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*** 4gal_monomerB ***elNémo ID: 2404091914343179286Job options:ID = 2404091914343179286 JOBID = 4gal_monomerB 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_monomerB 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 6 28-FEB-24 4GAL 1 HETSYN 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 HETSYN BGC BETA-D-GLUCOSE; D-GLUCOSE; GLUCOSE HETSYN GAL BETA-D-GALACTOSE; D-GALACTOSE; GALACTOSE 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 HELIX 2 2 LEU B 115 ARG B 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 SHEET 11 11 1 HIS B 5 SER B 8 0 SHEET 12 12 1 VAL B 18 LEU B 24 0 SHEET 13 13 1 PHE B 32 LEU B 37 0 SHEET 14 14 1 ALA B 46 ARG B 53 0 SHEET 15 15 1 GLU B 58 ASN B 62 0 SHEET 16 16 1 PRO B 85 SER B 93 0 SHEET 17 17 1 GLY B 96 VAL B 101 0 SHEET 18 18 1 ALA B 104 ARG B 110 0 SHEET 19 19 1 LEU B 120 GLY B 125 0 SHEET 20 20 1 GLN B 128 PHE B 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 TER 1059 PHE A 135 ATOM 1060 N SER B 1 2.550 62.142 41.103 1.00 82.86 N ATOM 1061 CA SER B 1 3.396 61.668 39.967 1.00 82.82 C ATOM 1062 C SER B 1 4.308 60.508 40.379 1.00 82.98 C ATOM 1063 O SER B 1 4.976 60.552 41.421 1.00 83.43 O ATOM 1064 CB SER B 1 4.246 62.824 39.423 1.00 82.16 C ATOM 1065 OG SER B 1 4.542 62.644 38.047 1.00 80.73 O ATOM 1066 N ASN B 2 4.333 59.470 39.551 1.00 81.75 N ATOM 1067 CA ASN B 2 5.157 58.302 39.823 1.00 79.85 C ATOM 1068 C ASN B 2 6.371 58.264 38.886 1.00 76.84 C ATOM 1069 O ASN B 2 6.410 57.508 37.907 1.00 76.84 O ATOM 1070 CB ASN B 2 4.299 57.024 39.700 1.00 82.16 C ATOM 1071 CG ASN B 2 5.105 55.727 39.854 1.00 83.72 C ATOM 1072 OD1 ASN B 2 6.337 55.730 39.879 1.00 84.32 O ATOM 1073 ND2 ASN B 2 4.394 54.605 39.949 1.00 84.49 N ATOM 1074 N VAL B 3 7.341 59.131 39.172 1.00 72.35 N ATOM 1075 CA VAL B 3 8.597 59.162 38.420 1.00 67.17 C ATOM 1076 C VAL B 3 9.420 58.229 39.307 1.00 62.64 C ATOM 1077 O VAL B 3 9.521 58.450 40.517 1.00 62.99 O ATOM 1078 CB VAL B 3 9.279 60.580 38.414 1.00 67.48 C ATOM 1079 CG1 VAL B 3 10.205 60.717 37.211 1.00 66.01 C ATOM 1080 CG2 VAL B 3 8.227 61.685 38.409 1.00 67.62 C ATOM 1081 N PRO B 4 9.976 57.151 38.742 1.00 58.00 N ATOM 1082 CA PRO B 4 10.741 56.312 39.661 1.00 54.43 C ATOM 1083 C PRO B 4 12.026 56.999 40.118 1.00 50.55 C ATOM 1084 O PRO B 4 12.549 57.868 39.424 1.00 52.94 O ATOM 1085 CB PRO B 4 11.014 55.037 38.846 1.00 54.75 C ATOM 1086 CG PRO B 4 10.126 55.131 37.629 1.00 54.85 C ATOM 1087 CD PRO B 4 9.970 56.601 37.378 1.00 57.20 C ATOM 1088 N HIS B 5 12.513 56.623 41.297 1.00 44.53 N ATOM 1089 CA HIS B 5 13.760 57.159 41.828 1.00 39.44 C ATOM 1090 C HIS B 5 14.889 56.409 41.120 1.00 37.76 C ATOM 1091 O HIS B 5 14.813 55.197 40.960 1.00 37.41 O ATOM 1092 CB HIS B 5 13.846 56.905 43.340 1.00 37.95 C ATOM 1093 CG HIS B 5 15.227 57.047 43.907 1.00 37.34 C ATOM 1094 ND1 HIS B 5 15.671 58.209 44.502 1.00 36.74 N ATOM 1095 CD2 HIS B 5 16.263 56.176 43.963 1.00 36.62 C ATOM 1096 CE1 HIS B 5 16.921 58.049 44.898 1.00 36.00 C ATOM 1097 NE2 HIS B 5 17.302 56.825 44.582 1.00 37.32 N ATOM 1098 N LYS B 6 15.921 57.112 40.675 1.00 35.19 N ATOM 1099 CA LYS B 6 17.030 56.438 40.029 1.00 34.89 C ATOM 1100 C LYS B 6 18.319 56.810 40.744 1.00 35.42 C ATOM 1101 O LYS B 6 18.553 57.972 41.064 1.00 33.52 O ATOM 1102 CB LYS B 6 17.101 56.794 38.551 1.00 33.76 C ATOM 1103 CG LYS B 6 16.223 55.900 37.705 1.00 37.16 C ATOM 1104 CD LYS B 6 16.121 56.455 36.289 1.00 41.93 C ATOM 1105 CE LYS B 6 14.883 55.942 35.549 1.00 44.11 C ATOM 1106 NZ LYS B 6 15.167 55.705 34.087 1.00 44.74 N ATOM 1107 N SER B 7 19.132 55.789 41.003 1.00 35.60 N ATOM 1108 CA SER B 7 20.407 55.919 41.693 1.00 36.93 C ATOM 1109 C SER B 7 21.501 55.112 40.994 1.00 37.75 C ATOM 1110 O SER B 7 21.363 53.910 40.779 1.00 36.06 O ATOM 1111 CB SER B 7 20.276 55.390 43.115 1.00 38.14 C ATOM 1112 OG SER B 7 20.004 56.428 44.030 1.00 42.66 O ATOM 1113 N SER B 8 22.593 55.783 40.657 1.00 38.27 N ATOM 1114 CA SER B 8 23.729 55.148 40.021 1.00 39.28 C ATOM 1115 C SER B 8 24.516 54.363 41.056 1.00 40.11 C ATOM 1116 O SER B 8 24.536 54.716 42.232 1.00 39.74 O ATOM 1117 CB SER B 8 24.658 56.207 39.438 1.00 39.64 C ATOM 1118 OG SER B 8 24.380 56.453 38.078 1.00 43.73 O ATOM 1119 N LEU B 9 25.149 53.287 40.615 1.00 42.94 N ATOM 1120 CA LEU B 9 26.008 52.492 41.483 1.00 46.96 C ATOM 1121 C LEU B 9 27.348 52.783 40.815 1.00 51.84 C ATOM 1122 O LEU B 9 27.729 52.124 39.841 1.00 53.07 O ATOM 1123 CB LEU B 9 25.657 51.013 41.391 1.00 43.61 C ATOM 1124 CG LEU B 9 24.320 50.658 42.026 1.00 42.24 C ATOM 1125 CD1 LEU B 9 23.767 49.413 41.364 1.00 41.39 C ATOM 1126 CD2 LEU B 9 24.507 50.465 43.518 1.00 43.57 C ATOM 1127 N PRO B 10 28.068 53.797 41.317 1.00 56.02 N ATOM 1128 CA PRO B 10 29.367 54.212 40.771 1.00 60.37 C ATOM 1129 C PRO B 10 30.395 53.108 40.562 1.00 62.97 C ATOM 1130 O PRO B 10 30.888 52.916 39.445 1.00 66.00 O ATOM 1131 CB PRO B 10 29.842 55.279 41.751 1.00 60.76 C ATOM 1132 CG PRO B 10 28.568 55.817 42.335 1.00 59.86 C ATOM 1133 CD PRO B 10 27.701 54.604 42.492 1.00 57.07 C ATOM 1134 N GLU B 11 30.737 52.388 41.626 1.00 63.37 N ATOM 1135 CA GLU B 11 31.696 51.301 41.489 1.00 63.90 C ATOM 1136 C GLU B 11 30.951 49.982 41.227 1.00 61.44 C ATOM 1137 O GLU B 11 31.487 48.896 41.448 1.00 61.73 O ATOM 1138 CB GLU B 11 32.564 51.204 42.750 1.00 67.79 C ATOM 1139 CG GLU B 11 34.053 50.877 42.479 1.00 74.63 C ATOM 1140 CD GLU B 11 34.784 51.931 41.628 1.00 78.05 C ATOM 1141 OE1 GLU B 11 34.680 51.880 40.374 1.00 80.23 O ATOM 1142 OE2 GLU B 11 35.470 52.803 42.216 1.00 78.42 O ATOM 1143 N GLY B 12 29.720 50.092 40.725 1.00 58.46 N ATOM 1144 CA GLY B 12 28.916 48.918 40.453 1.00 52.81 C ATOM 1145 C GLY B 12 28.686 48.222 41.776 1.00 50.18 C ATOM 1146 O GLY B 12 28.792 48.854 42.836 1.00 49.37 O ATOM 1147 N ILE B 13 28.363 46.931 41.731 1.00 46.96 N ATOM 1148 CA ILE B 13 28.150 46.186 42.958 1.00 45.26 C ATOM 1149 C ILE B 13 28.882 44.841 42.960 1.00 43.86 C ATOM 1150 O ILE B 13 29.104 44.233 41.914 1.00 43.35 O ATOM 1151 CB ILE B 13 26.616 46.027 43.264 1.00 45.12 C ATOM 1152 CG1 ILE B 13 26.172 44.583 43.175 1.00 46.08 C ATOM 1153 CG2 ILE B 13 25.791 46.831 42.300 1.00 47.25 C ATOM 1154 CD1 ILE B 13 24.749 44.435 43.616 1.00 47.14 C ATOM 1155 N ARG B 14 29.302 44.415 44.147 1.00 42.71 N ATOM 1156 CA ARG B 14 30.011 43.150 44.325 1.00 43.38 C ATOM 1157 C ARG B 14 29.577 42.534 45.651 1.00 40.19 C ATOM 1158 O ARG B 14 28.919 43.189 46.464 1.00 39.06 O ATOM 1159 CB ARG B 14 31.536 43.368 44.369 1.00 48.66 C ATOM 1160 CG ARG B 14 32.047 44.733 43.892 1.00 56.11 C ATOM 1161 CD ARG B 14 33.577 44.818 44.012 1.00 62.27 C ATOM 1162 NE ARG B 14 34.004 45.482 45.251 1.00 70.31 N ATOM 1163 CZ ARG B 14 34.802 44.943 46.182 1.00 73.92 C ATOM 1164 NH1 ARG B 14 35.283 43.707 46.036 1.00 76.37 N ATOM 1165 NH2 ARG B 14 35.128 45.643 47.269 1.00 74.10 N ATOM 1166 N PRO B 15 29.901 41.250 45.867 1.00 37.84 N ATOM 1167 CA PRO B 15 29.520 40.621 47.139 1.00 36.65 C ATOM 1168 C PRO B 15 29.985 41.524 48.278 1.00 35.42 C ATOM 1169 O PRO B 15 31.163 41.859 48.387 1.00 34.91 O ATOM 1170 CB PRO B 15 30.273 39.294 47.120 1.00 36.64 C ATOM 1171 CG PRO B 15 30.400 38.967 45.665 1.00 36.11 C ATOM 1172 CD PRO B 15 30.562 40.300 44.958 1.00 36.68 C ATOM 1173 N GLY B 16 29.060 41.943 49.119 1.00 32.73 N ATOM 1174 CA GLY B 16 29.466 42.810 50.193 1.00 32.85 C ATOM 1175 C GLY B 16 28.783 44.151 50.065 1.00 33.38 C ATOM 1176 O GLY B 16 28.842 44.964 50.981 1.00 33.03 O ATOM 1177 N THR B 17 28.145 44.385 48.920 1.00 33.69 N ATOM 1178 CA THR B 17 27.413 45.630 48.683 1.00 31.62 C ATOM 1179 C THR B 17 26.035 45.543 49.344 1.00 30.90 C ATOM 1180 O THR B 17 25.290 44.575 49.145 1.00 28.78 O ATOM 1181 CB THR B 17 27.210 45.884 47.192 1.00 32.07 C ATOM 1182 OG1 THR B 17 28.479 46.123 46.587 1.00 34.25 O ATOM 1183 CG2 THR B 17 26.321 47.095 46.974 1.00 30.74 C ATOM 1184 N VAL B 18 25.697 46.556 50.128 1.00 28.89 N ATOM 1185 CA VAL B 18 24.428 46.556 50.821 1.00 28.14 C ATOM 1186 C VAL B 18 23.601 47.756 50.406 1.00 28.75 C ATOM 1187 O VAL B 18 24.077 48.897 50.399 1.00 27.12 O ATOM 1188 CB VAL B 18 24.634 46.583 52.367 1.00 28.21 C ATOM 1189 CG1 VAL B 18 23.290 46.656 53.074 1.00 26.58 C ATOM 1190 CG2 VAL B 18 25.403 45.340 52.823 1.00 25.38 C ATOM 1191 N LEU B 19 22.352 47.486 50.043 1.00 29.41 N ATOM 1192 CA LEU B 19 21.430 48.537 49.644 1.00 28.01 C ATOM 1193 C LEU B 19 20.450 48.702 50.783 1.00 27.05 C ATOM 1194 O LEU B 19 19.839 47.724 51.215 1.00 26.30 O ATOM 1195 CB LEU B 19 20.676 48.121 48.381 1.00 31.41 C ATOM 1196 CG LEU B 19 20.989 48.909 47.120 1.00 35.15 C ATOM 1197 CD1 LEU B 19 22.392 48.579 46.622 1.00 37.14 C ATOM 1198 CD2 LEU B 19 19.958 48.570 46.082 1.00 38.38 C ATOM 1199 N ARG B 20 20.310 49.911 51.307 1.00 26.64 N ATOM 1200 CA ARG B 20 19.333 50.087 52.371 1.00 28.88 C ATOM 1201 C ARG B 20 18.260 51.059 51.932 1.00 30.06 C ATOM 1202 O ARG B 20 18.525 52.237 51.728 1.00 30.50 O ATOM 1203 CB ARG B 20 19.965 50.589 53.659 1.00 28.44 C ATOM 1204 CG ARG B 20 19.029 50.445 54.826 1.00 32.62 C ATOM 1205 CD ARG B 20 19.493 51.249 55.996 1.00 37.24 C ATOM 1206 NE ARG B 20 19.688 52.654 55.660 1.00 42.42 N ATOM 1207 CZ ARG B 20 20.458 53.475 56.370 1.00 45.82 C ATOM 1208 NH1 ARG B 20 21.100 53.021 57.450 1.00 47.84 N ATOM 1209 NH2 ARG B 20 20.597 54.740 55.998 1.00 44.91 N ATOM 1210 N ILE B 21 17.049 50.544 51.769 1.00 31.19 N ATOM 1211 CA ILE B 21 15.924 51.354 51.345 1.00 33.95 C ATOM 1212 C ILE B 21 14.963 51.535 52.502 1.00 35.12 C ATOM 1213 O ILE B 21 14.552 50.576 53.156 1.00 34.51 O ATOM 1214 CB ILE B 21 15.173 50.704 50.179 1.00 34.36 C ATOM 1215 CG1 ILE B 21 16.133 50.523 48.997 1.00 35.11 C ATOM 1216 CG2 ILE B 21 13.969 51.560 49.794 1.00 34.71 C ATOM 1217 CD1 ILE B 21 16.208 49.093 48.505 1.00 37.97 C ATOM 1218 N ARG B 22 14.621 52.786 52.756 1.00 36.87 N ATOM 1219 CA ARG B 22 13.713 53.123 53.829 1.00 38.04 C ATOM 1220 C ARG B 22 12.574 53.852 53.174 1.00 39.00 C ATOM 1221 O ARG B 22 12.792 54.654 52.272 1.00 38.80 O ATOM 1222 CB ARG B 22 14.411 54.025 54.840 1.00 38.31 C ATOM 1223 CG ARG B 22 15.355 53.272 55.748 1.00 39.28 C ATOM 1224 CD ARG B 22 15.815 54.121 56.921 1.00 42.89 C ATOM 1225 NE ARG B 22 16.912 53.468 57.627 1.00 46.22 N ATOM 1226 CZ ARG B 22 17.796 54.096 58.397 1.00 48.98 C ATOM 1227 NH1 ARG B 22 17.712 55.409 58.565 1.00 48.98 N ATOM 1228 NH2 ARG B 22 18.771 53.409 58.990 1.00 49.30 N ATOM 1229 N GLY B 23 11.358 53.559 53.615 1.00 40.74 N ATOM 1230 CA GLY B 23 10.205 54.212 53.037 1.00 43.02 C ATOM 1231 C GLY B 23 8.960 53.938 53.840 1.00 44.96 C ATOM 1232 O GLY B 23 9.036 53.411 54.949 1.00 44.83 O ATOM 1233 N LEU B 24 7.815 54.309 53.281 1.00 47.54 N ATOM 1234 CA LEU B 24 6.533 54.098 53.936 1.00 50.01 C ATOM 1235 C LEU B 24 5.541 53.734 52.854 1.00 51.16 C ATOM 1236 O LEU B 24 5.511 54.372 51.796 1.00 51.20 O ATOM 1237 CB LEU B 24 6.070 55.370 54.648 1.00 52.17 C ATOM 1238 CG LEU B 24 4.557 55.450 54.898 1.00 54.19 C ATOM 1239 CD1 LEU B 24 4.254 55.063 56.341 1.00 54.52 C ATOM 1240 CD2 LEU B 24 4.045 56.853 54.588 1.00 53.64 C ATOM 1241 N VAL B 25 4.738 52.706 53.119 1.00 52.30 N ATOM 1242 CA VAL B 25 3.743 52.254 52.163 1.00 53.90 C ATOM 1243 C VAL B 25 2.473 53.106 52.260 1.00 56.94 C ATOM 1244 O VAL B 25 1.781 53.091 53.279 1.00 58.33 O ATOM 1245 CB VAL B 25 3.377 50.776 52.410 1.00 52.75 C ATOM 1246 CG1 VAL B 25 2.506 50.260 51.287 1.00 51.48 C ATOM 1247 CG2 VAL B 25 4.628 49.946 52.521 1.00 52.64 C ATOM 1248 N PRO B 26 2.167 53.889 51.207 1.00 58.78 N ATOM 1249 CA PRO B 26 0.961 54.734 51.213 1.00 59.67 C ATOM 1250 C PRO B 26 -0.313 53.930 51.532 1.00 60.13 C ATOM 1251 O PRO B 26 -0.457 52.784 51.090 1.00 60.15 O ATOM 1252 CB PRO B 26 0.930 55.322 49.797 1.00 60.15 C ATOM 1253 CG PRO B 26 2.358 55.305 49.353 1.00 59.75 C ATOM 1254 CD PRO B 26 2.947 54.055 49.968 1.00 59.24 C ATOM 1255 N PRO B 27 -1.260 54.534 52.284 1.00 60.07 N ATOM 1256 CA PRO B 27 -2.527 53.908 52.684 1.00 58.87 C ATOM 1257 C PRO B 27 -3.255 53.102 51.610 1.00 59.92 C ATOM 1258 O PRO B 27 -3.656 51.957 51.853 1.00 59.58 O ATOM 1259 CB PRO B 27 -3.352 55.082 53.168 1.00 58.29 C ATOM 1260 CG PRO B 27 -2.348 56.026 53.695 1.00 58.02 C ATOM 1261 CD PRO B 27 -1.159 55.911 52.799 1.00 59.24 C ATOM 1262 N ASN B 28 -3.429 53.688 50.428 1.00 60.82 N ATOM 1263 CA ASN B 28 -4.116 52.989 49.338 1.00 62.47 C ATOM 1264 C ASN B 28 -3.145 52.373 48.332 1.00 61.67 C ATOM 1265 O ASN B 28 -3.479 52.182 47.157 1.00 62.06 O ATOM 1266 CB ASN B 28 -5.091 53.937 48.614 1.00 65.43 C ATOM 1267 CG ASN B 28 -4.398 55.136 47.982 1.00 68.42 C ATOM 1268 OD1 ASN B 28 -3.417 55.664 48.521 1.00 71.17 O ATOM 1269 ND2 ASN B 28 -4.913 55.579 46.831 1.00 68.20 N ATOM 1270 N ALA B 29 -1.944 52.047 48.805 1.00 59.93 N ATOM 1271 CA ALA B 29 -0.925 51.459 47.951 1.00 56.67 C ATOM 1272 C ALA B 29 -1.402 50.153 47.310 1.00 54.70 C ATOM 1273 O ALA B 29 -2.032 49.316 47.956 1.00 54.67 O ATOM 1274 CB ALA B 29 0.352 51.220 48.754 1.00 56.01 C ATOM 1275 N SER B 30 -1.109 50.001 46.025 1.00 51.52 N ATOM 1276 CA SER B 30 -1.467 48.806 45.299 1.00 49.35 C ATOM 1277 C SER B 30 -0.229 47.904 45.309 1.00 48.68 C ATOM 1278 O SER B 30 -0.282 46.745 45.722 1.00 47.95 O ATOM 1279 CB SER B 30 -1.849 49.172 43.871 1.00 50.71 C ATOM 1280 OG SER B 30 -2.000 48.011 43.072 1.00 54.02 O ATOM 1281 N ARG B 31 0.896 48.452 44.871 1.00 46.50 N ATOM 1282 CA ARG B 31 2.135 47.697 44.836 1.00 45.35 C ATOM 1283 C ARG B 31 3.298 48.617 44.490 1.00 44.43 C ATOM 1284 O ARG B 31 3.093 49.735 44.024 1.00 42.47 O ATOM 1285 CB ARG B 31 2.030 46.607 43.783 1.00 44.27 C ATOM 1286 CG ARG B 31 1.734 47.164 42.419 1.00 47.22 C ATOM 1287 CD ARG B 31 1.480 46.053 41.431 1.00 50.96 C ATOM 1288 NE ARG B 31 0.289 45.294 41.794 1.00 53.56 N ATOM 1289 CZ ARG B 31 -0.306 44.416 40.992 1.00 56.13 C ATOM 1290 NH1 ARG B 31 0.179 44.180 39.772 1.00 55.16 N ATOM 1291 NH2 ARG B 31 -1.391 43.778 41.412 1.00 57.22 N ATOM 1292 N PHE B 32 4.520 48.152 44.743 1.00 43.25 N ATOM 1293 CA PHE B 32 5.702 48.924 44.388 1.00 41.52 C ATOM 1294 C PHE B 32 6.867 47.996 44.033 1.00 40.76 C ATOM 1295 O PHE B 32 6.781 46.776 44.205 1.00 39.22 O ATOM 1296 CB PHE B 32 6.063 49.925 45.498 1.00 41.49 C ATOM 1297 CG PHE B 32 6.636 49.309 46.736 1.00 43.15 C ATOM 1298 CD1 PHE B 32 5.812 48.936 47.789 1.00 44.01 C ATOM 1299 CD2 PHE B 32 8.008 49.167 46.882 1.00 44.33 C ATOM 1300 CE1 PHE B 32 6.349 48.437 48.974 1.00 44.29 C ATOM 1301 CE2 PHE B 32 8.553 48.668 48.060 1.00 43.95 C ATOM 1302 CZ PHE B 32 7.718 48.305 49.108 1.00 45.20 C ATOM 1303 N HIS B 33 7.951 48.557 43.511 1.00 38.69 N ATOM 1304 CA HIS B 33 9.068 47.711 43.125 1.00 37.21 C ATOM 1305 C HIS B 33 10.462 48.328 43.262 1.00 34.50 C ATOM 1306 O HIS B 33 10.620 49.549 43.266 1.00 32.65 O ATOM 1307 CB HIS B 33 8.864 47.251 41.673 1.00 36.69 C ATOM 1308 CG HIS B 33 8.996 48.357 40.676 1.00 37.41 C ATOM 1309 ND1 HIS B 33 7.988 49.264 40.437 1.00 37.45 N ATOM 1310 CD2 HIS B 33 10.042 48.738 39.902 1.00 37.99 C ATOM 1311 CE1 HIS B 33 8.409 50.160 39.560 1.00 37.70 C ATOM 1312 NE2 HIS B 33 9.651 49.863 39.219 1.00 37.25 N ATOM 1313 N VAL B 34 11.461 47.454 43.399 1.00 32.34 N ATOM 1314 CA VAL B 34 12.858 47.865 43.451 1.00 29.56 C ATOM 1315 C VAL B 34 13.516 47.064 42.345 1.00 29.97 C ATOM 1316 O VAL B 34 13.441 45.825 42.348 1.00 28.95 O ATOM 1317 CB VAL B 34 13.559 47.512 44.768 1.00 28.99 C ATOM 1318 CG1 VAL B 34 15.023 47.961 44.700 1.00 23.84 C ATOM 1319 CG2 VAL B 34 12.856 48.194 45.927 1.00 28.19 C ATOM 1320 N ASN B 35 14.132 47.766 41.393 1.00 27.48 N ATOM 1321 CA ASN B 35 14.797 47.118 40.281 1.00 27.41 C ATOM 1322 C ASN B 35 16.278 47.355 40.293 1.00 28.07 C ATOM 1323 O ASN B 35 16.717 48.480 40.524 1.00 28.75 O ATOM 1324 CB ASN B 35 14.288 47.652 38.932 1.00 28.88 C ATOM 1325 CG ASN B 35 12.914 47.112 38.552 1.00 32.51 C ATOM 1326 OD1 ASN B 35 12.440 46.112 39.106 1.00 34.89 O ATOM 1327 ND2 ASN B 35 12.264 47.781 37.605 1.00 31.99 N ATOM 1328 N LEU B 36 17.052 46.300 40.042 1.00 27.88 N ATOM 1329 CA LEU B 36 18.494 46.454 39.900 1.00 30.29 C ATOM 1330 C LEU B 36 18.655 46.239 38.388 1.00 32.47 C ATOM 1331 O LEU B 36 18.453 45.125 37.888 1.00 32.22 O ATOM 1332 CB LEU B 36 19.250 45.397 40.691 1.00 29.47 C ATOM 1333 CG LEU B 36 19.120 45.482 42.217 1.00 31.46 C ATOM 1334 CD1 LEU B 36 20.153 44.574 42.832 1.00 29.82 C ATOM 1335 CD2 LEU B 36 19.309 46.910 42.718 1.00 31.08 C ATOM 1336 N LEU B 37 18.964 47.320 37.669 1.00 32.92 N ATOM 1337 CA LEU B 37 19.093 47.288 36.217 1.00 33.65 C ATOM 1338 C LEU B 37 20.518 47.324 35.713 1.00 35.48 C ATOM 1339 O LEU B 37 21.434 47.767 36.423 1.00 35.75 O ATOM 1340 CB LEU B 37 18.311 48.447 35.614 1.00 31.87 C ATOM 1341 CG LEU B 37 16.875 48.414 36.122 1.00 34.41 C ATOM 1342 CD1 LEU B 37 16.267 49.788 36.027 1.00 32.07 C ATOM 1343 CD2 LEU B 37 16.086 47.400 35.325 1.00 32.84 C ATOM 1344 N CYS B 38 20.694 46.894 34.464 1.00 36.28 N ATOM 1345 CA CYS B 38 22.018 46.819 33.855 1.00 39.78 C ATOM 1346 C CYS B 38 22.384 47.931 32.884 1.00 41.11 C ATOM 1347 O CYS B 38 23.422 47.863 32.219 1.00 41.93 O ATOM 1348 CB CYS B 38 22.176 45.470 33.154 1.00 40.00 C ATOM 1349 SG CYS B 38 21.666 44.058 34.184 1.00 44.55 S ATOM 1350 N GLY B 39 21.545 48.954 32.807 1.00 41.70 N ATOM 1351 CA GLY B 39 21.822 50.051 31.905 1.00 44.72 C ATOM 1352 C GLY B 39 20.783 51.121 32.123 1.00 48.11 C ATOM 1353 O GLY B 39 19.761 50.861 32.762 1.00 47.49 O ATOM 1354 N GLU B 40 21.020 52.315 31.589 1.00 51.04 N ATOM 1355 CA GLU B 40 20.075 53.405 31.769 1.00 55.20 C ATOM 1356 C GLU B 40 18.990 53.491 30.712 1.00 56.54 C ATOM 1357 O GLU B 40 18.132 54.360 30.786 1.00 56.52 O ATOM 1358 CB GLU B 40 20.817 54.723 31.829 1.00 55.86 C ATOM 1359 CG GLU B 40 21.761 54.799 32.984 1.00 61.50 C ATOM 1360 CD GLU B 40 22.168 56.218 33.270 1.00 65.88 C ATOM 1361 OE1 GLU B 40 21.294 57.109 33.177 1.00 68.14 O ATOM 1362 OE2 GLU B 40 23.359 56.446 33.584 1.00 68.92 O ATOM 1363 N GLU B 41 19.023 52.584 29.742 1.00 59.81 N ATOM 1364 CA GLU B 41 18.037 52.571 28.662 1.00 63.50 C ATOM 1365 C GLU B 41 16.699 51.965 29.090 1.00 63.41 C ATOM 1366 O GLU B 41 16.661 50.976 29.823 1.00 63.66 O ATOM 1367 CB GLU B 41 18.573 51.786 27.444 1.00 66.29 C ATOM 1368 CG GLU B 41 20.067 51.961 27.148 1.00 70.99 C ATOM 1369 CD GLU B 41 20.956 50.878 27.778 1.00 74.09 C ATOM 1370 OE1 GLU B 41 20.446 50.037 28.558 1.00 75.28 O ATOM 1371 OE2 GLU B 41 22.177 50.873 27.488 1.00 75.56 O ATOM 1372 N GLN B 42 15.603 52.568 28.628 1.00 63.97 N ATOM 1373 CA GLN B 42 14.266 52.065 28.931 1.00 63.86 C ATOM 1374 C GLN B 42 14.277 50.625 28.425 1.00 62.18 C ATOM 1375 O GLN B 42 14.663 50.366 27.280 1.00 59.38 O ATOM 1376 CB GLN B 42 13.202 52.875 28.170 1.00 67.33 C ATOM 1377 CG GLN B 42 12.086 53.504 29.033 1.00 71.49 C ATOM 1378 CD GLN B 42 11.462 54.785 28.411 1.00 74.67 C ATOM 1379 OE1 GLN B 42 11.399 54.951 27.180 1.00 75.43 O ATOM 1380 NE2 GLN B 42 10.997 55.689 29.276 1.00 75.03 N ATOM 1381 N GLY B 43 13.887 49.692 29.288 1.00 61.20 N ATOM 1382 CA GLY B 43 13.863 48.295 28.897 1.00 60.20 C ATOM 1383 C GLY B 43 15.169 47.532 29.066 1.00 59.58 C ATOM 1384 O GLY B 43 15.377 46.494 28.426 1.00 60.73 O ATOM 1385 N SER B 44 16.063 48.032 29.915 1.00 57.19 N ATOM 1386 CA SER B 44 17.329 47.347 30.153 1.00 53.57 C ATOM 1387 C SER B 44 17.028 46.050 30.895 1.00 50.91 C ATOM 1388 O SER B 44 15.913 45.843 31.369 1.00 50.01 O ATOM 1389 CB SER B 44 18.246 48.219 31.011 1.00 53.80 C ATOM 1390 OG SER B 44 18.919 49.169 30.213 1.00 55.03 O ATOM 1391 N ASP B 45 18.008 45.166 30.996 1.00 49.48 N ATOM 1392 CA ASP B 45 17.780 43.929 31.734 1.00 49.43 C ATOM 1393 C ASP B 45 17.664 44.282 33.223 1.00 47.98 C ATOM 1394 O ASP B 45 18.210 45.292 33.672 1.00 48.87 O ATOM 1395 CB ASP B 45 18.948 42.952 31.548 1.00 50.51 C ATOM 1396 CG ASP B 45 19.119 42.511 30.113 1.00 52.59 C ATOM 1397 OD1 ASP B 45 18.103 42.486 29.371 1.00 51.72 O ATOM 1398 OD2 ASP B 45 20.272 42.195 29.735 1.00 52.14 O ATOM 1399 N ALA B 46 16.946 43.456 33.978 1.00 45.16 N ATOM 1400 CA ALA B 46 16.784 43.656 35.414 1.00 42.87 C ATOM 1401 C ALA B 46 17.402 42.455 36.123 1.00 43.46 C ATOM 1402 O ALA B 46 16.859 41.343 36.043 1.00 43.16 O ATOM 1403 CB ALA B 46 15.321 43.752 35.766 1.00 42.34 C ATOM 1404 N ALA B 47 18.532 42.669 36.804 1.00 41.71 N ATOM 1405 CA ALA B 47 19.211 41.585 37.522 1.00 38.41 C ATOM 1406 C ALA B 47 18.277 41.078 38.600 1.00 37.30 C ATOM 1407 O ALA B 47 18.251 39.882 38.934 1.00 36.69 O ATOM 1408 CB ALA B 47 20.489 42.096 38.152 1.00 36.75 C ATOM 1409 N LEU B 48 17.495 42.011 39.128 1.00 36.57 N ATOM 1410 CA LEU B 48 16.563 41.717 40.192 1.00 34.93 C ATOM 1411 C LEU B 48 15.399 42.654 40.082 1.00 33.51 C ATOM 1412 O LEU B 48 15.591 43.844 39.855 1.00 32.75 O ATOM 1413 CB LEU B 48 17.242 41.922 41.553 1.00 34.91 C ATOM 1414 CG LEU B 48 16.371 41.846 42.801 1.00 35.09 C ATOM 1415 CD1 LEU B 48 15.990 40.399 43.070 1.00 35.08 C ATOM 1416 CD2 LEU B 48 17.135 42.444 43.973 1.00 35.82 C ATOM 1417 N HIS B 49 14.204 42.085 40.221 1.00 32.93 N ATOM 1418 CA HIS B 49 12.938 42.806 40.213 1.00 34.15 C ATOM 1419 C HIS B 49 12.254 42.305 41.486 1.00 34.50 C ATOM 1420 O HIS B 49 11.841 41.143 41.575 1.00 33.89 O ATOM 1421 CB HIS B 49 12.092 42.455 38.979 1.00 34.71 C ATOM 1422 CG HIS B 49 10.697 43.005 39.033 1.00 35.85 C ATOM 1423 ND1 HIS B 49 10.428 44.355 39.058 1.00 35.34 N ATOM 1424 CD2 HIS B 49 9.496 42.383 39.112 1.00 37.80 C ATOM 1425 CE1 HIS B 49 9.123 44.543 39.152 1.00 36.60 C ATOM 1426 NE2 HIS B 49 8.534 43.362 39.185 1.00 37.18 N ATOM 1427 N PHE B 50 12.182 43.180 42.479 1.00 33.57 N ATOM 1428 CA PHE B 50 11.595 42.861 43.777 1.00 35.46 C ATOM 1429 C PHE B 50 10.319 43.670 43.787 1.00 36.31 C ATOM 1430 O PHE B 50 10.343 44.900 43.791 1.00 33.19 O ATOM 1431 CB PHE B 50 12.577 43.292 44.880 1.00 35.80 C ATOM 1432 CG PHE B 50 12.032 43.197 46.282 1.00 35.00 C ATOM 1433 CD1 PHE B 50 11.767 41.972 46.862 1.00 34.71 C ATOM 1434 CD2 PHE B 50 11.803 44.350 47.027 1.00 35.84 C ATOM 1435 CE1 PHE B 50 11.280 41.889 48.165 1.00 35.73 C ATOM 1436 CE2 PHE B 50 11.315 44.275 48.328 1.00 36.77 C ATOM 1437 CZ PHE B 50 11.054 43.038 48.896 1.00 33.93 C ATOM 1438 N ASN B 51 9.196 42.967 43.798 1.00 40.08 N ATOM 1439 CA ASN B 51 7.905 43.630 43.683 1.00 41.25 C ATOM 1440 C ASN B 51 6.805 43.213 44.673 1.00 42.29 C ATOM 1441 O ASN B 51 6.021 42.306 44.398 1.00 42.82 O ATOM 1442 CB ASN B 51 7.469 43.439 42.214 1.00 41.08 C ATOM 1443 CG ASN B 51 6.018 43.770 41.961 1.00 41.34 C ATOM 1444 OD1 ASN B 51 5.347 43.070 41.201 1.00 40.13 O ATOM 1445 ND2 ASN B 51 5.528 44.841 42.573 1.00 38.57 N ATOM 1446 N PRO B 52 6.758 43.857 45.856 1.00 42.81 N ATOM 1447 CA PRO B 52 5.734 43.539 46.857 1.00 44.07 C ATOM 1448 C PRO B 52 4.359 44.025 46.373 1.00 45.78 C ATOM 1449 O PRO B 52 4.196 45.186 45.962 1.00 44.96 O ATOM 1450 CB PRO B 52 6.187 44.298 48.111 1.00 43.74 C ATOM 1451 CG PRO B 52 7.577 44.728 47.836 1.00 42.65 C ATOM 1452 CD PRO B 52 7.685 44.882 46.352 1.00 42.47 C ATOM 1453 N ARG B 53 3.372 43.132 46.415 1.00 46.91 N ATOM 1454 CA ARG B 53 2.019 43.475 45.978 1.00 47.33 C ATOM 1455 C ARG B 53 1.024 43.388 47.121 1.00 48.21 C ATOM 1456 O ARG B 53 0.667 42.304 47.565 1.00 48.14 O ATOM 1457 CB ARG B 53 1.570 42.556 44.847 1.00 44.36 C ATOM 1458 CG ARG B 53 2.263 42.822 43.534 1.00 41.55 C ATOM 1459 CD ARG B 53 2.229 41.590 42.687 1.00 40.53 C ATOM 1460 NE ARG B 53 3.106 41.691 41.532 1.00 41.56 N ATOM 1461 CZ ARG B 53 3.209 40.753 40.594 1.00 44.78 C ATOM 1462 NH1 ARG B 53 2.484 39.641 40.675 1.00 45.13 N ATOM 1463 NH2 ARG B 53 4.042 40.915 39.569 1.00 46.18 N ATOM 1464 N LEU B 54 0.588 44.543 47.599 1.00 49.83 N ATOM 1465 CA LEU B 54 -0.369 44.585 48.681 1.00 52.83 C ATOM 1466 C LEU B 54 -1.729 44.060 48.231 1.00 55.87 C ATOM 1467 O LEU B 54 -2.387 43.330 48.974 1.00 57.29 O ATOM 1468 CB LEU B 54 -0.503 46.012 49.185 1.00 52.05 C ATOM 1469 CG LEU B 54 0.801 46.497 49.794 1.00 53.86 C ATOM 1470 CD1 LEU B 54 0.676 47.946 50.199 1.00 56.28 C ATOM 1471 CD2 LEU B 54 1.128 45.640 51.002 1.00 54.62 C ATOM 1472 N ASP B 55 -2.136 44.405 47.006 1.00 58.54 N ATOM 1473 CA ASP B 55 -3.436 43.967 46.491 1.00 59.11 C ATOM 1474 C ASP B 55 -3.577 42.460 46.283 1.00 60.12 C ATOM 1475 O ASP B 55 -4.636 41.908 46.588 1.00 62.03 O ATOM 1476 CB ASP B 55 -3.842 44.726 45.206 1.00 57.03 C ATOM 1477 CG ASP B 55 -2.770 44.732 44.136 1.00 56.36 C ATOM 1478 OD1 ASP B 55 -1.723 44.061 44.288 1.00 54.92 O ATOM 1479 OD2 ASP B 55 -3.001 45.428 43.125 1.00 55.85 O ATOM 1480 N THR B 56 -2.540 41.789 45.775 1.00 59.76 N ATOM 1481 CA THR B 56 -2.618 40.332 45.599 1.00 59.43 C ATOM 1482 C THR B 56 -1.967 39.671 46.813 1.00 60.08 C ATOM 1483 O THR B 56 -1.874 38.445 46.897 1.00 59.49 O ATOM 1484 CB THR B 56 -1.879 39.850 44.340 1.00 57.41 C ATOM 1485 OG1 THR B 56 -0.736 40.674 44.121 1.00 56.73 O ATOM 1486 CG2 THR B 56 -2.786 39.918 43.123 1.00 58.05 C ATOM 1487 N SER B 57 -1.530 40.517 47.747 1.00 60.81 N ATOM 1488 CA SER B 57 -0.853 40.099 48.974 1.00 60.69 C ATOM 1489 C SER B 57 0.187 39.005 48.704 1.00 60.63 C ATOM 1490 O SER B 57 0.049 37.873 49.168 1.00 61.91 O ATOM 1491 CB SER B 57 -1.882 39.643 50.017 1.00 60.45 C ATOM 1492 OG SER B 57 -2.258 40.740 50.847 1.00 59.00 O ATOM 1493 N GLU B 58 1.227 39.373 47.951 1.00 59.53 N ATOM 1494 CA GLU B 58 2.329 38.482 47.576 1.00 57.83 C ATOM 1495 C GLU B 58 3.536 39.306 47.073 1.00 55.71 C ATOM 1496 O GLU B 58 3.374 40.364 46.460 1.00 56.51 O ATOM 1497 CB GLU B 58 1.871 37.496 46.485 1.00 57.63 C ATOM 1498 CG GLU B 58 2.248 37.897 45.063 1.00 60.04 C ATOM 1499 CD GLU B 58 1.174 37.547 44.061 1.00 60.22 C ATOM 1500 OE1 GLU B 58 0.674 36.409 44.120 1.00 60.88 O ATOM 1501 OE2 GLU B 58 0.827 38.402 43.219 1.00 61.56 O ATOM 1502 N VAL B 59 4.743 38.818 47.331 1.00 52.44 N ATOM 1503 CA VAL B 59 5.948 39.521 46.906 1.00 48.66 C ATOM 1504 C VAL B 59 6.634 38.727 45.802 1.00 47.03 C ATOM 1505 O VAL B 59 7.065 37.599 46.016 1.00 47.97 O ATOM 1506 CB VAL B 59 6.908 39.712 48.105 1.00 47.84 C ATOM 1507 CG1 VAL B 59 8.165 40.450 47.659 1.00 45.03 C ATOM 1508 CG2 VAL B 59 6.177 40.461 49.242 1.00 44.62 C ATOM 1509 N VAL B 60 6.731 39.306 44.615 1.00 44.53 N ATOM 1510 CA VAL B 60 7.349 38.595 43.508 1.00 42.48 C ATOM 1511 C VAL B 60 8.801 38.992 43.241 1.00 40.85 C ATOM 1512 O VAL B 60 9.156 40.162 43.296 1.00 40.51 O ATOM 1513 CB VAL B 60 6.514 38.789 42.208 1.00 42.55 C ATOM 1514 CG1 VAL B 60 7.158 38.057 41.034 1.00 43.16 C ATOM 1515 CG2 VAL B 60 5.103 38.280 42.428 1.00 42.54 C ATOM 1516 N PHE B 61 9.636 37.997 42.967 1.00 39.45 N ATOM 1517 CA PHE B 61 11.040 38.215 42.648 1.00 39.38 C ATOM 1518 C PHE B 61 11.158 37.743 41.214 1.00 40.32 C ATOM 1519 O PHE B 61 10.487 36.790 40.826 1.00 41.56 O ATOM 1520 CB PHE B 61 11.955 37.359 43.531 1.00 39.19 C ATOM 1521 CG PHE B 61 12.067 37.840 44.952 1.00 37.86 C ATOM 1522 CD1 PHE B 61 11.070 37.562 45.877 1.00 36.56 C ATOM 1523 CD2 PHE B 61 13.188 38.547 45.373 1.00 36.03 C ATOM 1524 CE1 PHE B 61 11.190 37.981 47.202 1.00 37.44 C ATOM 1525 CE2 PHE B 61 13.317 38.969 46.701 1.00 34.57 C ATOM 1526 CZ PHE B 61 12.324 38.688 47.614 1.00 35.75 C ATOM 1527 N ASN B 62 11.992 38.401 40.419 1.00 40.54 N ATOM 1528 CA ASN B 62 12.148 37.998 39.029 1.00 39.60 C ATOM 1529 C ASN B 62 13.244 38.792 38.352 1.00 40.14 C ATOM 1530 O ASN B 62 13.659 39.838 38.842 1.00 39.52 O ATOM 1531 CB ASN B 62 10.826 38.206 38.277 1.00 39.94 C ATOM 1532 CG ASN B 62 10.631 37.215 37.143 1.00 41.67 C ATOM 1533 OD1 ASN B 62 11.573 36.531 36.727 1.00 42.99 O ATOM 1534 ND2 ASN B 62 9.405 37.128 36.639 1.00 40.64 N ATOM 1535 N SER B 63 13.726 38.274 37.232 1.00 41.95 N ATOM 1536 CA SER B 63 14.730 38.975 36.452 1.00 45.17 C ATOM 1537 C SER B 63 14.112 39.190 35.056 1.00 47.10 C ATOM 1538 O SER B 63 13.100 38.585 34.728 1.00 45.68 O ATOM 1539 CB SER B 63 16.042 38.172 36.376 1.00 45.87 C ATOM 1540 OG SER B 63 15.957 37.052 35.516 1.00 50.14 O ATOM 1541 N LYS B 64 14.691 40.087 34.265 1.00 49.79 N ATOM 1542 CA LYS B 64 14.190 40.377 32.925 1.00 53.38 C ATOM 1543 C LYS B 64 15.391 40.447 31.994 1.00 55.21 C ATOM 1544 O LYS B 64 16.150 41.413 32.015 1.00 54.62 O ATOM 1545 CB LYS B 64 13.438 41.697 32.911 1.00 53.91 C ATOM 1546 CG LYS B 64 12.769 42.025 31.592 1.00 56.27 C ATOM 1547 CD LYS B 64 12.717 43.531 31.340 1.00 58.04 C ATOM 1548 CE LYS B 64 11.282 44.065 31.297 1.00 57.82 C ATOM 1549 NZ LYS B 64 11.184 45.339 30.518 1.00 58.93 N ATOM 1550 N GLU B 65 15.548 39.413 31.170 1.00 58.46 N ATOM 1551 CA GLU B 65 16.697 39.309 30.277 1.00 61.84 C ATOM 1552 C GLU B 65 16.328 39.439 28.795 1.00 62.82 C ATOM 1553 O GLU B 65 15.469 38.722 28.276 1.00 63.83 O ATOM 1554 CB GLU B 65 17.417 37.991 30.574 1.00 63.39 C ATOM 1555 CG GLU B 65 18.427 37.561 29.562 1.00 68.76 C ATOM 1556 CD GLU B 65 19.834 37.445 30.137 1.00 71.42 C ATOM 1557 OE1 GLU B 65 20.081 36.503 30.927 1.00 71.84 O ATOM 1558 OE2 GLU B 65 20.689 38.302 29.807 1.00 73.35 O ATOM 1559 N GLN B 66 16.988 40.385 28.137 1.00 63.47 N ATOM 1560 CA GLN B 66 16.775 40.662 26.724 1.00 63.51 C ATOM 1561 C GLN B 66 15.331 40.943 26.341 1.00 62.85 C ATOM 1562 O GLN B 66 14.838 40.464 25.336 1.00 63.67 O ATOM 1563 CB GLN B 66 17.300 39.521 25.865 1.00 64.65 C ATOM 1564 CG GLN B 66 17.889 40.001 24.545 1.00 69.08 C ATOM 1565 CD GLN B 66 19.319 39.518 24.324 1.00 71.97 C ATOM 1566 OE1 GLN B 66 19.721 38.470 24.849 1.00 74.31 O ATOM 1567 NE2 GLN B 66 20.093 40.277 23.545 1.00 71.20 N ATOM 1568 N GLY B 67 14.650 41.730 27.154 1.00 62.79 N ATOM 1569 CA GLY B 67 13.267 42.071 26.878 1.00 60.76 C ATOM 1570 C GLY B 67 12.161 41.261 27.556 1.00 61.13 C ATOM 1571 O GLY B 67 11.085 41.810 27.846 1.00 60.52 O ATOM 1572 N SER B 68 12.416 39.978 27.818 1.00 60.80 N ATOM 1573 CA SER B 68 11.412 39.128 28.445 1.00 60.80 C ATOM 1574 C SER B 68 11.734 38.684 29.873 1.00 60.38 C ATOM 1575 O SER B 68 12.900 38.481 30.235 1.00 59.42 O ATOM 1576 CB SER B 68 11.152 37.899 27.570 1.00 61.61 C ATOM 1577 OG SER B 68 12.333 37.120 27.409 1.00 64.33 O ATOM 1578 N TRP B 69 10.677 38.526 30.674 1.00 59.84 N ATOM 1579 CA TRP B 69 10.802 38.107 32.076 1.00 59.27 C ATOM 1580 C TRP B 69 11.307 36.664 32.191 1.00 57.41 C ATOM 1581 O TRP B 69 11.587 36.012 31.182 1.00 57.96 O ATOM 1582 CB TRP B 69 9.459 38.236 32.803 1.00 61.05 C ATOM 1583 CG TRP B 69 8.948 39.658 32.976 1.00 65.30 C ATOM 1584 CD1 TRP B 69 7.944 40.261 32.263 1.00 65.76 C ATOM 1585 CD2 TRP B 69 9.365 40.620 33.967 1.00 68.08 C ATOM 1586 NE1 TRP B 69 7.705 41.529 32.748 1.00 67.99 N ATOM 1587 CE2 TRP B 69 8.560 41.779 33.792 1.00 68.82 C ATOM 1588 CE3 TRP B 69 10.336 40.618 34.985 1.00 67.53 C ATOM 1589 CZ2 TRP B 69 8.699 42.925 34.600 1.00 67.50 C ATOM 1590 CZ3 TRP B 69 10.472 41.757 35.785 1.00 66.50 C ATOM 1591 CH2 TRP B 69 9.656 42.893 35.585 1.00 66.35 C ATOM 1592 N GLY B 70 11.438 36.184 33.423 1.00 54.01 N ATOM 1593 CA GLY B 70 11.925 34.842 33.652 1.00 52.38 C ATOM 1594 C GLY B 70 11.089 34.115 34.681 1.00 52.82 C ATOM 1595 O GLY B 70 9.932 34.464 34.919 1.00 51.28 O ATOM 1596 N ARG B 71 11.671 33.098 35.301 1.00 53.33 N ATOM 1597 CA ARG B 71 10.950 32.340 36.310 1.00 55.70 C ATOM 1598 C ARG B 71 10.725 33.217 37.538 1.00 55.11 C ATOM 1599 O ARG B 71 11.678 33.705 38.151 1.00 54.78 O ATOM 1600 CB ARG B 71 11.742 31.088 36.693 1.00 59.00 C ATOM 1601 CG ARG B 71 10.874 29.864 36.986 1.00 64.25 C ATOM 1602 CD ARG B 71 10.243 29.925 38.375 1.00 68.73 C ATOM 1603 NE ARG B 71 11.239 30.136 39.425 1.00 74.41 N ATOM 1604 CZ ARG B 71 12.240 29.298 39.695 1.00 77.60 C ATOM 1605 NH1 ARG B 71 12.384 28.179 38.988 1.00 79.38 N ATOM 1606 NH2 ARG B 71 13.105 29.582 40.666 1.00 77.90 N ATOM 1607 N GLU B 72 9.469 33.423 37.906 1.00 53.53 N ATOM 1608 CA GLU B 72 9.192 34.254 39.063 1.00 53.34 C ATOM 1609 C GLU B 72 9.124 33.482 40.386 1.00 52.89 C ATOM 1610 O GLU B 72 8.439 32.465 40.500 1.00 54.10 O ATOM 1611 CB GLU B 72 7.927 35.096 38.796 1.00 53.65 C ATOM 1612 CG GLU B 72 6.600 34.585 39.320 1.00 53.60 C ATOM 1613 CD GLU B 72 5.408 35.344 38.721 1.00 54.20 C ATOM 1614 OE1 GLU B 72 5.624 36.225 37.859 1.00 52.93 O ATOM 1615 OE2 GLU B 72 4.256 35.060 39.114 1.00 53.24 O ATOM 1616 N GLU B 73 9.895 33.948 41.370 1.00 51.97 N ATOM 1617 CA GLU B 73 9.939 33.331 42.701 1.00 49.71 C ATOM 1618 C GLU B 73 9.127 34.180 43.663 1.00 50.16 C ATOM 1619 O GLU B 73 9.251 35.407 43.679 1.00 52.07 O ATOM 1620 CB GLU B 73 11.382 33.239 43.224 1.00 46.66 C ATOM 1621 CG GLU B 73 12.379 32.705 42.216 1.00 44.25 C ATOM 1622 CD GLU B 73 13.801 32.625 42.753 1.00 44.09 C ATOM 1623 OE1 GLU B 73 14.009 32.790 43.975 1.00 43.40 O ATOM 1624 OE2 GLU B 73 14.719 32.398 41.937 1.00 43.53 O ATOM 1625 N ARG B 74 8.287 33.538 44.458 1.00 49.58 N ATOM 1626 CA ARG B 74 7.480 34.270 45.417 1.00 50.87 C ATOM 1627 C ARG B 74 8.092 34.086 46.797 1.00 51.53 C ATOM 1628 O ARG B 74 8.849 33.141 47.024 1.00 52.87 O ATOM 1629 CB ARG B 74 6.027 33.766 45.400 1.00 50.92 C ATOM 1630 CG ARG B 74 4.980 34.866 45.560 1.00 52.03 C ATOM 1631 CD ARG B 74 3.719 34.578 44.763 1.00 53.32 C ATOM 1632 NE ARG B 74 3.998 34.045 43.430 1.00 54.69 N ATOM 1633 CZ ARG B 74 3.547 34.582 42.297 1.00 55.00 C ATOM 1634 NH1 ARG B 74 2.793 35.673 42.328 1.00 56.27 N ATOM 1635 NH2 ARG B 74 3.830 34.019 41.131 1.00 52.88 N ATOM 1636 N GLY B 75 7.779 35.002 47.707 1.00 51.62 N ATOM 1637 CA GLY B 75 8.294 34.915 49.059 1.00 52.50 C ATOM 1638 C GLY B 75 7.214 34.525 50.055 1.00 52.70 C ATOM 1639 O GLY B 75 6.040 34.422 49.698 1.00 53.07 O ATOM 1640 N PRO B 76 7.588 34.271 51.317 1.00 53.96 N ATOM 1641 CA PRO B 76 6.666 33.886 52.399 1.00 53.84 C ATOM 1642 C PRO B 76 5.872 35.027 53.058 1.00 54.59 C ATOM 1643 O PRO B 76 6.321 35.609 54.043 1.00 56.35 O ATOM 1644 CB PRO B 76 7.570 33.189 53.422 1.00 54.17 C ATOM 1645 CG PRO B 76 8.982 33.233 52.844 1.00 53.94 C ATOM 1646 CD PRO B 76 8.987 34.278 51.777 1.00 54.00 C ATOM 1647 N GLY B 77 4.694 35.344 52.529 1.00 54.34 N ATOM 1648 CA GLY B 77 3.888 36.395 53.129 1.00 52.58 C ATOM 1649 C GLY B 77 4.219 37.798 52.672 1.00 52.44 C ATOM 1650 O GLY B 77 5.023 37.994 51.765 1.00 54.98 O ATOM 1651 N VAL B 78 3.588 38.782 53.301 1.00 50.26 N ATOM 1652 CA VAL B 78 3.811 40.179 52.959 1.00 48.10 C ATOM 1653 C VAL B 78 4.275 40.917 54.202 1.00 46.88 C ATOM 1654 O VAL B 78 3.478 41.250 55.073 1.00 46.85 O ATOM 1655 CB VAL B 78 2.513 40.825 52.415 1.00 48.52 C ATOM 1656 CG1 VAL B 78 2.796 42.188 51.780 1.00 44.94 C ATOM 1657 CG2 VAL B 78 1.896 39.897 51.400 1.00 48.30 C ATOM 1658 N PRO B 79 5.589 41.165 54.305 1.00 46.98 N ATOM 1659 CA PRO B 79 6.183 41.866 55.441 1.00 47.06 C ATOM 1660 C PRO B 79 6.017 43.372 55.349 1.00 47.67 C ATOM 1661 O PRO B 79 6.753 44.119 55.990 1.00 48.78 O ATOM 1662 CB PRO B 79 7.653 41.454 55.401 1.00 46.19 C ATOM 1663 CG PRO B 79 7.793 40.537 54.215 1.00 46.67 C ATOM 1664 CD PRO B 79 6.619 40.772 53.337 1.00 46.57 C ATOM 1665 N PHE B 80 5.052 43.809 54.545 1.00 47.64 N ATOM 1666 CA PHE B 80 4.771 45.227 54.384 1.00 47.83 C ATOM 1667 C PHE B 80 3.315 45.448 54.729 1.00 50.57 C ATOM 1668 O PHE B 80 2.488 44.565 54.521 1.00 50.20 O ATOM 1669 CB PHE B 80 4.999 45.662 52.943 1.00 44.36 C ATOM 1670 CG PHE B 80 6.387 45.465 52.477 1.00 42.55 C ATOM 1671 CD1 PHE B 80 7.349 46.439 52.699 1.00 43.01 C ATOM 1672 CD2 PHE B 80 6.748 44.295 51.826 1.00 43.97 C ATOM 1673 CE1 PHE B 80 8.661 46.250 52.279 1.00 43.06 C ATOM 1674 CE2 PHE B 80 8.059 44.092 51.397 1.00 44.01 C ATOM 1675 CZ PHE B 80 9.017 45.070 51.625 1.00 42.98 C ATOM 1676 N GLN B 81 2.998 46.627 55.246 1.00 54.01 N ATOM 1677 CA GLN B 81 1.626 46.937 55.592 1.00 57.63 C ATOM 1678 C GLN B 81 1.314 48.370 55.207 1.00 56.90 C ATOM 1679 O GLN B 81 2.116 49.265 55.435 1.00 56.20 O ATOM 1680 CB GLN B 81 1.410 46.729 57.087 1.00 63.57 C ATOM 1681 CG GLN B 81 -0.038 46.539 57.477 1.00 72.35 C ATOM 1682 CD GLN B 81 -0.410 47.338 58.721 1.00 77.81 C ATOM 1683 OE1 GLN B 81 0.010 47.007 59.841 1.00 79.25 O ATOM 1684 NE2 GLN B 81 -1.201 48.400 58.533 1.00 80.01 N ATOM 1685 N ARG B 82 0.143 48.574 54.614 1.00 58.25 N ATOM 1686 CA ARG B 82 -0.308 49.895 54.173 1.00 57.71 C ATOM 1687 C ARG B 82 -0.203 50.946 55.301 1.00 56.46 C ATOM 1688 O ARG B 82 -0.404 50.631 56.477 1.00 55.50 O ATOM 1689 CB ARG B 82 -1.762 49.791 53.658 1.00 59.98 C ATOM 1690 CG ARG B 82 -1.907 49.585 52.140 1.00 61.02 C ATOM 1691 CD ARG B 82 -3.084 48.666 51.774 1.00 63.48 C ATOM 1692 NE ARG B 82 -3.302 48.581 50.323 1.00 66.23 N ATOM 1693 CZ ARG B 82 -3.662 47.476 49.664 1.00 67.16 C ATOM 1694 NH1 ARG B 82 -3.855 46.331 50.312 1.00 68.34 N ATOM 1695 NH2 ARG B 82 -3.827 47.512 48.348 1.00 66.33 N ATOM 1696 N GLY B 83 0.119 52.185 54.925 1.00 55.33 N ATOM 1697 CA GLY B 83 0.255 53.279 55.877 1.00 54.96 C ATOM 1698 C GLY B 83 1.376 53.113 56.893 1.00 55.48 C ATOM 1699 O GLY B 83 1.541 53.911 57.821 1.00 56.98 O ATOM 1700 N GLN B 84 2.170 52.072 56.702 1.00 54.65 N ATOM 1701 CA GLN B 84 3.260 51.763 57.606 1.00 51.95 C ATOM 1702 C GLN B 84 4.658 51.936 56.988 1.00 49.58 C ATOM 1703 O GLN B 84 4.848 51.836 55.770 1.00 48.26 O ATOM 1704 CB GLN B 84 3.074 50.329 58.074 1.00 53.77 C ATOM 1705 CG GLN B 84 3.801 49.983 59.313 1.00 59.85 C ATOM 1706 CD GLN B 84 2.883 49.848 60.488 1.00 62.04 C ATOM 1707 OE1 GLN B 84 1.873 50.551 60.602 1.00 64.02 O ATOM 1708 NE2 GLN B 84 3.224 48.935 61.383 1.00 63.88 N ATOM 1709 N PRO B 85 5.648 52.248 57.837 1.00 47.47 N ATOM 1710 CA PRO B 85 7.011 52.408 57.328 1.00 46.71 C ATOM 1711 C PRO B 85 7.759 51.057 57.336 1.00 45.67 C ATOM 1712 O PRO B 85 7.436 50.162 58.125 1.00 45.31 O ATOM 1713 CB PRO B 85 7.637 53.418 58.281 1.00 45.53 C ATOM 1714 CG PRO B 85 6.771 53.400 59.526 1.00 45.45 C ATOM 1715 CD PRO B 85 5.568 52.528 59.276 1.00 45.45 C ATOM 1716 N PHE B 86 8.743 50.911 56.446 1.00 44.09 N ATOM 1717 CA PHE B 86 9.525 49.678 56.312 1.00 41.59 C ATOM 1718 C PHE B 86 10.985 50.006 56.040 1.00 40.70 C ATOM 1719 O PHE B 86 11.306 51.097 55.575 1.00 40.80 O ATOM 1720 CB PHE B 86 8.996 48.840 55.139 1.00 39.16 C ATOM 1721 CG PHE B 86 9.243 49.470 53.798 1.00 38.17 C ATOM 1722 CD1 PHE B 86 10.450 49.282 53.135 1.00 38.74 C ATOM 1723 CD2 PHE B 86 8.289 50.293 53.217 1.00 38.29 C ATOM 1724 CE1 PHE B 86 10.705 49.912 51.908 1.00 38.30 C ATOM 1725 CE2 PHE B 86 8.532 50.930 51.991 1.00 40.17 C ATOM 1726 CZ PHE B 86 9.740 50.738 51.337 1.00 38.74 C ATOM 1727 N GLU B 87 11.868 49.064 56.345 1.00 39.30 N ATOM 1728 CA GLU B 87 13.284 49.233 56.071 1.00 38.35 C ATOM 1729 C GLU B 87 13.669 47.933 55.419 1.00 37.81 C ATOM 1730 O GLU B 87 13.469 46.873 56.001 1.00 39.05 O ATOM 1731 CB GLU B 87 14.128 49.414 57.331 1.00 38.72 C ATOM 1732 CG GLU B 87 15.628 49.173 57.046 1.00 42.66 C ATOM 1733 CD GLU B 87 16.570 49.683 58.132 1.00 46.28 C ATOM 1734 OE1 GLU B 87 16.815 48.941 59.105 1.00 51.55 O ATOM 1735 OE2 GLU B 87 17.083 50.817 58.016 1.00 48.67 O ATOM 1736 N VAL B 88 14.209 48.014 54.210 1.00 35.62 N ATOM 1737 CA VAL B 88 14.600 46.827 53.475 1.00 33.72 C ATOM 1738 C VAL B 88 16.099 46.838 53.223 1.00 32.96 C ATOM 1739 O VAL B 88 16.675 47.896 52.967 1.00 32.77 O ATOM 1740 CB VAL B 88 13.878 46.771 52.098 1.00 34.03 C ATOM 1741 CG1 VAL B 88 14.584 45.801 51.163 1.00 34.79 C ATOM 1742 CG2 VAL B 88 12.443 46.347 52.276 1.00 33.85 C ATOM 1743 N LEU B 89 16.731 45.670 53.315 1.00 30.92 N ATOM 1744 CA LEU B 89 18.154 45.563 53.018 1.00 29.77 C ATOM 1745 C LEU B 89 18.282 44.557 51.897 1.00 29.15 C ATOM 1746 O LEU B 89 17.697 43.474 51.973 1.00 29.18 O ATOM 1747 CB LEU B 89 18.967 45.041 54.207 1.00 30.02 C ATOM 1748 CG LEU B 89 19.123 45.834 55.503 1.00 32.19 C ATOM 1749 CD1 LEU B 89 20.038 45.021 56.431 1.00 31.18 C ATOM 1750 CD2 LEU B 89 19.685 47.226 55.249 1.00 29.98 C ATOM 1751 N ILE B 90 19.012 44.916 50.845 1.00 27.24 N ATOM 1752 CA ILE B 90 19.254 43.973 49.759 1.00 28.33 C ATOM 1753 C ILE B 90 20.757 43.722 49.814 1.00 29.35 C ATOM 1754 O ILE B 90 21.570 44.639 49.587 1.00 29.90 O ATOM 1755 CB ILE B 90 18.857 44.540 48.390 1.00 29.76 C ATOM 1756 CG1 ILE B 90 17.324 44.632 48.316 1.00 29.98 C ATOM 1757 CG2 ILE B 90 19.448 43.646 47.249 1.00 25.24 C ATOM 1758 CD1 ILE B 90 16.837 45.624 47.279 1.00 33.18 C ATOM 1759 N ILE B 91 21.117 42.489 50.144 1.00 26.80 N ATOM 1760 CA ILE B 91 22.518 42.135 50.288 1.00 28.30 C ATOM 1761 C ILE B 91 23.066 41.233 49.188 1.00 29.31 C ATOM 1762 O ILE B 91 22.638 40.090 49.033 1.00 31.83 O ATOM 1763 CB ILE B 91 22.773 41.460 51.681 1.00 27.62 C ATOM 1764 CG1 ILE B 91 22.216 42.344 52.812 1.00 26.52 C ATOM 1765 CG2 ILE B 91 24.278 41.238 51.902 1.00 27.60 C ATOM 1766 CD1 ILE B 91 21.985 41.593 54.130 1.00 26.60 C ATOM 1767 N ALA B 92 24.028 41.753 48.430 1.00 28.43 N ATOM 1768 CA ALA B 92 24.651 40.984 47.367 1.00 28.66 C ATOM 1769 C ALA B 92 25.723 40.086 47.954 1.00 30.93 C ATOM 1770 O ALA B 92 26.675 40.558 48.587 1.00 32.43 O ATOM 1771 CB ALA B 92 25.282 41.912 46.337 1.00 26.26 C ATOM 1772 N SER B 93 25.553 38.785 47.772 1.00 34.65 N ATOM 1773 CA SER B 93 26.547 37.819 48.224 1.00 38.02 C ATOM 1774 C SER B 93 27.046 37.121 46.961 1.00 39.85 C ATOM 1775 O SER B 93 26.548 37.373 45.859 1.00 37.84 O ATOM 1776 CB SER B 93 25.939 36.800 49.189 1.00 39.56 C ATOM 1777 OG SER B 93 25.341 35.732 48.479 1.00 45.30 O ATOM 1778 N ASP B 94 28.026 36.243 47.111 1.00 43.50 N ATOM 1779 CA ASP B 94 28.586 35.541 45.962 1.00 46.07 C ATOM 1780 C ASP B 94 27.563 34.726 45.171 1.00 46.34 C ATOM 1781 O ASP B 94 27.651 34.640 43.946 1.00 47.78 O ATOM 1782 CB ASP B 94 29.744 34.627 46.406 1.00 48.65 C ATOM 1783 CG ASP B 94 29.516 33.998 47.781 1.00 51.23 C ATOM 1784 OD1 ASP B 94 28.551 34.360 48.483 1.00 52.22 O ATOM 1785 OD2 ASP B 94 30.321 33.128 48.166 1.00 54.89 O ATOM 1786 N ASP B 95 26.588 34.137 45.853 1.00 45.72 N ATOM 1787 CA ASP B 95 25.613 33.325 45.144 1.00 45.66 C ATOM 1788 C ASP B 95 24.190 33.871 45.022 1.00 43.57 C ATOM 1789 O ASP B 95 23.281 33.146 44.623 1.00 42.47 O ATOM 1790 CB ASP B 95 25.581 31.919 45.750 1.00 50.45 C ATOM 1791 CG ASP B 95 24.953 31.882 47.131 1.00 55.21 C ATOM 1792 OD1 ASP B 95 24.498 32.941 47.620 1.00 57.94 O ATOM 1793 OD2 ASP B 95 24.916 30.780 47.730 1.00 58.80 O ATOM 1794 N GLY B 96 23.981 35.142 45.358 1.00 41.75 N ATOM 1795 CA GLY B 96 22.643 35.701 45.238 1.00 36.59 C ATOM 1796 C GLY B 96 22.424 36.995 45.990 1.00 34.02 C ATOM 1797 O GLY B 96 23.361 37.598 46.506 1.00 33.71 O ATOM 1798 N PHE B 97 21.171 37.431 46.034 1.00 31.32 N ATOM 1799 CA PHE B 97 20.797 38.644 46.746 1.00 28.71 C ATOM 1800 C PHE B 97 19.961 38.209 47.920 1.00 28.48 C ATOM 1801 O PHE B 97 19.045 37.416 47.757 1.00 27.88 O ATOM 1802 CB PHE B 97 19.942 39.563 45.870 1.00 26.88 C ATOM 1803 CG PHE B 97 20.683 40.173 44.717 1.00 26.80 C ATOM 1804 CD1 PHE B 97 21.640 41.150 44.933 1.00 25.32 C ATOM 1805 CD2 PHE B 97 20.406 39.785 43.406 1.00 26.83 C ATOM 1806 CE1 PHE B 97 22.314 41.738 43.852 1.00 27.51 C ATOM 1807 CE2 PHE B 97 21.073 40.367 42.320 1.00 26.15 C ATOM 1808 CZ PHE B 97 22.028 41.344 42.543 1.00 25.33 C ATOM 1809 N LYS B 98 20.277 38.706 49.108 1.00 29.58 N ATOM 1810 CA LYS B 98 19.484 38.367 50.285 1.00 29.15 C ATOM 1811 C LYS B 98 18.579 39.568 50.538 1.00 28.53 C ATOM 1812 O LYS B 98 19.051 40.708 50.575 1.00 30.01 O ATOM 1813 CB LYS B 98 20.376 38.137 51.508 1.00 29.34 C ATOM 1814 CG LYS B 98 21.583 37.265 51.252 1.00 32.11 C ATOM 1815 CD LYS B 98 22.208 36.787 52.546 1.00 31.56 C ATOM 1816 CE LYS B 98 23.351 37.675 52.945 1.00 35.36 C ATOM 1817 NZ LYS B 98 24.352 36.935 53.775 1.00 35.93 N ATOM 1818 N ALA B 99 17.283 39.328 50.684 1.00 26.04 N ATOM 1819 CA ALA B 99 16.356 40.418 50.938 1.00 26.74 C ATOM 1820 C ALA B 99 16.001 40.305 52.401 1.00 28.07 C ATOM 1821 O ALA B 99 15.520 39.269 52.860 1.00 30.67 O ATOM 1822 CB ALA B 99 15.098 40.294 50.062 1.00 25.95 C ATOM 1823 N VAL B 100 16.275 41.367 53.141 1.00 27.41 N ATOM 1824 CA VAL B 100 15.998 41.403 54.557 1.00 26.90 C ATOM 1825 C VAL B 100 14.967 42.477 54.763 1.00 27.93 C ATOM 1826 O VAL B 100 15.158 43.615 54.331 1.00 27.82 O ATOM 1827 CB VAL B 100 17.259 41.795 55.367 1.00 29.00 C ATOM 1828 CG1 VAL B 100 16.903 41.930 56.844 1.00 30.51 C ATOM 1829 CG2 VAL B 100 18.365 40.769 55.160 1.00 27.67 C ATOM 1830 N VAL B 101 13.868 42.129 55.412 1.00 29.49 N ATOM 1831 CA VAL B 101 12.851 43.128 55.676 1.00 32.37 C ATOM 1832 C VAL B 101 12.641 43.228 57.184 1.00 36.36 C ATOM 1833 O VAL B 101 12.343 42.240 57.851 1.00 36.35 O ATOM 1834 CB VAL B 101 11.520 42.790 54.969 1.00 30.88 C ATOM 1835 CG1 VAL B 101 10.510 43.894 55.210 1.00 31.74 C ATOM 1836 CG2 VAL B 101 11.750 42.624 53.463 1.00 29.76 C ATOM 1837 N GLY B 102 12.853 44.430 57.714 1.00 39.46 N ATOM 1838 CA GLY B 102 12.681 44.668 59.130 1.00 43.06 C ATOM 1839 C GLY B 102 13.193 43.585 60.069 1.00 47.30 C ATOM 1840 O GLY B 102 12.404 42.839 60.690 1.00 49.74 O ATOM 1841 N ASP B 103 14.516 43.494 60.169 1.00 47.47 N ATOM 1842 CA ASP B 103 15.163 42.550 61.067 1.00 46.75 C ATOM 1843 C ASP B 103 15.040 41.066 60.784 1.00 44.78 C ATOM 1844 O ASP B 103 15.422 40.242 61.621 1.00 42.95 O ATOM 1845 CB ASP B 103 14.705 42.828 62.491 1.00 50.03 C ATOM 1846 CG ASP B 103 15.517 43.921 63.140 1.00 53.14 C ATOM 1847 OD1 ASP B 103 15.398 45.089 62.700 1.00 53.15 O ATOM 1848 OD2 ASP B 103 16.290 43.608 64.075 1.00 56.07 O ATOM 1849 N ALA B 104 14.542 40.711 59.606 1.00 43.72 N ATOM 1850 CA ALA B 104 14.406 39.301 59.274 1.00 43.51 C ATOM 1851 C ALA B 104 14.725 38.982 57.834 1.00 43.40 C ATOM 1852 O ALA B 104 14.294 39.686 56.922 1.00 45.26 O ATOM 1853 CB ALA B 104 13.011 38.817 59.592 1.00 42.58 C ATOM 1854 N GLN B 105 15.490 37.909 57.654 1.00 43.07 N ATOM 1855 CA GLN B 105 15.875 37.401 56.347 1.00 43.19 C ATOM 1856 C GLN B 105 14.564 36.958 55.676 1.00 41.51 C ATOM 1857 O GLN B 105 13.857 36.075 56.168 1.00 42.12 O ATOM 1858 CB GLN B 105 16.828 36.220 56.532 1.00 43.71 C ATOM 1859 CG GLN B 105 16.884 35.282 55.367 1.00 49.04 C ATOM 1860 CD GLN B 105 17.703 35.857 54.252 1.00 52.04 C ATOM 1861 OE1 GLN B 105 18.872 36.193 54.440 1.00 54.77 O ATOM 1862 NE2 GLN B 105 17.096 35.989 53.081 1.00 53.15 N ATOM 1863 N TYR B 106 14.234 37.577 54.556 1.00 38.93 N ATOM 1864 CA TYR B 106 12.982 37.267 53.896 1.00 38.57 C ATOM 1865 C TYR B 106 13.085 36.260 52.758 1.00 37.47 C ATOM 1866 O TYR B 106 12.365 35.263 52.733 1.00 36.74 O ATOM 1867 CB TYR B 106 12.359 38.573 53.393 1.00 40.53 C ATOM 1868 CG TYR B 106 11.067 38.387 52.645 1.00 42.34 C ATOM 1869 CD1 TYR B 106 9.908 37.977 53.307 1.00 42.37 C ATOM 1870 CD2 TYR B 106 11.008 38.579 51.261 1.00 43.66 C ATOM 1871 CE1 TYR B 106 8.713 37.757 52.601 1.00 43.36 C ATOM 1872 CE2 TYR B 106 9.821 38.361 50.548 1.00 44.44 C ATOM 1873 CZ TYR B 106 8.683 37.947 51.224 1.00 43.94 C ATOM 1874 OH TYR B 106 7.533 37.699 50.515 1.00 43.70 O ATOM 1875 N HIS B 107 13.978 36.525 51.815 1.00 35.26 N ATOM 1876 CA HIS B 107 14.137 35.656 50.680 1.00 35.18 C ATOM 1877 C HIS B 107 15.564 35.747 50.163 1.00 36.59 C ATOM 1878 O HIS B 107 16.243 36.746 50.379 1.00 36.12 O ATOM 1879 CB HIS B 107 13.151 36.084 49.589 1.00 36.84 C ATOM 1880 CG HIS B 107 13.148 35.199 48.377 1.00 39.48 C ATOM 1881 ND1 HIS B 107 12.661 33.909 48.398 1.00 40.35 N ATOM 1882 CD2 HIS B 107 13.570 35.422 47.108 1.00 39.73 C ATOM 1883 CE1 HIS B 107 12.786 33.376 47.194 1.00 40.47 C ATOM 1884 NE2 HIS B 107 13.334 34.272 46.394 1.00 41.11 N ATOM 1885 N HIS B 108 16.020 34.676 49.513 1.00 38.78 N ATOM 1886 CA HIS B 108 17.345 34.620 48.890 1.00 39.69 C ATOM 1887 C HIS B 108 17.064 34.375 47.406 1.00 39.34 C ATOM 1888 O HIS B 108 16.321 33.453 47.047 1.00 40.19 O ATOM 1889 CB HIS B 108 18.200 33.480 49.450 1.00 41.88 C ATOM 1890 CG HIS B 108 19.588 33.438 48.885 1.00 45.27 C ATOM 1891 ND1 HIS B 108 20.032 32.417 48.070 1.00 47.91 N ATOM 1892 CD2 HIS B 108 20.629 34.296 49.006 1.00 47.45 C ATOM 1893 CE1 HIS B 108 21.285 32.649 47.716 1.00 49.01 C ATOM 1894 NE2 HIS B 108 21.671 33.783 48.271 1.00 48.98 N ATOM 1895 N PHE B 109 17.638 35.217 46.554 1.00 36.66 N ATOM 1896 CA PHE B 109 17.429 35.139 45.121 1.00 34.53 C ATOM 1897 C PHE B 109 18.773 34.842 44.507 1.00 35.32 C ATOM 1898 O PHE B 109 19.700 35.652 44.612 1.00 33.98 O ATOM 1899 CB PHE B 109 16.896 36.486 44.632 1.00 33.82 C ATOM 1900 CG PHE B 109 16.478 36.503 43.193 1.00 34.68 C ATOM 1901 CD1 PHE B 109 15.199 36.101 42.821 1.00 36.12 C ATOM 1902 CD2 PHE B 109 17.349 36.955 42.209 1.00 34.81 C ATOM 1903 CE1 PHE B 109 14.796 36.154 41.484 1.00 36.28 C ATOM 1904 CE2 PHE B 109 16.956 37.013 40.867 1.00 37.47 C ATOM 1905 CZ PHE B 109 15.679 36.612 40.507 1.00 36.52 C ATOM 1906 N ARG B 110 18.907 33.685 43.872 1.00 34.89 N ATOM 1907 CA ARG B 110 20.201 33.373 43.283 1.00 36.69 C ATOM 1908 C ARG B 110 20.482 34.167 42.003 1.00 34.44 C ATOM 1909 O ARG B 110 19.581 34.466 41.234 1.00 35.35 O ATOM 1910 CB ARG B 110 20.323 31.859 43.060 1.00 39.54 C ATOM 1911 CG ARG B 110 20.653 31.121 44.358 1.00 44.00 C ATOM 1912 CD ARG B 110 20.930 29.651 44.150 1.00 46.80 C ATOM 1913 NE ARG B 110 20.151 28.860 45.095 1.00 49.43 N ATOM 1914 CZ ARG B 110 20.682 28.247 46.143 1.00 50.42 C ATOM 1915 NH1 ARG B 110 21.991 28.353 46.351 1.00 50.25 N ATOM 1916 NH2 ARG B 110 19.914 27.536 46.970 1.00 47.62 N ATOM 1917 N HIS B 111 21.738 34.530 41.794 1.00 34.75 N ATOM 1918 CA HIS B 111 22.113 35.302 40.621 1.00 36.05 C ATOM 1919 C HIS B 111 21.718 34.618 39.316 1.00 38.83 C ATOM 1920 O HIS B 111 22.029 33.447 39.105 1.00 39.53 O ATOM 1921 CB HIS B 111 23.622 35.554 40.617 1.00 34.51 C ATOM 1922 CG HIS B 111 24.089 36.465 41.712 1.00 35.71 C ATOM 1923 ND1 HIS B 111 23.455 37.651 42.016 1.00 35.69 N ATOM 1924 CD2 HIS B 111 25.109 36.349 42.595 1.00 34.93 C ATOM 1925 CE1 HIS B 111 24.062 38.223 43.040 1.00 35.92 C ATOM 1926 NE2 HIS B 111 25.069 37.454 43.409 1.00 35.81 N ATOM 1927 N ARG B 112 21.030 35.358 38.447 1.00 40.23 N ATOM 1928 CA ARG B 112 20.628 34.859 37.137 1.00 40.50 C ATOM 1929 C ARG B 112 21.539 35.574 36.152 1.00 42.77 C ATOM 1930 O ARG B 112 22.167 34.944 35.299 1.00 45.56 O ATOM 1931 CB ARG B 112 19.160 35.179 36.870 1.00 39.18 C ATOM 1932 CG ARG B 112 18.244 34.226 37.607 1.00 36.58 C ATOM 1933 CD ARG B 112 16.805 34.636 37.549 1.00 36.67 C ATOM 1934 NE ARG B 112 15.996 33.866 38.493 1.00 36.30 N ATOM 1935 CZ ARG B 112 14.667 33.865 38.498 1.00 34.13 C ATOM 1936 NH1 ARG B 112 14.012 34.597 37.605 1.00 36.28 N ATOM 1937 NH2 ARG B 112 13.999 33.134 39.385 1.00 33.64 N ATOM 1938 N LEU B 113 21.624 36.896 36.292 1.00 43.74 N ATOM 1939 CA LEU B 113 22.512 37.702 35.460 1.00 42.61 C ATOM 1940 C LEU B 113 23.732 37.909 36.344 1.00 42.96 C ATOM 1941 O LEU B 113 23.674 37.670 37.549 1.00 42.57 O ATOM 1942 CB LEU B 113 21.896 39.073 35.107 1.00 42.98 C ATOM 1943 CG LEU B 113 20.442 39.258 34.633 1.00 43.80 C ATOM 1944 CD1 LEU B 113 20.374 40.373 33.603 1.00 40.37 C ATOM 1945 CD2 LEU B 113 19.894 37.974 34.051 1.00 44.39 C ATOM 1946 N PRO B 114 24.860 38.345 35.765 1.00 44.44 N ATOM 1947 CA PRO B 114 26.070 38.567 36.568 1.00 43.75 C ATOM 1948 C PRO B 114 26.068 39.913 37.306 1.00 43.48 C ATOM 1949 O PRO B 114 25.724 40.958 36.744 1.00 41.95 O ATOM 1950 CB PRO B 114 27.216 38.465 35.551 1.00 44.57 C ATOM 1951 CG PRO B 114 26.564 38.401 34.177 1.00 45.55 C ATOM 1952 CD PRO B 114 25.083 38.639 34.340 1.00 45.50 C ATOM 1953 N LEU B 115 26.447 39.860 38.577 1.00 43.85 N ATOM 1954 CA LEU B 115 26.515 41.036 39.441 1.00 43.72 C ATOM 1955 C LEU B 115 27.186 42.176 38.713 1.00 43.53 C ATOM 1956 O LEU B 115 26.769 43.324 38.829 1.00 44.38 O ATOM 1957 CB LEU B 115 27.343 40.731 40.694 1.00 42.52 C ATOM 1958 CG LEU B 115 26.667 40.394 42.015 1.00 41.73 C ATOM 1959 CD1 LEU B 115 27.661 40.591 43.138 1.00 42.28 C ATOM 1960 CD2 LEU B 115 25.463 41.276 42.216 1.00 42.84 C ATOM 1961 N ALA B 116 28.229 41.834 37.963 1.00 41.85 N ATOM 1962 CA ALA B 116 29.025 42.794 37.226 1.00 41.45 C ATOM 1963 C ALA B 116 28.268 43.709 36.271 1.00 41.15 C ATOM 1964 O ALA B 116 28.694 44.828 36.026 1.00 42.69 O ATOM 1965 CB ALA B 116 30.110 42.066 36.491 1.00 42.36 C ATOM 1966 N ARG B 117 27.143 43.260 35.740 1.00 41.57 N ATOM 1967 CA ARG B 117 26.384 44.106 34.825 1.00 41.42 C ATOM 1968 C ARG B 117 25.444 45.110 35.499 1.00 40.74 C ATOM 1969 O ARG B 117 24.968 46.034 34.845 1.00 41.25 O ATOM 1970 CB ARG B 117 25.570 43.235 33.865 1.00 42.18 C ATOM 1971 CG ARG B 117 26.416 42.303 33.006 1.00 45.64 C ATOM 1972 CD ARG B 117 25.619 41.811 31.810 1.00 44.38 C ATOM 1973 NE ARG B 117 24.972 42.928 31.135 1.00 47.98 N ATOM 1974 CZ ARG B 117 23.688 42.956 30.792 1.00 49.59 C ATOM 1975 NH1 ARG B 117 22.900 41.917 31.055 1.00 48.82 N ATOM 1976 NH2 ARG B 117 23.194 44.026 30.179 1.00 51.54 N ATOM 1977 N VAL B 118 25.160 44.933 36.789 1.00 40.32 N ATOM 1978 CA VAL B 118 24.250 45.844 37.506 1.00 39.62 C ATOM 1979 C VAL B 118 24.841 47.252 37.602 1.00 40.26 C ATOM 1980 O VAL B 118 25.988 47.425 38.027 1.00 40.39 O ATOM 1981 CB VAL B 118 23.940 45.316 38.931 1.00 38.80 C ATOM 1982 CG1 VAL B 118 22.919 46.218 39.629 1.00 35.60 C ATOM 1983 CG2 VAL B 118 23.410 43.889 38.844 1.00 37.62 C ATOM 1984 N ARG B 119 24.062 48.264 37.227 1.00 39.76 N ATOM 1985 CA ARG B 119 24.587 49.623 37.253 1.00 39.63 C ATOM 1986 C ARG B 119 23.719 50.669 37.936 1.00 38.35 C ATOM 1987 O ARG B 119 24.194 51.766 38.239 1.00 35.49 O ATOM 1988 CB ARG B 119 24.888 50.088 35.823 1.00 43.29 C ATOM 1989 CG ARG B 119 26.302 49.786 35.347 1.00 46.95 C ATOM 1990 CD ARG B 119 26.285 49.181 33.955 1.00 50.37 C ATOM 1991 NE ARG B 119 27.479 48.388 33.660 1.00 53.20 N ATOM 1992 CZ ARG B 119 27.540 47.466 32.702 1.00 54.44 C ATOM 1993 NH1 ARG B 119 26.476 47.221 31.946 1.00 56.22 N ATOM 1994 NH2 ARG B 119 28.664 46.790 32.497 1.00 56.10 N ATOM 1995 N LEU B 120 22.450 50.353 38.167 1.00 37.01 N ATOM 1996 CA LEU B 120 21.594 51.325 38.818 1.00 36.00 C ATOM 1997 C LEU B 120 20.440 50.725 39.588 1.00 34.52 C ATOM 1998 O LEU B 120 20.056 49.572 39.381 1.00 33.62 O ATOM 1999 CB LEU B 120 21.069 52.341 37.794 1.00 39.48 C ATOM 2000 CG LEU B 120 19.834 51.996 36.960 1.00 40.82 C ATOM 2001 CD1 LEU B 120 19.228 53.262 36.404 1.00 41.13 C ATOM 2002 CD2 LEU B 120 20.232 51.081 35.833 1.00 44.51 C ATOM 2003 N VAL B 121 19.913 51.523 40.508 1.00 33.15 N ATOM 2004 CA VAL B 121 18.788 51.122 41.331 1.00 34.37 C ATOM 2005 C VAL B 121 17.597 51.990 40.971 1.00 35.05 C ATOM 2006 O VAL B 121 17.716 53.203 40.788 1.00 33.61 O ATOM 2007 CB VAL B 121 19.053 51.314 42.832 1.00 33.53 C ATOM 2008 CG1 VAL B 121 18.163 50.402 43.618 1.00 32.59 C ATOM 2009 CG2 VAL B 121 20.498 51.046 43.145 1.00 37.16 C ATOM 2010 N GLU B 122 16.445 51.352 40.858 1.00 33.59 N ATOM 2011 CA GLU B 122 15.228 52.051 40.537 1.00 33.92 C ATOM 2012 C GLU B 122 14.185 51.600 41.555 1.00 32.68 C ATOM 2013 O GLU B 122 14.033 50.405 41.817 1.00 31.05 O ATOM 2014 CB GLU B 122 14.785 51.692 39.112 1.00 36.07 C ATOM 2015 CG GLU B 122 13.820 52.676 38.484 1.00 42.18 C ATOM 2016 CD GLU B 122 12.877 52.031 37.478 1.00 45.54 C ATOM 2017 OE1 GLU B 122 13.037 50.831 37.170 1.00 47.53 O ATOM 2018 OE2 GLU B 122 11.966 52.733 36.994 1.00 49.72 O ATOM 2019 N VAL B 123 13.504 52.568 42.159 1.00 32.19 N ATOM 2020 CA VAL B 123 12.445 52.292 43.126 1.00 33.04 C ATOM 2021 C VAL B 123 11.214 53.042 42.604 1.00 34.13 C ATOM 2022 O VAL B 123 11.264 54.252 42.414 1.00 35.23 O ATOM 2023 CB VAL B 123 12.800 52.813 44.541 1.00 30.37 C ATOM 2024 CG1 VAL B 123 11.742 52.376 45.537 1.00 28.55 C ATOM 2025 CG2 VAL B 123 14.147 52.277 44.971 1.00 29.63 C ATOM 2026 N GLY B 124 10.125 52.327 42.347 1.00 34.30 N ATOM 2027 CA GLY B 124 8.931 52.983 41.841 1.00 34.45 C ATOM 2028 C GLY B 124 7.630 52.383 42.342 1.00 34.48 C ATOM 2029 O GLY B 124 7.624 51.500 43.206 1.00 34.15 O ATOM 2030 N GLY B 125 6.519 52.868 41.798 1.00 35.33 N ATOM 2031 CA GLY B 125 5.228 52.356 42.206 1.00 36.50 C ATOM 2032 C GLY B 125 4.644 53.131 43.368 1.00 39.27 C ATOM 2033 O GLY B 125 5.018 54.286 43.605 1.00 39.64 O ATOM 2034 N ASP B 126 3.739 52.487 44.105 1.00 40.55 N ATOM 2035 CA ASP B 126 3.070 53.105 45.244 1.00 42.44 C ATOM 2036 C ASP B 126 3.907 53.044 46.509 1.00 42.60 C ATOM 2037 O ASP B 126 3.691 52.186 47.366 1.00 42.38 O ATOM 2038 CB ASP B 126 1.720 52.422 45.503 1.00 45.17 C ATOM 2039 CG ASP B 126 0.834 52.388 44.269 1.00 46.91 C ATOM 2040 OD1 ASP B 126 0.994 53.270 43.404 1.00 49.36 O ATOM 2041 OD2 ASP B 126 -0.025 51.482 44.155 1.00 50.42 O ATOM 2042 N VAL B 127 4.858 53.960 46.628 1.00 42.79 N ATOM 2043 CA VAL B 127 5.711 54.007 47.806 1.00 44.02 C ATOM 2044 C VAL B 127 6.251 55.412 48.055 1.00 45.90 C ATOM 2045 O VAL B 127 6.490 56.181 47.110 1.00 45.68 O ATOM 2046 CB VAL B 127 6.922 53.027 47.671 1.00 42.79 C ATOM 2047 CG1 VAL B 127 7.765 53.386 46.451 1.00 39.90 C ATOM 2048 CG2 VAL B 127 7.770 53.067 48.939 1.00 40.83 C ATOM 2049 N GLN B 128 6.421 55.748 49.332 1.00 46.43 N ATOM 2050 CA GLN B 128 6.986 57.036 49.707 1.00 48.22 C ATOM 2051 C GLN B 128 8.410 56.688 50.051 1.00 46.99 C ATOM 2052 O GLN B 128 8.658 56.150 51.119 1.00 47.73 O ATOM 2053 CB GLN B 128 6.316 57.604 50.951 1.00 52.29 C ATOM 2054 CG GLN B 128 4.832 57.887 50.791 1.00 60.91 C ATOM 2055 CD GLN B 128 4.508 59.375 50.834 1.00 63.80 C ATOM 2056 OE1 GLN B 128 5.383 60.216 50.602 1.00 66.04 O ATOM 2057 NE2 GLN B 128 3.245 59.707 51.127 1.00 64.55 N ATOM 2058 N LEU B 129 9.338 56.959 49.141 1.00 46.76 N ATOM 2059 CA LEU B 129 10.733 56.647 49.391 1.00 45.51 C ATOM 2060 C LEU B 129 11.305 57.695 50.318 1.00 46.20 C ATOM 2061 O LEU B 129 11.170 58.887 50.086 1.00 47.70 O ATOM 2062 CB LEU B 129 11.530 56.629 48.085 1.00 43.90 C ATOM 2063 CG LEU B 129 13.022 56.302 48.198 1.00 42.01 C ATOM 2064 CD1 LEU B 129 13.214 54.893 48.718 1.00 43.35 C ATOM 2065 CD2 LEU B 129 13.662 56.435 46.850 1.00 39.29 C ATOM 2066 N ASP B 130 11.937 57.249 51.384 1.00 46.21 N ATOM 2067 CA ASP B 130 12.531 58.178 52.316 1.00 47.46 C ATOM 2068 C ASP B 130 14.016 58.341 51.961 1.00 46.52 C ATOM 2069 O ASP B 130 14.516 59.467 51.893 1.00 47.14 O ATOM 2070 CB ASP B 130 12.344 57.648 53.734 1.00 53.07 C ATOM 2071 CG ASP B 130 13.329 58.234 54.711 1.00 58.12 C ATOM 2072 OD1 ASP B 130 13.899 59.315 54.422 1.00 60.88 O ATOM 2073 OD2 ASP B 130 13.523 57.606 55.777 1.00 61.90 O ATOM 2074 N SER B 131 14.713 57.224 51.721 1.00 42.67 N ATOM 2075 CA SER B 131 16.131 57.271 51.348 1.00 38.63 C ATOM 2076 C SER B 131 16.699 55.941 50.847 1.00 35.62 C ATOM 2077 O SER B 131 16.231 54.864 51.199 1.00 33.07 O ATOM 2078 CB SER B 131 16.984 57.778 52.525 1.00 36.79 C ATOM 2079 OG SER B 131 17.173 56.771 53.506 1.00 37.57 O ATOM 2080 N VAL B 132 17.693 56.039 49.978 1.00 34.79 N ATOM 2081 CA VAL B 132 18.372 54.864 49.463 1.00 32.43 C ATOM 2082 C VAL B 132 19.848 55.138 49.750 1.00 31.61 C ATOM 2083 O VAL B 132 20.385 56.181 49.370 1.00 31.48 O ATOM 2084 CB VAL B 132 18.147 54.669 47.948 1.00 31.95 C ATOM 2085 CG1 VAL B 132 19.024 53.541 47.430 1.00 29.03 C ATOM 2086 CG2 VAL B 132 16.702 54.334 47.680 1.00 33.08 C ATOM 2087 N ARG B 133 20.473 54.217 50.471 1.00 30.38 N ATOM 2088 CA ARG B 133 21.872 54.322 50.832 1.00 29.64 C ATOM 2089 C ARG B 133 22.571 53.045 50.399 1.00 29.84 C ATOM 2090 O ARG B 133 22.050 51.942 50.559 1.00 29.92 O ATOM 2091 CB ARG B 133 22.026 54.483 52.347 1.00 30.84 C ATOM 2092 CG ARG B 133 21.428 55.759 52.916 1.00 38.14 C ATOM 2093 CD ARG B 133 22.310 56.987 52.618 1.00 44.40 C ATOM 2094 NE ARG B 133 23.732 56.647 52.691 1.00 48.53 N ATOM 2095 CZ ARG B 133 24.508 56.860 53.752 1.00 48.78 C ATOM 2096 NH1 ARG B 133 24.009 57.422 54.851 1.00 45.35 N ATOM 2097 NH2 ARG B 133 25.781 56.485 53.717 1.00 50.34 N ATOM 2098 N ILE B 134 23.756 53.201 49.839 1.00 31.18 N ATOM 2099 CA ILE B 134 24.543 52.073 49.413 1.00 31.52 C ATOM 2100 C ILE B 134 25.786 52.008 50.299 1.00 32.56 C ATOM 2101 O ILE B 134 26.532 52.996 50.435 1.00 32.55 O ATOM 2102 CB ILE B 134 24.929 52.230 47.942 1.00 32.39 C ATOM 2103 CG1 ILE B 134 23.670 52.513 47.124 1.00 33.93 C ATOM 2104 CG2 ILE B 134 25.551 50.964 47.434 1.00 33.39 C ATOM 2105 CD1 ILE B 134 23.926 52.918 45.696 1.00 36.09 C ATOM 2106 N PHE B 135 25.989 50.845 50.917 1.00 31.65 N ATOM 2107 CA PHE B 135 27.129 50.616 51.801 1.00 31.39 C ATOM 2108 C PHE B 135 28.061 49.532 51.255 1.00 31.79 C ATOM 2109 O PHE B 135 27.610 48.683 50.464 1.00 33.65 O ATOM 2110 CB PHE B 135 26.628 50.206 53.185 1.00 29.76 C ATOM 2111 CG PHE B 135 25.880 51.289 53.905 1.00 30.56 C ATOM 2112 CD1 PHE B 135 26.485 52.518 54.183 1.00 32.18 C ATOM 2113 CD2 PHE B 135 24.585 51.077 54.339 1.00 32.37 C ATOM 2114 CE1 PHE B 135 25.808 53.518 54.887 1.00 32.25 C ATOM 2115 CE2 PHE B 135 23.892 52.077 55.050 1.00 33.76 C ATOM 2116 CZ PHE B 135 24.512 53.298 55.324 1.00 33.15 C ATOM 2117 OXT PHE B 135 29.242 49.516 51.641 1.00 35.50 O TER 2271 HOH A 199 HETATM 2272 O HOH B1000 4.480 36.404 48.531 1.00 56.50 O HETATM 2273 O HOH B1001 6.006 31.045 41.385 1.00 60.61 O HETATM 2274 O HOH B1002 5.688 32.180 36.428 1.00 64.36 O HETATM 2275 O HOH B1003 16.809 30.301 40.246 1.00 73.77 O HETATM 2276 O HOH B1004 16.997 32.991 40.983 1.00 35.47 O HETATM 2277 O HOH B1005 16.659 31.894 44.112 1.00 41.31 O HETATM 2278 O HOH B1006 12.309 32.057 50.939 1.00 65.37 O HETATM 2279 O HOH B1007 20.373 33.229 53.283 1.00 75.47 O HETATM 2280 O HOH B1008 19.980 49.063 59.604 1.00 47.00 O HETATM 2281 O HOH B1009 18.434 54.224 53.819 1.00 31.79 O HETATM 2282 O HOH B1010 10.331 46.800 57.826 1.00 53.57 O HETATM 2283 O HOH B1011 10.214 40.608 58.135 1.00 67.59 O HETATM 2284 O HOH B1012 12.078 34.680 60.336 1.00 68.93 O HETATM 2285 O HOH B1013 20.467 38.153 38.889 1.00 30.26 O HETATM 2286 O HOH B1014 22.597 39.043 39.747 1.00 34.16 O HETATM 2287 O HOH B1015 27.492 37.005 39.372 1.00 60.54 O HETATM 2288 O HOH B1016 29.935 38.986 38.106 1.00 44.44 O HETATM 2289 O HOH B1017 27.836 46.024 39.383 1.00 45.33 O HETATM 2290 O HOH B1018 28.727 51.578 43.844 1.00 40.62 O HETATM 2291 O HOH B1019 32.198 45.250 48.401 1.00 53.14 O HETATM 2292 O HOH B1020 16.905 51.784 32.455 1.00 54.44 O HETATM 2293 O HOH B1021 9.022 47.664 36.876 1.00 57.68 O END If you find results from this site helpful for your research, please cite one of our papers:
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