 44.102 54.116 1.00 21.76 C ATOM 707 CD1 ILE A 91 28.330 47.185 55.302 1.00 20.16 C ATOM 708 N ALA A 92 31.143 41.960 55.683 1.00 24.59 N ATOM 709 CA ALA A 92 32.221 41.186 55.111 1.00 27.10 C ATOM 710 C ALA A 92 32.110 41.249 53.601 1.00 30.51 C ATOM 711 O ALA A 92 31.038 41.017 53.052 1.00 32.12 O ATOM 712 CB ALA A 92 32.132 39.740 55.568 1.00 25.80 C ATOM 713 N SER A 93 33.206 41.595 52.930 1.00 32.94 N ATOM 714 CA SER A 93 33.235 41.612 51.469 1.00 33.88 C ATOM 715 C SER A 93 34.404 40.704 51.077 1.00 34.41 C ATOM 716 O SER A 93 34.997 40.051 51.937 1.00 33.21 O ATOM 717 CB SER A 93 33.417 43.034 50.917 1.00 33.44 C ATOM 718 OG SER A 93 34.708 43.521 51.186 1.00 37.22 O ATOM 719 N ASP A 94 34.722 40.644 49.790 1.00 37.12 N ATOM 720 CA ASP A 94 35.810 39.797 49.301 1.00 37.17 C ATOM 721 C ASP A 94 37.159 40.194 49.880 1.00 34.72 C ATOM 722 O ASP A 94 37.944 39.346 50.306 1.00 35.91 O ATOM 723 CB ASP A 94 35.912 39.898 47.774 1.00 42.35 C ATOM 724 CG ASP A 94 34.998 38.926 47.054 1.00 47.33 C ATOM 725 OD1 ASP A 94 34.717 37.840 47.613 1.00 50.30 O ATOM 726 OD2 ASP A 94 34.565 39.256 45.920 1.00 51.07 O ATOM 727 N ASP A 95 37.427 41.490 49.886 1.00 32.50 N ATOM 728 CA ASP A 95 38.705 41.973 50.355 1.00 33.23 C ATOM 729 C ASP A 95 38.849 42.418 51.826 1.00 31.47 C ATOM 730 O ASP A 95 39.957 42.700 52.283 1.00 30.31 O ATOM 731 CB ASP A 95 39.166 43.071 49.398 1.00 37.43 C ATOM 732 CG ASP A 95 38.355 44.332 49.526 1.00 42.95 C ATOM 733 OD1 ASP A 95 37.214 44.257 50.028 1.00 47.97 O ATOM 734 OD2 ASP A 95 38.862 45.406 49.127 1.00 47.29 O ATOM 735 N GLY A 96 37.755 42.462 52.579 1.00 29.59 N ATOM 736 CA GLY A 96 37.851 42.872 53.974 1.00 29.47 C ATOM 737 C GLY A 96 36.518 43.097 54.680 1.00 28.66 C ATOM 738 O GLY A 96 35.482 42.618 54.226 1.00 27.97 O ATOM 739 N PHE A 97 36.547 43.805 55.809 1.00 27.19 N ATOM 740 CA PHE A 97 35.334 44.115 56.579 1.00 26.22 C ATOM 741 C PHE A 97 35.107 45.616 56.529 1.00 27.05 C ATOM 742 O PHE A 97 36.033 46.387 56.808 1.00 28.71 O ATOM 743 CB PHE A 97 35.485 43.733 58.063 1.00 24.10 C ATOM 744 CG PHE A 97 35.593 42.269 58.307 1.00 25.34 C ATOM 745 CD1 PHE A 97 34.467 41.458 58.255 1.00 25.61 C ATOM 746 CD2 PHE A 97 36.826 41.689 58.578 1.00 25.24 C ATOM 747 CE1 PHE A 97 34.556 40.088 58.465 1.00 26.24 C ATOM 748 CE2 PHE A 97 36.932 40.323 58.793 1.00 27.43 C ATOM 749 CZ PHE A 97 35.788 39.513 58.737 1.00 29.60 C ATOM 750 N LYS A 98 33.895 46.042 56.172 1.00 27.39 N ATOM 751 CA LYS A 98 33.569 47.473 56.175 1.00 25.55 C ATOM 752 C LYS A 98 32.873 47.729 57.517 1.00 24.78 C ATOM 753 O LYS A 98 31.984 46.957 57.910 1.00 24.85 O ATOM 754 CB LYS A 98 32.622 47.820 55.027 1.00 26.94 C ATOM 755 CG LYS A 98 33.189 47.537 53.661 1.00 28.58 C ATOM 756 CD LYS A 98 32.173 47.860 52.581 1.00 32.88 C ATOM 757 CE LYS A 98 31.355 46.635 52.200 1.00 31.97 C ATOM 758 NZ LYS A 98 30.710 46.875 50.888 1.00 33.53 N ATOM 759 N ALA A 99 33.289 48.776 58.225 1.00 21.87 N ATOM 760 CA ALA A 99 32.704 49.116 59.514 1.00 24.10 C ATOM 761 C ALA A 99 31.952 50.394 59.278 1.00 25.85 C ATOM 762 O ALA A 99 32.554 51.394 58.891 1.00 28.60 O ATOM 763 CB ALA A 99 33.785 49.334 60.581 1.00 20.96 C ATOM 764 N VAL A 100 30.638 50.354 59.506 1.00 26.18 N ATOM 765 CA VAL A 100 29.750 51.504 59.312 1.00 25.14 C ATOM 766 C VAL A 100 29.187 51.869 60.667 1.00 25.21 C ATOM 767 O VAL A 100 28.655 51.020 61.366 1.00 26.21 O ATOM 768 CB VAL A 100 28.568 51.147 58.346 1.00 25.02 C ATOM 769 CG1 VAL A 100 27.681 52.382 58.093 1.00 23.40 C ATOM 770 CG2 VAL A 100 29.118 50.585 57.028 1.00 20.13 C ATOM 771 N VAL A 101 29.335 53.123 61.060 1.00 27.01 N ATOM 772 CA VAL A 101 28.829 53.570 62.350 1.00 28.79 C ATOM 773 C VAL A 101 27.975 54.805 62.151 1.00 31.14 C ATOM 774 O VAL A 101 28.370 55.721 61.446 1.00 31.73 O ATOM 775 CB VAL A 101 29.972 53.923 63.334 1.00 29.80 C ATOM 776 CG1 VAL A 101 29.382 54.165 64.729 1.00 29.02 C ATOM 777 CG2 VAL A 101 31.014 52.802 63.370 1.00 25.00 C ATOM 778 N GLY A 102 26.797 54.825 62.763 1.00 33.89 N ATOM 779 CA GLY A 102 25.919 55.974 62.614 1.00 35.73 C ATOM 780 C GLY A 102 25.647 56.363 61.165 1.00 37.34 C ATOM 781 O GLY A 102 25.672 57.550 60.823 1.00 38.56 O ATOM 782 N ASP A 103 25.415 55.370 60.308 1.00 37.19 N ATOM 783 CA ASP A 103 25.106 55.612 58.905 1.00 39.37 C ATOM 784 C ASP A 103 26.209 56.160 58.008 1.00 38.33 C ATOM 785 O ASP A 103 25.927 56.691 56.937 1.00 36.78 O ATOM 786 CB ASP A 103 23.910 56.548 58.806 1.00 45.82 C ATOM 787 CG ASP A 103 22.619 55.812 58.544 1.00 50.41 C ATOM 788 OD1 ASP A 103 22.481 54.647 58.988 1.00 52.83 O ATOM 789 OD2 ASP A 103 21.740 56.409 57.891 1.00 55.38 O ATOM 790 N ALA A 104 27.459 56.043 58.426 1.00 37.44 N ATOM 791 CA ALA A 104 28.551 56.538 57.599 1.00 36.06 C ATOM 792 C ALA A 104 29.631 55.480 57.567 1.00 36.04 C ATOM 793 O ALA A 104 29.821 54.768 58.557 1.00 37.04 O ATOM 794 CB ALA A 104 29.100 57.830 58.180 1.00 34.83 C ATOM 795 N GLN A 105 30.325 55.366 56.432 1.00 36.35 N ATOM 796 CA GLN A 105 31.421 54.397 56.289 1.00 35.29 C ATOM 797 C GLN A 105 32.526 54.869 57.235 1.00 32.84 C ATOM 798 O GLN A 105 32.966 56.007 57.165 1.00 32.57 O ATOM 799 CB GLN A 105 31.917 54.365 54.843 1.00 39.12 C ATOM 800 CG GLN A 105 33.265 53.677 54.659 1.00 47.75 C ATOM 801 CD GLN A 105 33.202 52.172 54.865 1.00 51.55 C ATOM 802 OE1 GLN A 105 32.124 51.569 54.851 1.00 54.67 O ATOM 803 NE2 GLN A 105 34.365 51.555 55.056 1.00 53.64 N ATOM 804 N TYR A 106 32.969 54.003 58.133 1.00 30.87 N ATOM 805 CA TYR A 106 33.962 54.415 59.108 1.00 29.14 C ATOM 806 C TYR A 106 35.383 53.902 58.890 1.00 28.94 C ATOM 807 O TYR A 106 36.335 54.663 59.015 1.00 29.50 O ATOM 808 CB TYR A 106 33.473 54.039 60.506 1.00 28.90 C ATOM 809 CG TYR A 106 34.469 54.320 61.595 1.00 28.57 C ATOM 810 CD1 TYR A 106 34.704 55.622 62.029 1.00 28.41 C ATOM 811 CD2 TYR A 106 35.199 53.288 62.176 1.00 26.34 C ATOM 812 CE1 TYR A 106 35.649 55.889 63.012 1.00 28.56 C ATOM 813 CE2 TYR A 106 36.141 53.541 63.155 1.00 27.82 C ATOM 814 CZ TYR A 106 36.368 54.837 63.569 1.00 27.47 C ATOM 815 OH TYR A 106 37.343 55.089 64.508 1.00 27.87 O ATOM 816 N HIS A 107 35.538 52.625 58.573 1.00 26.64 N ATOM 817 CA HIS A 107 36.874 52.090 58.359 1.00 26.67 C ATOM 818 C HIS A 107 36.778 50.795 57.586 1.00 27.46 C ATOM 819 O HIS A 107 35.784 50.085 57.706 1.00 30.11 O ATOM 820 CB HIS A 107 37.564 51.839 59.712 1.00 27.97 C ATOM 821 CG HIS A 107 38.997 51.403 59.594 1.00 29.20 C ATOM 822 ND1 HIS A 107 40.018 52.272 59.278 1.00 29.46 N ATOM 823 CD2 HIS A 107 39.575 50.182 59.734 1.00 28.68 C ATOM 824 CE1 HIS A 107 41.161 51.611 59.227 1.00 31.55 C ATOM 825 NE2 HIS A 107 40.921 50.340 59.501 1.00 31.12 N ATOM 826 N HIS A 108 37.779 50.499 56.763 1.00 26.40 N ATOM 827 CA HIS A 108 37.788 49.251 56.026 1.00 28.18 C ATOM 828 C HIS A 108 38.996 48.467 56.511 1.00 28.15 C ATOM 829 O HIS A 108 40.124 48.957 56.426 1.00 28.49 O ATOM 830 CB HIS A 108 37.899 49.492 54.528 1.00 31.34 C ATOM 831 CG HIS A 108 37.926 48.231 53.727 1.00 37.19 C ATOM 832 ND1 HIS A 108 39.099 47.569 53.424 1.00 39.89 N ATOM 833 CD2 HIS A 108 36.926 47.473 53.219 1.00 37.83 C ATOM 834 CE1 HIS A 108 38.817 46.456 52.765 1.00 40.32 C ATOM 835 NE2 HIS A 108 37.506 46.376 52.628 1.00 39.88 N ATOM 836 N PHE A 109 38.752 47.266 57.032 1.00 26.01 N ATOM 837 CA PHE A 109 39.806 46.396 57.565 1.00 26.45 C ATOM 838 C PHE A 109 40.082 45.218 56.631 1.00 27.50 C ATOM 839 O PHE A 109 39.333 44.243 56.575 1.00 27.66 O ATOM 840 CB PHE A 109 39.405 45.889 58.958 1.00 24.13 C ATOM 841 CG PHE A 109 40.497 45.133 59.697 1.00 24.35 C ATOM 842 CD1 PHE A 109 41.462 45.808 60.438 1.00 24.07 C ATOM 843 CD2 PHE A 109 40.489 43.740 59.750 1.00 25.36 C ATOM 844 CE1 PHE A 109 42.405 45.102 61.239 1.00 22.62 C ATOM 845 CE2 PHE A 109 41.439 43.027 60.555 1.00 24.77 C ATOM 846 CZ PHE A 109 42.388 43.723 61.296 1.00 20.80 C ATOM 847 N ARG A 110 41.176 45.316 55.894 1.00 28.46 N ATOM 848 CA ARG A 110 41.576 44.279 54.959 1.00 31.18 C ATOM 849 C ARG A 110 41.720 42.919 55.690 1.00 29.07 C ATOM 850 O ARG A 110 42.234 42.862 56.802 1.00 29.06 O ATOM 851 CB ARG A 110 42.876 44.755 54.295 1.00 37.56 C ATOM 852 CG ARG A 110 43.629 43.741 53.514 1.00 49.17 C ATOM 853 CD ARG A 110 43.312 43.861 52.053 1.00 59.83 C ATOM 854 NE ARG A 110 43.151 42.529 51.479 1.00 70.81 N ATOM 855 CZ ARG A 110 42.395 42.254 50.420 1.00 76.16 C ATOM 856 NH1 ARG A 110 41.724 43.226 49.813 1.00 79.00 N ATOM 857 NH2 ARG A 110 42.313 41.008 49.967 1.00 80.36 N ATOM 858 N HIS A 111 41.242 41.830 55.088 1.00 26.98 N ATOM 859 CA HIS A 111 41.328 40.509 55.716 1.00 26.80 C ATOM 860 C HIS A 111 42.761 40.096 56.045 1.00 27.85 C ATOM 861 O HIS A 111 43.669 40.288 55.239 1.00 28.19 O ATOM 862 CB HIS A 111 40.737 39.422 54.797 1.00 28.08 C ATOM 863 CG HIS A 111 39.257 39.528 54.591 1.00 29.28 C ATOM 864 ND1 HIS A 111 38.369 39.719 55.628 1.00 29.63 N ATOM 865 CD2 HIS A 111 38.510 39.475 53.460 1.00 28.65 C ATOM 866 CE1 HIS A 111 37.140 39.780 55.145 1.00 30.56 C ATOM 867 NE2 HIS A 111 37.200 39.635 53.833 1.00 29.31 N ATOM 868 N ARG A 112 42.950 39.513 57.222 1.00 26.56 N ATOM 869 CA ARG A 112 44.249 39.027 57.635 1.00 28.14 C ATOM 870 C ARG A 112 44.167 37.509 57.739 1.00 30.88 C ATOM 871 O ARG A 112 45.148 36.820 57.502 1.00 33.17 O ATOM 872 CB ARG A 112 44.655 39.643 58.966 1.00 24.59 C ATOM 873 CG ARG A 112 44.968 41.106 58.831 1.00 23.48 C ATOM 874 CD ARG A 112 45.223 41.685 60.174 1.00 24.26 C ATOM 875 NE ARG A 112 45.458 43.122 60.116 1.00 25.93 N ATOM 876 CZ ARG A 112 45.906 43.833 61.154 1.00 26.92 C ATOM 877 NH1 ARG A 112 46.162 43.227 62.308 1.00 25.25 N ATOM 878 NH2 ARG A 112 46.078 45.150 61.052 1.00 25.35 N ATOM 879 N LEU A 113 43.000 36.986 58.112 1.00 32.40 N ATOM 880 CA LEU A 113 42.802 35.536 58.179 1.00 31.38 C ATOM 881 C LEU A 113 41.651 35.225 57.234 1.00 31.23 C ATOM 882 O LEU A 113 40.837 36.095 56.916 1.00 30.08 O ATOM 883 CB LEU A 113 42.423 35.042 59.586 1.00 31.82 C ATOM 884 CG LEU A 113 42.984 35.553 60.914 1.00 32.78 C ATOM 885 CD1 LEU A 113 42.899 34.435 61.926 1.00 30.78 C ATOM 886 CD2 LEU A 113 44.401 36.035 60.769 1.00 35.32 C ATOM 887 N PRO A 114 41.571 33.975 56.765 1.00 32.99 N ATOM 888 CA PRO A 114 40.488 33.595 55.849 1.00 32.60 C ATOM 889 C PRO A 114 39.106 33.648 56.512 1.00 32.66 C ATOM 890 O PRO A 114 38.893 33.074 57.582 1.00 31.40 O ATOM 891 CB PRO A 114 40.870 32.174 55.393 1.00 30.75 C ATOM 892 CG PRO A 114 42.277 31.960 55.855 1.00 31.43 C ATOM 893 CD PRO A 114 42.479 32.848 57.050 1.00 32.93 C ATOM 894 N LEU A 115 38.183 34.350 55.862 1.00 33.41 N ATOM 895 CA LEU A 115 36.812 34.506 56.338 1.00 34.18 C ATOM 896 C LEU A 115 36.206 33.165 56.727 1.00 34.61 C ATOM 897 O LEU A 115 35.378 33.083 57.638 1.00 34.86 O ATOM 898 CB LEU A 115 35.944 35.108 55.230 1.00 34.18 C ATOM 899 CG LEU A 115 35.431 36.538 55.285 1.00 34.00 C ATOM 900 CD1 LEU A 115 34.347 36.659 54.233 1.00 32.80 C ATOM 901 CD2 LEU A 115 34.903 36.892 56.675 1.00 32.06 C ATOM 902 N ALA A 116 36.619 32.116 56.025 1.00 33.94 N ATOM 903 CA ALA A 116 36.086 30.785 56.259 1.00 34.07 C ATOM 904 C ALA A 116 36.454 30.147 57.592 1.00 34.09 C ATOM 905 O ALA A 116 35.900 29.103 57.958 1.00 35.35 O ATOM 906 CB ALA A 116 36.489 29.868 55.112 1.00 34.65 C ATOM 907 N ARG A 117 37.372 30.761 58.327 1.00 31.71 N ATOM 908 CA ARG A 117 37.769 30.200 59.608 1.00 29.84 C ATOM 909 C ARG A 117 36.898 30.709 60.764 1.00 27.75 C ATOM 910 O ARG A 117 36.899 30.110 61.835 1.00 27.26 O ATOM 911 CB ARG A 117 39.248 30.521 59.897 1.00 33.47 C ATOM 912 CG ARG A 117 40.275 29.846 58.982 1.00 33.53 C ATOM 913 CD ARG A 117 41.398 29.229 59.797 1.00 41.28 C ATOM 914 NE ARG A 117 42.112 30.191 60.650 1.00 45.69 N ATOM 915 CZ ARG A 117 42.476 29.968 61.920 1.00 46.32 C ATOM 916 NH1 ARG A 117 42.203 28.814 62.521 1.00 47.07 N ATOM 917 NH2 ARG A 117 43.130 30.904 62.598 1.00 45.10 N ATOM 918 N VAL A 118 36.155 31.799 60.544 1.00 26.54 N ATOM 919 CA VAL A 118 35.308 32.396 61.588 1.00 23.81 C ATOM 920 C VAL A 118 34.203 31.442 62.035 1.00 23.94 C ATOM 921 O VAL A 118 33.546 30.814 61.202 1.00 26.36 O ATOM 922 CB VAL A 118 34.673 33.723 61.116 1.00 23.38 C ATOM 923 CG1 VAL A 118 33.713 34.243 62.197 1.00 22.78 C ATOM 924 CG2 VAL A 118 35.752 34.755 60.843 1.00 19.85 C ATOM 925 N ARG A 119 33.981 31.341 63.341 1.00 21.49 N ATOM 926 CA ARG A 119 32.983 30.405 63.860 1.00 23.15 C ATOM 927 C ARG A 119 32.116 30.972 64.980 1.00 23.14 C ATOM 928 O ARG A 119 31.152 30.336 65.420 1.00 23.27 O ATOM 929 CB ARG A 119 33.689 29.144 64.408 1.00 23.91 C ATOM 930 CG ARG A 119 34.188 28.153 63.368 1.00 27.89 C ATOM 931 CD ARG A 119 33.055 27.446 62.657 1.00 32.78 C ATOM 932 NE ARG A 119 33.539 26.570 61.589 1.00 38.52 N ATOM 933 CZ ARG A 119 34.025 27.000 60.422 1.00 39.82 C ATOM 934 NH1 ARG A 119 34.105 28.301 60.170 1.00 39.70 N ATOM 935 NH2 ARG A 119 34.442 26.134 59.506 1.00 38.82 N ATOM 936 N LEU A 120 32.431 32.170 65.441 1.00 23.23 N ATOM 937 CA LEU A 120 31.699 32.703 66.568 1.00 24.13 C ATOM 938 C LEU A 120 31.810 34.208 66.622 1.00 23.16 C ATOM 939 O LEU A 120 32.798 34.761 66.183 1.00 23.19 O ATOM 940 CB LEU A 120 32.301 32.083 67.826 1.00 27.24 C ATOM 941 CG LEU A 120 31.835 32.529 69.198 1.00 33.02 C ATOM 942 CD1 LEU A 120 30.543 31.799 69.556 1.00 37.09 C ATOM 943 CD2 LEU A 120 32.910 32.215 70.221 1.00 35.59 C ATOM 944 N VAL A 121 30.776 34.876 67.118 1.00 23.70 N ATOM 945 CA VAL A 121 30.808 36.325 67.266 1.00 23.47 C ATOM 946 C VAL A 121 30.621 36.541 68.749 1.00 25.66 C ATOM 947 O VAL A 121 29.727 35.951 69.367 1.00 25.59 O ATOM 948 CB VAL A 121 29.658 37.058 66.549 1.00 21.99 C ATOM 949 CG1 VAL A 121 29.789 38.545 66.778 1.00 23.95 C ATOM 950 CG2 VAL A 121 29.706 36.804 65.093 1.00 25.46 C ATOM 951 N GLU A 122 31.470 37.381 69.326 1.00 23.80 N ATOM 952 CA GLU A 122 31.386 37.657 70.731 1.00 24.07 C ATOM 953 C GLU A 122 31.373 39.166 70.942 1.00 25.26 C ATOM 954 O GLU A 122 32.100 39.909 70.271 1.00 24.17 O ATOM 955 CB GLU A 122 32.574 36.993 71.419 1.00 26.81 C ATOM 956 CG GLU A 122 32.910 37.502 72.792 1.00 33.80 C ATOM 957 CD GLU A 122 34.247 36.967 73.256 1.00 39.75 C ATOM 958 OE1 GLU A 122 34.272 35.873 73.873 1.00 41.62 O ATOM 959 OE2 GLU A 122 35.270 37.634 72.980 1.00 41.13 O ATOM 960 N VAL A 123 30.518 39.627 71.849 1.00 24.27 N ATOM 961 CA VAL A 123 30.425 41.056 72.150 1.00 23.55 C ATOM 962 C VAL A 123 30.576 41.191 73.680 1.00 25.60 C ATOM 963 O VAL A 123 29.909 40.483 74.450 1.00 27.91 O ATOM 964 CB VAL A 123 29.060 41.641 71.667 1.00 22.77 C ATOM 965 CG1 VAL A 123 28.906 43.052 72.166 1.00 25.54 C ATOM 966 CG2 VAL A 123 28.976 41.625 70.137 1.00 19.93 C ATOM 967 N GLY A 124 31.474 42.064 74.133 1.00 22.93 N ATOM 968 CA GLY A 124 31.657 42.201 75.565 1.00 21.24 C ATOM 969 C GLY A 124 32.190 43.554 75.969 1.00 20.32 C ATOM 970 O GLY A 124 32.332 44.443 75.140 1.00 22.00 O ATOM 971 N GLY A 125 32.470 43.726 77.251 1.00 20.40 N ATOM 972 CA GLY A 125 32.987 44.996 77.706 1.00 21.06 C ATOM 973 C GLY A 125 31.887 45.869 78.280 1.00 22.41 C ATOM 974 O GLY A 125 30.862 45.353 78.716 1.00 22.25 O ATOM 975 N ASP A 126 32.122 47.185 78.286 1.00 22.52 N ATOM 976 CA ASP A 126 31.195 48.190 78.806 1.00 23.49 C ATOM 977 C ASP A 126 30.172 48.641 77.787 1.00 22.32 C ATOM 978 O ASP A 126 30.261 49.751 77.303 1.00 22.52 O ATOM 979 CB ASP A 126 31.941 49.448 79.237 1.00 27.04 C ATOM 980 CG ASP A 126 33.000 49.176 80.248 1.00 30.44 C ATOM 981 OD1 ASP A 126 32.817 48.242 81.042 1.00 33.70 O ATOM 982 OD2 ASP A 126 34.012 49.904 80.248 1.00 33.62 O ATOM 983 N VAL A 127 29.204 47.797 77.472 1.00 22.62 N ATOM 984 CA VAL A 127 28.150 48.135 76.518 1.00 22.77 C ATOM 985 C VAL A 127 26.882 47.395 76.987 1.00 23.38 C ATOM 986 O VAL A 127 26.972 46.348 77.626 1.00 23.21 O ATOM 987 CB VAL A 127 28.524 47.672 75.095 1.00 21.93 C ATOM 988 CG1 VAL A 127 28.678 46.162 75.070 1.00 20.85 C ATOM 989 CG2 VAL A 127 27.481 48.131 74.095 1.00 19.48 C ATOM 990 N GLN A 128 25.708 47.953 76.701 1.00 24.05 N ATOM 991 CA GLN A 128 24.435 47.326 77.086 1.00 22.24 C ATOM 992 C GLN A 128 23.795 47.059 75.758 1.00 21.33 C ATOM 993 O GLN A 128 23.348 47.973 75.078 1.00 22.67 O ATOM 994 CB GLN A 128 23.607 48.284 77.951 1.00 21.32 C ATOM 995 CG GLN A 128 24.183 48.374 79.333 1.00 21.85 C ATOM 996 CD GLN A 128 23.313 49.080 80.314 1.00 24.20 C ATOM 997 OE1 GLN A 128 23.090 50.293 80.221 1.00 24.62 O ATOM 998 NE2 GLN A 128 22.820 48.331 81.287 1.00 25.20 N ATOM 999 N LEU A 129 23.802 45.793 75.374 1.00 21.01 N ATOM 1000 CA LEU A 129 23.303 45.385 74.083 1.00 23.24 C ATOM 1001 C LEU A 129 21.783 45.424 73.890 1.00 23.78 C ATOM 1002 O LEU A 129 21.004 45.062 74.768 1.00 24.69 O ATOM 1003 CB LEU A 129 23.838 43.980 73.776 1.00 23.51 C ATOM 1004 CG LEU A 129 24.736 43.716 72.578 1.00 27.61 C ATOM 1005 CD1 LEU A 129 25.673 44.863 72.344 1.00 27.10 C ATOM 1006 CD2 LEU A 129 25.503 42.437 72.838 1.00 31.98 C ATOM 1007 N ASP A 130 21.382 45.898 72.721 1.00 23.65 N ATOM 1008 CA ASP A 130 19.990 45.952 72.339 1.00 22.57 C ATOM 1009 C ASP A 130 19.851 44.652 71.528 1.00 22.44 C ATOM 1010 O ASP A 130 19.167 43.727 71.946 1.00 24.51 O ATOM 1011 CB ASP A 130 19.763 47.196 71.493 1.00 22.59 C ATOM 1012 CG ASP A 130 18.348 47.298 70.948 1.00 25.78 C ATOM 1013 OD1 ASP A 130 17.658 46.273 70.836 1.00 22.07 O ATOM 1014 OD2 ASP A 130 17.934 48.425 70.617 1.00 27.78 O ATOM 1015 N SER A 131 20.544 44.549 70.401 1.00 21.22 N ATOM 1016 CA SER A 131 20.489 43.330 69.595 1.00 22.59 C ATOM 1017 C SER A 131 21.723 43.116 68.694 1.00 21.77 C ATOM 1018 O SER A 131 22.422 44.061 68.329 1.00 19.77 O ATOM 1019 CB SER A 131 19.250 43.333 68.697 1.00 21.47 C ATOM 1020 OG SER A 131 19.394 44.285 67.661 1.00 26.66 O ATOM 1021 N VAL A 132 21.958 41.855 68.345 1.00 20.26 N ATOM 1022 CA VAL A 132 23.034 41.461 67.465 1.00 20.15 C ATOM 1023 C VAL A 132 22.326 40.579 66.461 1.00 20.23 C ATOM 1024 O VAL A 132 21.811 39.523 66.822 1.00 22.10 O ATOM 1025 CB VAL A 132 24.119 40.602 68.181 1.00 19.55 C ATOM 1026 CG1 VAL A 132 25.133 40.139 67.182 1.00 19.18 C ATOM 1027 CG2 VAL A 132 24.811 41.399 69.254 1.00 21.29 C ATOM 1028 N ARG A 133 22.279 41.014 65.211 1.00 21.53 N ATOM 1029 CA ARG A 133 21.641 40.241 64.157 1.00 24.58 C ATOM 1030 C ARG A 133 22.664 39.968 63.051 1.00 24.73 C ATOM 1031 O ARG A 133 23.465 40.833 62.719 1.00 26.87 O ATOM 1032 CB ARG A 133 20.461 41.014 63.550 1.00 27.99 C ATOM 1033 CG ARG A 133 19.331 41.318 64.508 1.00 36.78 C ATOM 1034 CD ARG A 133 18.305 40.178 64.557 1.00 43.32 C ATOM 1035 NE ARG A 133 18.100 39.707 65.929 1.00 49.96 N ATOM 1036 CZ ARG A 133 17.175 40.184 66.762 1.00 53.37 C ATOM 1037 NH1 ARG A 133 16.355 41.157 66.364 1.00 54.07 N ATOM 1038 NH2 ARG A 133 17.085 39.701 68.004 1.00 54.25 N ATOM 1039 N ILE A 134 22.638 38.772 62.479 1.00 22.64 N ATOM 1040 CA ILE A 134 23.544 38.440 61.395 1.00 24.74 C ATOM 1041 C ILE A 134 22.754 38.080 60.138 1.00 25.07 C ATOM 1042 O ILE A 134 21.958 37.159 60.159 1.00 26.11 O ATOM 1043 CB ILE A 134 24.448 37.271 61.800 1.00 26.56 C ATOM 1044 CG1 ILE A 134 25.349 37.714 62.955 1.00 27.72 C ATOM 1045 CG2 ILE A 134 25.305 36.833 60.620 1.00 24.26 C ATOM 1046 CD1 ILE A 134 25.974 36.589 63.701 1.00 32.91 C ATOM 1047 N PHE A 135 22.963 38.810 59.049 1.00 25.15 N ATOM 1048 CA PHE A 135 22.255 38.544 57.794 1.00 28.47 C ATOM 1049 C PHE A 135 23.150 38.002 56.657 1.00 29.98 C ATOM 1050 O PHE A 135 24.260 38.534 56.454 1.00 32.69 O ATOM 1051 CB PHE A 135 21.552 39.814 57.329 1.00 26.52 C ATOM 1052 CG PHE A 135 20.667 40.413 58.366 1.00 25.56 C ATOM 1053 CD1 PHE A 135 19.555 39.722 58.821 1.00 26.19 C ATOM 1054 CD2 PHE A 135 20.940 41.666 58.892 1.00 26.78 C ATOM 1055 CE1 PHE A 135 18.735 40.269 59.782 1.00 25.08 C ATOM 1056 CE2 PHE A 135 20.122 42.231 59.860 1.00 26.06 C ATOM 1057 CZ PHE A 135 19.015 41.531 60.306 1.00 27.18 C ATOM 1058 OXT PHE A 135 22.735 37.043 55.972 1.00 31.91 O TER 1059 PHE A 135 HETATM 1060 O HOH A 136 19.020 35.781 59.142 1.00 60.68 O HETATM 1061 O HOH A 137 20.833 36.703 63.672 1.00 52.77 O HETATM 1062 O HOH A 138 24.128 33.652 58.583 1.00 56.66 O HETATM 1063 O HOH A 139 27.422 30.421 59.824 1.00 64.12 O HETATM 1064 O HOH A 140 26.943 31.078 55.392 1.00 58.68 O HETATM 1065 O HOH A 141 33.463 26.940 56.900 1.00 54.74 O HETATM 1066 O HOH A 142 37.881 27.834 62.518 1.00 28.03 O HETATM 1067 O HOH A 143 40.251 27.378 62.268 1.00 39.07 O HETATM 1068 O HOH A 144 32.021 25.066 63.896 1.00 50.44 O HETATM 1069 O HOH A 145 32.255 26.056 66.600 1.00 51.46 O HETATM 1070 O HOH A 146 33.381 30.244 73.494 1.00 52.71 O HETATM 1071 O HOH A 147 36.736 31.676 71.624 1.00 37.41 O HETATM 1072 O HOH A 148 37.781 36.890 73.144 1.00 73.81 O HETATM 1073 O HOH A 149 39.143 40.488 73.236 1.00 52.31 O HETATM 1074 O HOH A 150 42.925 36.268 72.569 1.00 50.36 O HETATM 1075 O HOH A 151 45.237 32.722 69.273 1.00 41.24 O HETATM 1076 O HOH A 152 47.084 38.028 62.663 1.00 51.89 O HETATM 1077 O HOH A 153 50.935 36.353 61.584 1.00 64.62 O HETATM 1078 O HOH A 154 49.552 42.413 61.504 1.00 29.84 O HETATM 1079 O HOH A 155 47.268 47.315 58.381 1.00 50.22 O HETATM 1080 O HOH A 156 44.170 44.527 58.009 1.00 24.87 O HETATM 1081 O HOH A 157 43.255 47.504 56.668 1.00 27.39 O HETATM 1082 O HOH A 158 45.381 47.706 54.635 1.00 66.41 O HETATM 1083 O HOH A 159 41.200 49.270 53.478 1.00 57.96 O HETATM 1084 O HOH A 160 46.102 53.398 61.980 1.00 54.21 O HETATM 1085 O HOH A 161 47.380 51.984 65.065 1.00 29.78 O HETATM 1086 O HOH A 162 49.096 50.505 61.442 1.00 63.69 O HETATM 1087 O HOH A 163 47.149 50.009 71.910 1.00 33.17 O HETATM 1088 O HOH A 164 46.848 46.893 73.267 1.00 33.62 O HETATM 1089 O HOH A 165 45.220 45.087 69.783 1.00 28.73 O HETATM 1090 O HOH A 166 42.783 45.737 71.707 1.00 25.47 O HETATM 1091 O HOH A 167 41.295 46.678 75.358 1.00 50.66 O HETATM 1092 O HOH A 168 37.008 45.890 75.610 1.00 30.41 O HETATM 1093 O HOH A 169 36.012 45.806 78.711 1.00 54.01 O HETATM 1094 O HOH A 170 38.895 48.590 80.952 1.00 74.25 O HETATM 1095 O HOH A 171 41.047 50.836 80.382 1.00 56.44 O HETATM 1096 O HOH A 172 44.053 53.634 73.168 1.00 18.15 O HETATM 1097 O HOH A 173 43.799 57.543 67.255 1.00 58.23 O HETATM 1098 O HOH A 174 40.615 56.050 66.445 1.00 24.60 O HETATM 1099 O HOH A 175 37.123 61.967 68.062 1.00 52.76 O HETATM 1100 O HOH A 176 36.222 59.480 73.725 1.00 48.50 O HETATM 1101 O HOH A 177 33.291 60.024 72.842 1.00 46.79 O HETATM 1102 O HOH A 178 32.158 60.042 75.574 1.00 30.96 O HETATM 1103 O HOH A 179 25.896 61.566 75.862 1.00 45.79 O HETATM 1104 O HOH A 180 26.513 64.239 74.254 1.00 53.32 O HETATM 1105 O HOH A 181 27.692 55.766 71.354 1.00 19.94 O HETATM 1106 O HOH A 182 27.447 55.967 66.932 1.00 41.14 O HETATM 1107 O HOH A 183 25.443 54.988 65.430 1.00 26.78 O HETATM 1108 O HOH A 184 26.938 58.305 65.136 1.00 53.53 O HETATM 1109 O HOH A 185 23.278 57.980 68.342 1.00 54.79 O HETATM 1110 O HOH A 186 20.843 51.884 68.773 1.00 38.75 O HETATM 1111 O HOH A 187 19.160 50.876 71.334 1.00 47.97 O HETATM 1112 O HOH A 188 17.623 46.118 68.139 1.00 43.17 O HETATM 1113 O HOH A 189 20.827 44.565 65.463 1.00 25.63 O HETATM 1114 O HOH A 190 20.471 39.683 69.732 1.00 32.45 O HETATM 1115 O HOH A 191 19.377 41.078 72.799 1.00 38.92 O HETATM 1116 O HOH A 192 25.327 34.525 74.787 1.00 71.99 O HETATM 1117 O HOH A 193 29.168 35.045 80.533 1.00 64.42 O HETATM 1118 O HOH A 194 28.319 42.611 77.682 1.00 42.27 O HETATM 1119 O HOH A 195 28.051 52.874 83.654 1.00 54.17 O HETATM 1120 O HOH A 196 30.676 51.688 52.535 1.00 60.91 O HETATM 1121 O HOH A 197 39.005 37.826 57.596 1.00 30.01 O HETATM 1122 O HOH A 198 41.069 38.860 59.082 1.00 24.01 O HETATM 1123 O HOH A 199 35.221 32.975 50.998 1.00 51.28 O END If you find results from this site helpful for your research, please cite one of our papers:
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