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*** 4GAL_B_opt ***elNémo ID: 2405212302262636378Job options:ID = 2405212302262636378 JOBID = 4GAL_B_opt USERID = Angela 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_B_opt 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 B 115 ARG B 117 1 3 SHEET 1 1 1 HIS B 5 SER B 8 0 SHEET 2 2 1 VAL B 18 LEU B 24 0 SHEET 3 3 1 PHE B 32 LEU B 37 0 SHEET 4 4 1 ALA B 46 ARG B 53 0 SHEET 5 5 1 GLU B 58 ASN B 62 0 SHEET 6 6 1 PRO B 85 SER B 93 0 SHEET 7 7 1 GLY B 96 VAL B 101 0 SHEET 8 8 1 ALA B 104 ARG B 110 0 SHEET 9 9 1 LEU B 120 GLY B 125 0 SHEET 10 10 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 ATOM 1 N SER B 1 3.573 61.982 42.108 1.00 82.86 N ATOM 2 CA SER B 1 3.378 61.231 40.848 1.00 82.82 C ATOM 3 C SER B 1 4.300 60.024 40.856 1.00 82.98 C ATOM 4 O SER B 1 5.334 60.115 41.508 1.00 83.43 O ATOM 5 CB SER B 1 3.669 62.094 39.616 1.00 82.16 C ATOM 6 OG SER B 1 3.313 61.348 38.478 1.00 80.73 O ATOM 7 HA SER B 1 2.348 60.884 40.787 1.00 0.00 H ATOM 8 HB2 SER B 1 3.075 63.008 39.648 1.00 0.00 H ATOM 9 HB3 SER B 1 4.731 62.348 39.577 1.00 0.00 H ATOM 10 H1 SER B 1 3.312 61.399 42.892 1.00 0.00 H ATOM 11 H2 SER B 1 3.021 62.828 42.114 1.00 0.00 H ATOM 12 H3 SER B 1 4.556 62.204 42.209 1.00 0.00 H ATOM 13 HG SER B 1 3.610 61.797 37.674 1.00 0.00 H ATOM 14 N ASN B 2 3.953 58.923 40.184 1.00 81.75 N ATOM 15 CA ASN B 2 4.850 57.771 40.031 1.00 79.85 C ATOM 16 C ASN B 2 5.914 58.040 38.948 1.00 76.84 C ATOM 17 O ASN B 2 5.758 57.635 37.799 1.00 76.84 O ATOM 18 CB ASN B 2 4.023 56.501 39.756 1.00 82.16 C ATOM 19 CG ASN B 2 4.900 55.258 39.669 1.00 83.72 C ATOM 20 OD1 ASN B 2 6.001 55.197 40.191 1.00 84.32 O ATOM 21 ND2 ASN B 2 4.421 54.202 39.058 1.00 84.49 N ATOM 22 H ASN B 2 3.146 58.956 39.576 1.00 0.00 H ATOM 23 HA ASN B 2 5.388 57.610 40.970 1.00 0.00 H ATOM 24 HB2 ASN B 2 3.303 56.346 40.559 1.00 0.00 H ATOM 25 HB3 ASN B 2 3.485 56.614 38.815 1.00 0.00 H ATOM 26 HD21 ASN B 2 5.032 53.406 38.995 1.00 0.00 H ATOM 27 HD22 ASN B 2 3.526 54.231 38.607 1.00 0.00 H ATOM 28 N VAL B 3 6.893 58.884 39.278 1.00 72.35 N ATOM 29 CA VAL B 3 8.166 58.961 38.549 1.00 67.17 C ATOM 30 C VAL B 3 9.178 58.136 39.350 1.00 62.64 C ATOM 31 O VAL B 3 9.354 58.449 40.529 1.00 62.99 O ATOM 32 CB VAL B 3 8.649 60.417 38.400 1.00 67.48 C ATOM 33 CG1 VAL B 3 10.013 60.495 37.701 1.00 66.01 C ATOM 34 CG2 VAL B 3 7.649 61.248 37.583 1.00 67.62 C ATOM 35 H VAL B 3 6.925 59.185 40.245 1.00 0.00 H ATOM 36 HA VAL B 3 8.050 58.549 37.549 1.00 0.00 H ATOM 37 HB VAL B 3 8.740 60.871 39.388 1.00 0.00 H ATOM 38 HG21 VAL B 3 8.017 62.270 37.483 1.00 0.00 H ATOM 39 HG22 VAL B 3 6.684 61.272 38.085 1.00 0.00 H ATOM 40 HG23 VAL B 3 7.528 60.812 36.591 1.00 0.00 H ATOM 41 HG11 VAL B 3 10.777 59.999 38.301 1.00 0.00 H ATOM 42 HG12 VAL B 3 10.310 61.537 37.580 1.00 0.00 H ATOM 43 HG13 VAL B 3 9.965 60.019 36.721 1.00 0.00 H ATOM 44 N PRO B 4 9.789 57.075 38.791 1.00 58.00 N ATOM 45 CA PRO B 4 10.729 56.252 39.543 1.00 54.43 C ATOM 46 C PRO B 4 11.935 57.054 40.044 1.00 50.55 C ATOM 47 O PRO B 4 12.558 57.811 39.298 1.00 52.94 O ATOM 48 CB PRO B 4 11.139 55.106 38.612 1.00 54.75 C ATOM 49 CG PRO B 4 9.955 54.997 37.654 1.00 54.85 C ATOM 50 CD PRO B 4 9.498 56.448 37.509 1.00 57.20 C ATOM 51 HA PRO B 4 10.197 55.831 40.397 1.00 0.00 H ATOM 52 HB2 PRO B 4 11.292 54.179 39.163 1.00 0.00 H ATOM 53 HB3 PRO B 4 12.036 55.373 38.050 1.00 0.00 H ATOM 54 HG2 PRO B 4 10.248 54.566 36.695 1.00 0.00 H ATOM 55 HG3 PRO B 4 9.163 54.406 38.116 1.00 0.00 H ATOM 56 HD2 PRO B 4 10.073 56.943 36.725 1.00 0.00 H ATOM 57 HD3 PRO B 4 8.433 56.472 37.276 1.00 0.00 H ATOM 58 N HIS B 5 12.320 56.817 41.296 1.00 44.53 N ATOM 59 CA HIS B 5 13.632 57.194 41.807 1.00 39.44 C ATOM 60 C HIS B 5 14.709 56.323 41.142 1.00 37.76 C ATOM 61 O HIS B 5 14.540 55.108 41.057 1.00 37.41 O ATOM 62 CB HIS B 5 13.634 57.031 43.336 1.00 37.95 C ATOM 63 CG HIS B 5 15.015 57.033 43.941 1.00 37.34 C ATOM 64 ND1 HIS B 5 15.843 58.123 44.095 1.00 36.74 N ATOM 65 CD2 HIS B 5 15.763 55.920 44.217 1.00 36.62 C ATOM 66 CE1 HIS B 5 17.052 57.677 44.475 1.00 36.00 C ATOM 67 NE2 HIS B 5 17.053 56.336 44.555 1.00 37.32 N ATOM 68 H HIS B 5 11.822 56.084 41.790 1.00 0.00 H ATOM 69 HA HIS B 5 13.830 58.237 41.560 1.00 0.00 H ATOM 70 HB2 HIS B 5 13.044 57.832 43.782 1.00 0.00 H ATOM 71 HB3 HIS B 5 13.157 56.085 43.593 1.00 0.00 H ATOM 72 HD2 HIS B 5 15.435 54.896 44.104 1.00 0.00 H ATOM 73 HE1 HIS B 5 17.923 58.302 44.638 1.00 0.00 H ATOM 74 HD1 HIS B 5 15.606 59.087 43.922 1.00 0.00 H ATOM 75 N LYS B 6 15.884 56.900 40.871 1.00 35.19 N ATOM 76 CA LYS B 6 17.099 56.178 40.468 1.00 34.89 C ATOM 77 C LYS B 6 18.276 56.525 41.380 1.00 35.42 C ATOM 78 O LYS B 6 18.460 57.692 41.720 1.00 33.52 O ATOM 79 CB LYS B 6 17.444 56.486 39.002 1.00 33.76 C ATOM 80 CG LYS B 6 16.489 55.829 37.991 1.00 37.16 C ATOM 81 CD LYS B 6 16.973 56.135 36.566 1.00 41.93 C ATOM 82 CE LYS B 6 16.404 55.171 35.517 1.00 44.11 C ATOM 83 NZ LYS B 6 17.186 55.281 34.262 1.00 44.74 N ATOM 84 H LYS B 6 15.986 57.886 41.060 1.00 0.00 H ATOM 85 HA LYS B 6 16.930 55.106 40.558 1.00 0.00 H ATOM 86 HB2 LYS B 6 18.451 56.111 38.807 1.00 0.00 H ATOM 87 HB3 LYS B 6 17.452 57.567 38.849 1.00 0.00 H ATOM 88 HG2 LYS B 6 15.473 56.202 38.123 1.00 0.00 H ATOM 89 HG3 LYS B 6 16.495 54.752 38.156 1.00 0.00 H ATOM 90 HD2 LYS B 6 16.711 57.162 36.306 1.00 0.00 H ATOM 91 HD3 LYS B 6 18.061 56.054 36.549 1.00 0.00 H ATOM 92 HE2 LYS B 6 16.485 54.153 35.906 1.00 0.00 H ATOM 93 HE3 LYS B 6 15.345 55.386 35.347 1.00 0.00 H ATOM 94 HZ1 LYS B 6 16.981 54.569 33.566 1.00 0.00 H ATOM 95 HZ2 LYS B 6 17.101 56.185 33.831 1.00 0.00 H ATOM 96 HZ3 LYS B 6 18.185 55.189 34.474 1.00 0.00 H ATOM 97 N SER B 7 19.161 55.551 41.584 1.00 35.60 N ATOM 98 CA SER B 7 20.506 55.720 42.150 1.00 36.93 C ATOM 99 C SER B 7 21.506 54.868 41.367 1.00 37.75 C ATOM 100 O SER B 7 21.554 53.650 41.546 1.00 36.06 O ATOM 101 CB SER B 7 20.549 55.316 43.631 1.00 38.14 C ATOM 102 OG SER B 7 19.882 56.252 44.452 1.00 42.66 O ATOM 103 H SER B 7 18.923 54.634 41.219 1.00 0.00 H ATOM 104 HA SER B 7 20.813 56.764 42.076 1.00 0.00 H ATOM 105 HB2 SER B 7 21.592 55.270 43.949 1.00 0.00 H ATOM 106 HB3 SER B 7 20.105 54.330 43.761 1.00 0.00 H ATOM 107 HG SER B 7 18.920 56.160 44.331 1.00 0.00 H ATOM 108 N SER B 8 22.258 55.488 40.456 1.00 38.27 N ATOM 109 CA SER B 8 23.317 54.829 39.680 1.00 39.28 C ATOM 110 C SER B 8 24.476 54.363 40.580 1.00 40.11 C ATOM 111 O SER B 8 24.692 54.905 41.665 1.00 39.74 O ATOM 112 CB SER B 8 23.809 55.748 38.553 1.00 39.64 C ATOM 113 OG SER B 8 22.723 56.403 37.915 1.00 43.73 O ATOM 114 H SER B 8 22.099 56.465 40.260 1.00 0.00 H ATOM 115 HA SER B 8 22.897 53.949 39.208 1.00 0.00 H ATOM 116 HB2 SER B 8 24.373 55.166 37.822 1.00 0.00 H ATOM 117 HB3 SER B 8 24.465 56.508 38.980 1.00 0.00 H ATOM 118 HG SER B 8 22.384 55.862 37.153 1.00 0.00 H ATOM 119 N LEU B 9 25.178 53.304 40.169 1.00 42.94 N ATOM 120 CA LEU B 9 26.078 52.496 41.002 1.00 46.96 C ATOM 121 C LEU B 9 27.513 52.524 40.430 1.00 51.84 C ATOM 122 O LEU B 9 27.800 51.775 39.495 1.00 53.07 O ATOM 123 CB LEU B 9 25.502 51.066 41.083 1.00 43.61 C ATOM 124 CG LEU B 9 24.159 50.967 41.834 1.00 42.24 C ATOM 125 CD1 LEU B 9 23.451 49.646 41.538 1.00 41.39 C ATOM 126 CD2 LEU B 9 24.361 51.053 43.344 1.00 43.57 C ATOM 127 H LEU B 9 24.943 52.921 39.258 1.00 0.00 H ATOM 128 HA LEU B 9 26.103 52.888 42.017 1.00 0.00 H ATOM 129 HB2 LEU B 9 25.375 50.686 40.069 1.00 0.00 H ATOM 130 HB3 LEU B 9 26.223 50.422 41.581 1.00 0.00 H ATOM 131 HG LEU B 9 23.498 51.771 41.525 1.00 0.00 H ATOM 132 HD21 LEU B 9 25.049 50.275 43.677 1.00 0.00 H ATOM 133 HD22 LEU B 9 24.766 52.030 43.603 1.00 0.00 H ATOM 134 HD23 LEU B 9 23.404 50.927 43.848 1.00 0.00 H ATOM 135 HD11 LEU B 9 23.344 49.516 40.465 1.00 0.00 H ATOM 136 HD12 LEU B 9 24.026 48.822 41.938 1.00 0.00 H ATOM 137 HD13 LEU B 9 22.465 49.643 42.000 1.00 0.00 H ATOM 138 N PRO B 10 28.410 53.410 40.918 1.00 56.02 N ATOM 139 CA PRO B 10 29.699 53.688 40.262 1.00 60.37 C ATOM 140 C PRO B 10 30.679 52.508 40.245 1.00 62.97 C ATOM 141 O PRO B 10 31.405 52.319 39.275 1.00 66.00 O ATOM 142 CB PRO B 10 30.308 54.874 41.021 1.00 60.76 C ATOM 143 CG PRO B 10 29.096 55.568 41.632 1.00 59.86 C ATOM 144 CD PRO B 10 28.175 54.397 41.963 1.00 57.07 C ATOM 145 HA PRO B 10 29.501 53.989 39.232 1.00 0.00 H ATOM 146 HB2 PRO B 10 30.856 55.537 40.355 1.00 0.00 H ATOM 147 HB3 PRO B 10 30.958 54.516 41.820 1.00 0.00 H ATOM 148 HG2 PRO B 10 29.357 56.142 42.523 1.00 0.00 H ATOM 149 HG3 PRO B 10 28.618 56.205 40.885 1.00 0.00 H ATOM 150 HD2 PRO B 10 27.145 54.751 41.980 1.00 0.00 H ATOM 151 HD3 PRO B 10 28.442 53.973 42.932 1.00 0.00 H ATOM 152 N GLU B 11 30.637 51.675 41.285 1.00 63.37 N ATOM 153 CA GLU B 11 31.448 50.452 41.449 1.00 63.90 C ATOM 154 C GLU B 11 30.922 49.266 40.597 1.00 61.44 C ATOM 155 O GLU B 11 31.380 48.131 40.741 1.00 61.73 O ATOM 156 CB GLU B 11 31.440 50.140 42.968 1.00 67.79 C ATOM 157 CG GLU B 11 32.363 49.040 43.533 1.00 74.63 C ATOM 158 CD GLU B 11 33.859 49.292 43.309 1.00 78.05 C ATOM 159 OE1 GLU B 11 34.626 48.472 43.872 1.00 80.23 O ATOM 160 OE2 GLU B 11 34.226 50.419 42.928 1.00 78.42 O ATOM 161 H GLU B 11 29.990 51.879 42.024 1.00 0.00 H ATOM 162 HA GLU B 11 32.472 50.660 41.131 1.00 0.00 H ATOM 163 HB2 GLU B 11 31.704 51.059 43.495 1.00 0.00 H ATOM 164 HB3 GLU B 11 30.418 49.898 43.258 1.00 0.00 H ATOM 165 HG2 GLU B 11 32.078 48.063 43.140 1.00 0.00 H ATOM 166 HG3 GLU B 11 32.181 48.995 44.606 1.00 0.00 H ATOM 167 N GLY B 12 29.795 49.464 39.890 1.00 58.46 N ATOM 168 CA GLY B 12 28.787 48.415 39.739 1.00 52.81 C ATOM 169 C GLY B 12 28.242 48.007 41.112 1.00 50.18 C ATOM 170 O GLY B 12 28.103 48.852 41.996 1.00 49.37 O ATOM 171 H GLY B 12 29.459 50.419 39.826 1.00 0.00 H ATOM 172 HA2 GLY B 12 27.968 48.788 39.134 1.00 0.00 H ATOM 173 HA3 GLY B 12 29.236 47.552 39.249 1.00 0.00 H ATOM 174 N ILE B 13 28.100 46.699 41.354 1.00 46.96 N ATOM 175 CA ILE B 13 28.081 46.136 42.717 1.00 45.26 C ATOM 176 C ILE B 13 28.952 44.879 42.794 1.00 43.86 C ATOM 177 O ILE B 13 29.112 44.148 41.814 1.00 43.35 O ATOM 178 CB ILE B 13 26.654 45.885 43.270 1.00 45.12 C ATOM 179 CG1 ILE B 13 25.984 44.628 42.674 1.00 46.08 C ATOM 180 CG2 ILE B 13 25.765 47.126 43.122 1.00 47.25 C ATOM 181 CD1 ILE B 13 24.586 44.367 43.244 1.00 47.14 C ATOM 182 H ILE B 13 28.301 46.057 40.600 1.00 0.00 H ATOM 183 HA ILE B 13 28.547 46.868 43.380 1.00 0.00 H ATOM 184 HB ILE B 13 26.763 45.705 44.340 1.00 0.00 H ATOM 185 HG12 ILE B 13 26.593 43.756 42.909 1.00 0.00 H ATOM 186 HG13 ILE B 13 25.920 44.718 41.589 1.00 0.00 H ATOM 187 HD11 ILE B 13 24.278 43.358 42.988 1.00 0.00 H ATOM 188 HD12 ILE B 13 23.867 45.068 42.823 1.00 0.00 H ATOM 189 HD13 ILE B 13 24.601 44.467 44.329 1.00 0.00 H ATOM 190 HG21 ILE B 13 24.830 47.006 43.667 1.00 0.00 H ATOM 191 HG22 ILE B 13 25.558 47.293 42.066 1.00 0.00 H ATOM 192 HG23 ILE B 13 26.276 47.996 43.534 1.00 0.00 H ATOM 193 N ARG B 14 29.399 44.550 44.008 1.00 42.71 N ATOM 194 CA ARG B 14 30.186 43.346 44.329 1.00 43.38 C ATOM 195 C ARG B 14 29.538 42.543 45.466 1.00 40.19 C ATOM 196 O ARG B 14 28.826 43.139 46.278 1.00 39.06 O ATOM 197 CB ARG B 14 31.613 43.782 44.704 1.00 48.66 C ATOM 198 CG ARG B 14 32.387 44.395 43.523 1.00 56.11 C ATOM 199 CD ARG B 14 33.866 44.641 43.856 1.00 62.27 C ATOM 200 NE ARG B 14 34.074 45.877 44.623 1.00 70.31 N ATOM 201 CZ ARG B 14 34.066 46.122 45.918 1.00 73.92 C ATOM 202 NH1 ARG B 14 33.804 45.212 46.809 1.00 76.37 N ATOM 203 NH2 ARG B 14 34.346 47.328 46.307 1.00 74.10 N ATOM 204 H ARG B 14 29.181 45.191 44.767 1.00 0.00 H ATOM 205 HA ARG B 14 30.230 42.702 43.453 1.00 0.00 H ATOM 206 HB2 ARG B 14 31.551 44.517 45.505 1.00 0.00 H ATOM 207 HB3 ARG B 14 32.163 42.916 45.075 1.00 0.00 H ATOM 208 HG2 ARG B 14 31.924 45.332 43.202 1.00 0.00 H ATOM 209 HG3 ARG B 14 32.350 43.690 42.693 1.00 0.00 H ATOM 210 HD2 ARG B 14 34.284 43.792 44.397 1.00 0.00 H ATOM 211 HD3 ARG B 14 34.413 44.744 42.914 1.00 0.00 H ATOM 212 HE ARG B 14 34.304 46.705 44.074 1.00 0.00 H ATOM 213 HH11 ARG B 14 33.750 45.462 47.776 1.00 0.00 H ATOM 214 HH12 ARG B 14 33.552 44.302 46.486 1.00 0.00 H ATOM 215 HH21 ARG B 14 34.301 47.666 47.247 1.00 0.00 H ATOM 216 HH22 ARG B 14 34.530 47.984 45.540 1.00 0.00 H ATOM 217 N PRO B 15 29.903 41.264 45.667 1.00 37.84 N ATOM 218 CA PRO B 15 29.610 40.562 46.915 1.00 36.65 C ATOM 219 C PRO B 15 30.113 41.355 48.133 1.00 35.42 C ATOM 220 O PRO B 15 31.191 41.949 48.085 1.00 34.91 O ATOM 221 CB PRO B 15 30.298 39.198 46.791 1.00 36.64 C ATOM 222 CG PRO B 15 30.363 38.980 45.279 1.00 36.11 C ATOM 223 CD PRO B 15 30.629 40.392 44.759 1.00 36.68 C ATOM 224 HA PRO B 15 28.531 40.415 46.987 1.00 0.00 H ATOM 225 HB2 PRO B 15 29.734 38.412 47.294 1.00 0.00 H ATOM 226 HB3 PRO B 15 31.313 39.249 47.190 1.00 0.00 H ATOM 227 HG2 PRO B 15 29.398 38.629 44.911 1.00 0.00 H ATOM 228 HG3 PRO B 15 31.159 38.288 45.001 1.00 0.00 H ATOM 229 HD2 PRO B 15 30.274 40.490 43.735 1.00 0.00 H ATOM 230 HD3 PRO B 15 31.695 40.609 44.815 1.00 0.00 H ATOM 231 N GLY B 16 29.276 41.463 49.165 1.00 32.73 N ATOM 232 CA GLY B 16 29.493 42.318 50.336 1.00 32.85 C ATOM 233 C GLY B 16 28.850 43.711 50.263 1.00 33.38 C ATOM 234 O GLY B 16 28.624 44.297 51.316 1.00 33.03 O ATOM 235 H GLY B 16 28.365 41.020 49.088 1.00 0.00 H ATOM 236 HA2 GLY B 16 30.564 42.459 50.489 1.00 0.00 H ATOM 237 HA3 GLY B 16 29.091 41.816 51.216 1.00 0.00 H ATOM 238 N THR B 17 28.416 44.177 49.083 1.00 33.69 N ATOM 239 CA THR B 17 27.664 45.445 48.946 1.00 31.62 C ATOM 240 C THR B 17 26.293 45.324 49.623 1.00 30.90 C ATOM 241 O THR B 17 25.563 44.361 49.360 1.00 28.78 O ATOM 242 CB THR B 17 27.446 45.844 47.472 1.00 32.07 C ATOM 243 OG1 THR B 17 28.624 45.725 46.706 1.00 34.25 O ATOM 244 CG2 THR B 17 26.957 47.279 47.304 1.00 30.74 C ATOM 245 H THR B 17 28.566 43.612 48.260 1.00 0.00 H ATOM 246 HA THR B 17 28.223 46.245 49.439 1.00 0.00 H ATOM 247 HB THR B 17 26.704 45.176 47.033 1.00 0.00 H ATOM 248 HG1 THR B 17 28.813 44.772 46.681 1.00 0.00 H ATOM 249 HG21 THR B 17 26.876 47.523 46.245 1.00 0.00 H ATOM 250 HG22 THR B 17 27.662 47.965 47.778 1.00 0.00 H ATOM 251 HG23 THR B 17 25.980 47.396 47.768 1.00 0.00 H ATOM 252 N VAL B 18 25.858 46.350 50.358 1.00 28.89 N ATOM 253 CA VAL B 18 24.534 46.403 50.998 1.00 28.14 C ATOM 254 C VAL B 18 23.735 47.590 50.471 1.00 28.75 C ATOM 255 O VAL B 18 23.984 48.741 50.826 1.00 27.12 O ATOM 256 CB VAL B 18 24.640 46.426 52.537 1.00 28.21 C ATOM 257 CG1 VAL B 18 23.247 46.427 53.185 1.00 26.58 C ATOM 258 CG2 VAL B 18 25.417 45.212 53.062 1.00 25.38 C ATOM 259 H VAL B 18 26.498 47.138 50.502 1.00 0.00 H ATOM 260 HA VAL B 18 23.978 45.503 50.740 1.00 0.00 H ATOM 261 HB VAL B 18 25.165 47.325 52.854 1.00 0.00 H ATOM 262 HG21 VAL B 18 26.458 45.277 52.743 1.00 0.00 H ATOM 263 HG22 VAL B 18 24.988 44.292 52.674 1.00 0.00 H ATOM 264 HG23 VAL B 18 25.400 45.198 54.152 1.00 0.00 H ATOM 265 HG11 VAL B 18 22.722 47.352 52.945 1.00 0.00 H ATOM 266 HG12 VAL B 18 22.663 45.579 52.830 1.00 0.00 H ATOM 267 HG13 VAL B 18 23.344 46.370 54.270 1.00 0.00 H ATOM 268 N LEU B 19 22.673 47.307 49.716 1.00 29.41 N ATOM 269 CA LEU B 19 21.653 48.303 49.398 1.00 28.01 C ATOM 270 C LEU B 19 20.629 48.343 50.535 1.00 27.05 C ATOM 271 O LEU B 19 19.948 47.351 50.780 1.00 26.30 O ATOM 272 CB LEU B 19 20.975 47.966 48.061 1.00 31.41 C ATOM 273 CG LEU B 19 21.750 48.397 46.804 1.00 35.15 C ATOM 274 CD1 LEU B 19 23.179 47.864 46.703 1.00 37.14 C ATOM 275 CD2 LEU B 19 20.984 47.885 45.590 1.00 38.38 C ATOM 276 H LEU B 19 22.470 46.338 49.493 1.00 0.00 H ATOM 277 HA LEU B 19 22.114 49.286 49.309 1.00 0.00 H ATOM 278 HB2 LEU B 19 20.785 46.895 48.022 1.00 0.00 H ATOM 279 HB3 LEU B 19 20.008 48.472 48.035 1.00 0.00 H ATOM 280 HG LEU B 19 21.780 49.486 46.762 1.00 0.00 H ATOM 281 HD21 LEU B 19 21.519 48.152 44.681 1.00 0.00 H ATOM 282 HD22 LEU B 19 19.994 48.341 45.572 1.00 0.00 H ATOM 283 HD23 LEU B 19 20.886 46.800 45.639 1.00 0.00 H ATOM 284 HD11 LEU B 19 23.613 48.140 45.742 1.00 0.00 H ATOM 285 HD12 LEU B 19 23.183 46.779 46.809 1.00 0.00 H ATOM 286 HD13 LEU B 19 23.789 48.311 47.486 1.00 0.00 H ATOM 287 N ARG B 20 20.385 49.523 51.103 1.00 26.64 N ATOM 288 CA ARG B 20 19.160 49.830 51.849 1.00 28.88 C ATOM 289 C ARG B 20 18.123 50.461 50.923 1.00 30.06 C ATOM 290 O ARG B 20 18.452 51.424 50.232 1.00 30.50 O ATOM 291 CB ARG B 20 19.480 50.740 53.044 1.00 28.44 C ATOM 292 CG ARG B 20 18.199 51.050 53.830 1.00 32.62 C ATOM 293 CD ARG B 20 18.444 51.774 55.142 1.00 37.24 C ATOM 294 NE ARG B 20 18.583 53.235 55.009 1.00 42.42 N ATOM 295 CZ ARG B 20 18.704 54.052 56.039 1.00 45.82 C ATOM 296 NH1 ARG B 20 18.804 53.621 57.266 1.00 47.84 N ATOM 297 NH2 ARG B 20 18.667 55.339 55.846 1.00 44.91 N ATOM 298 H ARG B 20 20.946 50.304 50.777 1.00 0.00 H ATOM 299 HA ARG B 20 18.741 48.899 52.233 1.00 0.00 H ATOM 300 HB2 ARG B 20 19.929 51.668 52.694 1.00 0.00 H ATOM 301 HB3 ARG B 20 20.187 50.227 53.698 1.00 0.00 H ATOM 302 HG2 ARG B 20 17.519 51.658 53.233 1.00 0.00 H ATOM 303 HG3 ARG B 20 17.703 50.108 54.067 1.00 0.00 H ATOM 304 HD2 ARG B 20 17.549 51.595 55.724 1.00 0.00 H ATOM 305 HD3 ARG B 20 19.298 51.337 55.665 1.00 0.00 H ATOM 306 HE ARG B 20 18.407 53.655 54.110 1.00 0.00 H ATOM 307 HH11 ARG B 20 18.817 54.249 58.039 1.00 0.00 H ATOM 308 HH12 ARG B 20 18.534 52.644 57.457 1.00 0.00 H ATOM 309 HH21 ARG B 20 18.343 55.668 54.939 1.00 0.00 H ATOM 310 HH22 ARG B 20 18.571 55.952 56.630 1.00 0.00 H ATOM 311 N ILE B 21 16.850 50.150 51.170 1.00 31.19 N ATOM 312 CA ILE B 21 15.694 50.952 50.754 1.00 33.95 C ATOM 313 C ILE B 21 14.755 51.129 51.959 1.00 35.12 C ATOM 314 O ILE B 21 14.335 50.150 52.571 1.00 34.51 O ATOM 315 CB ILE B 21 14.970 50.323 49.536 1.00 34.36 C ATOM 316 CG1 ILE B 21 15.909 50.026 48.338 1.00 35.11 C ATOM 317 CG2 ILE B 21 13.854 51.271 49.057 1.00 34.71 C ATOM 318 CD1 ILE B 21 16.492 48.605 48.346 1.00 37.97 C ATOM 319 H ILE B 21 16.674 49.387 51.819 1.00 0.00 H ATOM 320 HA ILE B 21 16.042 51.941 50.456 1.00 0.00 H ATOM 321 HB ILE B 21 14.497 49.390 49.848 1.00 0.00 H ATOM 322 HG12 ILE B 21 16.720 50.753 48.311 1.00 0.00 H ATOM 323 HG13 ILE B 21 15.354 50.129 47.405 1.00 0.00 H ATOM 324 HG21 ILE B 21 13.319 50.824 48.218 1.00 0.00 H ATOM 325 HG22 ILE B 21 14.284 52.221 48.736 1.00 0.00 H ATOM 326 HG23 ILE B 21 13.131 51.456 49.851 1.00 0.00 H ATOM 327 HD11 ILE B 21 17.130 48.476 47.471 1.00 0.00 H ATOM 328 HD12 ILE B 21 15.684 47.875 48.310 1.00 0.00 H ATOM 329 HD13 ILE B 21 17.092 48.425 49.236 1.00 0.00 H ATOM 330 N ARG B 22 14.391 52.367 52.299 1.00 36.87 N ATOM 331 CA ARG B 22 13.368 52.691 53.311 1.00 38.04 C ATOM 332 C ARG B 22 12.193 53.436 52.694 1.00 39.00 C ATOM 333 O ARG B 22 12.410 54.293 51.836 1.00 38.80 O ATOM 334 CB ARG B 22 13.950 53.597 54.395 1.00 38.31 C ATOM 335 CG ARG B 22 14.800 52.936 55.475 1.00 39.28 C ATOM 336 CD ARG B 22 15.209 54.094 56.386 1.00 42.89 C ATOM 337 NE ARG B 22 15.675 53.694 57.711 1.00 46.22 N ATOM 338 CZ ARG B 22 15.656 54.461 58.778 1.00 48.98 C ATOM 339 NH1 ARG B 22 15.342 55.730 58.737 1.00 48.98 N ATOM 340 NH2 ARG B 22 15.996 53.929 59.912 1.00 49.30 N ATOM 341 H ARG B 22 14.793 53.139 51.771 1.00 0.00 H ATOM 342 HA ARG B 22 12.972 51.785 53.774 1.00 0.00 H ATOM 343 HB2 ARG B 22 14.523 54.392 53.914 1.00 0.00 H ATOM 344 HB3 ARG B 22 13.108 54.049 54.921 1.00 0.00 H ATOM 345 HG2 ARG B 22 15.668 52.452 55.035 1.00 0.00 H ATOM 346 HG3 ARG B 22 14.196 52.220 56.030 1.00 0.00 H ATOM 347 HD2 ARG B 22 14.330 54.718 56.537 1.00 0.00 H ATOM 348 HD3 ARG B 22 15.977 54.685 55.890 1.00 0.00 H ATOM 349 HE ARG B 22 15.904 52.717 57.890 1.00 0.00 H ATOM 350 HH11 ARG B 22 14.965 56.130 57.864 1.00 0.00 H ATOM 351 HH12 ARG B 22 15.251 56.263 59.574 1.00 0.00 H ATOM 352 HH21 ARG B 22 16.058 52.899 59.890 1.00 0.00 H ATOM 353 HH22 ARG B 22 15.858 54.402 60.778 1.00 0.00 H ATOM 354 N GLY B 23 11.052 53.401 53.374 1.00 40.74 N ATOM 355 CA GLY B 23 9.973 54.350 53.118 1.00 43.02 C ATOM 356 C GLY B 23 8.720 54.132 53.956 1.00 44.96 C ATOM 357 O GLY B 23 8.720 53.386 54.931 1.00 44.83 O ATOM 358 H GLY B 23 10.959 52.762 54.158 1.00 0.00 H ATOM 359 HA2 GLY B 23 10.327 55.363 53.308 1.00 0.00 H ATOM 360 HA3 GLY B 23 9.694 54.281 52.067 1.00 0.00 H ATOM 361 N LEU B 24 7.645 54.787 53.528 1.00 47.54 N ATOM 362 CA LEU B 24 6.275 54.619 53.999 1.00 50.01 C ATOM 363 C LEU B 24 5.413 54.083 52.846 1.00 51.16 C ATOM 364 O LEU B 24 5.401 54.657 51.752 1.00 51.20 O ATOM 365 CB LEU B 24 5.775 55.980 54.516 1.00 52.17 C ATOM 366 CG LEU B 24 4.383 55.933 55.176 1.00 54.19 C ATOM 367 CD1 LEU B 24 4.522 55.754 56.685 1.00 54.52 C ATOM 368 CD2 LEU B 24 3.620 57.232 54.915 1.00 53.64 C ATOM 369 H LEU B 24 7.780 55.400 52.731 1.00 0.00 H ATOM 370 HA LEU B 24 6.255 53.899 54.818 1.00 0.00 H ATOM 371 HB2 LEU B 24 5.743 56.662 53.669 1.00 0.00 H ATOM 372 HB3 LEU B 24 6.500 56.385 55.225 1.00 0.00 H ATOM 373 HG LEU B 24 3.796 55.109 54.772 1.00 0.00 H ATOM 374 HD21 LEU B 24 2.659 57.195 55.428 1.00 0.00 H ATOM 375 HD22 LEU B 24 3.437 57.336 53.846 1.00 0.00 H ATOM 376 HD23 LEU B 24 4.193 58.083 55.282 1.00 0.00 H ATOM 377 HD11 LEU B 24 5.065 56.592 57.122 1.00 0.00 H ATOM 378 HD12 LEU B 24 5.060 54.832 56.887 1.00 0.00 H ATOM 379 HD13 LEU B 24 3.535 55.691 57.142 1.00 0.00 H ATOM 380 N VAL B 25 4.654 53.019 53.096 1.00 52.30 N ATOM 381 CA VAL B 25 3.648 52.504 52.157 1.00 53.90 C ATOM 382 C VAL B 25 2.404 53.411 52.183 1.00 56.94 C ATOM 383 O VAL B 25 1.839 53.605 53.261 1.00 58.33 O ATOM 384 CB VAL B 25 3.259 51.063 52.527 1.00 52.75 C ATOM 385 CG1 VAL B 25 2.252 50.477 51.535 1.00 51.48 C ATOM 386 CG2 VAL B 25 4.470 50.122 52.562 1.00 52.64 C ATOM 387 H VAL B 25 4.703 52.599 54.021 1.00 0.00 H ATOM 388 HA VAL B 25 4.079 52.483 51.158 1.00 0.00 H ATOM 389 HB VAL B 25 2.805 51.079 53.515 1.00 0.00 H ATOM 390 HG21 VAL B 25 5.143 50.419 53.365 1.00 0.00 H ATOM 391 HG22 VAL B 25 4.142 49.103 52.764 1.00 0.00 H ATOM 392 HG23 VAL B 25 5.002 50.154 51.611 1.00 0.00 H ATOM 393 HG11 VAL B 25 2.688 50.446 50.535 1.00 0.00 H ATOM 394 HG12 VAL B 25 1.989 49.469 51.853 1.00 0.00 H ATOM 395 HG13 VAL B 25 1.343 51.072 51.506 1.00 0.00 H ATOM 396 N PRO B 26 1.857 53.864 51.039 1.00 58.78 N ATOM 397 CA PRO B 26 0.612 54.632 51.009 1.00 59.67 C ATOM 398 C PRO B 26 -0.590 53.863 51.602 1.00 60.13 C ATOM 399 O PRO B 26 -0.743 52.666 51.336 1.00 60.15 O ATOM 400 CB PRO B 26 0.382 55.001 49.539 1.00 60.15 C ATOM 401 CG PRO B 26 1.787 54.971 48.941 1.00 59.75 C ATOM 402 CD PRO B 26 2.461 53.844 49.720 1.00 59.24 C ATOM 403 HA PRO B 26 0.791 55.550 51.565 1.00 0.00 H ATOM 404 HB2 PRO B 26 -0.068 55.989 49.441 1.00 0.00 H ATOM 405 HB3 PRO B 26 -0.237 54.249 49.047 1.00 0.00 H ATOM 406 HG2 PRO B 26 1.767 54.771 47.870 1.00 0.00 H ATOM 407 HG3 PRO B 26 2.294 55.914 49.147 1.00 0.00 H ATOM 408 HD2 PRO B 26 3.536 54.022 49.764 1.00 0.00 H ATOM 409 HD3 PRO B 26 2.250 52.885 49.250 1.00 0.00 H ATOM 410 N PRO B 27 -1.534 54.531 52.295 1.00 60.07 N ATOM 411 CA PRO B 27 -2.751 53.886 52.806 1.00 58.87 C ATOM 412 C PRO B 27 -3.652 53.272 51.720 1.00 59.92 C ATOM 413 O PRO B 27 -4.372 52.316 51.985 1.00 59.58 O ATOM 414 CB PRO B 27 -3.495 54.978 53.582 1.00 58.29 C ATOM 415 CG PRO B 27 -2.377 55.917 54.028 1.00 58.02 C ATOM 416 CD PRO B 27 -1.415 55.875 52.843 1.00 59.24 C ATOM 417 HA PRO B 27 -2.460 53.101 53.503 1.00 0.00 H ATOM 418 HB2 PRO B 27 -4.040 54.566 54.433 1.00 0.00 H ATOM 419 HB3 PRO B 27 -4.175 55.516 52.919 1.00 0.00 H ATOM 420 HG2 PRO B 27 -2.745 56.926 54.216 1.00 0.00 H ATOM 421 HG3 PRO B 27 -1.888 55.512 54.916 1.00 0.00 H ATOM 422 HD2 PRO B 27 -0.404 56.083 53.196 1.00 0.00 H ATOM 423 HD3 PRO B 27 -1.715 56.605 52.090 1.00 0.00 H ATOM 424 N ASN B 28 -3.584 53.783 50.487 1.00 60.82 N ATOM 425 CA ASN B 28 -4.374 53.340 49.332 1.00 62.47 C ATOM 426 C ASN B 28 -3.715 52.228 48.482 1.00 61.67 C ATOM 427 O ASN B 28 -4.230 51.925 47.408 1.00 62.06 O ATOM 428 CB ASN B 28 -4.632 54.587 48.462 1.00 65.43 C ATOM 429 CG ASN B 28 -3.334 55.153 47.904 1.00 68.42 C ATOM 430 OD1 ASN B 28 -2.601 55.820 48.616 1.00 71.17 O ATOM 431 ND2 ASN B 28 -2.887 54.652 46.775 1.00 68.20 N ATOM 432 H ASN B 28 -2.969 54.573 50.336 1.00 0.00 H ATOM 433 HA ASN B 28 -5.331 52.950 49.682 1.00 0.00 H ATOM 434 HB2 ASN B 28 -5.119 55.357 49.059 1.00 0.00 H ATOM 435 HB3 ASN B 28 -5.298 54.330 47.638 1.00 0.00 H ATOM 436 HD21 ASN B 28 -1.928 54.829 46.507 1.00 0.00 H ATOM 437 HD22 ASN B 28 -3.405 53.923 46.310 1.00 0.00 H ATOM 438 N ALA B 29 -2.479 51.828 48.800 1.00 59.93 N ATOM 439 CA ALA B 29 -1.544 51.254 47.825 1.00 56.67 C ATOM 440 C ALA B 29 -2.044 49.980 47.109 1.00 54.70 C ATOM 441 O ALA B 29 -2.575 49.073 47.757 1.00 54.67 O ATOM 442 CB ALA B 29 -0.231 50.981 48.563 1.00 56.01 C ATOM 443 H ALA B 29 -2.077 52.170 49.662 1.00 0.00 H ATOM 444 HA ALA B 29 -1.353 52.005 47.058 1.00 0.00 H ATOM 445 HB1 ALA B 29 0.480 50.504 47.889 1.00 0.00 H ATOM 446 HB2 ALA B 29 0.194 51.917 48.920 1.00 0.00 H ATOM 447 HB3 ALA B 29 -0.410 50.329 49.415 1.00 0.00 H ATOM 448 N SER B 30 -1.669 49.810 45.838 1.00 51.52 N ATOM 449 CA SER B 30 -1.613 48.515 45.146 1.00 49.35 C ATOM 450 C SER B 30 -0.249 47.847 45.343 1.00 48.68 C ATOM 451 O SER B 30 -0.170 46.789 45.972 1.00 47.95 O ATOM 452 CB SER B 30 -1.919 48.685 43.650 1.00 50.71 C ATOM 453 OG SER B 30 -1.698 47.479 42.935 1.00 54.02 O ATOM 454 H SER B 30 -1.157 50.574 45.393 1.00 0.00 H ATOM 455 HA SER B 30 -2.370 47.846 45.557 1.00 0.00 H ATOM 456 HB2 SER B 30 -2.957 48.997 43.525 1.00 0.00 H ATOM 457 HB3 SER B 30 -1.272 49.460 43.235 1.00 0.00 H ATOM 458 HG SER B 30 -2.431 46.845 43.171 1.00 0.00 H ATOM 459 N ARG B 31 0.832 48.437 44.814 1.00 46.50 N ATOM 460 CA ARG B 31 2.132 47.760 44.648 1.00 45.35 C ATOM 461 C ARG B 31 3.286 48.727 44.388 1.00 44.43 C ATOM 462 O ARG B 31 3.120 49.737 43.707 1.00 42.47 O ATOM 463 CB ARG B 31 2.021 46.698 43.532 1.00 44.27 C ATOM 464 CG ARG B 31 1.614 47.228 42.143 1.00 47.22 C ATOM 465 CD ARG B 31 1.245 46.088 41.178 1.00 50.96 C ATOM 466 NE ARG B 31 0.106 45.280 41.669 1.00 53.56 N ATOM 467 CZ ARG B 31 -0.072 43.978 41.522 1.00 56.13 C ATOM 468 NH1 ARG B 31 0.680 43.248 40.747 1.00 55.16 N ATOM 469 NH2 ARG B 31 -0.989 43.351 42.185 1.00 57.22 N ATOM 470 H ARG B 31 0.715 49.373 44.416 1.00 0.00 H ATOM 471 HA ARG B 31 2.366 47.242 45.579 1.00 0.00 H ATOM 472 HB2 ARG B 31 2.972 46.173 43.439 1.00 0.00 H ATOM 473 HB3 ARG B 31 1.279 45.970 43.854 1.00 0.00 H ATOM 474 HG2 ARG B 31 0.764 47.902 42.227 1.00 0.00 H ATOM 475 HG3 ARG B 31 2.446 47.793 41.721 1.00 0.00 H ATOM 476 HD2 ARG B 31 2.126 45.459 41.043 1.00 0.00 H ATOM 477 HD3 ARG B 31 0.981 46.526 40.213 1.00 0.00 H ATOM 478 HE ARG B 31 -0.578 45.768 42.244 1.00 0.00 H ATOM 479 HH11 ARG B 31 1.370 43.698 40.178 1.00 0.00 H ATOM 480 HH12 ARG B 31 0.464 42.274 40.644 1.00 0.00 H ATOM 481 HH21 ARG B 31 -1.490 43.871 42.911 1.00 0.00 H ATOM 482 HH22 ARG B 31 -0.954 42.348 42.320 1.00 0.00 H ATOM 483 N PHE B 32 4.494 48.313 44.764 1.00 43.25 N ATOM 484 CA PHE B 32 5.737 49.046 44.494 1.00 41.52 C ATOM 485 C PHE B 32 6.886 48.094 44.148 1.00 40.76 C ATOM 486 O PHE B 32 6.740 46.876 44.266 1.00 39.22 O ATOM 487 CB PHE B 32 6.061 49.977 45.673 1.00 41.49 C ATOM 488 CG PHE B 32 6.585 49.328 46.940 1.00 43.15 C ATOM 489 CD1 PHE B 32 5.700 48.996 47.983 1.00 44.01 C ATOM 490 CD2 PHE B 32 7.972 49.151 47.117 1.00 44.33 C ATOM 491 CE1 PHE B 32 6.198 48.486 49.196 1.00 44.29 C ATOM 492 CE2 PHE B 32 8.470 48.644 48.330 1.00 43.95 C ATOM 493 CZ PHE B 32 7.583 48.319 49.371 1.00 45.20 C ATOM 494 H PHE B 32 4.575 47.402 45.202 1.00 0.00 H ATOM 495 HA PHE B 32 5.592 49.674 43.616 1.00 0.00 H ATOM 496 HB2 PHE B 32 6.803 50.703 45.350 1.00 0.00 H ATOM 497 HB3 PHE B 32 5.165 50.545 45.914 1.00 0.00 H ATOM 498 HD1 PHE B 32 4.639 49.170 47.865 1.00 0.00 H ATOM 499 HD2 PHE B 32 8.659 49.433 46.331 1.00 0.00 H ATOM 500 HE1 PHE B 32 5.520 48.243 50.001 1.00 0.00 H ATOM 501 HE2 PHE B 32 9.534 48.523 48.470 1.00 0.00 H ATOM 502 HZ PHE B 32 7.968 47.948 50.310 1.00 0.00 H ATOM 503 N HIS B 33 7.997 48.619 43.631 1.00 38.69 N ATOM 504 CA HIS B 33 9.121 47.808 43.159 1.00 37.21 C ATOM 505 C HIS B 33 10.490 48.384 43.527 1.00 34.50 C ATOM 506 O HIS B 33 10.647 49.593 43.692 1.00 32.65 O ATOM 507 CB HIS B 33 9.002 47.568 41.643 1.00 36.69 C ATOM 508 CG HIS B 33 9.317 48.769 40.782 1.00 37.41 C ATOM 509 ND1 HIS B 33 8.384 49.608 40.165 1.00 37.45 N ATOM 510 CD2 HIS B 33 10.569 49.163 40.414 1.00 37.99 C ATOM 511 CE1 HIS B 33 9.104 50.480 39.437 1.00 37.70 C ATOM 512 NE2 HIS B 33 10.417 50.238 39.572 1.00 37.25 N ATOM 513 H HIS B 33 8.040 49.625 43.482 1.00 0.00 H ATOM 514 HA HIS B 33 9.060 46.841 43.651 1.00 0.00 H ATOM 515 HB2 HIS B 33 9.688 46.767 41.363 1.00 0.00 H ATOM 516 HB3 HIS B 33 7.993 47.224 41.413 1.00 0.00 H ATOM 517 HD2 HIS B 33 11.502 48.698 40.698 1.00 0.00 H ATOM 518 HE1 HIS B 33 8.686 51.244 38.795 1.00 0.00 H ATOM 519 HE2 HIS B 33 11.168 50.682 39.028 1.00 0.00 H ATOM 520 N VAL B 34 11.501 47.512 43.477 1.00 32.34 N ATOM 521 CA VAL B 34 12.928 47.849 43.403 1.00 29.56 C ATOM 522 C VAL B 34 13.568 47.018 42.286 1.00 29.97 C ATOM 523 O VAL B 34 13.539 45.787 42.335 1.00 28.95 O ATOM 524 CB VAL B 34 13.657 47.615 44.743 1.00 28.99 C ATOM 525 CG1 VAL B 34 15.131 48.033 44.645 1.00 23.84 C ATOM 526 CG2 VAL B 34 13.005 48.365 45.913 1.00 28.19 C ATOM 527 H VAL B 34 11.257 46.539 43.313 1.00 0.00 H ATOM 528 HA VAL B 34 13.024 48.903 43.154 1.00 0.00 H ATOM 529 HB VAL B 34 13.630 46.553 44.982 1.00 0.00 H ATOM 530 HG21 VAL B 34 13.577 48.203 46.826 1.00 0.00 H ATOM 531 HG22 VAL B 34 11.991 47.999 46.074 1.00 0.00 H ATOM 532 HG23 VAL B 34 12.960 49.430 45.697 1.00 0.00 H ATOM 533 HG11 VAL B 34 15.612 47.924 45.615 1.00 0.00 H ATOM 534 HG12 VAL B 34 15.208 49.070 44.321 1.00 0.00 H ATOM 535 HG13 VAL B 34 15.658 47.399 43.932 1.00 0.00 H ATOM 536 N ASN B 35 14.136 47.676 41.277 1.00 27.48 N ATOM 537 CA ASN B 35 14.893 47.049 40.193 1.00 27.41 C ATOM 538 C ASN B 35 16.399 47.280 40.375 1.00 28.07 C ATOM 539 O ASN B 35 16.817 48.393 40.693 1.00 28.75 O ATOM 540 CB ASN B 35 14.416 47.594 38.835 1.00 28.88 C ATOM 541 CG ASN B 35 12.968 47.279 38.521 1.00 32.51 C ATOM 542 OD1 ASN B 35 12.471 46.198 38.787 1.00 34.89 O ATOM 543 ND2 ASN B 35 12.251 48.171 37.886 1.00 31.99 N ATOM 544 H ASN B 35 14.176 48.690 41.342 1.00 0.00 H ATOM 545 HA ASN B 35 14.715 45.974 40.204 1.00 0.00 H ATOM 546 HB2 ASN B 35 15.021 47.155 38.045 1.00 0.00 H ATOM 547 HB3 ASN B 35 14.558 48.673 38.814 1.00 0.00 H ATOM 548 HD21 ASN B 35 11.270 47.999 37.798 1.00 0.00 H ATOM 549 HD22 ASN B 35 12.583 49.140 37.813 1.00 0.00 H ATOM 550 N LEU B 36 17.213 46.285 40.011 1.00 27.88 N ATOM 551 CA LEU B 36 18.669 46.400 39.860 1.00 30.29 C ATOM 552 C LEU B 36 19.045 46.203 38.388 1.00 32.47 C ATOM 553 O LEU B 36 19.034 45.076 37.882 1.00 32.22 O ATOM 554 CB LEU B 36 19.386 45.408 40.793 1.00 29.47 C ATOM 555 CG LEU B 36 19.052 45.566 42.288 1.00 31.46 C ATOM 556 CD1 LEU B 36 19.945 44.632 43.102 1.00 29.82 C ATOM 557 CD2 LEU B 36 19.285 46.979 42.817 1.00 31.08 C ATOM 558 H LEU B 36 16.782 45.404 39.749 1.00 0.00 H ATOM 559 HA LEU B 36 18.987 47.406 40.136 1.00 0.00 H ATOM 560 HB2 LEU B 36 20.459 45.541 40.661 1.00 0.00 H ATOM 561 HB3 LEU B 36 19.136 44.391 40.488 1.00 0.00 H ATOM 562 HG LEU B 36 18.011 45.292 42.461 1.00 0.00 H ATOM 563 HD21 LEU B 36 19.037 47.008 43.876 1.00 0.00 H ATOM 564 HD22 LEU B 36 20.322 47.275 42.663 1.00 0.00 H ATOM 565 HD23 LEU B 36 18.633 47.685 42.313 1.00 0.00 H ATOM 566 HD11 LEU B 36 19.714 44.729 44.161 1.00 0.00 H ATOM 567 HD12 LEU B 36 20.994 44.884 42.944 1.00 0.00 H ATOM 568 HD13 LEU B 36 19.773 43.600 42.799 1.00 0.00 H ATOM 569 N LEU B 37 19.150 47.320 37.668 1.00 32.92 N ATOM 570 CA LEU B 37 19.164 47.365 36.204 1.00 33.65 C ATOM 571 C LEU B 37 20.580 47.300 35.616 1.00 35.48 C ATOM 572 O LEU B 37 21.556 47.765 36.210 1.00 35.75 O ATOM 573 CB LEU B 37 18.409 48.611 35.711 1.00 31.87 C ATOM 574 CG LEU B 37 16.916 48.668 36.085 1.00 34.41 C ATOM 575 CD1 LEU B 37 16.336 50.033 35.723 1.00 32.07 C ATOM 576 CD2 LEU B 37 16.109 47.592 35.356 1.00 32.84 C ATOM 577 H LEU B 37 19.197 48.201 38.171 1.00 0.00 H ATOM 578 HA LEU B 37 18.635 46.490 35.831 1.00 0.00 H ATOM 579 HB2 LEU B 37 18.900 49.479 36.137 1.00 0.00 H ATOM 580 HB3 LEU B 37 18.497 48.678 34.625 1.00 0.00 H ATOM 581 HG LEU B 37 16.803 48.530 37.160 1.00 0.00 H ATOM 582 HD21 LEU B 37 15.051 47.703 35.590 1.00 0.00 H ATOM 583 HD22 LEU B 37 16.440 46.608 35.675 1.00 0.00 H ATOM 584 HD23 LEU B 37 16.251 47.686 34.278 1.00 0.00 H ATOM 585 HD11 LEU B 37 15.278 50.071 35.984 1.00 0.00 H ATOM 586 HD12 LEU B 37 16.455 50.221 34.655 1.00 0.00 H ATOM 587 HD13 LEU B 37 16.857 50.806 36.285 1.00 0.00 H ATOM 588 N CYS B 38 20.672 46.742 34.409 1.00 36.28 N ATOM 589 CA CYS B 38 21.924 46.486 33.687 1.00 39.78 C ATOM 590 C CYS B 38 22.451 47.675 32.854 1.00 41.11 C ATOM 591 O CYS B 38 23.478 47.564 32.175 1.00 41.93 O ATOM 592 CB CYS B 38 21.717 45.253 32.804 1.00 40.00 C ATOM 593 SG CYS B 38 21.275 43.832 33.843 1.00 44.55 S ATOM 594 H CYS B 38 19.816 46.375 34.003 1.00 0.00 H ATOM 595 HA CYS B 38 22.682 46.251 34.426 1.00 0.00 H ATOM 596 HB2 CYS B 38 22.641 45.043 32.270 1.00 0.00 H ATOM 597 HB3 CYS B 38 20.924 45.445 32.078 1.00 0.00 H ATOM 598 HG CYS B 38 20.007 44.221 34.058 1.00 0.00 H ATOM 599 N GLY B 39 21.673 48.752 32.818 1.00 41.70 N ATOM 600 CA GLY B 39 21.814 49.940 31.984 1.00 44.72 C ATOM 601 C GLY B 39 20.656 50.898 32.285 1.00 48.11 C ATOM 602 O GLY B 39 19.679 50.502 32.925 1.00 47.49 O ATOM 603 H GLY B 39 20.828 48.736 33.373 1.00 0.00 H ATOM 604 HA2 GLY B 39 21.791 49.671 30.929 1.00 0.00 H ATOM 605 HA3 GLY B 39 22.757 50.441 32.199 1.00 0.00 H ATOM 606 N GLU B 40 20.857 52.184 32.015 1.00 51.04 N ATOM 607 CA GLU B 40 19.946 53.277 32.393 1.00 55.20 C ATOM 608 C GLU B 40 18.664 53.336 31.534 1.00 56.54 C ATOM 609 O GLU B 40 17.754 54.123 31.816 1.00 56.52 O ATOM 610 CB GLU B 40 20.726 54.605 32.288 1.00 55.86 C ATOM 611 CG GLU B 40 21.721 54.838 33.446 1.00 61.50 C ATOM 612 CD GLU B 40 21.046 55.195 34.783 1.00 65.88 C ATOM 613 OE1 GLU B 40 19.812 55.426 34.777 1.00 68.14 O ATOM 614 OE2 GLU B 40 21.728 55.150 35.834 1.00 68.92 O ATOM 615 H GLU B 40 21.547 52.382 31.291 1.00 0.00 H ATOM 616 HA GLU B 40 19.624 53.137 33.424 1.00 0.00 H ATOM 617 HB2 GLU B 40 20.031 55.444 32.247 1.00 0.00 H ATOM 618 HB3 GLU B 40 21.279 54.610 31.347 1.00 0.00 H ATOM 619 HG2 GLU B 40 22.345 53.950 33.572 1.00 0.00 H ATOM 620 HG3 GLU B 40 22.376 55.665 33.163 1.00 0.00 H ATOM 621 N GLU B 41 18.624 52.583 30.435 1.00 59.81 N ATOM 622 CA GLU B 41 17.745 52.809 29.289 1.00 63.50 C ATOM 623 C GLU B 41 16.310 52.299 29.521 1.00 63.41 C ATOM 624 O GLU B 41 16.072 51.316 30.225 1.00 63.66 O ATOM 625 CB GLU B 41 18.347 52.219 27.993 1.00 66.29 C ATOM 626 CG GLU B 41 19.871 52.408 27.795 1.00 70.99 C ATOM 627 CD GLU B 41 20.756 51.549 28.724 1.00 74.09 C ATOM 628 OE1 GLU B 41 20.253 50.496 29.182 1.00 75.28 O ATOM 629 OE2 GLU B 41 21.698 52.118 29.317 1.00 75.56 O ATOM 630 H GLU B 41 19.369 51.902 30.316 1.00 0.00 H ATOM 631 HA GLU B 41 17.686 53.888 29.148 1.00 0.00 H ATOM 632 HB2 GLU B 41 18.102 51.163 27.924 1.00 0.00 H ATOM 633 HB3 GLU B 41 17.843 52.703 27.155 1.00 0.00 H ATOM 634 HG2 GLU B 41 20.108 52.143 26.763 1.00 0.00 H ATOM 635 HG3 GLU B 41 20.107 53.467 27.922 1.00 0.00 H ATOM 636 N GLN B 42 15.342 52.903 28.820 1.00 63.97 N ATOM 637 CA GLN B 42 13.890 52.775 29.055 1.00 63.86 C ATOM 638 C GLN B 42 13.258 51.404 28.689 1.00 62.18 C ATOM 639 O GLN B 42 12.049 51.293 28.497 1.00 59.38 O ATOM 640 CB GLN B 42 13.200 53.978 28.374 1.00 67.33 C ATOM 641 CG GLN B 42 11.801 54.311 28.926 1.00 71.49 C ATOM 642 CD GLN B 42 11.270 55.664 28.458 1.00 74.67 C ATOM 643 OE1 GLN B 42 11.881 56.400 27.704 1.00 75.43 O ATOM 644 NE2 GLN B 42 10.098 56.061 28.903 1.00 75.03 N ATOM 645 H GLN B 42 15.627 53.650 28.205 1.00 0.00 H ATOM 646 HA GLN B 42 13.747 52.883 30.131 1.00 0.00 H ATOM 647 HB2 GLN B 42 13.135 53.800 27.299 1.00 0.00 H ATOM 648 HB3 GLN B 42 13.829 54.856 28.533 1.00 0.00 H ATOM 649 HG2 GLN B 42 11.085 53.551 28.620 1.00 0.00 H ATOM 650 HG3 GLN B 42 11.842 54.323 30.015 1.00 0.00 H ATOM 651 HE21 GLN B 42 9.559 55.478 29.515 1.00 0.00 H ATOM 652 HE22 GLN B 42 9.785 56.950 28.560 1.00 0.00 H ATOM 653 N GLY B 43 14.057 50.338 28.625 1.00 61.20 N ATOM 654 CA GLY B 43 13.603 48.959 28.419 1.00 60.20 C ATOM 655 C GLY B 43 14.524 47.874 28.994 1.00 59.58 C ATOM 656 O GLY B 43 14.130 46.707 28.989 1.00 60.73 O ATOM 657 H GLY B 43 15.024 50.498 28.879 1.00 0.00 H ATOM 658 HA2 GLY B 43 12.618 48.833 28.869 1.00 0.00 H ATOM 659 HA3 GLY B 43 13.511 48.784 27.347 1.00 0.00 H ATOM 660 N SER B 44 15.669 48.236 29.578 1.00 57.19 N ATOM 661 CA SER B 44 16.801 47.328 29.822 1.00 53.57 C ATOM 662 C SER B 44 16.621 46.277 30.925 1.00 50.91 C ATOM 663 O SER B 44 15.670 46.299 31.715 1.00 50.01 O ATOM 664 CB SER B 44 18.062 48.164 30.069 1.00 53.80 C ATOM 665 OG SER B 44 18.356 48.820 28.859 1.00 55.03 O ATOM 666 H SER B 44 15.899 49.221 29.629 1.00 0.00 H ATOM 667 HA SER B 44 16.973 46.770 28.899 1.00 0.00 H ATOM 668 HB2 SER B 44 17.887 48.892 30.863 1.00 0.00 H ATOM 669 HB3 SER B 44 18.902 47.524 30.340 1.00 0.00 H ATOM 670 HG SER B 44 19.114 49.447 29.011 1.00 0.00 H ATOM 671 N ASP B 45 17.519 45.290 30.880 1.00 49.48 N ATOM 672 CA ASP B 45 17.566 44.068 31.692 1.00 49.43 C ATOM 673 C ASP B 45 17.713 44.320 33.197 1.00 47.98 C ATOM 674 O ASP B 45 18.349 45.285 33.627 1.00 48.87 O ATOM 675 CB ASP B 45 18.693 43.173 31.163 1.00 50.51 C ATOM 676 CG ASP B 45 18.531 42.886 29.670 1.00 52.59 C ATOM 677 OD1 ASP B 45 17.364 42.701 29.252 1.00 51.72 O ATOM 678 OD2 ASP B 45 19.483 43.261 28.949 1.00 52.14 O ATOM 679 H ASP B 45 18.172 45.315 30.108 1.00 0.00 H ATOM 680 HA ASP B 45 16.648 43.512 31.534 1.00 0.00 H ATOM 681 HB2 ASP B 45 19.645 43.672 31.336 1.00 0.00 H ATOM 682 HB3 ASP B 45 18.711 42.231 31.707 1.00 0.00 H ATOM 683 N ALA B 46 17.237 43.373 34.008 1.00 45.16 N ATOM 684 CA ALA B 46 17.199 43.474 35.465 1.00 42.87 C ATOM 685 C ALA B 46 17.796 42.217 36.108 1.00 43.46 C ATOM 686 O ALA B 46 17.216 41.133 36.011 1.00 43.16 O ATOM 687 CB ALA B 46 15.751 43.722 35.917 1.00 42.34 C ATOM 688 H ALA B 46 16.927 42.503 33.586 1.00 0.00 H ATOM 689 HA ALA B 46 17.792 44.331 35.784 1.00 0.00 H ATOM 690 HB1 ALA B 46 15.732 43.921 36.989 1.00 0.00 H ATOM 691 HB2 ALA B 46 15.336 44.583 35.392 1.00 0.00 H ATOM 692 HB3 ALA B 46 15.132 42.849 35.709 1.00 0.00 H ATOM 693 N ALA B 47 18.889 42.382 36.859 1.00 41.71 N ATOM 694 CA ALA B 47 19.493 41.303 37.645 1.00 38.41 C ATOM 695 C ALA B 47 18.614 40.891 38.835 1.00 37.30 C ATOM 696 O ALA B 47 18.547 39.710 39.166 1.00 36.69 O ATOM 697 CB ALA B 47 20.875 41.761 38.115 1.00 36.75 C ATOM 698 H ALA B 47 19.244 43.324 36.986 1.00 0.00 H ATOM 699 HA ALA B 47 19.611 40.425 37.012 1.00 0.00 H ATOM 700 HB1 ALA B 47 21.370 40.947 38.646 1.00 0.00 H ATOM 701 HB2 ALA B 47 20.770 42.613 38.788 1.00 0.00 H ATOM 702 HB3 ALA B 47 21.484 42.045 37.256 1.00 0.00 H ATOM 703 N LEU B 48 17.831 41.844 39.351 1.00 36.57 N ATOM 704 CA LEU B 48 16.752 41.644 40.310 1.00 34.93 C ATOM 705 C LEU B 48 15.602 42.612 39.996 1.00 33.51 C ATOM 706 O LEU B 48 15.828 43.796 39.751 1.00 32.75 O ATOM 707 CB LEU B 48 17.308 41.829 41.737 1.00 34.91 C ATOM 708 CG LEU B 48 16.258 41.853 42.865 1.00 35.09 C ATOM 709 CD1 LEU B 48 15.516 40.526 43.019 1.00 35.08 C ATOM 710 CD2 LEU B 48 16.941 42.170 44.195 1.00 35.82 C ATOM 711 H LEU B 48 17.932 42.777 38.976 1.00 0.00 H ATOM 712 HA LEU B 48 16.379 40.622 40.213 1.00 0.00 H ATOM 713 HB2 LEU B 48 18.031 41.038 41.939 1.00 0.00 H ATOM 714 HB3 LEU B 48 17.837 42.781 41.764 1.00 0.00 H ATOM 715 HG LEU B 48 15.531 42.641 42.670 1.00 0.00 H ATOM 716 HD21 LEU B 48 16.202 42.186 44.996 1.00 0.00 H ATOM 717 HD22 LEU B 48 17.411 43.151 44.133 1.00 0.00 H ATOM 718 HD23 LEU B 48 17.702 41.422 44.416 1.00 0.00 H ATOM 719 HD11 LEU B 48 14.728 40.646 43.759 1.00 0.00 H ATOM 720 HD12 LEU B 48 15.060 40.221 42.079 1.00 0.00 H ATOM 721 HD13 LEU B 48 16.208 39.749 43.343 1.00 0.00 H ATOM 722 N HIS B 49 14.379 42.115 40.133 1.00 32.93 N ATOM 723 CA HIS B 49 13.116 42.840 40.180 1.00 34.15 C ATOM 724 C HIS B 49 12.355 42.367 41.424 1.00 34.50 C ATOM 725 O HIS B 49 11.887 41.229 41.471 1.00 33.89 O ATOM 726 CB HIS B 49 12.331 42.558 38.891 1.00 34.71 C ATOM 727 CG HIS B 49 10.892 43.011 38.948 1.00 35.85 C ATOM 728 ND1 HIS B 49 10.461 44.313 38.988 1.00 35.34 N ATOM 729 CD2 HIS B 49 9.783 42.220 39.091 1.00 37.80 C ATOM 730 CE1 HIS B 49 9.125 44.313 39.112 1.00 36.60 C ATOM 731 NE2 HIS B 49 8.663 43.054 39.180 1.00 37.18 N ATOM 732 H HIS B 49 14.314 41.110 40.255 1.00 0.00 H ATOM 733 HA HIS B 49 13.291 43.915 40.260 1.00 0.00 H ATOM 734 HB2 HIS B 49 12.827 43.064 38.062 1.00 0.00 H ATOM 735 HB3 HIS B 49 12.342 41.486 38.691 1.00 0.00 H ATOM 736 HD2 HIS B 49 9.776 41.142 39.155 1.00 0.00 H ATOM 737 HE1 HIS B 49 8.507 45.200 39.169 1.00 0.00 H ATOM 738 HD1 HIS B 49 11.067 45.133 38.947 1.00 0.00 H ATOM 739 N PHE B 50 12.411 43.158 42.491 1.00 33.57 N ATOM 740 CA PHE B 50 11.685 42.937 43.741 1.00 35.46 C ATOM 741 C PHE B 50 10.370 43.723 43.715 1.00 36.31 C ATOM 742 O PHE B 50 10.380 44.905 43.379 1.00 33.19 O ATOM 743 CB PHE B 50 12.596 43.385 44.891 1.00 35.80 C ATOM 744 CG PHE B 50 11.966 43.388 46.269 1.00 35.00 C ATOM 745 CD1 PHE B 50 11.593 42.173 46.867 1.00 34.71 C ATOM 746 CD2 PHE B 50 11.811 44.593 46.983 1.00 35.84 C ATOM 747 CE1 PHE B 50 11.127 42.154 48.191 1.00 35.73 C ATOM 748 CE2 PHE B 50 11.316 44.577 48.299 1.00 36.77 C ATOM 749 CZ PHE B 50 10.990 43.354 48.908 1.00 33.93 C ATOM 750 H PHE B 50 12.846 44.069 42.379 1.00 0.00 H ATOM 751 HA PHE B 50 11.458 41.877 43.863 1.00 0.00 H ATOM 752 HB2 PHE B 50 13.467 42.729 44.917 1.00 0.00 H ATOM 753 HB3 PHE B 50 12.957 44.389 44.673 1.00 0.00 H ATOM 754 HD1 PHE B 50 11.685 41.249 46.315 1.00 0.00 H ATOM 755 HD2 PHE B 50 12.090 45.532 46.528 1.00 0.00 H ATOM 756 HE1 PHE B 50 10.879 41.214 48.659 1.00 0.00 H ATOM 757 HE2 PHE B 50 11.208 45.501 48.849 1.00 0.00 H ATOM 758 HZ PHE B 50 10.638 43.331 49.929 1.00 0.00 H ATOM 759 N ASN B 51 9.240 43.097 44.053 1.00 40.08 N ATOM 760 CA ASN B 51 7.916 43.698 43.872 1.00 41.25 C ATOM 761 C ASN B 51 6.902 43.237 44.940 1.00 42.29 C ATOM 762 O ASN B 51 6.196 42.247 44.731 1.00 42.82 O ATOM 763 CB ASN B 51 7.461 43.384 42.429 1.00 41.08 C ATOM 764 CG ASN B 51 6.070 43.873 42.051 1.00 41.34 C ATOM 765 OD1 ASN B 51 5.352 43.233 41.297 1.00 40.13 O ATOM 766 ND2 ASN B 51 5.571 44.948 42.614 1.00 38.57 N ATOM 767 H ASN B 51 9.289 42.102 44.253 1.00 0.00 H ATOM 768 HA ASN B 51 8.004 44.779 43.963 1.00 0.00 H ATOM 769 HB2 ASN B 51 8.164 43.852 41.743 1.00 0.00 H ATOM 770 HB3 ASN B 51 7.494 42.307 42.267 1.00 0.00 H ATOM 771 HD21 ASN B 51 6.107 45.509 43.271 1.00 0.00 H ATOM 772 HD22 ASN B 51 4.630 45.193 42.390 1.00 0.00 H ATOM 773 N PRO B 52 6.739 43.999 46.037 1.00 42.81 N ATOM 774 CA PRO B 52 5.592 43.878 46.936 1.00 44.07 C ATOM 775 C PRO B 52 4.274 44.266 46.252 1.00 45.78 C ATOM 776 O PRO B 52 4.164 45.339 45.651 1.00 44.96 O ATOM 777 CB PRO B 52 5.912 44.771 48.142 1.00 43.74 C ATOM 778 CG PRO B 52 7.441 44.812 48.141 1.00 42.65 C ATOM 779 CD PRO B 52 7.762 44.836 46.650 1.00 42.47 C ATOM 780 HA PRO B 52 5.523 42.845 47.270 1.00 0.00 H ATOM 781 HB2 PRO B 52 5.518 44.356 49.069 1.00 0.00 H ATOM 782 HB3 PRO B 52 5.527 45.780 47.980 1.00 0.00 H ATOM 783 HG2 PRO B 52 7.829 45.690 48.655 1.00 0.00 H ATOM 784 HG3 PRO B 52 7.837 43.901 48.590 1.00 0.00 H ATOM 785 HD2 PRO B 52 8.765 44.445 46.477 1.00 0.00 H ATOM 786 HD3 PRO B 52 7.685 45.857 46.280 1.00 0.00 H ATOM 787 N ARG B 53 3.248 43.422 46.404 1.00 46.91 N ATOM 788 CA ARG B 53 1.914 43.576 45.804 1.00 47.33 C ATOM 789 C ARG B 53 0.851 43.347 46.880 1.00 48.21 C ATOM 790 O ARG B 53 0.631 42.232 47.338 1.00 48.14 O ATOM 791 CB ARG B 53 1.737 42.570 44.657 1.00 44.36 C ATOM 792 CG ARG B 53 2.769 42.602 43.513 1.00 41.55 C ATOM 793 CD ARG B 53 2.612 41.302 42.714 1.00 40.53 C ATOM 794 NE ARG B 53 3.492 41.186 41.544 1.00 41.56 N ATOM 795 CZ ARG B 53 3.640 40.099 40.804 1.00 44.78 C ATOM 796 NH1 ARG B 53 2.903 39.031 40.938 1.00 45.13 N ATOM 797 NH2 ARG B 53 4.572 40.066 39.897 1.00 46.18 N ATOM 798 H ARG B 53 3.409 42.561 46.927 1.00 0.00 H ATOM 799 HA ARG B 53 1.791 44.585 45.419 1.00 0.00 H ATOM 800 HB2 ARG B 53 1.761 41.581 45.102 1.00 0.00 H ATOM 801 HB3 ARG B 53 0.744 42.714 44.234 1.00 0.00 H ATOM 802 HG2 ARG B 53 2.597 43.471 42.879 1.00 0.00 H ATOM 803 HG3 ARG B 53 3.780 42.643 43.912 1.00 0.00 H ATOM 804 HD2 ARG B 53 1.575 41.198 42.396 1.00 0.00 H ATOM 805 HD3 ARG B 53 2.861 40.481 43.381 1.00 0.00 H ATOM 806 HE ARG B 53 4.174 41.923 41.405 1.00 0.00 H ATOM 807 HH11 ARG B 53 2.266 38.940 41.738 1.00 0.00 H ATOM 808 HH12 ARG B 53 3.139 38.217 40.393 1.00 0.00 H ATOM 809 HH21 ARG B 53 4.810 39.163 39.465 1.00 0.00 H ATOM 810 HH22 ARG B 53 5.219 40.829 39.824 1.00 0.00 H ATOM 811 N LEU B 54 0.294 44.433 47.398 1.00 49.83 N ATOM 812 CA LEU B 54 -0.498 44.460 48.633 1.00 52.83 C ATOM 813 C LEU B 54 -1.969 44.065 48.408 1.00 55.87 C ATOM 814 O LEU B 54 -2.760 44.042 49.349 1.00 57.29 O ATOM 815 CB LEU B 54 -0.378 45.875 49.232 1.00 52.05 C ATOM 816 CG LEU B 54 1.072 46.351 49.458 1.00 53.86 C ATOM 817 CD1 LEU B 54 1.079 47.854 49.679 1.00 56.28 C ATOM 818 CD2 LEU B 54 1.726 45.672 50.658 1.00 54.62 C ATOM 819 H LEU B 54 0.453 45.316 46.925 1.00 0.00 H ATOM 820 HA LEU B 54 -0.079 43.741 49.339 1.00 0.00 H ATOM 821 HB2 LEU B 54 -0.914 45.911 50.180 1.00 0.00 H ATOM 822 HB3 LEU B 54 -0.866 46.569 48.547 1.00 0.00 H ATOM 823 HG LEU B 54 1.685 46.163 48.577 1.00 0.00 H ATOM 824 HD21 LEU B 54 2.731 46.069 50.793 1.00 0.00 H ATOM 825 HD22 LEU B 54 1.145 45.845 51.564 1.00 0.00 H ATOM 826 HD23 LEU B 54 1.800 44.601 50.476 1.00 0.00 H ATOM 827 HD11 LEU B 54 0.672 48.336 48.792 1.00 0.00 H ATOM 828 HD12 LEU B 54 0.481 48.114 50.551 1.00 0.00 H ATOM 829 HD13 LEU B 54 2.106 48.193 49.811 1.00 0.00 H ATOM 830 N ASP B 55 -2.406 44.024 47.152 1.00 58.54 N ATOM 831 CA ASP B 55 -3.748 43.647 46.691 1.00 59.11 C ATOM 832 C ASP B 55 -3.803 42.171 46.255 1.00 60.12 C ATOM 833 O ASP B 55 -4.449 41.374 46.934 1.00 62.03 O ATOM 834 CB ASP B 55 -4.193 44.603 45.564 1.00 57.03 C ATOM 835 CG ASP B 55 -3.157 44.867 44.460 1.00 56.36 C ATOM 836 OD1 ASP B 55 -2.060 44.262 44.465 1.00 54.92 O ATOM 837 OD2 ASP B 55 -3.410 45.738 43.607 1.00 55.85 O ATOM 838 H ASP B 55 -1.727 44.190 46.413 1.00 0.00 H ATOM 839 HA ASP B 55 -4.462 43.750 47.510 1.00 0.00 H ATOM 840 HB2 ASP B 55 -5.104 44.211 45.110 1.00 0.00 H ATOM 841 HB3 ASP B 55 -4.441 45.562 46.021 1.00 0.00 H ATOM 842 N THR B 56 -2.893 41.738 45.371 1.00 59.76 N ATOM 843 CA THR B 56 -2.611 40.306 45.123 1.00 59.43 C ATOM 844 C THR B 56 -1.806 39.635 46.249 1.00 60.08 C ATOM 845 O THR B 56 -1.580 38.431 46.192 1.00 59.49 O ATOM 846 CB THR B 56 -2.023 40.031 43.722 1.00 57.41 C ATOM 847 OG1 THR B 56 -0.816 40.711 43.452 1.00 56.73 O ATOM 848 CG2 THR B 56 -3.004 40.442 42.623 1.00 58.05 C ATOM 849 H THR B 56 -2.313 42.433 44.906 1.00 0.00 H ATOM 850 HA THR B 56 -3.570 39.789 45.143 1.00 0.00 H ATOM 851 HB THR B 56 -1.843 38.960 43.624 1.00 0.00 H ATOM 852 HG1 THR B 56 -0.129 40.001 43.396 1.00 0.00 H ATOM 853 HG21 THR B 56 -2.585 40.190 41.649 1.00 0.00 H ATOM 854 HG22 THR B 56 -3.941 39.899 42.750 1.00 0.00 H ATOM 855 HG23 THR B 56 -3.204 41.513 42.668 1.00 0.00 H ATOM 856 N SER B 57 -1.626 40.349 47.369 1.00 60.81 N ATOM 857 CA SER B 57 -1.331 39.827 48.713 1.00 60.69 C ATOM 858 C SER B 57 -0.067 38.961 48.782 1.00 60.63 C ATOM 859 O SER B 57 -0.046 37.882 49.371 1.00 61.91 O ATOM 860 CB SER B 57 -2.578 39.160 49.303 1.00 60.45 C ATOM 861 OG SER B 57 -3.633 40.107 49.387 1.00 59.00 O ATOM 862 H SER B 57 -1.874 41.323 47.317 1.00 0.00 H ATOM 863 HA SER B 57 -1.119 40.690 49.343 1.00 0.00 H ATOM 864 HB2 SER B 57 -2.351 38.797 50.307 1.00 0.00 H ATOM 865 HB3 SER B 57 -2.880 38.316 48.681 1.00 0.00 H ATOM 866 HG SER B 57 -3.923 40.353 48.492 1.00 0.00 H ATOM 867 N GLU B 58 1.006 39.457 48.169 1.00 59.53 N ATOM 868 CA GLU B 58 2.231 38.713 47.877 1.00 57.83 C ATOM 869 C GLU B 58 3.459 39.645 47.807 1.00 55.71 C ATOM 870 O GLU B 58 3.342 40.869 47.705 1.00 56.51 O ATOM 871 CB GLU B 58 2.029 37.944 46.552 1.00 57.63 C ATOM 872 CG GLU B 58 1.813 38.897 45.366 1.00 60.04 C ATOM 873 CD GLU B 58 1.616 38.197 44.022 1.00 60.22 C ATOM 874 OE1 GLU B 58 2.492 37.365 43.709 1.00 60.88 O ATOM 875 OE2 GLU B 58 1.028 38.854 43.129 1.00 61.56 O ATOM 876 H GLU B 58 0.925 40.383 47.757 1.00 0.00 H ATOM 877 HA GLU B 58 2.405 37.986 48.672 1.00 0.00 H ATOM 878 HB2 GLU B 58 1.167 37.282 46.643 1.00 0.00 H ATOM 879 HB3 GLU B 58 2.909 37.329 46.368 1.00 0.00 H ATOM 880 HG2 GLU B 58 0.945 39.527 45.558 1.00 0.00 H ATOM 881 HG3 GLU B 58 2.694 39.535 45.287 1.00 0.00 H ATOM 882 N VAL B 59 4.654 39.059 47.706 1.00 52.44 N ATOM 883 CA VAL B 59 5.864 39.761 47.254 1.00 48.66 C ATOM 884 C VAL B 59 6.592 38.888 46.246 1.00 47.03 C ATOM 885 O VAL B 59 6.910 37.734 46.544 1.00 47.97 O ATOM 886 CB VAL B 59 6.811 40.118 48.411 1.00 47.84 C ATOM 887 CG1 VAL B 59 8.006 40.944 47.927 1.00 45.03 C ATOM 888 CG2 VAL B 59 6.127 40.869 49.559 1.00 44.62 C ATOM 889 H VAL B 59 4.708 38.053 47.779 1.00 0.00 H ATOM 890 HA VAL B 59 5.575 40.684 46.754 1.00 0.00 H ATOM 891 HB VAL B 59 7.209 39.191 48.800 1.00 0.00 H ATOM 892 HG21 VAL B 59 6.857 41.105 50.330 1.00 0.00 H ATOM 893 HG22 VAL B 59 5.666 41.785 49.197 1.00 0.00 H ATOM 894 HG23 VAL B 59 5.361 40.233 49.999 1.00 0.00 H ATOM 895 HG11 VAL B 59 8.591 41.265 48.786 1.00 0.00 H ATOM 896 HG12 VAL B 59 8.644 40.344 47.277 1.00 0.00 H ATOM 897 HG13 VAL B 59 7.665 41.818 47.383 1.00 0.00 H ATOM 898 N VAL B 60 6.858 39.441 45.064 1.00 44.53 N ATOM 899 CA VAL B 60 7.566 38.758 43.980 1.00 42.48 C ATOM 900 C VAL B 60 9.051 39.111 43.939 1.00 40.85 C ATOM 901 O VAL B 60 9.440 40.260 44.148 1.00 40.51 O ATOM 902 CB VAL B 60 6.840 38.971 42.634 1.00 42.55 C ATOM 903 CG1 VAL B 60 7.723 38.868 41.383 1.00 43.16 C ATOM 904 CG2 VAL B 60 5.749 37.901 42.525 1.00 42.54 C ATOM 905 H VAL B 60 6.569 40.402 44.907 1.00 0.00 H ATOM 906 HA VAL B 60 7.526 37.697 44.199 1.00 0.00 H ATOM 907 HB VAL B 60 6.372 39.957 42.625 1.00 0.00 H ATOM 908 HG21 VAL B 60 5.030 38.017 43.336 1.00 0.00 H ATOM 909 HG22 VAL B 60 6.191 36.907 42.568 1.00 0.00 H ATOM 910 HG23 VAL B 60 5.232 37.983 41.577 1.00 0.00 H ATOM 911 HG11 VAL B 60 8.462 39.670 41.376 1.00 0.00 H ATOM 912 HG12 VAL B 60 7.112 38.966 40.487 1.00 0.00 H ATOM 913 HG13 VAL B 60 8.222 37.901 41.363 1.00 0.00 H ATOM 914 N PHE B 61 9.844 38.139 43.489 1.00 39.45 N ATOM 915 CA PHE B 61 11.217 38.304 43.024 1.00 39.38 C ATOM 916 C PHE B 61 11.352 37.749 41.600 1.00 40.32 C ATOM 917 O PHE B 61 10.957 36.614 41.330 1.00 41.56 O ATOM 918 CB PHE B 61 12.182 37.582 43.968 1.00 39.19 C ATOM 919 CG PHE B 61 12.128 38.014 45.418 1.00 37.86 C ATOM 920 CD1 PHE B 61 11.125 37.519 46.276 1.00 36.56 C ATOM 921 CD2 PHE B 61 13.125 38.864 45.926 1.00 36.03 C ATOM 922 CE1 PHE B 61 11.107 37.896 47.629 1.00 37.44 C ATOM 923 CE2 PHE B 61 13.112 39.233 47.279 1.00 34.57 C ATOM 924 CZ PHE B 61 12.102 38.754 48.128 1.00 35.75 C ATOM 925 H PHE B 61 9.410 37.235 43.323 1.00 0.00 H ATOM 926 HA PHE B 61 11.476 39.362 43.016 1.00 0.00 H ATOM 927 HB2 PHE B 61 13.191 37.755 43.597 1.00 0.00 H ATOM 928 HB3 PHE B 61 11.993 36.509 43.925 1.00 0.00 H ATOM 929 HD1 PHE B 61 10.369 36.844 45.898 1.00 0.00 H ATOM 930 HD2 PHE B 61 13.910 39.226 45.280 1.00 0.00 H ATOM 931 HE1 PHE B 61 10.337 37.515 48.285 1.00 0.00 H ATOM 932 HE2 PHE B 61 13.866 39.904 47.657 1.00 0.00 H ATOM 933 HZ PHE B 61 12.100 39.035 49.168 1.00 0.00 H ATOM 934 N ASN B 62 11.960 38.494 40.682 1.00 40.54 N ATOM 935 CA ASN B 62 12.242 38.022 39.326 1.00 39.60 C ATOM 936 C ASN B 62 13.506 38.677 38.742 1.00 40.14 C ATOM 937 O ASN B 62 14.174 39.470 39.397 1.00 39.52 O ATOM 938 CB ASN B 62 10.989 38.246 38.443 1.00 39.94 C ATOM 939 CG ASN B 62 10.927 37.307 37.248 1.00 41.67 C ATOM 940 OD1 ASN B 62 11.771 36.439 37.061 1.00 42.99 O ATOM 941 ND2 ASN B 62 9.948 37.461 36.395 1.00 40.64 N ATOM 942 H ASN B 62 12.245 39.436 40.935 1.00 0.00 H ATOM 943 HA ASN B 62 12.442 36.951 39.382 1.00 0.00 H ATOM 944 HB2 ASN B 62 10.089 38.070 39.033 1.00 0.00 H ATOM 945 HB3 ASN B 62 10.964 39.277 38.091 1.00 0.00 H ATOM 946 HD21 ASN B 62 9.228 38.147 36.545 1.00 0.00 H ATOM 947 HD22 ASN B 62 9.867 36.758 35.664 1.00 0.00 H ATOM 948 N SER B 63 13.828 38.348 37.495 1.00 41.95 N ATOM 949 CA SER B 63 14.843 38.995 36.665 1.00 45.17 C ATOM 950 C SER B 63 14.266 39.256 35.275 1.00 47.10 C ATOM 951 O SER B 63 13.317 38.584 34.861 1.00 45.68 O ATOM 952 CB SER B 63 16.089 38.109 36.563 1.00 45.87 C ATOM 953 OG SER B 63 15.774 36.887 35.902 1.00 50.14 O ATOM 954 H SER B 63 13.220 37.696 37.013 1.00 0.00 H ATOM 955 HA SER B 63 15.132 39.950 37.106 1.00 0.00 H ATOM 956 HB2 SER B 63 16.462 37.912 37.568 1.00 0.00 H ATOM 957 HB3 SER B 63 16.871 38.626 36.005 1.00 0.00 H ATOM 958 HG SER B 63 15.788 37.060 34.950 1.00 0.00 H ATOM 959 N LYS B 64 14.963 40.074 34.491 1.00 49.79 N ATOM 960 CA LYS B 64 14.700 40.296 33.066 1.00 53.38 C ATOM 961 C LYS B 64 16.004 40.135 32.282 1.00 55.21 C ATOM 962 O LYS B 64 17.010 40.679 32.725 1.00 54.62 O ATOM 963 CB LYS B 64 14.074 41.691 32.901 1.00 53.91 C ATOM 964 CG LYS B 64 13.818 42.102 31.440 1.00 56.27 C ATOM 965 CD LYS B 64 13.928 43.616 31.248 1.00 58.04 C ATOM 966 CE LYS B 64 12.639 44.387 31.493 1.00 57.82 C ATOM 967 NZ LYS B 64 12.925 45.828 31.305 1.00 58.93 N ATOM 968 H LYS B 64 15.802 40.502 34.879 1.00 0.00 H ATOM 969 HA LYS B 64 13.998 39.548 32.709 1.00 0.00 H ATOM 970 HB2 LYS B 64 13.130 41.732 33.445 1.00 0.00 H ATOM 971 HB3 LYS B 64 14.752 42.404 33.365 1.00 0.00 H ATOM 972 HG2 LYS B 64 14.563 41.658 30.784 1.00 0.00 H ATOM 973 HG3 LYS B 64 12.836 41.748 31.126 1.00 0.00 H ATOM 974 HD2 LYS B 64 14.269 43.813 30.233 1.00 0.00 H ATOM 975 HD3 LYS B 64 14.681 44.006 31.923 1.00 0.00 H ATOM 976 HE2 LYS B 64 11.879 44.042 30.784 1.00 0.00 H ATOM 977 HE3 LYS B 64 12.293 44.188 32.511 1.00 0.00 H ATOM 978 HZ1 LYS B 64 12.152 46.419 31.562 1.00 0.00 H ATOM 979 HZ2 LYS B 64 13.768 46.095 31.815 1.00 0.00 H ATOM 980 HZ3 LYS B 64 13.179 46.002 30.333 1.00 0.00 H ATOM 981 N GLU B 65 15.969 39.468 31.131 1.00 58.46 N ATOM 982 CA GLU B 65 17.102 39.338 30.201 1.00 61.84 C ATOM 983 C GLU B 65 16.642 39.427 28.736 1.00 62.82 C ATOM 984 O GLU B 65 15.569 38.929 28.384 1.00 63.83 O ATOM 985 CB GLU B 65 17.861 38.025 30.472 1.00 63.39 C ATOM 986 CG GLU B 65 19.148 37.775 29.657 1.00 68.76 C ATOM 987 CD GLU B 65 20.180 38.913 29.726 1.00 71.42 C ATOM 988 OE1 GLU B 65 21.262 38.736 30.334 1.00 71.84 O ATOM 989 OE2 GLU B 65 19.869 40.029 29.252 1.00 73.35 O ATOM 990 H GLU B 65 15.064 39.147 30.794 1.00 0.00 H ATOM 991 HA GLU B 65 17.778 40.174 30.381 1.00 0.00 H ATOM 992 HB2 GLU B 65 17.181 37.192 30.287 1.00 0.00 H ATOM 993 HB3 GLU B 65 18.113 37.993 31.529 1.00 0.00 H ATOM 994 HG2 GLU B 65 19.601 36.846 30.013 1.00 0.00 H ATOM 995 HG3 GLU B 65 18.871 37.616 28.613 1.00 0.00 H ATOM 996 N GLN B 66 17.423 40.110 27.899 1.00 63.47 N ATOM 997 CA GLN B 66 17.077 40.516 26.533 1.00 63.51 C ATOM 998 C GLN B 66 15.679 41.170 26.429 1.00 62.85 C ATOM 999 O GLN B 66 14.860 40.801 25.588 1.00 63.67 O ATOM 1000 CB GLN B 66 17.325 39.345 25.563 1.00 64.65 C ATOM 1001 CG GLN B 66 17.313 39.774 24.080 1.00 69.08 C ATOM 1002 CD GLN B 66 18.595 39.420 23.333 1.00 71.97 C ATOM 1003 OE1 GLN B 66 18.596 38.718 22.338 1.00 74.31 O ATOM 1004 NE2 GLN B 66 19.750 39.858 23.788 1.00 71.20 N ATOM 1005 H GLN B 66 18.296 40.471 28.285 1.00 0.00 H ATOM 1006 HA GLN B 66 17.785 41.304 26.277 1.00 0.00 H ATOM 1007 HB2 GLN B 66 16.561 38.583 25.718 1.00 0.00 H ATOM 1008 HB3 GLN B 66 18.287 38.891 25.805 1.00 0.00 H ATOM 1009 HG2 GLN B 66 16.469 39.298 23.581 1.00 0.00 H ATOM 1010 HG3 GLN B 66 17.177 40.853 24.006 1.00 0.00 H ATOM 1011 HE21 GLN B 66 19.798 40.390 24.638 1.00 0.00 H ATOM 1012 HE22 GLN B 66 20.558 39.560 23.276 1.00 0.00 H ATOM 1013 N GLY B 67 15.322 42.009 27.406 1.00 62.79 N ATOM 1014 CA GLY B 67 13.989 42.612 27.540 1.00 60.76 C ATOM 1015 C GLY B 67 12.897 41.692 28.118 1.00 61.13 C ATOM 1016 O GLY B 67 11.913 42.195 28.663 1.00 60.52 O ATOM 1017 H GLY B 67 16.037 42.251 28.096 1.00 0.00 H ATOM 1018 HA2 GLY B 67 13.655 42.921 26.549 1.00 0.00 H ATOM 1019 HA3 GLY B 67 14.061 43.508 28.150 1.00 0.00 H ATOM 1020 N SER B 68 13.078 40.369 28.068 1.00 60.80 N ATOM 1021 CA SER B 68 12.095 39.350 28.471 1.00 60.80 C ATOM 1022 C SER B 68 12.110 39.047 29.977 1.00 60.38 C ATOM 1023 O SER B 68 13.158 39.091 30.618 1.00 59.42 O ATOM 1024 CB SER B 68 12.322 38.068 27.659 1.00 61.61 C ATOM 1025 OG SER B 68 13.431 37.325 28.123 1.00 64.33 O ATOM 1026 H SER B 68 13.958 40.038 27.686 1.00 0.00 H ATOM 1027 HA SER B 68 11.104 39.726 28.217 1.00 0.00 H ATOM 1028 HB2 SER B 68 11.434 37.439 27.738 1.00 0.00 H ATOM 1029 HB3 SER B 68 12.468 38.323 26.608 1.00 0.00 H ATOM 1030 HG SER B 68 14.225 37.898 28.145 1.00 0.00 H ATOM 1031 N TRP B 69 10.957 38.695 30.559 1.00 59.84 N ATOM 1032 CA TRP B 69 10.859 38.271 31.964 1.00 59.27 C ATOM 1033 C TRP B 69 11.269 36.808 32.176 1.00 57.41 C ATOM 1034 O TRP B 69 10.794 35.915 31.478 1.00 57.96 O ATOM 1035 CB TRP B 69 9.437 38.498 32.493 1.00 61.05 C ATOM 1036 CG TRP B 69 9.068 39.932 32.714 1.00 65.30 C ATOM 1037 CD1 TRP B 69 8.108 40.620 32.054 1.00 65.76 C ATOM 1038 CD2 TRP B 69 9.625 40.862 33.691 1.00 68.08 C ATOM 1039 NE1 TRP B 69 8.036 41.907 32.553 1.00 67.99 N ATOM 1040 CE2 TRP B 69 8.950 42.113 33.567 1.00 68.82 C ATOM 1041 CE3 TRP B 69 10.630 40.770 34.679 1.00 67.53 C ATOM 1042 CZ2 TRP B 69 9.252 43.214 34.380 1.00 67.50 C ATOM 1043 CZ3 TRP B 69 10.950 41.871 35.494 1.00 66.50 C ATOM 1044 CH2 TRP B 69 10.261 43.089 35.353 1.00 66.35 C ATOM 1045 H TRP B 69 10.136 38.607 29.985 1.00 0.00 H ATOM 1046 HA TRP B 69 11.536 38.887 32.557 1.00 0.00 H ATOM 1047 HB2 TRP B 69 9.341 37.991 33.455 1.00 0.00 H ATOM 1048 HB3 TRP B 69 8.721 38.035 31.812 1.00 0.00 H ATOM 1049 HD1 TRP B 69 7.484 40.211 31.268 1.00 0.00 H ATOM 1050 HE3 TRP B 69 11.151 39.834 34.807 1.00 0.00 H ATOM 1051 HZ2 TRP B 69 8.703 44.137 34.277 1.00 0.00 H ATOM 1052 HZ3 TRP B 69 11.723 41.777 36.242 1.00 0.00 H ATOM 1053 HH2 TRP B 69 10.494 43.920 36.005 1.00 0.00 H ATOM 1054 HE1 TRP B 69 7.371 42.592 32.224 1.00 0.00 H ATOM 1055 N GLY B 70 11.965 36.546 33.287 1.00 54.01 N ATOM 1056 CA GLY B 70 12.241 35.196 33.783 1.00 52.38 C ATOM 1057 C GLY B 70 11.102 34.576 34.609 1.00 52.82 C ATOM 1058 O GLY B 70 10.023 35.147 34.775 1.00 51.28 O ATOM 1059 H GLY B 70 12.287 37.330 33.844 1.00 0.00 H ATOM 1060 HA2 GLY B 70 12.446 34.539 32.937 1.00 0.00 H ATOM 1061 HA3 GLY B 70 13.134 35.233 34.404 1.00 0.00 H ATOM 1062 N ARG B 71 11.410 33.444 35.256 1.00 53.33 N ATOM 1063 CA ARG B 71 10.553 32.756 36.241 1.00 55.70 C ATOM 1064 C ARG B 71 10.365 33.621 37.493 1.00 55.11 C ATOM 1065 O ARG B 71 11.297 33.723 38.292 1.00 54.78 O ATOM 1066 CB ARG B 71 11.214 31.391 36.546 1.00 59.00 C ATOM 1067 CG ARG B 71 10.429 30.419 37.451 1.00 64.25 C ATOM 1068 CD ARG B 71 10.499 30.672 38.970 1.00 68.73 C ATOM 1069 NE ARG B 71 11.869 30.648 39.531 1.00 74.41 N ATOM 1070 CZ ARG B 71 12.598 29.596 39.857 1.00 77.60 C ATOM 1071 NH1 ARG B 71 12.244 28.379 39.552 1.00 79.38 N ATOM 1072 NH2 ARG B 71 13.706 29.752 40.518 1.00 77.90 N ATOM 1073 H ARG B 71 12.326 33.059 35.085 1.00 0.00 H ATOM 1074 HA ARG B 71 9.571 32.588 35.796 1.00 0.00 H ATOM 1075 HB2 ARG B 71 12.209 31.550 36.966 1.00 0.00 H ATOM 1076 HB3 ARG B 71 11.353 30.882 35.591 1.00 0.00 H ATOM 1077 HG2 ARG B 71 9.382 30.428 37.144 1.00 0.00 H ATOM 1078 HG3 ARG B 71 10.810 29.415 37.264 1.00 0.00 H ATOM 1079 HD2 ARG B 71 10.053 31.639 39.188 1.00 0.00 H ATOM 1080 HD3 ARG B 71 9.885 29.926 39.478 1.00 0.00 H ATOM 1081 HE ARG B 71 12.231 31.533 39.864 1.00 0.00 H ATOM 1082 HH11 ARG B 71 11.379 28.241 39.065 1.00 0.00 H ATOM 1083 HH12 ARG B 71 12.820 27.604 39.820 1.00 0.00 H ATOM 1084 HH21 ARG B 71 13.914 30.684 40.896 1.00 0.00 H ATOM 1085 HH22 ARG B 71 14.245 28.974 40.839 1.00 0.00 H ATOM 1086 N GLU B 72 9.167 34.158 37.728 1.00 53.53 N ATOM 1087 CA GLU B 72 8.873 34.889 38.971 1.00 53.34 C ATOM 1088 C GLU B 72 8.728 33.942 40.180 1.00 52.89 C ATOM 1089 O GLU B 72 8.134 32.865 40.095 1.00 54.10 O ATOM 1090 CB GLU B 72 7.700 35.884 38.804 1.00 53.65 C ATOM 1091 CG GLU B 72 6.283 35.308 38.959 1.00 53.60 C ATOM 1092 CD GLU B 72 5.151 36.357 38.995 1.00 54.20 C ATOM 1093 OE1 GLU B 72 5.411 37.583 38.987 1.00 52.93 O ATOM 1094 OE2 GLU B 72 4.032 35.936 39.368 1.00 53.24 O ATOM 1095 H GLU B 72 8.442 34.071 37.034 1.00 0.00 H ATOM 1096 HA GLU B 72 9.745 35.510 39.181 1.00 0.00 H ATOM 1097 HB2 GLU B 72 7.779 36.372 37.832 1.00 0.00 H ATOM 1098 HB3 GLU B 72 7.831 36.649 39.564 1.00 0.00 H ATOM 1099 HG2 GLU B 72 6.100 34.604 38.144 1.00 0.00 H ATOM 1100 HG3 GLU B 72 6.238 34.752 39.896 1.00 0.00 H ATOM 1101 N GLU B 73 9.358 34.311 41.291 1.00 51.97 N ATOM 1102 CA GLU B 73 9.309 33.644 42.596 1.00 49.71 C ATOM 1103 C GLU B 73 8.459 34.467 43.569 1.00 50.16 C ATOM 1104 O GLU B 73 8.347 35.680 43.407 1.00 52.07 O ATOM 1105 CB GLU B 73 10.736 33.482 43.151 1.00 46.66 C ATOM 1106 CG GLU B 73 11.569 32.501 42.316 1.00 44.25 C ATOM 1107 CD GLU B 73 13.082 32.675 42.486 1.00 44.09 C ATOM 1108 OE1 GLU B 73 13.546 33.128 43.550 1.00 43.40 O ATOM 1109 OE2 GLU B 73 13.781 32.275 41.514 1.00 43.53 O ATOM 1110 H GLU B 73 9.829 35.211 41.286 1.00 0.00 H ATOM 1111 HA GLU B 73 8.854 32.658 42.494 1.00 0.00 H ATOM 1112 HB2 GLU B 73 10.694 33.120 44.179 1.00 0.00 H ATOM 1113 HB3 GLU B 73 11.218 34.459 43.148 1.00 0.00 H ATOM 1114 HG2 GLU B 73 11.283 31.479 42.575 1.00 0.00 H ATOM 1115 HG3 GLU B 73 11.340 32.647 41.260 1.00 0.00 H ATOM 1116 N ARG B 74 7.952 33.841 44.636 1.00 49.58 N ATOM 1117 CA ARG B 74 7.199 34.495 45.720 1.00 50.87 C ATOM 1118 C ARG B 74 7.867 34.234 47.067 1.00 51.53 C ATOM 1119 O ARG B 74 8.296 33.109 47.316 1.00 52.87 O ATOM 1120 CB ARG B 74 5.737 34.011 45.710 1.00 50.92 C ATOM 1121 CG ARG B 74 4.803 35.019 45.024 1.00 52.03 C ATOM 1122 CD ARG B 74 3.487 34.357 44.583 1.00 53.32 C ATOM 1123 NE ARG B 74 3.642 33.680 43.278 1.00 54.69 N ATOM 1124 CZ ARG B 74 3.588 34.274 42.096 1.00 55.00 C ATOM 1125 NH1 ARG B 74 3.263 35.511 41.921 1.00 56.27 N ATOM 1126 NH2 ARG B 74 3.909 33.656 41.001 1.00 52.88 N ATOM 1127 H ARG B 74 8.202 32.873 44.786 1.00 0.00 H ATOM 1128 HA ARG B 74 7.214 35.573 45.569 1.00 0.00 H ATOM 1129 HB2 ARG B 74 5.385 33.872 46.734 1.00 0.00 H ATOM 1130 HB3 ARG B 74 5.678 33.043 45.208 1.00 0.00 H ATOM 1131 HG2 ARG B 74 4.587 35.823 45.727 1.00 0.00 H ATOM 1132 HG3 ARG B 74 5.295 35.453 44.155 1.00 0.00 H ATOM 1133 HD2 ARG B 74 3.169 33.641 45.343 1.00 0.00 H ATOM 1134 HD3 ARG B 74 2.708 35.116 44.515 1.00 0.00 H ATOM 1135 HE ARG B 74 3.874 32.705 43.289 1.00 0.00 H ATOM 1136 HH11 ARG B 74 3.360 35.897 40.985 1.00 0.00 H ATOM 1137 HH12 ARG B 74 3.001 36.121 42.701 1.00 0.00 H ATOM 1138 HH21 ARG B 74 3.930 34.251 40.171 1.00 0.00 H ATOM 1139 HH22 ARG B 74 4.319 32.746 41.005 1.00 0.00 H ATOM 1140 N GLY B 75 7.958 35.261 47.909 1.00 51.62 N ATOM 1141 CA GLY B 75 8.503 35.140 49.265 1.00 52.50 C ATOM 1142 C GLY B 75 7.469 34.696 50.321 1.00 52.70 C ATOM 1143 O GLY B 75 6.274 34.616 50.016 1.00 53.07 O ATOM 1144 H GLY B 75 7.553 36.148 47.628 1.00 0.00 H ATOM 1145 HA2 GLY B 75 9.316 34.416 49.238 1.00 0.00 H ATOM 1146 HA3 GLY B 75 8.927 36.093 49.572 1.00 0.00 H ATOM 1147 N PRO B 76 7.896 34.408 51.570 1.00 53.96 N ATOM 1148 CA PRO B 76 7.024 33.927 52.653 1.00 53.84 C ATOM 1149 C PRO B 76 6.006 34.967 53.177 1.00 54.59 C ATOM 1150 O PRO B 76 6.190 35.570 54.233 1.00 56.35 O ATOM 1151 CB PRO B 76 7.977 33.414 53.750 1.00 54.17 C ATOM 1152 CG PRO B 76 9.265 33.100 52.997 1.00 53.94 C ATOM 1153 CD PRO B 76 9.291 34.211 51.955 1.00 54.00 C ATOM 1154 HA PRO B 76 6.462 33.074 52.271 1.00 0.00 H ATOM 1155 HB2 PRO B 76 8.196 34.191 54.483 1.00 0.00 H ATOM 1156 HB3 PRO B 76 7.576 32.530 54.248 1.00 0.00 H ATOM 1157 HG2 PRO B 76 10.139 33.137 53.648 1.00 0.00 H ATOM 1158 HG3 PRO B 76 9.184 32.130 52.504 1.00 0.00 H ATOM 1159 HD2 PRO B 76 9.926 33.903 51.126 1.00 0.00 H ATOM 1160 HD3 PRO B 76 9.683 35.124 52.400 1.00 0.00 H ATOM 1161 N GLY B 77 4.903 35.181 52.456 1.00 54.34 N ATOM 1162 CA GLY B 77 3.893 36.185 52.820 1.00 52.58 C ATOM 1163 C GLY B 77 4.366 37.618 52.550 1.00 52.44 C ATOM 1164 O GLY B 77 5.136 37.841 51.619 1.00 54.98 O ATOM 1165 H GLY B 77 4.879 34.787 51.523 1.00 0.00 H ATOM 1166 HA2 GLY B 77 3.653 36.087 53.880 1.00 0.00 H ATOM 1167 HA3 GLY B 77 2.982 36.012 52.247 1.00 0.00 H ATOM 1168 N VAL B 78 3.879 38.607 53.309 1.00 50.26 N ATOM 1169 CA VAL B 78 4.077 40.038 52.997 1.00 48.10 C ATOM 1170 C VAL B 78 4.617 40.818 54.209 1.00 46.88 C ATOM 1171 O VAL B 78 3.828 41.220 55.061 1.00 46.85 O ATOM 1172 CB VAL B 78 2.780 40.674 52.444 1.00 48.52 C ATOM 1173 CG1 VAL B 78 3.047 42.078 51.887 1.00 44.94 C ATOM 1174 CG2 VAL B 78 2.170 39.858 51.301 1.00 48.30 C ATOM 1175 H VAL B 78 3.260 38.374 54.072 1.00 0.00 H ATOM 1176 HA VAL B 78 4.808 40.129 52.197 1.00 0.00 H ATOM 1177 HB VAL B 78 2.036 40.744 53.238 1.00 0.00 H ATOM 1178 HG21 VAL B 78 1.326 40.398 50.872 1.00 0.00 H ATOM 1179 HG22 VAL B 78 1.803 38.900 51.665 1.00 0.00 H ATOM 1180 HG23 VAL B 78 2.920 39.690 50.530 1.00 0.00 H ATOM 1181 HG11 VAL B 78 3.437 42.721 52.669 1.00 0.00 H ATOM 1182 HG12 VAL B 78 3.754 42.033 51.059 1.00 0.00 H ATOM 1183 HG13 VAL B 78 2.111 42.511 51.537 1.00 0.00 H ATOM 1184 N PRO B 79 5.914 41.187 54.228 1.00 46.98 N ATOM 1185 CA PRO B 79 6.518 42.056 55.255 1.00 47.06 C ATOM 1186 C PRO B 79 6.109 43.546 55.200 1.00 47.67 C ATOM 1187 O PRO B 79 6.895 44.418 55.565 1.00 48.78 O ATOM 1188 CB PRO B 79 8.035 41.886 55.092 1.00 46.19 C ATOM 1189 CG PRO B 79 8.186 40.533 54.413 1.00 46.67 C ATOM 1190 CD PRO B 79 6.975 40.520 53.486 1.00 46.57 C ATOM 1191 HA PRO B 79 6.229 41.669 56.233 1.00 0.00 H ATOM 1192 HB2 PRO B 79 8.422 42.648 54.416 1.00 0.00 H ATOM 1193 HB3 PRO B 79 8.552 41.921 56.051 1.00 0.00 H ATOM 1194 HG2 PRO B 79 9.122 40.467 53.859 1.00 0.00 H ATOM 1195 HG3 PRO B 79 8.104 39.732 55.149 1.00 0.00 H ATOM 1196 HD2 PRO B 79 6.715 39.491 53.239 1.00 0.00 H ATOM 1197 HD3 PRO B 79 7.199 41.084 52.581 1.00 0.00 H ATOM 1198 N PHE B 80 4.951 43.866 54.617 1.00 47.64 N ATOM 1199 CA PHE B 80 4.533 45.226 54.266 1.00 47.83 C ATOM 1200 C PHE B 80 3.030 45.414 54.501 1.00 50.57 C ATOM 1201 O PHE B 80 2.224 44.547 54.173 1.00 50.20 O ATOM 1202 CB PHE B 80 4.886 45.539 52.801 1.00 44.36 C ATOM 1203 CG PHE B 80 6.347 45.369 52.431 1.00 42.55 C ATOM 1204 CD1 PHE B 80 7.268 46.401 52.697 1.00 43.01 C ATOM 1205 CD2 PHE B 80 6.789 44.174 51.831 1.00 43.97 C ATOM 1206 CE1 PHE B 80 8.622 46.240 52.357 1.00 43.06 C ATOM 1207 CE2 PHE B 80 8.144 44.011 51.497 1.00 44.01 C ATOM 1208 CZ PHE B 80 9.059 45.048 51.753 1.00 42.98 C ATOM 1209 H PHE B 80 4.283 43.120 54.466 1.00 0.00 H ATOM 1210 HA PHE B 80 5.066 45.933 54.903 1.00 0.00 H ATOM 1211 HB2 PHE B 80 4.291 44.895 52.154 1.00 0.00 H ATOM 1212 HB3 PHE B 80 4.596 46.568 52.587 1.00 0.00 H ATOM 1213 HD1 PHE B 80 6.942 47.313 53.176 1.00 0.00 H ATOM 1214 HD2 PHE B 80 6.088 43.375 51.641 1.00 0.00 H ATOM 1215 HE1 PHE B 80 9.329 47.029 52.575 1.00 0.00 H ATOM 1216 HE2 PHE B 80 8.483 43.086 51.052 1.00 0.00 H ATOM 1217 HZ PHE B 80 10.103 44.924 51.510 1.00 0.00 H ATOM 1218 N GLN B 81 2.639 46.613 54.930 1.00 54.01 N ATOM 1219 CA GLN B 81 1.262 46.958 55.288 1.00 57.63 C ATOM 1220 C GLN B 81 0.949 48.376 54.796 1.00 56.90 C ATOM 1221 O GLN B 81 1.790 49.268 54.879 1.00 56.20 O ATOM 1222 CB GLN B 81 1.113 46.782 56.812 1.00 63.57 C ATOM 1223 CG GLN B 81 -0.197 47.284 57.457 1.00 72.35 C ATOM 1224 CD GLN B 81 0.088 48.082 58.726 1.00 77.81 C ATOM 1225 OE1 GLN B 81 0.715 47.595 59.650 1.00 79.25 O ATOM 1226 NE2 GLN B 81 -0.161 49.372 58.729 1.00 80.01 N ATOM 1227 H GLN B 81 3.345 47.309 55.121 1.00 0.00 H ATOM 1228 HA GLN B 81 0.573 46.269 54.797 1.00 0.00 H ATOM 1229 HB2 GLN B 81 1.230 45.725 57.055 1.00 0.00 H ATOM 1230 HB3 GLN B 81 1.950 47.300 57.281 1.00 0.00 H ATOM 1231 HG2 GLN B 81 -0.768 47.904 56.773 1.00 0.00 H ATOM 1232 HG3 GLN B 81 -0.820 46.428 57.718 1.00 0.00 H ATOM 1233 HE21 GLN B 81 0.321 49.898 59.453 1.00 0.00 H ATOM 1234 HE22 GLN B 81 -0.544 49.833 57.912 1.00 0.00 H ATOM 1235 N ARG B 82 -0.273 48.604 54.300 1.00 58.25 N ATOM 1236 CA ARG B 82 -0.757 49.939 53.909 1.00 57.71 C ATOM 1237 C ARG B 82 -0.648 50.925 55.079 1.00 56.46 C ATOM 1238 O ARG B 82 -1.014 50.590 56.205 1.00 55.50 O ATOM 1239 CB ARG B 82 -2.201 49.842 53.391 1.00 59.98 C ATOM 1240 CG ARG B 82 -2.267 49.144 52.024 1.00 61.02 C ATOM 1241 CD ARG B 82 -3.714 48.969 51.549 1.00 63.48 C ATOM 1242 NE ARG B 82 -3.755 48.352 50.214 1.00 66.23 N ATOM 1243 CZ ARG B 82 -3.824 47.073 49.906 1.00 67.16 C ATOM 1244 NH1 ARG B 82 -3.936 46.125 50.790 1.00 68.34 N ATOM 1245 NH2 ARG B 82 -3.698 46.713 48.668 1.00 66.33 N ATOM 1246 H ARG B 82 -0.932 47.841 54.315 1.00 0.00 H ATOM 1247 HA ARG B 82 -0.126 50.325 53.108 1.00 0.00 H ATOM 1248 HB2 ARG B 82 -2.607 50.846 53.285 1.00 0.00 H ATOM 1249 HB3 ARG B 82 -2.813 49.301 54.116 1.00 0.00 H ATOM 1250 HG2 ARG B 82 -1.723 49.746 51.296 1.00 0.00 H ATOM 1251 HG3 ARG B 82 -1.797 48.162 52.087 1.00 0.00 H ATOM 1252 HD2 ARG B 82 -4.192 49.946 51.494 1.00 0.00 H ATOM 1253 HD3 ARG B 82 -4.269 48.366 52.270 1.00 0.00 H ATOM 1254 HE ARG B 82 -3.571 48.960 49.421 1.00 0.00 H ATOM 1255 HH11 ARG B 82 -4.028 46.350 51.758 1.00 0.00 H ATOM 1256 HH12 ARG B 82 -3.783 45.168 50.481 1.00 0.00 H ATOM 1257 HH21 ARG B 82 -3.422 47.427 47.998 1.00 0.00 H ATOM 1258 HH22 ARG B 82 -3.623 45.734 48.448 1.00 0.00 H ATOM 1259 N GLY B 83 -0.106 52.112 54.814 1.00 55.33 N ATOM 1260 CA GLY B 83 0.179 53.146 55.816 1.00 54.96 C ATOM 1261 C GLY B 83 1.464 52.950 56.636 1.00 55.48 C ATOM 1262 O GLY B 83 1.783 53.826 57.435 1.00 56.98 O ATOM 1263 H GLY B 83 0.251 52.283 53.884 1.00 0.00 H ATOM 1264 HA2 GLY B 83 -0.652 53.201 56.519 1.00 0.00 H ATOM 1265 HA3 GLY B 83 0.259 54.109 55.312 1.00 0.00 H ATOM 1266 N GLN B 84 2.180 51.828 56.496 1.00 54.65 N ATOM 1267 CA GLN B 84 3.266 51.455 57.412 1.00 51.95 C ATOM 1268 C GLN B 84 4.652 51.957 56.953 1.00 49.58 C ATOM 1269 O GLN B 84 4.964 51.864 55.760 1.00 48.26 O ATOM 1270 CB GLN B 84 3.256 49.927 57.597 1.00 53.77 C ATOM 1271 CG GLN B 84 3.859 49.425 58.920 1.00 59.85 C ATOM 1272 CD GLN B 84 3.027 49.755 60.162 1.00 62.04 C ATOM 1273 OE1 GLN B 84 2.080 50.528 60.152 1.00 64.02 O ATOM 1274 NE2 GLN B 84 3.376 49.210 61.304 1.00 63.88 N ATOM 1275 H GLN B 84 1.897 51.139 55.813 1.00 0.00 H ATOM 1276 HA GLN B 84 3.030 51.904 58.374 1.00 0.00 H ATOM 1277 HB2 GLN B 84 3.799 49.469 56.769 1.00 0.00 H ATOM 1278 HB3 GLN B 84 2.229 49.574 57.549 1.00 0.00 H ATOM 1279 HG2 GLN B 84 4.864 49.823 59.048 1.00 0.00 H ATOM 1280 HG3 GLN B 84 3.944 48.340 58.858 1.00 0.00 H ATOM 1281 HE21 GLN B 84 4.092 48.508 61.328 1.00 0.00 H ATOM 1282 HE22 GLN B 84 2.741 49.362 62.066 1.00 0.00 H ATOM 1283 N PRO B 85 5.544 52.352 57.883 1.00 47.47 N ATOM 1284 CA PRO B 85 6.979 52.490 57.622 1.00 46.71 C ATOM 1285 C PRO B 85 7.661 51.138 57.354 1.00 45.67 C ATOM 1286 O PRO B 85 7.232 50.117 57.891 1.00 45.31 O ATOM 1287 CB PRO B 85 7.574 53.159 58.870 1.00 45.53 C ATOM 1288 CG PRO B 85 6.373 53.806 59.556 1.00 45.45 C ATOM 1289 CD PRO B 85 5.237 52.845 59.218 1.00 45.45 C ATOM 1290 HA PRO B 85 7.117 53.147 56.767 1.00 0.00 H ATOM 1291 HB2 PRO B 85 7.999 52.405 59.536 1.00 0.00 H ATOM 1292 HB3 PRO B 85 8.331 53.897 58.606 1.00 0.00 H ATOM 1293 HG2 PRO B 85 6.176 54.782 59.112 1.00 0.00 H ATOM 1294 HG3 PRO B 85 6.519 53.895 60.633 1.00 0.00 H ATOM 1295 HD2 PRO B 85 5.228 52.015 59.925 1.00 0.00 H ATOM 1296 HD3 PRO B 85 4.286 53.379 59.245 1.00 0.00 H ATOM 1297 N PHE B 86 8.825 51.151 56.700 1.00 44.09 N ATOM 1298 CA PHE B 86 9.682 49.971 56.529 1.00 41.59 C ATOM 1299 C PHE B 86 11.174 50.314 56.380 1.00 40.70 C ATOM 1300 O PHE B 86 11.539 51.366 55.849 1.00 40.80 O ATOM 1301 CB PHE B 86 9.196 49.143 55.326 1.00 39.16 C ATOM 1302 CG PHE B 86 9.371 49.805 53.969 1.00 38.17 C ATOM 1303 CD1 PHE B 86 10.605 49.727 53.296 1.00 38.74 C ATOM 1304 CD2 PHE B 86 8.297 50.489 53.371 1.00 38.29 C ATOM 1305 CE1 PHE B 86 10.758 50.295 52.021 1.00 38.30 C ATOM 1306 CE2 PHE B 86 8.447 51.062 52.096 1.00 40.17 C ATOM 1307 CZ PHE B 86 9.676 50.957 51.419 1.00 38.74 C ATOM 1308 H PHE B 86 9.113 52.011 56.244 1.00 0.00 H ATOM 1309 HA PHE B 86 9.583 49.349 57.421 1.00 0.00 H ATOM 1310 HB2 PHE B 86 8.143 48.896 55.469 1.00 0.00 H ATOM 1311 HB3 PHE B 86 9.737 48.196 55.316 1.00 0.00 H ATOM 1312 HD1 PHE B 86 11.445 49.241 53.766 1.00 0.00 H ATOM 1313 HD2 PHE B 86 7.360 50.579 53.901 1.00 0.00 H ATOM 1314 HE1 PHE B 86 11.708 50.222 51.511 1.00 0.00 H ATOM 1315 HE2 PHE B 86 7.615 51.577 51.638 1.00 0.00 H ATOM 1316 HZ PHE B 86 9.794 51.391 50.439 1.00 0.00 H ATOM 1317 N GLU B 87 12.014 49.302 56.616 1.00 39.30 N ATOM 1318 CA GLU B 87 13.444 49.279 56.291 1.00 38.35 C ATOM 1319 C GLU B 87 13.806 47.921 55.660 1.00 37.81 C ATOM 1320 O GLU B 87 13.550 46.865 56.244 1.00 39.05 O ATOM 1321 CB GLU B 87 14.258 49.626 57.557 1.00 38.72 C ATOM 1322 CG GLU B 87 15.777 49.796 57.323 1.00 42.66 C ATOM 1323 CD GLU B 87 16.495 50.695 58.365 1.00 46.28 C ATOM 1324 OE1 GLU B 87 17.517 51.297 57.958 1.00 51.55 O ATOM 1325 OE2 GLU B 87 15.794 51.315 59.193 1.00 48.67 O ATOM 1326 H GLU B 87 11.635 48.446 56.993 1.00 0.00 H ATOM 1327 HA GLU B 87 13.648 50.049 55.548 1.00 0.00 H ATOM 1328 HB2 GLU B 87 14.097 48.865 58.321 1.00 0.00 H ATOM 1329 HB3 GLU B 87 13.848 50.566 57.927 1.00 0.00 H ATOM 1330 HG2 GLU B 87 15.907 50.238 56.333 1.00 0.00 H ATOM 1331 HG3 GLU B 87 16.245 48.809 57.305 1.00 0.00 H ATOM 1332 N VAL B 88 14.190 47.955 54.379 1.00 35.62 N ATOM 1333 CA VAL B 88 14.597 46.802 53.557 1.00 33.72 C ATOM 1334 C VAL B 88 16.110 46.848 53.358 1.00 32.96 C ATOM 1335 O VAL B 88 16.632 47.888 52.948 1.00 32.77 O ATOM 1336 CB VAL B 88 13.887 46.815 52.180 1.00 34.03 C ATOM 1337 CG1 VAL B 88 14.402 45.748 51.202 1.00 34.79 C ATOM 1338 CG2 VAL B 88 12.375 46.607 52.304 1.00 33.85 C ATOM 1339 H VAL B 88 14.299 48.862 53.937 1.00 0.00 H ATOM 1340 HA VAL B 88 14.338 45.879 54.072 1.00 0.00 H ATOM 1341 HB VAL B 88 14.050 47.783 51.711 1.00 0.00 H ATOM 1342 HG11 VAL B 88 13.805 45.755 50.291 1.00 0.00 H ATOM 1343 HG12 VAL B 88 15.433 45.963 50.926 1.00 0.00 H ATOM 1344 HG13 VAL B 88 14.349 44.760 51.660 1.00 0.00 H ATOM 1345 HG21 VAL B 88 11.963 47.267 53.060 1.00 0.00 H ATOM 1346 HG22 VAL B 88 11.894 46.820 51.350 1.00 0.00 H ATOM 1347 HG23 VAL B 88 12.166 45.584 52.594 1.00 0.00 H ATOM 1348 N LEU B 89 16.770 45.690 53.414 1.00 30.92 N ATOM 1349 CA LEU B 89 18.104 45.485 52.843 1.00 29.77 C ATOM 1350 C LEU B 89 18.037 44.521 51.652 1.00 29.15 C ATOM 1351 O LEU B 89 17.384 43.479 51.715 1.00 29.18 O ATOM 1352 CB LEU B 89 19.120 44.997 53.894 1.00 30.02 C ATOM 1353 CG LEU B 89 19.155 45.776 55.223 1.00 32.19 C ATOM 1354 CD1 LEU B 89 20.153 45.107 56.168 1.00 31.18 C ATOM 1355 CD2 LEU B 89 19.578 47.234 55.029 1.00 29.98 C ATOM 1356 H LEU B 89 16.237 44.861 53.663 1.00 0.00 H ATOM 1357 HA LEU B 89 18.470 46.439 52.469 1.00 0.00 H ATOM 1358 HB2 LEU B 89 18.912 43.952 54.111 1.00 0.00 H ATOM 1359 HB3 LEU B 89 20.113 45.036 53.445 1.00 0.00 H ATOM 1360 HG LEU B 89 18.172 45.749 55.693 1.00 0.00 H ATOM 1361 HD11 LEU B 89 20.155 45.629 57.126 1.00 0.00 H ATOM 1362 HD12 LEU B 89 19.855 44.073 56.346 1.00 0.00 H ATOM 1363 HD13 LEU B 89 21.156 45.130 55.742 1.00 0.00 H ATOM 1364 HD21 LEU B 89 20.552 47.282 54.542 1.00 0.00 H ATOM 1365 HD22 LEU B 89 19.632 47.727 56.000 1.00 0.00 H ATOM 1366 HD23 LEU B 89 18.840 47.753 54.423 1.00 0.00 H ATOM 1367 N ILE B 90 18.834 44.802 50.625 1.00 27.24 N ATOM 1368 CA ILE B 90 19.149 43.911 49.507 1.00 28.33 C ATOM 1369 C ILE B 90 20.672 43.728 49.501 1.00 29.35 C ATOM 1370 O ILE B 90 21.425 44.587 49.041 1.00 29.90 O ATOM 1371 CB ILE B 90 18.564 44.455 48.181 1.00 29.76 C ATOM 1372 CG1 ILE B 90 17.017 44.495 48.246 1.00 29.98 C ATOM 1373 CG2 ILE B 90 19.038 43.597 46.995 1.00 25.24 C ATOM 1374 CD1 ILE B 90 16.336 45.100 47.010 1.00 33.18 C ATOM 1375 H ILE B 90 19.346 45.678 50.669 1.00 0.00 H ATOM 1376 HA ILE B 90 18.703 42.932 49.687 1.00 0.00 H ATOM 1377 HB ILE B 90 18.925 45.474 48.032 1.00 0.00 H ATOM 1378 HG12 ILE B 90 16.716 45.102 49.098 1.00 0.00 H ATOM 1379 HG13 ILE B 90 16.632 43.486 48.401 1.00 0.00 H ATOM 1380 HG21 ILE B 90 18.629 43.984 46.065 1.00 0.00 H ATOM 1381 HG22 ILE B 90 20.123 43.642 46.908 1.00 0.00 H ATOM 1382 HG23 ILE B 90 18.720 42.563 47.125 1.00 0.00 H ATOM 1383 HD11 ILE B 90 15.279 45.260 47.221 1.00 0.00 H ATOM 1384 HD12 ILE B 90 16.799 46.055 46.762 1.00 0.00 H ATOM 1385 HD13 ILE B 90 16.417 44.427 46.158 1.00 0.00 H ATOM 1386 N ILE B 91 21.126 42.696 50.210 1.00 26.80 N ATOM 1387 CA ILE B 91 22.544 42.377 50.400 1.00 28.30 C ATOM 1388 C ILE B 91 23.034 41.576 49.189 1.00 29.31 C ATOM 1389 O ILE B 91 22.493 40.506 48.894 1.00 31.83 O ATOM 1390 CB ILE B 91 22.737 41.602 51.726 1.00 27.62 C ATOM 1391 CG1 ILE B 91 22.279 42.437 52.948 1.00 26.52 C ATOM 1392 CG2 ILE B 91 24.200 41.144 51.888 1.00 27.60 C ATOM 1393 CD1 ILE B 91 22.083 41.609 54.224 1.00 26.60 C ATOM 1394 H ILE B 91 20.443 42.046 50.589 1.00 0.00 H ATOM 1395 HA ILE B 91 23.120 43.302 50.459 1.00 0.00 H ATOM 1396 HB ILE B 91 22.110 40.713 51.681 1.00 0.00 H ATOM 1397 HG12 ILE B 91 23.001 43.227 53.145 1.00 0.00 H ATOM 1398 HG13 ILE B 91 21.320 42.909 52.736 1.00 0.00 H ATOM 1399 HG21 ILE B 91 24.477 40.452 51.093 1.00 0.00 H ATOM 1400 HG22 ILE B 91 24.867 42.007 51.850 1.00 0.00 H ATOM 1401 HG23 ILE B 91 24.339 40.634 52.839 1.00 0.00 H ATOM 1402 HD11 ILE B 91 21.663 42.246 55.003 1.00 0.00 H ATOM 1403 HD12 ILE B 91 23.035 41.214 54.577 1.00 0.00 H ATOM 1404 HD13 ILE B 91 21.393 40.786 54.032 1.00 0.00 H ATOM 1405 N ALA B 92 24.084 42.042 48.516 1.00 28.43 N ATOM 1406 CA ALA B 92 24.764 41.281 47.473 1.00 28.66 C ATOM 1407 C ALA B 92 25.676 40.206 48.092 1.00 30.93 C ATOM 1408 O ALA B 92 26.606 40.527 48.832 1.00 32.43 O ATOM 1409 CB ALA B 92 25.550 42.257 46.589 1.00 26.26 C ATOM 1410 H ALA B 92 24.527 42.901 48.835 1.00 0.00 H ATOM 1411 HA ALA B 92 24.017 40.788 46.848 1.00 0.00 H ATOM 1412 HB1 ALA B 92 26.039 41.714 45.779 1.00 0.00 H ATOM 1413 HB2 ALA B 92 24.873 43.000 46.168 1.00 0.00 H ATOM 1414 HB3 ALA B 92 26.308 42.766 47.185 1.00 0.00 H ATOM 1415 N SER B 93 25.493 38.944 47.699 1.00 34.65 N ATOM 1416 CA SER B 93 26.401 37.833 48.035 1.00 38.02 C ATOM 1417 C SER B 93 27.104 37.298 46.784 1.00 39.85 C ATOM 1418 O SER B 93 26.900 37.787 45.671 1.00 37.84 O ATOM 1419 CB SER B 93 25.697 36.683 48.789 1.00 39.56 C ATOM 1420 OG SER B 93 24.508 37.102 49.432 1.00 45.30 O ATOM 1421 H SER B 93 24.720 38.729 47.086 1.00 0.00 H ATOM 1422 HA SER B 93 27.187 38.200 48.694 1.00 0.00 H ATOM 1423 HB2 SER B 93 25.446 35.880 48.091 1.00 0.00 H ATOM 1424 HB3 SER B 93 26.386 36.280 49.534 1.00 0.00 H ATOM 1425 HG SER B 93 23.879 37.222 48.695 1.00 0.00 H ATOM 1426 N ASP B 94 27.937 36.290 46.993 1.00 43.50 N ATOM 1427 CA ASP B 94 28.590 35.451 45.991 1.00 46.07 C ATOM 1428 C ASP B 94 27.605 34.667 45.106 1.00 46.34 C ATOM 1429 O ASP B 94 27.664 34.813 43.887 1.00 47.78 O ATOM 1430 CB ASP B 94 29.560 34.492 46.718 1.00 48.65 C ATOM 1431 CG ASP B 94 29.027 33.803 47.998 1.00 51.23 C ATOM 1432 OD1 ASP B 94 27.838 34.011 48.350 1.00 52.22 O ATOM 1433 OD2 ASP B 94 29.888 33.324 48.761 1.00 54.89 O ATOM 1434 H ASP B 94 27.916 35.854 47.912 1.00 0.00 H ATOM 1435 HA ASP B 94 29.175 36.084 45.325 1.00 0.00 H ATOM 1436 HB2 ASP B 94 29.893 33.727 46.015 1.00 0.00 H ATOM 1437 HB3 ASP B 94 30.439 35.076 46.998 1.00 0.00 H ATOM 1438 N ASP B 95 26.653 33.920 45.683 1.00 45.72 N ATOM 1439 CA ASP B 95 25.693 33.114 44.902 1.00 45.66 C ATOM 1440 C ASP B 95 24.338 33.803 44.646 1.00 43.57 C ATOM 1441 O ASP B 95 23.560 33.340 43.809 1.00 42.47 O ATOM 1442 CB ASP B 95 25.490 31.722 45.533 1.00 50.45 C ATOM 1443 CG ASP B 95 24.506 31.664 46.710 1.00 55.21 C ATOM 1444 OD1 ASP B 95 24.224 32.714 47.331 1.00 57.94 O ATOM 1445 OD2 ASP B 95 23.838 30.609 46.837 1.00 58.80 O ATOM 1446 H ASP B 95 26.690 33.796 46.695 1.00 0.00 H ATOM 1447 HA ASP B 95 26.128 32.936 43.919 1.00 0.00 H ATOM 1448 HB2 ASP B 95 26.455 31.331 45.858 1.00 0.00 H ATOM 1449 HB3 ASP B 95 25.120 31.057 44.750 1.00 0.00 H ATOM 1450 N GLY B 96 24.023 34.887 45.361 1.00 41.75 N ATOM 1451 CA GLY B 96 22.693 35.489 45.326 1.00 36.59 C ATOM 1452 C GLY B 96 22.529 36.807 46.071 1.00 34.02 C ATOM 1453 O GLY B 96 23.295 37.155 46.971 1.00 33.71 O ATOM 1454 H GLY B 96 24.666 35.154 46.091 1.00 0.00 H ATOM 1455 HA2 GLY B 96 22.408 35.655 44.288 1.00 0.00 H ATOM 1456 HA3 GLY B 96 21.991 34.787 45.772 1.00 0.00 H ATOM 1457 N PHE B 97 21.413 37.477 45.800 1.00 31.32 N ATOM 1458 CA PHE B 97 20.880 38.530 46.657 1.00 28.71 C ATOM 1459 C PHE B 97 20.179 37.930 47.879 1.00 28.48 C ATOM 1460 O PHE B 97 19.313 37.062 47.750 1.00 27.88 O ATOM 1461 CB PHE B 97 19.919 39.413 45.857 1.00 26.88 C ATOM 1462 CG PHE B 97 20.600 40.187 44.750 1.00 26.80 C ATOM 1463 CD1 PHE B 97 21.256 41.392 45.053 1.00 25.32 C ATOM 1464 CD2 PHE B 97 20.609 39.696 43.431 1.00 26.83 C ATOM 1465 CE1 PHE B 97 21.895 42.119 44.037 1.00 27.51 C ATOM 1466 CE2 PHE B 97 21.251 40.423 42.413 1.00 26.15 C ATOM 1467 CZ PHE B 97 21.889 41.639 42.715 1.00 25.33 C ATOM 1468 H PHE B 97 20.781 37.074 45.114 1.00 0.00 H ATOM 1469 HA PHE B 97 21.705 39.154 46.999 1.00 0.00 H ATOM 1470 HB2 PHE B 97 19.450 40.125 46.538 1.00 0.00 H ATOM 1471 HB3 PHE B 97 19.128 38.795 45.432 1.00 0.00 H ATOM 1472 HD1 PHE B 97 21.273 41.761 46.069 1.00 0.00 H ATOM 1473 HD2 PHE B 97 20.142 38.750 43.198 1.00 0.00 H ATOM 1474 HE1 PHE B 97 22.377 43.055 44.277 1.00 0.00 H ATOM 1475 HE2 PHE B 97 21.268 40.035 41.404 1.00 0.00 H ATOM 1476 HZ PHE B 97 22.380 42.199 41.931 1.00 0.00 H ATOM 1477 N LYS B 98 20.454 38.483 49.061 1.00 29.58 N ATOM 1478 CA LYS B 98 19.704 38.214 50.294 1.00 29.15 C ATOM 1479 C LYS B 98 18.837 39.419 50.634 1.00 28.53 C ATOM 1480 O LYS B 98 19.355 40.511 50.864 1.00 30.01 O ATOM 1481 CB LYS B 98 20.671 37.863 51.428 1.00 29.34 C ATOM 1482 CG LYS B 98 21.259 36.456 51.224 1.00 32.11 C ATOM 1483 CD LYS B 98 22.272 36.061 52.306 1.00 31.56 C ATOM 1484 CE LYS B 98 23.422 37.076 52.383 1.00 35.36 C ATOM 1485 NZ LYS B 98 24.686 36.453 52.839 1.00 35.93 N ATOM 1486 H LYS B 98 21.147 39.229 49.081 1.00 0.00 H ATOM 1487 HA LYS B 98 19.037 37.364 50.150 1.00 0.00 H ATOM 1488 HB2 LYS B 98 21.466 38.605 51.455 1.00 0.00 H ATOM 1489 HB3 LYS B 98 20.139 37.895 52.377 1.00 0.00 H ATOM 1490 HG2 LYS B 98 21.756 36.407 50.254 1.00 0.00 H ATOM 1491 HG3 LYS B 98 20.447 35.728 51.227 1.00 0.00 H ATOM 1492 HD2 LYS B 98 21.769 35.998 53.273 1.00 0.00 H ATOM 1493 HD3 LYS B 98 22.658 35.074 52.047 1.00 0.00 H ATOM 1494 HE2 LYS B 98 23.125 37.898 53.041 1.00 0.00 H ATOM 1495 HE3 LYS B 98 23.571 37.499 51.386 1.00 0.00 H ATOM 1496 HZ1 LYS B 98 25.428 37.141 52.848 1.00 0.00 H ATOM 1497 HZ2 LYS B 98 24.957 35.723 52.189 1.00 0.00 H ATOM 1498 HZ3 LYS B 98 24.580 36.060 53.764 1.00 0.00 H ATOM 1499 N ALA B 99 17.524 39.241 50.540 1.00 26.04 N ATOM 1500 CA ALA B 99 16.550 40.248 50.937 1.00 26.74 C ATOM 1501 C ALA B 99 16.236 40.120 52.432 1.00 28.07 C ATOM 1502 O ALA B 99 15.889 39.033 52.899 1.00 30.67 O ATOM 1503 CB ALA B 99 15.300 40.100 50.068 1.00 25.95 C ATOM 1504 H ALA B 99 17.188 38.298 50.388 1.00 0.00 H ATOM 1505 HA ALA B 99 16.965 41.239 50.754 1.00 0.00 H ATOM 1506 HB1 ALA B 99 14.568 40.859 50.348 1.00 0.00 H ATOM 1507 HB2 ALA B 99 15.579 40.242 49.025 1.00 0.00 H ATOM 1508 HB3 ALA B 99 14.862 39.110 50.201 1.00 0.00 H ATOM 1509 N VAL B 100 16.232 41.249 53.135 1.00 27.41 N ATOM 1510 CA VAL B 100 15.892 41.381 54.559 1.00 26.90 C ATOM 1511 C VAL B 100 14.855 42.494 54.698 1.00 27.93 C ATOM 1512 O VAL B 100 15.000 43.529 54.047 1.00 27.82 O ATOM 1513 CB VAL B 100 17.145 41.707 55.402 1.00 29.00 C ATOM 1514 CG1 VAL B 100 16.855 41.725 56.904 1.00 30.51 C ATOM 1515 CG2 VAL B 100 18.304 40.729 55.155 1.00 27.67 C ATOM 1516 H VAL B 100 16.500 42.106 52.655 1.00 0.00 H ATOM 1517 HA VAL B 100 15.463 40.451 54.918 1.00 0.00 H ATOM 1518 HB VAL B 100 17.484 42.702 55.129 1.00 0.00 H ATOM 1519 HG11 VAL B 100 17.751 42.020 57.451 1.00 0.00 H ATOM 1520 HG12 VAL B 100 16.071 42.445 57.138 1.00 0.00 H ATOM 1521 HG13 VAL B 100 16.553 40.736 57.240 1.00 0.00 H ATOM 1522 HG21 VAL B 100 19.141 40.979 55.808 1.00 0.00 H ATOM 1523 HG22 VAL B 100 18.647 40.801 54.123 1.00 0.00 H ATOM 1524 HG23 VAL B 100 17.986 39.708 55.360 1.00 0.00 H ATOM 1525 N VAL B 101 13.826 42.319 55.529 1.00 29.49 N ATOM 1526 CA VAL B 101 12.815 43.361 55.790 1.00 32.37 C ATOM 1527 C VAL B 101 12.461 43.379 57.272 1.00 36.36 C ATOM 1528 O VAL B 101 12.040 42.353 57.798 1.00 36.35 O ATOM 1529 CB VAL B 101 11.530 43.170 54.955 1.00 30.88 C ATOM 1530 CG1 VAL B 101 10.696 44.458 55.023 1.00 31.74 C ATOM 1531 CG2 VAL B 101 11.783 42.791 53.487 1.00 29.76 C ATOM 1532 H VAL B 101 13.761 41.450 56.057 1.00 0.00 H ATOM 1533 HA VAL B 101 13.240 44.332 55.539 1.00 0.00 H ATOM 1534 HB VAL B 101 10.941 42.360 55.385 1.00 0.00 H ATOM 1535 HG11 VAL B 101 10.327 44.609 56.038 1.00 0.00 H ATOM 1536 HG12 VAL B 101 9.833 44.391 54.365 1.00 0.00 H ATOM 1537 HG13 VAL B 101 11.298 45.318 54.734 1.00 0.00 H ATOM 1538 HG21 VAL B 101 12.192 41.782 53.440 1.00 0.00 H ATOM 1539 HG22 VAL B 101 10.846 42.805 52.932 1.00 0.00 H ATOM 1540 HG23 VAL B 101 12.494 43.478 53.036 1.00 0.00 H ATOM 1541 N GLY B 102 12.643 44.519 57.947 1.00 39.46 N ATOM 1542 CA GLY B 102 12.449 44.604 59.404 1.00 43.06 C ATOM 1543 C GLY B 102 13.318 43.600 60.176 1.00 47.30 C ATOM 1544 O GLY B 102 12.782 42.778 60.911 1.00 49.74 O ATOM 1545 H GLY B 102 13.012 45.327 57.455 1.00 0.00 H ATOM 1546 HA2 GLY B 102 11.404 44.408 59.644 1.00 0.00 H ATOM 1547 HA3 GLY B 102 12.708 45.607 59.743 1.00 0.00 H ATOM 1548 N ASP B 103 14.582 43.479 59.756 1.00 47.47 N ATOM 1549 CA ASP B 103 15.598 42.514 60.212 1.00 46.75 C ATOM 1550 C ASP B 103 15.303 41.015 59.978 1.00 44.78 C ATOM 1551 O ASP B 103 16.229 40.200 59.985 1.00 42.95 O ATOM 1552 CB ASP B 103 16.047 42.848 61.647 1.00 50.03 C ATOM 1553 CG ASP B 103 16.542 44.295 61.813 1.00 53.14 C ATOM 1554 OD1 ASP B 103 16.784 44.969 60.781 1.00 53.15 O ATOM 1555 OD2 ASP B 103 16.746 44.695 62.980 1.00 56.07 O ATOM 1556 H ASP B 103 14.960 44.272 59.258 1.00 0.00 H ATOM 1557 HA ASP B 103 16.477 42.708 59.598 1.00 0.00 H ATOM 1558 HB2 ASP B 103 15.214 42.672 62.330 1.00 0.00 H ATOM 1559 HB3 ASP B 103 16.858 42.173 61.926 1.00 0.00 H ATOM 1560 N ALA B 104 14.105 40.655 59.507 1.00 43.72 N ATOM 1561 CA ALA B 104 13.795 39.306 59.045 1.00 43.51 C ATOM 1562 C ALA B 104 14.457 39.010 57.684 1.00 43.40 C ATOM 1563 O ALA B 104 14.075 39.568 56.652 1.00 45.26 O ATOM 1564 CB ALA B 104 12.273 39.122 59.003 1.00 42.58 C ATOM 1565 H ALA B 104 13.369 41.354 59.493 1.00 0.00 H ATOM 1566 HA ALA B 104 14.191 38.601 59.778 1.00 0.00 H ATOM 1567 HB1 ALA B 104 12.035 38.094 58.729 1.00 0.00 H ATOM 1568 HB2 ALA B 104 11.833 39.796 58.268 1.00 0.00 H ATOM 1569 HB3 ALA B 104 11.849 39.339 59.984 1.00 0.00 H ATOM 1570 N GLN B 105 15.378 38.039 57.657 1.00 43.07 N ATOM 1571 CA GLN B 105 15.913 37.430 56.432 1.00 43.19 C ATOM 1572 C GLN B 105 14.777 36.734 55.662 1.00 41.51 C ATOM 1573 O GLN B 105 14.283 35.687 56.072 1.00 42.12 O ATOM 1574 CB GLN B 105 17.073 36.486 56.815 1.00 43.71 C ATOM 1575 CG GLN B 105 17.513 35.459 55.754 1.00 49.04 C ATOM 1576 CD GLN B 105 17.833 36.061 54.390 1.00 52.04 C ATOM 1577 OE1 GLN B 105 18.883 36.637 54.164 1.00 54.77 O ATOM 1578 NE2 GLN B 105 16.993 35.834 53.404 1.00 53.15 N ATOM 1579 H GLN B 105 15.673 37.661 58.544 1.00 0.00 H ATOM 1580 HA GLN B 105 16.315 38.218 55.795 1.00 0.00 H ATOM 1581 HB2 GLN B 105 16.786 35.922 57.704 1.00 0.00 H ATOM 1582 HB3 GLN B 105 17.935 37.100 57.081 1.00 0.00 H ATOM 1583 HG2 GLN B 105 18.404 34.947 56.117 1.00 0.00 H ATOM 1584 HG3 GLN B 105 16.734 34.704 55.643 1.00 0.00 H ATOM 1585 HE21 GLN B 105 16.129 35.353 53.581 1.00 0.00 H ATOM 1586 HE22 GLN B 105 17.206 36.247 52.506 1.00 0.00 H ATOM 1587 N TYR B 106 14.379 37.317 54.531 1.00 38.93 N ATOM 1588 CA TYR B 106 13.076 37.083 53.906 1.00 38.57 C ATOM 1589 C TYR B 106 13.132 36.293 52.582 1.00 37.47 C ATOM 1590 O TYR B 106 12.307 35.405 52.379 1.00 36.74 O ATOM 1591 CB TYR B 106 12.395 38.453 53.756 1.00 40.53 C ATOM 1592 CG TYR B 106 11.078 38.405 53.017 1.00 42.34 C ATOM 1593 CD1 TYR B 106 9.983 37.720 53.578 1.00 42.37 C ATOM 1594 CD2 TYR B 106 10.969 38.995 51.745 1.00 43.66 C ATOM 1595 CE1 TYR B 106 8.790 37.584 52.846 1.00 43.36 C ATOM 1596 CE2 TYR B 106 9.785 38.840 51.002 1.00 44.44 C ATOM 1597 CZ TYR B 106 8.706 38.116 51.545 1.00 43.94 C ATOM 1598 OH TYR B 106 7.618 37.896 50.773 1.00 43.70 O ATOM 1599 H TYR B 106 14.872 38.155 54.246 1.00 0.00 H ATOM 1600 HA TYR B 106 12.459 36.491 54.584 1.00 0.00 H ATOM 1601 HB2 TYR B 106 13.072 39.130 53.233 1.00 0.00 H ATOM 1602 HB3 TYR B 106 12.218 38.870 54.749 1.00 0.00 H ATOM 1603 HD1 TYR B 106 10.067 37.272 54.560 1.00 0.00 H ATOM 1604 HD2 TYR B 106 11.805 39.539 51.333 1.00 0.00 H ATOM 1605 HE1 TYR B 106 7.960 37.037 53.263 1.00 0.00 H ATOM 1606 HE2 TYR B 106 9.695 39.250 50.009 1.00 0.00 H ATOM 1607 HH TYR B 106 6.775 37.802 51.255 1.00 0.00 H ATOM 1608 N HIS B 107 14.176 36.466 51.756 1.00 35.26 N ATOM 1609 CA HIS B 107 14.452 35.574 50.608 1.00 35.18 C ATOM 1610 C HIS B 107 15.937 35.535 50.217 1.00 36.59 C ATOM 1611 O HIS B 107 16.707 36.437 50.558 1.00 36.12 O ATOM 1612 CB HIS B 107 13.568 35.933 49.394 1.00 36.84 C ATOM 1613 CG HIS B 107 13.644 34.930 48.258 1.00 39.48 C ATOM 1614 ND1 HIS B 107 13.670 33.542 48.418 1.00 40.35 N ATOM 1615 CD2 HIS B 107 13.694 35.211 46.923 1.00 39.73 C ATOM 1616 CE1 HIS B 107 13.722 33.026 47.179 1.00 40.47 C ATOM 1617 NE2 HIS B 107 13.739 34.002 46.258 1.00 41.11 N ATOM 1618 H HIS B 107 14.865 37.168 52.000 1.00 0.00 H ATOM 1619 HA HIS B 107 14.179 34.558 50.903 1.00 0.00 H ATOM 1620 HB2 HIS B 107 12.527 36.000 49.711 1.00 0.00 H ATOM 1621 HB3 HIS B 107 13.878 36.908 49.020 1.00 0.00 H ATOM 1622 HD2 HIS B 107 13.676 36.195 46.483 1.00 0.00 H ATOM 1623 HE1 HIS B 107 13.736 31.968 46.951 1.00 0.00 H ATOM 1624 HE2 HIS B 107 13.727 33.837 45.243 1.00 0.00 H ATOM 1625 N HIS B 108 16.324 34.499 49.470 1.00 38.78 N ATOM 1626 CA HIS B 108 17.656 34.282 48.899 1.00 39.69 C ATOM 1627 C HIS B 108 17.548 34.111 47.375 1.00 39.34 C ATOM 1628 O HIS B 108 17.485 32.997 46.855 1.00 40.19 O ATOM 1629 CB HIS B 108 18.302 33.075 49.598 1.00 41.88 C ATOM 1630 CG HIS B 108 19.719 32.765 49.182 1.00 45.27 C ATOM 1631 ND1 HIS B 108 20.391 31.579 49.502 1.00 47.91 N ATOM 1632 CD2 HIS B 108 20.581 33.605 48.531 1.00 47.45 C ATOM 1633 CE1 HIS B 108 21.647 31.750 49.055 1.00 49.01 C ATOM 1634 NE2 HIS B 108 21.780 32.936 48.456 1.00 48.98 N ATOM 1635 H HIS B 108 15.591 33.861 49.172 1.00 0.00 H ATOM 1636 HA HIS B 108 18.279 35.155 49.090 1.00 0.00 H ATOM 1637 HB2 HIS B 108 18.310 33.260 50.673 1.00 0.00 H ATOM 1638 HB3 HIS B 108 17.690 32.189 49.419 1.00 0.00 H ATOM 1639 HD2 HIS B 108 20.377 34.604 48.171 1.00 0.00 H ATOM 1640 HE1 HIS B 108 22.447 31.021 49.111 1.00 0.00 H ATOM 1641 HE2 HIS B 108 22.648 33.211 47.979 1.00 0.00 H ATOM 1642 N PHE B 109 17.397 35.230 46.667 1.00 36.66 N ATOM 1643 CA PHE B 109 17.252 35.260 45.212 1.00 34.53 C ATOM 1644 C PHE B 109 18.611 35.051 44.529 1.00 35.32 C ATOM 1645 O PHE B 109 19.423 35.976 44.433 1.00 33.98 O ATOM 1646 CB PHE B 109 16.591 36.580 44.799 1.00 33.82 C ATOM 1647 CG PHE B 109 16.268 36.646 43.321 1.00 34.68 C ATOM 1648 CD1 PHE B 109 15.079 36.068 42.841 1.00 36.12 C ATOM 1649 CD2 PHE B 109 17.152 37.271 42.423 1.00 34.81 C ATOM 1650 CE1 PHE B 109 14.746 36.163 41.480 1.00 36.28 C ATOM 1651 CE2 PHE B 109 16.832 37.344 41.058 1.00 37.47 C ATOM 1652 CZ PHE B 109 15.625 36.801 40.589 1.00 36.52 C ATOM 1653 H PHE B 109 17.579 36.109 47.136 1.00 0.00 H ATOM 1654 HA PHE B 109 16.587 34.450 44.907 1.00 0.00 H ATOM 1655 HB2 PHE B 109 17.241 37.413 45.064 1.00 0.00 H ATOM 1656 HB3 PHE B 109 15.664 36.703 45.358 1.00 0.00 H ATOM 1657 HD1 PHE B 109 14.409 35.562 43.522 1.00 0.00 H ATOM 1658 HD2 PHE B 109 18.079 37.694 42.780 1.00 0.00 H ATOM 1659 HE1 PHE B 109 13.812 35.745 41.134 1.00 0.00 H ATOM 1660 HE2 PHE B 109 17.513 37.825 40.372 1.00 0.00 H ATOM 1661 HZ PHE B 109 15.383 36.877 39.542 1.00 0.00 H ATOM 1662 N ARG B 110 18.927 33.794 44.204 1.00 34.89 N ATOM 1663 CA ARG B 110 20.227 33.402 43.632 1.00 36.69 C ATOM 1664 C ARG B 110 20.432 33.951 42.219 1.00 34.44 C ATOM 1665 O ARG B 110 19.466 34.189 41.492 1.00 35.35 O ATOM 1666 CB ARG B 110 20.456 31.889 43.748 1.00 39.54 C ATOM 1667 CG ARG B 110 20.537 31.514 45.237 1.00 44.00 C ATOM 1668 CD ARG B 110 20.865 30.041 45.461 1.00 46.80 C ATOM 1669 NE ARG B 110 20.579 29.677 46.863 1.00 49.43 N ATOM 1670 CZ ARG B 110 21.270 28.861 47.635 1.00 50.42 C ATOM 1671 NH1 ARG B 110 22.422 28.377 47.292 1.00 50.25 N ATOM 1672 NH2 ARG B 110 20.846 28.616 48.843 1.00 47.62 N ATOM 1673 H ARG B 110 18.243 33.077 44.398 1.00 0.00 H ATOM 1674 HA ARG B 110 21.002 33.871 44.224 1.00 0.00 H ATOM 1675 HB2 ARG B 110 19.642 31.349 43.263 1.00 0.00 H ATOM 1676 HB3 ARG B 110 21.398 31.628 43.263 1.00 0.00 H ATOM 1677 HG2 ARG B 110 19.578 31.729 45.709 1.00 0.00 H ATOM 1678 HG3 ARG B 110 21.307 32.115 45.723 1.00 0.00 H ATOM 1679 HD2 ARG B 110 21.913 29.873 45.208 1.00 0.00 H ATOM 1680 HD3 ARG B 110 20.245 29.430 44.803 1.00 0.00 H ATOM 1681 HE ARG B 110 19.814 30.164 47.302 1.00 0.00 H ATOM 1682 HH11 ARG B 110 22.966 29.065 46.752 1.00 0.00 H ATOM 1683 HH12 ARG B 110 22.959 27.860 47.952 1.00 0.00 H ATOM 1684 HH21 ARG B 110 20.170 29.264 49.221 1.00 0.00 H ATOM 1685 HH22 ARG B 110 21.421 28.084 49.463 1.00 0.00 H ATOM 1686 N HIS B 111 21.678 34.312 41.914 1.00 34.75 N ATOM 1687 CA HIS B 111 22.013 35.149 40.763 1.00 36.05 C ATOM 1688 C HIS B 111 21.624 34.498 39.438 1.00 38.83 C ATOM 1689 O HIS B 111 21.774 33.295 39.234 1.00 39.53 O ATOM 1690 CB HIS B 111 23.499 35.535 40.751 1.00 34.51 C ATOM 1691 CG HIS B 111 23.908 36.419 41.899 1.00 35.71 C ATOM 1692 ND1 HIS B 111 23.206 37.539 42.349 1.00 35.69 N ATOM 1693 CD2 HIS B 111 25.073 36.319 42.595 1.00 34.93 C ATOM 1694 CE1 HIS B 111 23.952 38.063 43.334 1.00 35.92 C ATOM 1695 NE2 HIS B 111 25.081 37.352 43.502 1.00 35.81 N ATOM 1696 H HIS B 111 22.421 34.057 42.557 1.00 0.00 H ATOM 1697 HA HIS B 111 21.439 36.072 40.858 1.00 0.00 H ATOM 1698 HB2 HIS B 111 23.721 36.074 39.829 1.00 0.00 H ATOM 1699 HB3 HIS B 111 24.103 34.627 40.765 1.00 0.00 H ATOM 1700 HD2 HIS B 111 25.838 35.566 42.459 1.00 0.00 H ATOM 1701 HE1 HIS B 111 23.678 38.938 43.909 1.00 0.00 H ATOM 1702 HE2 HIS B 111 25.805 37.523 44.201 1.00 0.00 H ATOM 1703 N ARG B 112 21.208 35.349 38.499 1.00 40.23 N ATOM 1704 CA ARG B 112 20.818 34.962 37.135 1.00 40.50 C ATOM 1705 C ARG B 112 21.589 35.742 36.072 1.00 42.77 C ATOM 1706 O ARG B 112 21.952 35.175 35.050 1.00 45.56 O ATOM 1707 CB ARG B 112 19.307 35.165 36.967 1.00 39.18 C ATOM 1708 CG ARG B 112 18.443 34.358 37.957 1.00 36.58 C ATOM 1709 CD ARG B 112 16.998 34.786 37.717 1.00 36.67 C ATOM 1710 NE ARG B 112 16.003 34.156 38.600 1.00 36.30 N ATOM 1711 CZ ARG B 112 14.698 34.294 38.442 1.00 34.13 C ATOM 1712 NH1 ARG B 112 14.183 34.986 37.462 1.00 36.28 N ATOM 1713 NH2 ARG B 112 13.855 33.772 39.272 1.00 33.64 N ATOM 1714 H ARG B 112 21.115 36.313 38.778 1.00 0.00 H ATOM 1715 HA ARG B 112 21.052 33.908 36.965 1.00 0.00 H ATOM 1716 HB2 ARG B 112 19.032 34.878 35.949 1.00 0.00 H ATOM 1717 HB3 ARG B 112 19.087 36.228 37.086 1.00 0.00 H ATOM 1718 HG2 ARG B 112 18.560 33.288 37.776 1.00 0.00 H ATOM 1719 HG3 ARG B 112 18.713 34.593 38.985 1.00 0.00 H ATOM 1720 HD2 ARG B 112 16.747 34.571 36.676 1.00 0.00 H ATOM 1721 HD3 ARG B 112 16.952 35.860 37.884 1.00 0.00 H ATOM 1722 HE ARG B 112 16.331 33.710 39.445 1.00 0.00 H ATOM 1723 HH11 ARG B 112 14.807 35.541 36.886 1.00 0.00 H ATOM 1724 HH12 ARG B 112 13.186 35.174 37.438 1.00 0.00 H ATOM 1725 HH21 ARG B 112 12.864 33.880 39.091 1.00 0.00 H ATOM 1726 HH22 ARG B 112 14.152 33.306 40.133 1.00 0.00 H ATOM 1727 N LEU B 113 21.903 37.009 36.356 1.00 43.74 N ATOM 1728 CA LEU B 113 22.811 37.845 35.570 1.00 42.61 C ATOM 1729 C LEU B 113 24.113 38.076 36.358 1.00 42.96 C ATOM 1730 O LEU B 113 24.038 38.234 37.579 1.00 42.57 O ATOM 1731 CB LEU B 113 22.150 39.195 35.231 1.00 42.98 C ATOM 1732 CG LEU B 113 20.725 39.129 34.653 1.00 43.80 C ATOM 1733 CD1 LEU B 113 20.323 40.515 34.157 1.00 40.37 C ATOM 1734 CD2 LEU B 113 20.603 38.165 33.482 1.00 44.39 C ATOM 1735 H LEU B 113 21.639 37.362 37.259 1.00 0.00 H ATOM 1736 HA LEU B 113 23.036 37.334 34.634 1.00 0.00 H ATOM 1737 HB2 LEU B 113 22.116 39.802 36.136 1.00 0.00 H ATOM 1738 HB3 LEU B 113 22.793 39.708 34.516 1.00 0.00 H ATOM 1739 HG LEU B 113 20.029 38.822 35.434 1.00 0.00 H ATOM 1740 HD21 LEU B 113 19.641 38.305 32.999 1.00 0.00 H ATOM 1741 HD22 LEU B 113 20.671 37.133 33.815 1.00 0.00 H ATOM 1742 HD23 LEU B 113 21.393 38.356 32.759 1.00 0.00 H ATOM 1743 HD11 LEU B 113 20.506 41.257 34.929 1.00 0.00 H ATOM 1744 HD12 LEU B 113 19.264 40.519 33.905 1.00 0.00 H ATOM 1745 HD13 LEU B 113 20.892 40.778 33.266 1.00 0.00 H ATOM 1746 N PRO B 114 25.271 38.268 35.699 1.00 44.44 N ATOM 1747 CA PRO B 114 26.501 38.670 36.380 1.00 43.75 C ATOM 1748 C PRO B 114 26.362 40.052 37.033 1.00 43.48 C ATOM 1749 O PRO B 114 25.974 41.012 36.364 1.00 41.95 O ATOM 1750 CB PRO B 114 27.599 38.657 35.308 1.00 44.57 C ATOM 1751 CG PRO B 114 27.044 37.724 34.231 1.00 45.55 C ATOM 1752 CD PRO B 114 25.541 37.982 34.298 1.00 45.50 C ATOM 1753 HA PRO B 114 26.732 37.924 37.143 1.00 0.00 H ATOM 1754 HB2 PRO B 114 27.729 39.653 34.881 1.00 0.00 H ATOM 1755 HB3 PRO B 114 28.545 38.290 35.707 1.00 0.00 H ATOM 1756 HG2 PRO B 114 27.450 37.952 33.246 1.00 0.00 H ATOM 1757 HG3 PRO B 114 27.249 36.687 34.502 1.00 0.00 H ATOM 1758 HD2 PRO B 114 25.005 37.099 33.949 1.00 0.00 H ATOM 1759 HD3 PRO B 114 25.281 38.850 33.692 1.00 0.00 H ATOM 1760 N LEU B 115 26.888 40.211 38.254 1.00 43.85 N ATOM 1761 CA LEU B 115 26.840 41.486 38.991 1.00 43.72 C ATOM 1762 C LEU B 115 27.548 42.653 38.279 1.00 43.53 C ATOM 1763 O LEU B 115 27.033 43.765 38.305 1.00 44.38 O ATOM 1764 CB LEU B 115 27.418 41.299 40.407 1.00 42.52 C ATOM 1765 CG LEU B 115 26.596 40.395 41.347 1.00 41.73 C ATOM 1766 CD1 LEU B 115 27.227 40.416 42.741 1.00 42.28 C ATOM 1767 CD2 LEU B 115 25.147 40.874 41.447 1.00 42.84 C ATOM 1768 H LEU B 115 27.168 39.384 38.760 1.00 0.00 H ATOM 1769 HA LEU B 115 25.797 41.789 39.077 1.00 0.00 H ATOM 1770 HB2 LEU B 115 28.432 40.906 40.332 1.00 0.00 H ATOM 1771 HB3 LEU B 115 27.483 42.285 40.869 1.00 0.00 H ATOM 1772 HG LEU B 115 26.607 39.370 40.975 1.00 0.00 H ATOM 1773 HD21 LEU B 115 24.665 40.447 42.323 1.00 0.00 H ATOM 1774 HD22 LEU B 115 25.120 41.958 41.514 1.00 0.00 H ATOM 1775 HD23 LEU B 115 24.592 40.550 40.566 1.00 0.00 H ATOM 1776 HD11 LEU B 115 26.667 39.765 43.413 1.00 0.00 H ATOM 1777 HD12 LEU B 115 27.230 41.429 43.142 1.00 0.00 H ATOM 1778 HD13 LEU B 115 28.248 40.043 42.681 1.00 0.00 H ATOM 1779 N ALA B 116 28.535 42.366 37.422 1.00 41.85 N ATOM 1780 CA ALA B 116 29.192 43.348 36.552 1.00 41.45 C ATOM 1781 C ALA B 116 28.279 43.983 35.471 1.00 41.15 C ATOM 1782 O ALA B 116 28.693 44.929 34.790 1.00 42.69 O ATOM 1783 CB ALA B 116 30.413 42.664 35.924 1.00 42.36 C ATOM 1784 H ALA B 116 28.871 41.418 37.404 1.00 0.00 H ATOM 1785 HA ALA B 116 29.547 44.168 37.180 1.00 0.00 H ATOM 1786 HB1 ALA B 116 30.971 43.388 35.328 1.00 0.00 H ATOM 1787 HB2 ALA B 116 31.070 42.284 36.708 1.00 0.00 H ATOM 1788 HB3 ALA B 116 30.097 41.841 35.282 1.00 0.00 H ATOM 1789 N ARG B 117 27.045 43.485 35.276 1.00 41.57 N ATOM 1790 CA ARG B 117 26.004 44.206 34.523 1.00 41.42 C ATOM 1791 C ARG B 117 25.367 45.345 35.329 1.00 40.74 C ATOM 1792 O ARG B 117 24.968 46.327 34.716 1.00 41.25 O ATOM 1793 CB ARG B 117 24.896 43.259 34.023 1.00 42.18 C ATOM 1794 CG ARG B 117 25.356 42.213 32.992 1.00 45.64 C ATOM 1795 CD ARG B 117 24.173 41.621 32.197 1.00 44.38 C ATOM 1796 NE ARG B 117 23.623 42.580 31.214 1.00 47.98 N ATOM 1797 CZ ARG B 117 22.487 42.463 30.541 1.00 49.59 C ATOM 1798 NH1 ARG B 117 21.723 41.423 30.610 1.00 48.82 N ATOM 1799 NH2 ARG B 117 22.074 43.423 29.768 1.00 51.54 N ATOM 1800 H ARG B 117 26.759 42.690 35.842 1.00 0.00 H ATOM 1801 HA ARG B 117 26.456 44.682 33.657 1.00 0.00 H ATOM 1802 HB2 ARG B 117 24.140 43.883 33.554 1.00 0.00 H ATOM 1803 HB3 ARG B 117 24.429 42.752 34.870 1.00 0.00 H ATOM 1804 HG2 ARG B 117 26.057 42.669 32.292 1.00 0.00 H ATOM 1805 HG3 ARG B 117 25.871 41.408 33.517 1.00 0.00 H ATOM 1806 HD2 ARG B 117 23.390 41.318 32.895 1.00 0.00 H ATOM 1807 HD3 ARG B 117 24.518 40.732 31.665 1.00 0.00 H ATOM 1808 HE ARG B 117 24.119 43.439 31.080 1.00 0.00 H ATOM 1809 HH11 ARG B 117 22.032 40.517 30.941 1.00 0.00 H ATOM 1810 HH12 ARG B 117 20.936 41.305 29.965 1.00 0.00 H ATOM 1811 HH21 ARG B 117 22.565 44.280 29.641 1.00 0.00 H ATOM 1812 HH22 ARG B 117 21.148 43.309 29.332 1.00 0.00 H ATOM 1813 N VAL B 118 25.168 45.177 36.638 1.00 40.32 N ATOM 1814 CA VAL B 118 24.310 46.035 37.478 1.00 39.62 C ATOM 1815 C VAL B 118 24.905 47.432 37.647 1.00 40.26 C ATOM 1816 O VAL B 118 26.030 47.568 38.123 1.00 40.39 O ATOM 1817 CB VAL B 118 24.056 45.394 38.858 1.00 38.80 C ATOM 1818 CG1 VAL B 118 23.158 46.275 39.736 1.00 35.60 C ATOM 1819 CG2 VAL B 118 23.363 44.036 38.702 1.00 37.62 C ATOM 1820 H VAL B 118 25.656 44.419 37.101 1.00 0.00 H ATOM 1821 HA VAL B 118 23.346 46.138 36.981 1.00 0.00 H ATOM 1822 HB VAL B 118 25.003 45.245 39.374 1.00 0.00 H ATOM 1823 HG21 VAL B 118 23.151 43.613 39.684 1.00 0.00 H ATOM 1824 HG22 VAL B 118 22.432 44.170 38.151 1.00 0.00 H ATOM 1825 HG23 VAL B 118 24.007 43.341 38.164 1.00 0.00 H ATOM 1826 HG11 VAL B 118 23.681 47.194 39.994 1.00 0.00 H ATOM 1827 HG12 VAL B 118 22.233 46.519 39.211 1.00 0.00 H ATOM 1828 HG13 VAL B 118 22.923 45.757 40.665 1.00 0.00 H ATOM 1829 N ARG B 119 24.146 48.464 37.256 1.00 39.76 N ATOM 1830 CA ARG B 119 24.626 49.855 37.115 1.00 39.63 C ATOM 1831 C ARG B 119 23.682 50.921 37.673 1.00 38.35 C ATOM 1832 O ARG B 119 24.140 52.036 37.897 1.00 35.49 O ATOM 1833 CB ARG B 119 24.946 50.129 35.636 1.00 43.29 C ATOM 1834 CG ARG B 119 26.246 49.423 35.220 1.00 46.95 C ATOM 1835 CD ARG B 119 26.299 49.159 33.718 1.00 50.37 C ATOM 1836 NE ARG B 119 27.283 48.099 33.434 1.00 53.20 N ATOM 1837 CZ ARG B 119 27.240 47.234 32.443 1.00 54.44 C ATOM 1838 NH1 ARG B 119 26.283 47.221 31.557 1.00 56.22 N ATOM 1839 NH2 ARG B 119 28.160 46.316 32.352 1.00 56.10 N ATOM 1840 H ARG B 119 23.248 48.233 36.840 1.00 0.00 H ATOM 1841 HA ARG B 119 25.549 49.980 37.688 1.00 0.00 H ATOM 1842 HB2 ARG B 119 24.108 49.783 35.027 1.00 0.00 H ATOM 1843 HB3 ARG B 119 25.069 51.201 35.470 1.00 0.00 H ATOM 1844 HG2 ARG B 119 27.105 50.023 35.525 1.00 0.00 H ATOM 1845 HG3 ARG B 119 26.322 48.460 35.717 1.00 0.00 H ATOM 1846 HD2 ARG B 119 26.561 50.080 33.193 1.00 0.00 H ATOM 1847 HD3 ARG B 119 25.310 48.836 33.392 1.00 0.00 H ATOM 1848 HE ARG B 119 28.038 48.002 34.093 1.00 0.00 H ATOM 1849 HH11 ARG B 119 26.294 46.596 30.783 1.00 0.00 H ATOM 1850 HH12 ARG B 119 25.429 47.734 31.771 1.00 0.00 H ATOM 1851 HH21 ARG B 119 28.157 45.671 31.591 1.00 0.00 H ATOM 1852 HH22 ARG B 119 28.713 46.110 33.180 1.00 0.00 H ATOM 1853 N LEU B 120 22.471 50.551 38.097 1.00 37.01 N ATOM 1854 CA LEU B 120 21.644 51.384 38.975 1.00 36.00 C ATOM 1855 C LEU B 120 20.657 50.575 39.824 1.00 34.52 C ATOM 1856 O LEU B 120 20.179 49.514 39.414 1.00 33.62 O ATOM 1857 CB LEU B 120 20.920 52.493 38.188 1.00 39.48 C ATOM 1858 CG LEU B 120 19.817 52.024 37.226 1.00 40.82 C ATOM 1859 CD1 LEU B 120 18.771 53.120 37.081 1.00 41.13 C ATOM 1860 CD2 LEU B 120 20.379 51.695 35.846 1.00 44.51 C ATOM 1861 H LEU B 120 22.157 49.611 37.909 1.00 0.00 H ATOM 1862 HA LEU B 120 22.312 51.883 39.675 1.00 0.00 H ATOM 1863 HB2 LEU B 120 21.644 53.088 37.631 1.00 0.00 H ATOM 1864 HB3 LEU B 120 20.472 53.161 38.924 1.00 0.00 H ATOM 1865 HG LEU B 120 19.305 51.150 37.622 1.00 0.00 H ATOM 1866 HD21 LEU B 120 20.970 52.529 35.472 1.00 0.00 H ATOM 1867 HD22 LEU B 120 19.555 51.511 35.162 1.00 0.00 H ATOM 1868 HD23 LEU B 120 21.002 50.805 35.889 1.00 0.00 H ATOM 1869 HD11 LEU B 120 18.270 53.261 38.036 1.00 0.00 H ATOM 1870 HD12 LEU B 120 19.267 54.046 36.795 1.00 0.00 H ATOM 1871 HD13 LEU B 120 18.043 52.837 36.325 1.00 0.00 H ATOM 1872 N VAL B 121 20.260 51.181 40.942 1.00 33.15 N ATOM 1873 CA VAL B 121 18.979 50.945 41.615 1.00 34.37 C ATOM 1874 C VAL B 121 17.911 51.801 40.935 1.00 35.05 C ATOM 1875 O VAL B 121 18.130 52.994 40.725 1.00 33.61 O ATOM 1876 CB VAL B 121 19.034 51.317 43.116 1.00 33.53 C ATOM 1877 CG1 VAL B 121 17.869 50.685 43.891 1.00 32.59 C ATOM 1878 CG2 VAL B 121 20.342 50.889 43.789 1.00 37.16 C ATOM 1879 H VAL B 121 20.715 52.064 41.158 1.00 0.00 H ATOM 1880 HA VAL B 121 18.715 49.893 41.517 1.00 0.00 H ATOM 1881 HB VAL B 121 18.958 52.400 43.220 1.00 0.00 H ATOM 1882 HG21 VAL B 121 20.281 51.033 44.868 1.00 0.00 H ATOM 1883 HG22 VAL B 121 21.161 51.500 43.412 1.00 0.00 H ATOM 1884 HG23 VAL B 121 20.536 49.844 43.563 1.00 0.00 H ATOM 1885 HG11 VAL B 121 17.915 50.982 44.938 1.00 0.00 H ATOM 1886 HG12 VAL B 121 17.921 49.598 43.823 1.00 0.00 H ATOM 1887 HG13 VAL B 121 16.917 51.022 43.484 1.00 0.00 H ATOM 1888 N GLU B 122 16.700 51.272 40.796 1.00 33.59 N ATOM 1889 CA GLU B 122 15.491 52.040 40.485 1.00 33.92 C ATOM 1890 C GLU B 122 14.337 51.613 41.411 1.00 32.68 C ATOM 1891 O GLU B 122 14.231 50.440 41.765 1.00 31.05 O ATOM 1892 CB GLU B 122 15.173 51.906 38.986 1.00 36.07 C ATOM 1893 CG GLU B 122 13.996 52.777 38.504 1.00 42.18 C ATOM 1894 CD GLU B 122 12.993 52.014 37.630 1.00 45.54 C ATOM 1895 OE1 GLU B 122 12.618 50.885 38.025 1.00 47.53 O ATOM 1896 OE2 GLU B 122 12.396 52.655 36.741 1.00 49.72 O ATOM 1897 H GLU B 122 16.583 50.279 40.981 1.00 0.00 H ATOM 1898 HA GLU B 122 15.693 53.089 40.679 1.00 0.00 H ATOM 1899 HB2 GLU B 122 16.056 52.185 38.411 1.00 0.00 H ATOM 1900 HB3 GLU B 122 14.982 50.856 38.777 1.00 0.00 H ATOM 1901 HG2 GLU B 122 14.398 53.628 37.950 1.00 0.00 H ATOM 1902 HG3 GLU B 122 13.456 53.182 39.358 1.00 0.00 H ATOM 1903 N VAL B 123 13.540 52.569 41.901 1.00 32.19 N ATOM 1904 CA VAL B 123 12.459 52.360 42.883 1.00 33.04 C ATOM 1905 C VAL B 123 11.209 53.122 42.440 1.00 34.13 C ATOM 1906 O VAL B 123 11.293 54.321 42.171 1.00 35.23 O ATOM 1907 CB VAL B 123 12.887 52.803 44.302 1.00 30.37 C ATOM 1908 CG1 VAL B 123 11.805 52.505 45.349 1.00 28.55 C ATOM 1909 CG2 VAL B 123 14.191 52.141 44.765 1.00 29.63 C ATOM 1910 H VAL B 123 13.691 53.519 41.570 1.00 0.00 H ATOM 1911 HA VAL B 123 12.215 51.300 42.917 1.00 0.00 H ATOM 1912 HB VAL B 123 13.055 53.880 44.299 1.00 0.00 H ATOM 1913 HG11 VAL B 123 10.903 53.074 45.127 1.00 0.00 H ATOM 1914 HG12 VAL B 123 11.568 51.442 45.350 1.00 0.00 H ATOM 1915 HG13 VAL B 123 12.152 52.794 46.340 1.00 0.00 H ATOM 1916 HG21 VAL B 123 15.022 52.484 44.150 1.00 0.00 H ATOM 1917 HG22 VAL B 123 14.107 51.062 44.671 1.00 0.00 H ATOM 1918 HG23 VAL B 123 14.401 52.403 45.802 1.00 0.00 H ATOM 1919 N GLY B 124 10.037 52.483 42.429 1.00 34.30 N ATOM 1920 CA GLY B 124 8.795 53.119 41.967 1.00 34.45 C ATOM 1921 C GLY B 124 7.510 52.396 42.379 1.00 34.48 C ATOM 1922 O GLY B 124 7.546 51.389 43.082 1.00 34.15 O ATOM 1923 H GLY B 124 10.005 51.504 42.699 1.00 0.00 H ATOM 1924 HA2 GLY B 124 8.817 53.183 40.880 1.00 0.00 H ATOM 1925 HA3 GLY B 124 8.743 54.136 42.358 1.00 0.00 H ATOM 1926 N GLY B 125 6.364 52.938 41.958 1.00 35.33 N ATOM 1927 CA GLY B 125 5.026 52.498 42.375 1.00 36.50 C ATOM 1928 C GLY B 125 4.547 53.157 43.674 1.00 39.27 C ATOM 1929 O GLY B 125 4.905 54.296 43.973 1.00 39.64 O ATOM 1930 H GLY B 125 6.419 53.806 41.435 1.00 0.00 H ATOM 1931 HA2 GLY B 125 5.022 51.417 42.504 1.00 0.00 H ATOM 1932 HA3 GLY B 125 4.307 52.737 41.594 1.00 0.00 H ATOM 1933 N ASP B 126 3.656 52.485 44.404 1.00 40.55 N ATOM 1934 CA ASP B 126 3.094 52.952 45.679 1.00 42.44 C ATOM 1935 C ASP B 126 4.114 52.925 46.838 1.00 42.60 C ATOM 1936 O ASP B 126 4.049 52.079 47.733 1.00 42.38 O ATOM 1937 CB ASP B 126 1.850 52.130 46.035 1.00 45.17 C ATOM 1938 CG ASP B 126 0.682 52.312 45.069 1.00 46.91 C ATOM 1939 OD1 ASP B 126 -0.070 53.286 45.323 1.00 49.36 O ATOM 1940 OD2 ASP B 126 0.264 51.269 44.525 1.00 50.42 O ATOM 1941 H ASP B 126 3.373 51.561 44.087 1.00 0.00 H ATOM 1942 HA ASP B 126 2.774 53.988 45.556 1.00 0.00 H ATOM 1943 HB2 ASP B 126 1.516 52.447 47.021 1.00 0.00 H ATOM 1944 HB3 ASP B 126 2.121 51.073 46.094 1.00 0.00 H ATOM 1945 N VAL B 127 5.048 53.879 46.856 1.00 42.79 N ATOM 1946 CA VAL B 127 6.065 54.017 47.912 1.00 44.02 C ATOM 1947 C VAL B 127 6.483 55.477 48.106 1.00 45.90 C ATOM 1948 O VAL B 127 6.778 56.185 47.146 1.00 45.68 O ATOM 1949 CB VAL B 127 7.267 53.086 47.635 1.00 42.79 C ATOM 1950 CG1 VAL B 127 7.956 53.316 46.283 1.00 39.90 C ATOM 1951 CG2 VAL B 127 8.331 53.185 48.733 1.00 40.83 C ATOM 1952 H VAL B 127 5.123 54.483 46.042 1.00 0.00 H ATOM 1953 HA VAL B 127 5.623 53.684 48.851 1.00 0.00 H ATOM 1954 HB VAL B 127 6.894 52.063 47.644 1.00 0.00 H ATOM 1955 HG11 VAL B 127 7.233 53.233 45.472 1.00 0.00 H ATOM 1956 HG12 VAL B 127 8.416 54.303 46.248 1.00 0.00 H ATOM 1957 HG13 VAL B 127 8.722 52.556 46.131 1.00 0.00 H ATOM 1958 HG21 VAL B 127 9.089 52.422 48.557 1.00 0.00 H ATOM 1959 HG22 VAL B 127 8.811 54.163 48.722 1.00 0.00 H ATOM 1960 HG23 VAL B 127 7.872 53.012 49.705 1.00 0.00 H ATOM 1961 N GLN B 128 6.558 55.927 49.362 1.00 46.43 N ATOM 1962 CA GLN B 128 7.120 57.230 49.734 1.00 48.22 C ATOM 1963 C GLN B 128 8.490 57.032 50.397 1.00 46.99 C ATOM 1964 O GLN B 128 8.570 56.526 51.513 1.00 47.73 O ATOM 1965 CB GLN B 128 6.138 57.993 50.637 1.00 52.29 C ATOM 1966 CG GLN B 128 4.754 58.161 49.983 1.00 60.91 C ATOM 1967 CD GLN B 128 3.910 59.269 50.606 1.00 63.80 C ATOM 1968 OE1 GLN B 128 3.250 60.031 49.923 1.00 66.04 O ATOM 1969 NE2 GLN B 128 3.949 59.470 51.907 1.00 64.55 N ATOM 1970 H GLN B 128 6.272 55.313 50.119 1.00 0.00 H ATOM 1971 HA GLN B 128 7.269 57.835 48.838 1.00 0.00 H ATOM 1972 HB2 GLN B 128 6.024 57.468 51.584 1.00 0.00 H ATOM 1973 HB3 GLN B 128 6.562 58.979 50.835 1.00 0.00 H ATOM 1974 HG2 GLN B 128 4.884 58.393 48.925 1.00 0.00 H ATOM 1975 HG3 GLN B 128 4.207 57.223 50.068 1.00 0.00 H ATOM 1976 HE21 GLN B 128 3.416 60.249 52.246 1.00 0.00 H ATOM 1977 HE22 GLN B 128 4.522 58.897 52.498 1.00 0.00 H ATOM 1978 N LEU B 129 9.560 57.258 49.636 1.00 46.76 N ATOM 1979 CA LEU B 129 10.945 56.925 49.993 1.00 45.51 C ATOM 1980 C LEU B 129 11.487 57.798 51.153 1.00 46.20 C ATOM 1981 O LEU B 129 11.451 59.020 51.053 1.00 47.70 O ATOM 1982 CB LEU B 129 11.768 57.093 48.696 1.00 43.90 C ATOM 1983 CG LEU B 129 13.214 56.576 48.743 1.00 42.01 C ATOM 1984 CD1 LEU B 129 13.268 55.053 48.610 1.00 43.35 C ATOM 1985 CD2 LEU B 129 14.019 57.166 47.583 1.00 39.29 C ATOM 1986 H LEU B 129 9.407 57.639 48.717 1.00 0.00 H ATOM 1987 HA LEU B 129 10.979 55.880 50.304 1.00 0.00 H ATOM 1988 HB2 LEU B 129 11.790 58.159 48.460 1.00 0.00 H ATOM 1989 HB3 LEU B 129 11.254 56.589 47.875 1.00 0.00 H ATOM 1990 HG LEU B 129 13.683 56.878 49.675 1.00 0.00 H ATOM 1991 HD11 LEU B 129 12.656 54.587 49.378 1.00 0.00 H ATOM 1992 HD12 LEU B 129 12.898 54.748 47.632 1.00 0.00 H ATOM 1993 HD13 LEU B 129 14.294 54.711 48.731 1.00 0.00 H ATOM 1994 HD21 LEU B 129 15.043 56.795 47.610 1.00 0.00 H ATOM 1995 HD22 LEU B 129 13.564 56.891 46.632 1.00 0.00 H ATOM 1996 HD23 LEU B 129 14.041 58.253 47.670 1.00 0.00 H ATOM 1997 N ASP B 130 12.113 57.184 52.166 1.00 46.21 N ATOM 1998 CA ASP B 130 13.026 57.869 53.114 1.00 47.46 C ATOM 1999 C ASP B 130 14.428 57.976 52.499 1.00 46.52 C ATOM 2000 O ASP B 130 14.987 59.064 52.381 1.00 47.14 O ATOM 2001 CB ASP B 130 13.006 57.153 54.494 1.00 53.07 C ATOM 2002 CG ASP B 130 14.291 57.204 55.364 1.00 58.12 C ATOM 2003 OD1 ASP B 130 14.135 57.097 56.603 1.00 60.88 O ATOM 2004 OD2 ASP B 130 15.356 56.777 54.861 1.00 61.90 O ATOM 2005 H ASP B 130 12.141 56.171 52.143 1.00 0.00 H ATOM 2006 HA ASP B 130 12.682 58.893 53.272 1.00 0.00 H ATOM 2007 HB2 ASP B 130 12.173 57.560 55.070 1.00 0.00 H ATOM 2008 HB3 ASP B 130 12.773 56.107 54.320 1.00 0.00 H ATOM 2009 N SER B 131 14.953 56.853 52.002 1.00 42.67 N ATOM 2010 CA SER B 131 16.248 56.786 51.332 1.00 38.63 C ATOM 2011 C SER B 131 16.405 55.471 50.572 1.00 35.62 C ATOM 2012 O SER B 131 16.076 54.396 51.080 1.00 33.07 O ATOM 2013 CB SER B 131 17.399 56.964 52.341 1.00 36.79 C ATOM 2014 OG SER B 131 17.333 56.047 53.423 1.00 37.57 O ATOM 2015 H SER B 131 14.449 55.989 52.142 1.00 0.00 H ATOM 2016 HA SER B 131 16.303 57.606 50.615 1.00 0.00 H ATOM 2017 HB2 SER B 131 18.351 56.839 51.824 1.00 0.00 H ATOM 2018 HB3 SER B 131 17.364 57.978 52.742 1.00 0.00 H ATOM 2019 HG SER B 131 16.520 56.322 53.938 1.00 0.00 H ATOM 2020 N VAL B 132 17.081 55.548 49.425 1.00 34.79 N ATOM 2021 CA VAL B 132 18.027 54.501 49.026 1.00 32.43 C ATOM 2022 C VAL B 132 19.379 54.837 49.660 1.00 31.61 C ATOM 2023 O VAL B 132 19.780 56.002 49.694 1.00 31.48 O ATOM 2024 CB VAL B 132 18.130 54.363 47.491 1.00 31.95 C ATOM 2025 CG1 VAL B 132 19.216 53.368 47.053 1.00 29.03 C ATOM 2026 CG2 VAL B 132 16.798 53.868 46.914 1.00 33.08 C ATOM 2027 H VAL B 132 17.313 56.475 49.100 1.00 0.00 H ATOM 2028 HA VAL B 132 17.691 53.545 49.420 1.00 0.00 H ATOM 2029 HB VAL B 132 18.362 55.337 47.060 1.00 0.00 H ATOM 2030 HG11 VAL B 132 20.203 53.745 47.318 1.00 0.00 H ATOM 2031 HG12 VAL B 132 19.052 52.398 47.523 1.00 0.00 H ATOM 2032 HG13 VAL B 132 19.190 53.252 45.969 1.00 0.00 H ATOM 2033 HG21 VAL B 132 16.024 54.615 47.077 1.00 0.00 H ATOM 2034 HG22 VAL B 132 16.897 53.711 45.841 1.00 0.00 H ATOM 2035 HG23 VAL B 132 16.505 52.933 47.388 1.00 0.00 H ATOM 2036 N ARG B 133 20.119 53.826 50.111 1.00 30.38 N ATOM 2037 CA ARG B 133 21.553 53.935 50.418 1.00 29.64 C ATOM 2038 C ARG B 133 22.286 52.729 49.855 1.00 29.84 C ATOM 2039 O ARG B 133 21.757 51.627 49.883 1.00 29.92 O ATOM 2040 CB ARG B 133 21.793 54.070 51.938 1.00 30.84 C ATOM 2041 CG ARG B 133 22.081 55.499 52.426 1.00 38.14 C ATOM 2042 CD ARG B 133 23.369 56.131 51.867 1.00 44.40 C ATOM 2043 NE ARG B 133 24.588 55.334 52.150 1.00 48.53 N ATOM 2044 CZ ARG B 133 25.728 55.737 52.684 1.00 48.78 C ATOM 2045 NH1 ARG B 133 25.895 56.930 53.185 1.00 45.35 N ATOM 2046 NH2 ARG B 133 26.750 54.935 52.691 1.00 50.34 N ATOM 2047 H ARG B 133 19.718 52.890 50.050 1.00 0.00 H ATOM 2048 HA ARG B 133 21.948 54.808 49.900 1.00 0.00 H ATOM 2049 HB2 ARG B 133 22.637 53.442 52.224 1.00 0.00 H ATOM 2050 HB3 ARG B 133 20.924 53.696 52.478 1.00 0.00 H ATOM 2051 HG2 ARG B 133 21.235 56.136 52.161 1.00 0.00 H ATOM 2052 HG3 ARG B 133 22.153 55.479 53.514 1.00 0.00 H ATOM 2053 HD2 ARG B 133 23.458 57.131 52.292 1.00 0.00 H ATOM 2054 HD3 ARG B 133 23.268 56.254 50.788 1.00 0.00 H ATOM 2055 HE ARG B 133 24.620 54.377 51.813 1.00 0.00 H ATOM 2056 HH11 ARG B 133 25.124 57.569 53.176 1.00 0.00 H ATOM 2057 HH12 ARG B 133 26.785 57.193 53.561 1.00 0.00 H ATOM 2058 HH21 ARG B 133 26.642 54.030 52.227 1.00 0.00 H ATOM 2059 HH22 ARG B 133 27.646 55.204 53.041 1.00 0.00 H ATOM 2060 N ILE B 134 23.555 52.924 49.523 1.00 31.18 N ATOM 2061 CA ILE B 134 24.529 51.849 49.310 1.00 31.52 C ATOM 2062 C ILE B 134 25.582 51.914 50.422 1.00 32.56 C ATOM 2063 O ILE B 134 25.842 53.002 50.952 1.00 32.55 O ATOM 2064 CB ILE B 134 25.121 51.950 47.885 1.00 32.39 C ATOM 2065 CG1 ILE B 134 23.999 51.819 46.824 1.00 33.93 C ATOM 2066 CG2 ILE B 134 26.184 50.869 47.632 1.00 33.39 C ATOM 2067 CD1 ILE B 134 23.638 53.159 46.168 1.00 36.09 C ATOM 2068 H ILE B 134 23.920 53.860 49.558 1.00 0.00 H ATOM 2069 HA ILE B 134 24.036 50.880 49.394 1.00 0.00 H ATOM 2070 HB ILE B 134 25.612 52.919 47.776 1.00 0.00 H ATOM 2071 HG12 ILE B 134 24.315 51.135 46.040 1.00 0.00 H ATOM 2072 HG13 ILE B 134 23.101 51.390 47.270 1.00 0.00 H ATOM 2073 HG21 ILE B 134 27.050 51.014 48.281 1.00 0.00 H ATOM 2074 HG22 ILE B 134 26.538 50.922 46.602 1.00 0.00 H ATOM 2075 HG23 ILE B 134 25.766 49.879 47.816 1.00 0.00 H ATOM 2076 HD11 ILE B 134 23.290 53.869 46.917 1.00 0.00 H ATOM 2077 HD12 ILE B 134 24.512 53.569 45.660 1.00 0.00 H ATOM 2078 HD13 ILE B 134 22.846 53.002 45.434 1.00 0.00 H ATOM 2079 N PHE B 135 26.124 50.764 50.807 1.00 31.65 N ATOM 2080 CA PHE B 135 27.269 50.580 51.697 1.00 31.39 C ATOM 2081 C PHE B 135 28.178 49.487 51.117 1.00 31.79 C ATOM 2082 O PHE B 135 27.601 48.538 50.533 1.00 33.65 O ATOM 2083 CB PHE B 135 26.793 50.222 53.115 1.00 29.76 C ATOM 2084 CG PHE B 135 25.832 51.203 53.766 1.00 30.56 C ATOM 2085 CD1 PHE B 135 26.324 52.250 54.567 1.00 32.18 C ATOM 2086 CD2 PHE B 135 24.442 51.038 53.615 1.00 32.37 C ATOM 2087 CE1 PHE B 135 25.433 53.128 55.213 1.00 32.25 C ATOM 2088 CE2 PHE B 135 23.549 51.908 54.267 1.00 33.76 C ATOM 2089 CZ PHE B 135 24.045 52.956 55.064 1.00 33.15 C ATOM 2090 OXT PHE B 135 29.374 49.805 50.968 1.00 35.50 O ATOM 2091 H PHE B 135 25.818 49.908 50.355 1.00 0.00 H ATOM 2092 HA PHE B 135 27.862 51.491 51.735 1.00 0.00 H ATOM 2093 HB2 PHE B 135 26.313 49.246 53.077 1.00 0.00 H ATOM 2094 HB3 PHE B 135 27.672 50.115 53.752 1.00 0.00 H ATOM 2095 HD1 PHE B 135 27.391 52.357 54.704 1.00 0.00 H ATOM 2096 HD2 PHE B 135 24.066 50.222 53.012 1.00 0.00 H ATOM 2097 HE1 PHE B 135 25.815 53.910 55.853 1.00 0.00 H ATOM 2098 HE2 PHE B 135 22.484 51.752 54.172 1.00 0.00 H ATOM 2099 HZ PHE B 135 23.359 53.608 55.587 1.00 0.00 H TER 2100 PHE B 135 END 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